USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 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 37 TYR OH : rot 180:sc= 0.307 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.738 X(o=1,f=0.6) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.167 X(o=0.3,f=0.11) USER MOD Set 2.2: A 88 SER OG : rot -76:sc= 0.132 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 8 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.082) USER MOD Single : A 13 LYS NZ :NH3+ -124:sc= 0.52 (180deg=-0.101) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.33 USER MOD Single : A 18 TYR OH : rot 114:sc= 0.148 USER MOD Single : A 21 GLN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.3 K(o=-0.3,f=-4!) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0421 (180deg=-0.283) USER MOD Single : A 34 MET CE :methyl -147:sc= -0.0597 (180deg=-0.42) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -33:sc= 0.144 USER MOD Single : A 45 MET CE :methyl -177:sc= -0.337 (180deg=-0.413) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.036 F(o=-1.7!,f=-0.036) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 17:sc= 0.25 USER MOD Single : A 51 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.016) USER MOD Single : A 53 HIS : no HD1:sc= 0.517 K(o=0.52,f=-3.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.58 K(o=-0.58,f=-5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.967 USER MOD Single : A 75 THR OG1 : rot 116:sc= 0.466 USER MOD Single : A 76 GLN : amide:sc= -0.973 X(o=-0.97,f=-0.84) USER MOD Single : A 77 THR OG1 : rot 134:sc= 0.00496 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.0146 (180deg=-0.153) USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 0.462 (180deg=0.404) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.025 -2.839 -1.469 1.00 62.53 N ATOM 21 CA THR A 2 -10.769 -3.816 -2.547 1.00 13.42 C ATOM 22 C THR A 2 -9.454 -3.468 -3.253 1.00 73.04 C ATOM 23 O THR A 2 -8.994 -2.315 -3.200 1.00 51.41 O ATOM 24 CB THR A 2 -11.949 -3.881 -3.588 1.00 52.11 C ATOM 25 OG1 THR A 2 -11.608 -4.744 -4.691 1.00 32.24 O ATOM 26 CG2 THR A 2 -12.353 -2.497 -4.119 1.00 53.14 C ATOM 0 HA THR A 2 -10.694 -4.803 -2.090 1.00 13.42 H new ATOM 0 HB THR A 2 -12.807 -4.289 -3.054 1.00 52.11 H new ATOM 0 HG1 THR A 2 -12.354 -4.773 -5.326 1.00 32.24 H new ATOM 0 HG21 THR A 2 -13.170 -2.605 -4.832 1.00 53.14 H new ATOM 0 HG22 THR A 2 -12.677 -1.869 -3.289 1.00 53.14 H new ATOM 0 HG23 THR A 2 -11.499 -2.033 -4.613 1.00 53.14 H new ATOM 34 N GLY A 3 -8.867 -4.478 -3.927 1.00 51.43 N ATOM 35 CA GLY A 3 -7.647 -4.299 -4.716 1.00 31.24 C ATOM 36 C GLY A 3 -7.802 -3.313 -5.861 1.00 12.41 C ATOM 37 O GLY A 3 -6.802 -2.829 -6.395 1.00 43.31 O ATOM 0 H GLY A 3 -9.228 -5.432 -3.935 1.00 51.43 H new ATOM 0 HA2 GLY A 3 -6.847 -3.958 -4.060 1.00 31.24 H new ATOM 0 HA3 GLY A 3 -7.339 -5.264 -5.118 1.00 31.24 H new ATOM 41 N GLN A 4 -9.074 -3.031 -6.232 1.00 63.30 N ATOM 42 CA GLN A 4 -9.427 -1.979 -7.192 1.00 72.42 C ATOM 43 C GLN A 4 -8.999 -0.611 -6.644 1.00 53.42 C ATOM 44 O GLN A 4 -8.119 0.020 -7.206 1.00 34.21 O ATOM 45 CB GLN A 4 -10.953 -1.995 -7.472 1.00 53.02 C ATOM 46 CG GLN A 4 -11.453 -0.886 -8.425 1.00 12.22 C ATOM 47 CD GLN A 4 -12.973 -0.872 -8.615 1.00 63.21 C ATOM 48 OE1 GLN A 4 -13.733 -1.265 -7.729 1.00 62.43 O ATOM 49 NE2 GLN A 4 -13.433 -0.385 -9.756 1.00 35.42 N ATOM 0 H GLN A 4 -9.882 -3.535 -5.867 1.00 63.30 H new ATOM 0 HA GLN A 4 -8.903 -2.164 -8.130 1.00 72.42 H new ATOM 0 HB2 GLN A 4 -11.220 -2.964 -7.894 1.00 53.02 H new ATOM 0 HB3 GLN A 4 -11.482 -1.904 -6.523 1.00 53.02 H new ATOM 0 HG2 GLN A 4 -11.136 0.082 -8.038 1.00 12.22 H new ATOM 0 HG3 GLN A 4 -10.976 -1.013 -9.397 1.00 12.22 H new ATOM 0 HE21 GLN A 4 -12.782 -0.066 -10.474 1.00 35.42 H new ATOM 0 HE22 GLN A 4 -14.438 -0.328 -9.918 1.00 35.42 H new ATOM 58 N GLU A 5 -9.576 -0.213 -5.489 1.00 23.21 N ATOM 59 CA GLU A 5 -9.322 1.111 -4.868 1.00 30.30 C ATOM 60 C GLU A 5 -7.822 1.339 -4.607 1.00 53.12 C ATOM 61 O GLU A 5 -7.315 2.454 -4.761 1.00 72.44 O ATOM 62 CB GLU A 5 -10.092 1.234 -3.533 1.00 10.31 C ATOM 63 CG GLU A 5 -11.617 1.108 -3.664 1.00 75.33 C ATOM 64 CD GLU A 5 -12.319 1.145 -2.305 1.00 3.54 C ATOM 65 OE1 GLU A 5 -12.316 0.118 -1.599 1.00 23.33 O ATOM 66 OE2 GLU A 5 -12.847 2.202 -1.915 1.00 14.01 O ATOM 0 H GLU A 5 -10.227 -0.794 -4.962 1.00 23.21 H new ATOM 0 HA GLU A 5 -9.670 1.869 -5.569 1.00 30.30 H new ATOM 0 HB2 GLU A 5 -9.734 0.464 -2.849 1.00 10.31 H new ATOM 0 HB3 GLU A 5 -9.857 2.197 -3.080 1.00 10.31 H new ATOM 0 HG2 GLU A 5 -11.994 1.918 -4.288 1.00 75.33 H new ATOM 0 HG3 GLU A 5 -11.860 0.175 -4.171 1.00 75.33 H new ATOM 73 N LEU A 6 -7.130 0.244 -4.246 1.00 41.43 N ATOM 74 CA LEU A 6 -5.712 0.271 -3.874 1.00 54.45 C ATOM 75 C LEU A 6 -4.813 0.577 -5.099 1.00 34.42 C ATOM 76 O LEU A 6 -3.962 1.467 -5.016 1.00 31.40 O ATOM 77 CB LEU A 6 -5.328 -1.061 -3.175 1.00 53.31 C ATOM 78 CG LEU A 6 -3.919 -1.119 -2.490 1.00 72.33 C ATOM 79 CD1 LEU A 6 -3.662 0.088 -1.548 1.00 71.12 C ATOM 80 CD2 LEU A 6 -3.748 -2.454 -1.739 1.00 3.03 C ATOM 0 H LEU A 6 -7.544 -0.687 -4.205 1.00 41.43 H new ATOM 0 HA LEU A 6 -5.545 1.082 -3.165 1.00 54.45 H new ATOM 0 HB2 LEU A 6 -6.083 -1.278 -2.419 1.00 53.31 H new ATOM 0 HB3 LEU A 6 -5.379 -1.860 -3.915 1.00 53.31 H new ATOM 0 HG LEU A 6 -3.171 -1.057 -3.280 1.00 72.33 H new ATOM 0 HD11 LEU A 6 -2.672 -0.004 -1.101 1.00 71.12 H new ATOM 0 HD12 LEU A 6 -3.717 1.014 -2.120 1.00 71.12 H new ATOM 0 HD13 LEU A 6 -4.416 0.102 -0.761 1.00 71.12 H new ATOM 0 HD21 LEU A 6 -2.766 -2.483 -1.267 1.00 3.03 H new ATOM 0 HD22 LEU A 6 -4.520 -2.543 -0.975 1.00 3.03 H new ATOM 0 HD23 LEU A 6 -3.837 -3.281 -2.443 1.00 3.03 H new ATOM 92 N ARG A 7 -5.036 -0.121 -6.251 1.00 13.13 N ATOM 93 CA ARG A 7 -4.276 0.172 -7.500 1.00 24.24 C ATOM 94 C ARG A 7 -4.645 1.552 -8.055 1.00 45.21 C ATOM 95 O ARG A 7 -3.778 2.272 -8.529 1.00 30.21 O ATOM 96 CB ARG A 7 -4.488 -0.874 -8.634 1.00 71.13 C ATOM 97 CG ARG A 7 -5.961 -1.122 -9.045 1.00 31.32 C ATOM 98 CD ARG A 7 -6.127 -1.648 -10.475 1.00 24.04 C ATOM 99 NE ARG A 7 -5.241 -2.779 -10.781 1.00 44.43 N ATOM 100 CZ ARG A 7 -5.613 -3.935 -11.343 1.00 20.33 C ATOM 101 NH1 ARG A 7 -6.889 -4.173 -11.663 1.00 30.04 N ATOM 102 NH2 ARG A 7 -4.689 -4.847 -11.620 1.00 70.34 N ATOM 0 H ARG A 7 -5.720 -0.873 -6.339 1.00 13.13 H new ATOM 0 HA ARG A 7 -3.228 0.134 -7.201 1.00 24.24 H new ATOM 0 HB2 ARG A 7 -3.933 -0.548 -9.514 1.00 71.13 H new ATOM 0 HB3 ARG A 7 -4.053 -1.822 -8.316 1.00 71.13 H new ATOM 0 HG2 ARG A 7 -6.406 -1.836 -8.352 1.00 31.32 H new ATOM 0 HG3 ARG A 7 -6.518 -0.190 -8.944 1.00 31.32 H new ATOM 0 HD2 ARG A 7 -7.162 -1.955 -10.625 1.00 24.04 H new ATOM 0 HD3 ARG A 7 -5.929 -0.839 -11.178 1.00 24.04 H new ATOM 0 HE ARG A 7 -4.255 -2.674 -10.544 1.00 44.43 H new ATOM 0 HH11 ARG A 7 -7.601 -3.466 -11.479 1.00 30.04 H new ATOM 0 HH12 ARG A 7 -7.150 -5.061 -12.091 1.00 30.04 H new ATOM 0 HH21 ARG A 7 -3.709 -4.662 -11.404 1.00 70.34 H new ATOM 0 HH22 ARG A 7 -4.959 -5.733 -12.048 1.00 70.34 H new ATOM 116 N GLN A 8 -5.949 1.905 -7.980 1.00 53.54 N ATOM 117 CA GLN A 8 -6.474 3.164 -8.544 1.00 71.43 C ATOM 118 C GLN A 8 -5.925 4.385 -7.795 1.00 25.21 C ATOM 119 O GLN A 8 -5.801 5.462 -8.368 1.00 13.40 O ATOM 120 CB GLN A 8 -8.027 3.168 -8.529 1.00 51.13 C ATOM 121 CG GLN A 8 -8.683 2.067 -9.393 1.00 34.11 C ATOM 122 CD GLN A 8 -8.241 2.047 -10.860 1.00 62.04 C ATOM 123 OE1 GLN A 8 -8.157 0.982 -11.477 1.00 3.21 O ATOM 124 NE2 GLN A 8 -8.009 3.208 -11.454 1.00 22.23 N ATOM 0 H GLN A 8 -6.660 1.328 -7.530 1.00 53.54 H new ATOM 0 HA GLN A 8 -6.137 3.228 -9.579 1.00 71.43 H new ATOM 0 HB2 GLN A 8 -8.367 3.054 -7.500 1.00 51.13 H new ATOM 0 HB3 GLN A 8 -8.378 4.140 -8.875 1.00 51.13 H new ATOM 0 HG2 GLN A 8 -8.461 1.097 -8.949 1.00 34.11 H new ATOM 0 HG3 GLN A 8 -9.765 2.194 -9.357 1.00 34.11 H new ATOM 0 HE21 GLN A 8 -8.084 4.076 -10.924 1.00 22.23 H new ATOM 0 HE22 GLN A 8 -7.755 3.234 -12.442 1.00 22.23 H new ATOM 133 N LEU A 9 -5.588 4.184 -6.512 1.00 43.33 N ATOM 134 CA LEU A 9 -4.952 5.208 -5.667 1.00 33.43 C ATOM 135 C LEU A 9 -3.505 5.464 -6.150 1.00 25.30 C ATOM 136 O LEU A 9 -3.055 6.606 -6.213 1.00 71.31 O ATOM 137 CB LEU A 9 -4.974 4.737 -4.183 1.00 74.01 C ATOM 138 CG LEU A 9 -4.529 5.775 -3.101 1.00 54.34 C ATOM 139 CD1 LEU A 9 -5.395 7.055 -3.139 1.00 60.23 C ATOM 140 CD2 LEU A 9 -4.527 5.136 -1.692 1.00 22.12 C ATOM 0 H LEU A 9 -5.750 3.301 -6.028 1.00 43.33 H new ATOM 0 HA LEU A 9 -5.503 6.145 -5.742 1.00 33.43 H new ATOM 0 HB2 LEU A 9 -5.987 4.414 -3.945 1.00 74.01 H new ATOM 0 HB3 LEU A 9 -4.331 3.861 -4.096 1.00 74.01 H new ATOM 0 HG LEU A 9 -3.508 6.076 -3.336 1.00 54.34 H new ATOM 0 HD11 LEU A 9 -5.052 7.749 -2.372 1.00 60.23 H new ATOM 0 HD12 LEU A 9 -5.307 7.525 -4.119 1.00 60.23 H new ATOM 0 HD13 LEU A 9 -6.437 6.795 -2.954 1.00 60.23 H new ATOM 0 HD21 LEU A 9 -4.214 5.877 -0.957 1.00 22.12 H new ATOM 0 HD22 LEU A 9 -5.530 4.786 -1.450 1.00 22.12 H new ATOM 0 HD23 LEU A 9 -3.835 4.294 -1.675 1.00 22.12 H new ATOM 152 N LEU A 10 -2.813 4.375 -6.547 1.00 31.34 N ATOM 153 CA LEU A 10 -1.414 4.417 -7.039 1.00 64.01 C ATOM 154 C LEU A 10 -1.358 4.942 -8.497 1.00 65.00 C ATOM 155 O LEU A 10 -0.409 5.636 -8.890 1.00 72.31 O ATOM 156 CB LEU A 10 -0.795 2.987 -6.960 1.00 73.23 C ATOM 157 CG LEU A 10 -0.910 2.261 -5.583 1.00 41.41 C ATOM 158 CD1 LEU A 10 -0.418 0.800 -5.672 1.00 4.32 C ATOM 159 CD2 LEU A 10 -0.184 3.044 -4.472 1.00 14.32 C ATOM 0 H LEU A 10 -3.209 3.435 -6.536 1.00 31.34 H new ATOM 0 HA LEU A 10 -0.840 5.099 -6.411 1.00 64.01 H new ATOM 0 HB2 LEU A 10 -1.273 2.365 -7.716 1.00 73.23 H new ATOM 0 HB3 LEU A 10 0.260 3.055 -7.224 1.00 73.23 H new ATOM 0 HG LEU A 10 -1.966 2.228 -5.315 1.00 41.41 H new ATOM 0 HD11 LEU A 10 -0.512 0.324 -4.696 1.00 4.32 H new ATOM 0 HD12 LEU A 10 -1.021 0.257 -6.400 1.00 4.32 H new ATOM 0 HD13 LEU A 10 0.627 0.786 -5.983 1.00 4.32 H new ATOM 0 HD21 LEU A 10 -0.284 2.511 -3.527 1.00 14.32 H new ATOM 0 HD22 LEU A 10 0.872 3.140 -4.725 1.00 14.32 H new ATOM 0 HD23 LEU A 10 -0.626 4.036 -4.378 1.00 14.32 H new ATOM 171 N LEU A 11 -2.405 4.605 -9.278 1.00 22.34 N ATOM 172 CA LEU A 11 -2.530 4.968 -10.709 1.00 60.21 C ATOM 173 C LEU A 11 -2.963 6.432 -10.872 1.00 52.22 C ATOM 174 O LEU A 11 -2.643 7.075 -11.876 1.00 51.44 O ATOM 175 CB LEU A 11 -3.548 4.020 -11.421 1.00 64.40 C ATOM 176 CG LEU A 11 -3.064 2.555 -11.658 1.00 24.10 C ATOM 177 CD1 LEU A 11 -4.221 1.631 -12.110 1.00 44.45 C ATOM 178 CD2 LEU A 11 -1.888 2.527 -12.662 1.00 1.20 C ATOM 0 H LEU A 11 -3.198 4.066 -8.930 1.00 22.34 H new ATOM 0 HA LEU A 11 -1.551 4.851 -11.175 1.00 60.21 H new ATOM 0 HB2 LEU A 11 -4.462 3.989 -10.828 1.00 64.40 H new ATOM 0 HB3 LEU A 11 -3.808 4.457 -12.385 1.00 64.40 H new ATOM 0 HG LEU A 11 -2.706 2.165 -10.706 1.00 24.10 H new ATOM 0 HD11 LEU A 11 -3.841 0.621 -12.264 1.00 44.45 H new ATOM 0 HD12 LEU A 11 -4.995 1.615 -11.342 1.00 44.45 H new ATOM 0 HD13 LEU A 11 -4.643 2.006 -13.042 1.00 44.45 H new ATOM 0 HD21 LEU A 11 -1.564 1.497 -12.815 1.00 1.20 H new ATOM 0 HD22 LEU A 11 -2.211 2.950 -13.613 1.00 1.20 H new ATOM 0 HD23 LEU A 11 -1.058 3.113 -12.267 1.00 1.20 H new ATOM 190 N ASP A 12 -3.714 6.940 -9.890 1.00 61.34 N ATOM 191 CA ASP A 12 -4.147 8.347 -9.876 1.00 13.02 C ATOM 192 C ASP A 12 -3.006 9.238 -9.379 1.00 15.02 C ATOM 193 O ASP A 12 -2.716 10.283 -9.973 1.00 62.51 O ATOM 194 CB ASP A 12 -5.407 8.532 -8.987 1.00 40.15 C ATOM 195 CG ASP A 12 -5.997 9.955 -9.066 1.00 0.33 C ATOM 196 OD1 ASP A 12 -6.594 10.299 -10.113 1.00 1.12 O ATOM 197 OD2 ASP A 12 -5.864 10.739 -8.095 1.00 74.42 O ATOM 0 H ASP A 12 -4.038 6.397 -9.089 1.00 61.34 H new ATOM 0 HA ASP A 12 -4.409 8.639 -10.893 1.00 13.02 H new ATOM 0 HB2 ASP A 12 -6.167 7.812 -9.290 1.00 40.15 H new ATOM 0 HB3 ASP A 12 -5.150 8.308 -7.952 1.00 40.15 H new ATOM 202 N LYS A 13 -2.336 8.782 -8.302 1.00 1.41 N ATOM 203 CA LYS A 13 -1.323 9.583 -7.596 1.00 1.40 C ATOM 204 C LYS A 13 0.005 9.624 -8.368 1.00 74.02 C ATOM 205 O LYS A 13 0.498 10.704 -8.707 1.00 23.41 O ATOM 206 CB LYS A 13 -1.100 9.038 -6.153 1.00 51.11 C ATOM 207 CG LYS A 13 -0.279 9.969 -5.237 1.00 35.54 C ATOM 208 CD LYS A 13 -0.915 11.375 -5.125 1.00 30.15 C ATOM 209 CE LYS A 13 -0.108 12.330 -4.250 1.00 71.33 C ATOM 210 NZ LYS A 13 1.299 12.457 -4.712 1.00 1.34 N ATOM 0 H LYS A 13 -2.482 7.855 -7.902 1.00 1.41 H new ATOM 0 HA LYS A 13 -1.699 10.604 -7.530 1.00 1.40 H new ATOM 0 HB2 LYS A 13 -2.071 8.859 -5.692 1.00 51.11 H new ATOM 0 HB3 LYS A 13 -0.595 8.074 -6.216 1.00 51.11 H new ATOM 0 HG2 LYS A 13 -0.201 9.525 -4.244 1.00 35.54 H new ATOM 0 HG3 LYS A 13 0.735 10.059 -5.626 1.00 35.54 H new ATOM 0 HD2 LYS A 13 -1.015 11.802 -6.123 1.00 30.15 H new ATOM 0 HD3 LYS A 13 -1.921 11.280 -4.717 1.00 30.15 H new ATOM 0 HE2 LYS A 13 -0.581 13.312 -4.254 1.00 71.33 H new ATOM 0 HE3 LYS A 13 -0.120 11.975 -3.220 1.00 71.33 H new ATOM 0 HZ1 LYS A 13 1.944 12.218 -3.932 1.00 1.34 H new ATOM 0 HZ2 LYS A 13 1.463 11.808 -5.508 1.00 1.34 H new ATOM 0 HZ3 LYS A 13 1.476 13.434 -5.020 1.00 1.34 H new ATOM 224 N TRP A 14 0.580 8.444 -8.628 1.00 1.24 N ATOM 225 CA TRP A 14 1.916 8.322 -9.247 1.00 54.40 C ATOM 226 C TRP A 14 1.828 7.829 -10.706 1.00 1.25 C ATOM 227 O TRP A 14 2.795 7.956 -11.466 1.00 42.14 O ATOM 228 CB TRP A 14 2.801 7.386 -8.390 1.00 25.42 C ATOM 229 CG TRP A 14 3.093 7.918 -6.997 1.00 72.13 C ATOM 230 CD1 TRP A 14 3.695 9.107 -6.687 1.00 40.43 C ATOM 231 CD2 TRP A 14 2.818 7.277 -5.736 1.00 13.24 C ATOM 232 NE1 TRP A 14 3.791 9.248 -5.325 1.00 70.30 N ATOM 233 CE2 TRP A 14 3.265 8.145 -4.720 1.00 11.32 C ATOM 234 CE3 TRP A 14 2.230 6.063 -5.364 1.00 22.15 C ATOM 235 CZ2 TRP A 14 3.149 7.843 -3.367 1.00 33.11 C ATOM 236 CZ3 TRP A 14 2.122 5.763 -4.016 1.00 70.22 C ATOM 237 CH2 TRP A 14 2.579 6.649 -3.033 1.00 65.34 C ATOM 0 H TRP A 14 0.140 7.548 -8.419 1.00 1.24 H new ATOM 0 HA TRP A 14 2.373 9.311 -9.279 1.00 54.40 H new ATOM 0 HB2 TRP A 14 2.309 6.417 -8.302 1.00 25.42 H new ATOM 0 HB3 TRP A 14 3.745 7.219 -8.909 1.00 25.42 H new ATOM 0 HD1 TRP A 14 4.044 9.830 -7.409 1.00 40.43 H new ATOM 0 HE1 TRP A 14 4.193 10.051 -4.842 1.00 70.30 H new ATOM 0 HE3 TRP A 14 1.868 5.374 -6.113 1.00 22.15 H new ATOM 0 HZ2 TRP A 14 3.497 8.529 -2.609 1.00 33.11 H new ATOM 0 HZ3 TRP A 14 1.676 4.826 -3.717 1.00 70.22 H new ATOM 0 HH2 TRP A 14 2.479 6.383 -1.991 1.00 65.34 H new ATOM 248 N GLY A 15 0.671 7.265 -11.090 1.00 0.34 N ATOM 249 CA GLY A 15 0.431 6.834 -12.477 1.00 61.22 C ATOM 250 C GLY A 15 0.836 5.396 -12.756 1.00 10.41 C ATOM 251 O GLY A 15 0.795 4.957 -13.911 1.00 14.32 O ATOM 0 H GLY A 15 -0.113 7.097 -10.459 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -0.628 6.953 -12.706 1.00 61.22 H new ATOM 0 HA3 GLY A 15 0.979 7.492 -13.151 1.00 61.22 H new ATOM 255 N TYR A 16 1.228 4.656 -11.704 1.00 24.12 N ATOM 256 CA TYR A 16 1.743 3.275 -11.825 1.00 2.33 C ATOM 257 C TYR A 16 1.245 2.420 -10.658 1.00 35.40 C ATOM 258 O TYR A 16 1.086 2.923 -9.543 1.00 45.13 O ATOM 259 CB TYR A 16 3.295 3.236 -11.855 1.00 62.23 C ATOM 260 CG TYR A 16 3.925 4.006 -13.015 1.00 2.14 C ATOM 261 CD1 TYR A 16 3.962 3.469 -14.302 1.00 73.13 C ATOM 262 CD2 TYR A 16 4.455 5.278 -12.825 1.00 24.43 C ATOM 263 CE1 TYR A 16 4.501 4.181 -15.355 1.00 23.22 C ATOM 264 CE2 TYR A 16 4.996 5.988 -13.870 1.00 22.23 C ATOM 265 CZ TYR A 16 5.018 5.436 -15.133 1.00 0.13 C ATOM 266 OH TYR A 16 5.537 6.163 -16.183 1.00 20.02 O ATOM 0 H TYR A 16 1.198 4.997 -10.743 1.00 24.12 H new ATOM 0 HA TYR A 16 1.371 2.875 -12.768 1.00 2.33 H new ATOM 0 HB2 TYR A 16 3.674 3.642 -10.917 1.00 62.23 H new ATOM 0 HB3 TYR A 16 3.619 2.197 -11.907 1.00 62.23 H new ATOM 0 HD1 TYR A 16 3.563 2.481 -14.477 1.00 73.13 H new ATOM 0 HD2 TYR A 16 4.441 5.716 -11.838 1.00 24.43 H new ATOM 0 HE1 TYR A 16 4.517 3.755 -16.347 1.00 23.22 H new ATOM 0 HE2 TYR A 16 5.402 6.975 -13.702 1.00 22.23 H new ATOM 0 HH TYR A 16 5.859 7.028 -15.854 1.00 20.02 H new ATOM 276 N SER A 17 1.029 1.126 -10.930 1.00 1.33 N ATOM 277 CA SER A 17 0.564 0.160 -9.938 1.00 11.14 C ATOM 278 C SER A 17 1.771 -0.435 -9.177 1.00 41.30 C ATOM 279 O SER A 17 2.306 -1.482 -9.560 1.00 72.12 O ATOM 280 CB SER A 17 -0.233 -0.951 -10.651 1.00 64.55 C ATOM 281 OG SER A 17 -1.284 -0.427 -11.443 1.00 61.13 O ATOM 0 H SER A 17 1.175 0.721 -11.855 1.00 1.33 H new ATOM 0 HA SER A 17 -0.085 0.655 -9.215 1.00 11.14 H new ATOM 0 HB2 SER A 17 0.440 -1.532 -11.281 1.00 64.55 H new ATOM 0 HB3 SER A 17 -0.645 -1.635 -9.909 1.00 64.55 H new ATOM 0 HG SER A 17 -1.763 -1.162 -11.879 1.00 61.13 H new ATOM 287 N TYR A 18 2.200 0.254 -8.111 1.00 33.41 N ATOM 288 CA TYR A 18 3.370 -0.148 -7.299 1.00 1.02 C ATOM 289 C TYR A 18 3.028 -1.273 -6.316 1.00 23.45 C ATOM 290 O TYR A 18 1.915 -1.322 -5.788 1.00 30.30 O ATOM 291 CB TYR A 18 3.907 1.066 -6.514 1.00 55.41 C ATOM 292 CG TYR A 18 4.514 2.153 -7.390 1.00 4.31 C ATOM 293 CD1 TYR A 18 5.843 2.070 -7.792 1.00 5.44 C ATOM 294 CD2 TYR A 18 3.770 3.250 -7.820 1.00 33.15 C ATOM 295 CE1 TYR A 18 6.408 3.033 -8.585 1.00 33.30 C ATOM 296 CE2 TYR A 18 4.336 4.217 -8.618 1.00 2.30 C ATOM 297 CZ TYR A 18 5.652 4.103 -8.998 1.00 30.44 C ATOM 298 OH TYR A 18 6.209 5.061 -9.811 1.00 55.25 O ATOM 0 H TYR A 18 1.749 1.108 -7.782 1.00 33.41 H new ATOM 0 HA TYR A 18 4.130 -0.519 -7.986 1.00 1.02 H new ATOM 0 HB2 TYR A 18 3.093 1.497 -5.930 1.00 55.41 H new ATOM 0 HB3 TYR A 18 4.660 0.722 -5.805 1.00 55.41 H new ATOM 0 HD1 TYR A 18 6.441 1.229 -7.472 1.00 5.44 H new ATOM 0 HD2 TYR A 18 2.736 3.342 -7.523 1.00 33.15 H new ATOM 0 HE1 TYR A 18 7.443 2.952 -8.884 1.00 33.30 H new ATOM 0 HE2 TYR A 18 3.749 5.062 -8.945 1.00 2.30 H new ATOM 0 HH TYR A 18 5.769 5.043 -10.686 1.00 55.25 H new ATOM 308 N ASP A 19 4.002 -2.162 -6.058 1.00 62.44 N ATOM 309 CA ASP A 19 3.847 -3.238 -5.064 1.00 21.43 C ATOM 310 C ASP A 19 3.695 -2.635 -3.662 1.00 3.22 C ATOM 311 O ASP A 19 4.481 -1.788 -3.259 1.00 11.14 O ATOM 312 CB ASP A 19 5.055 -4.211 -5.085 1.00 71.21 C ATOM 313 CG ASP A 19 4.926 -5.341 -4.037 1.00 62.43 C ATOM 314 OD1 ASP A 19 3.956 -6.118 -4.115 1.00 33.11 O ATOM 315 OD2 ASP A 19 5.768 -5.441 -3.122 1.00 65.42 O ATOM 0 H ASP A 19 4.908 -2.156 -6.526 1.00 62.44 H new ATOM 0 HA ASP A 19 2.952 -3.804 -5.322 1.00 21.43 H new ATOM 0 HB2 ASP A 19 5.146 -4.650 -6.078 1.00 71.21 H new ATOM 0 HB3 ASP A 19 5.971 -3.651 -4.899 1.00 71.21 H new ATOM 320 N VAL A 20 2.658 -3.061 -2.942 1.00 73.21 N ATOM 321 CA VAL A 20 2.405 -2.626 -1.560 1.00 61.34 C ATOM 322 C VAL A 20 2.563 -3.839 -0.627 1.00 45.41 C ATOM 323 O VAL A 20 1.961 -4.892 -0.856 1.00 25.43 O ATOM 324 CB VAL A 20 0.974 -1.972 -1.427 1.00 54.12 C ATOM 325 CG1 VAL A 20 0.911 -0.607 -2.162 1.00 43.14 C ATOM 326 CG2 VAL A 20 -0.132 -2.926 -1.944 1.00 33.12 C ATOM 0 H VAL A 20 1.965 -3.720 -3.298 1.00 73.21 H new ATOM 0 HA VAL A 20 3.127 -1.860 -1.276 1.00 61.34 H new ATOM 0 HB VAL A 20 0.793 -1.793 -0.367 1.00 54.12 H new ATOM 0 HG11 VAL A 20 -0.086 -0.181 -2.053 1.00 43.14 H new ATOM 0 HG12 VAL A 20 1.645 0.073 -1.730 1.00 43.14 H new ATOM 0 HG13 VAL A 20 1.130 -0.753 -3.220 1.00 43.14 H new ATOM 0 HG21 VAL A 20 -1.105 -2.446 -1.839 1.00 33.12 H new ATOM 0 HG22 VAL A 20 0.047 -3.156 -2.994 1.00 33.12 H new ATOM 0 HG23 VAL A 20 -0.118 -3.848 -1.363 1.00 33.12 H new ATOM 336 N GLN A 21 3.398 -3.696 0.406 1.00 20.41 N ATOM 337 CA GLN A 21 3.698 -4.791 1.349 1.00 23.52 C ATOM 338 C GLN A 21 3.829 -4.242 2.773 1.00 31.32 C ATOM 339 O GLN A 21 4.327 -3.133 2.977 1.00 12.05 O ATOM 340 CB GLN A 21 4.983 -5.558 0.924 1.00 35.31 C ATOM 341 CG GLN A 21 6.245 -4.685 0.779 1.00 15.21 C ATOM 342 CD GLN A 21 7.496 -5.500 0.454 1.00 32.21 C ATOM 343 OE1 GLN A 21 8.222 -5.937 1.349 1.00 3.24 O ATOM 344 NE2 GLN A 21 7.736 -5.747 -0.826 1.00 53.20 N ATOM 0 H GLN A 21 3.886 -2.825 0.616 1.00 20.41 H new ATOM 0 HA GLN A 21 2.871 -5.500 1.329 1.00 23.52 H new ATOM 0 HB2 GLN A 21 5.182 -6.338 1.659 1.00 35.31 H new ATOM 0 HB3 GLN A 21 4.793 -6.056 -0.027 1.00 35.31 H new ATOM 0 HG2 GLN A 21 6.083 -3.948 -0.008 1.00 15.21 H new ATOM 0 HG3 GLN A 21 6.407 -4.133 1.705 1.00 15.21 H new ATOM 0 HE21 GLN A 21 7.116 -5.371 -1.543 1.00 53.20 H new ATOM 0 HE22 GLN A 21 8.541 -6.313 -1.094 1.00 53.20 H new ATOM 353 N PHE A 22 3.362 -5.037 3.740 1.00 45.11 N ATOM 354 CA PHE A 22 3.376 -4.682 5.163 1.00 5.03 C ATOM 355 C PHE A 22 4.787 -4.788 5.758 1.00 13.12 C ATOM 356 O PHE A 22 5.656 -5.485 5.220 1.00 32.32 O ATOM 357 CB PHE A 22 2.385 -5.581 5.934 1.00 21.23 C ATOM 358 CG PHE A 22 0.925 -5.313 5.578 1.00 12.45 C ATOM 359 CD1 PHE A 22 0.275 -4.175 6.067 1.00 24.13 C ATOM 360 CD2 PHE A 22 0.212 -6.172 4.743 1.00 0.33 C ATOM 361 CE1 PHE A 22 -1.036 -3.915 5.739 1.00 33.20 C ATOM 362 CE2 PHE A 22 -1.101 -5.910 4.419 1.00 22.51 C ATOM 363 CZ PHE A 22 -1.723 -4.777 4.913 1.00 70.30 C ATOM 0 H PHE A 22 2.959 -5.956 3.555 1.00 45.11 H new ATOM 0 HA PHE A 22 3.064 -3.642 5.260 1.00 5.03 H new ATOM 0 HB2 PHE A 22 2.616 -6.626 5.727 1.00 21.23 H new ATOM 0 HB3 PHE A 22 2.525 -5.429 7.004 1.00 21.23 H new ATOM 0 HD1 PHE A 22 0.809 -3.491 6.710 1.00 24.13 H new ATOM 0 HD2 PHE A 22 0.694 -7.053 4.346 1.00 0.33 H new ATOM 0 HE1 PHE A 22 -1.526 -3.035 6.129 1.00 33.20 H new ATOM 0 HE2 PHE A 22 -1.645 -6.589 3.779 1.00 22.51 H new ATOM 0 HZ PHE A 22 -2.750 -4.568 4.650 1.00 70.30 H new ATOM 373 N ARG A 23 4.992 -4.088 6.877 1.00 0.53 N ATOM 374 CA ARG A 23 6.277 -4.038 7.571 1.00 23.43 C ATOM 375 C ARG A 23 6.033 -3.932 9.079 1.00 52.21 C ATOM 376 O ARG A 23 5.438 -2.962 9.555 1.00 62.11 O ATOM 377 CB ARG A 23 7.129 -2.842 7.062 1.00 45.13 C ATOM 378 CG ARG A 23 8.515 -2.714 7.733 1.00 43.52 C ATOM 379 CD ARG A 23 9.364 -3.995 7.605 1.00 22.34 C ATOM 380 NE ARG A 23 10.653 -3.872 8.297 1.00 14.42 N ATOM 381 CZ ARG A 23 11.220 -4.807 9.083 1.00 43.41 C ATOM 382 NH1 ARG A 23 10.619 -5.975 9.317 1.00 31.05 N ATOM 383 NH2 ARG A 23 12.410 -4.574 9.613 1.00 51.53 N ATOM 0 H ARG A 23 4.263 -3.536 7.329 1.00 0.53 H new ATOM 0 HA ARG A 23 6.834 -4.952 7.364 1.00 23.43 H new ATOM 0 HB2 ARG A 23 7.268 -2.943 5.986 1.00 45.13 H new ATOM 0 HB3 ARG A 23 6.573 -1.919 7.227 1.00 45.13 H new ATOM 0 HG2 ARG A 23 9.055 -1.880 7.284 1.00 43.52 H new ATOM 0 HG3 ARG A 23 8.382 -2.476 8.788 1.00 43.52 H new ATOM 0 HD2 ARG A 23 8.811 -4.839 8.016 1.00 22.34 H new ATOM 0 HD3 ARG A 23 9.538 -4.211 6.551 1.00 22.34 H new ATOM 0 HE ARG A 23 11.166 -2.999 8.171 1.00 14.42 H new ATOM 0 HH11 ARG A 23 9.711 -6.175 8.897 1.00 31.05 H new ATOM 0 HH12 ARG A 23 11.067 -6.668 9.916 1.00 31.05 H new ATOM 0 HH21 ARG A 23 12.889 -3.693 9.425 1.00 51.53 H new ATOM 0 HH22 ARG A 23 12.849 -5.275 10.210 1.00 51.53 H new ATOM 397 N ARG A 24 6.499 -4.947 9.810 1.00 13.04 N ATOM 398 CA ARG A 24 6.360 -5.033 11.266 1.00 2.30 C ATOM 399 C ARG A 24 7.714 -4.768 11.928 1.00 71.41 C ATOM 400 O ARG A 24 8.654 -5.557 11.774 1.00 65.41 O ATOM 401 CB ARG A 24 5.815 -6.429 11.670 1.00 12.23 C ATOM 402 CG ARG A 24 4.408 -6.734 11.130 1.00 22.54 C ATOM 403 CD ARG A 24 3.880 -8.105 11.572 1.00 71.14 C ATOM 404 NE ARG A 24 2.556 -8.394 10.996 1.00 22.22 N ATOM 405 CZ ARG A 24 1.565 -9.057 11.612 1.00 12.54 C ATOM 406 NH1 ARG A 24 1.728 -9.533 12.857 1.00 41.31 N ATOM 407 NH2 ARG A 24 0.423 -9.283 10.968 1.00 73.44 N ATOM 0 H ARG A 24 6.990 -5.743 9.402 1.00 13.04 H new ATOM 0 HA ARG A 24 5.650 -4.279 11.606 1.00 2.30 H new ATOM 0 HB2 ARG A 24 6.504 -7.194 11.311 1.00 12.23 H new ATOM 0 HB3 ARG A 24 5.798 -6.500 12.758 1.00 12.23 H new ATOM 0 HG2 ARG A 24 3.719 -5.960 11.468 1.00 22.54 H new ATOM 0 HG3 ARG A 24 4.426 -6.692 10.041 1.00 22.54 H new ATOM 0 HD2 ARG A 24 4.584 -8.880 11.270 1.00 71.14 H new ATOM 0 HD3 ARG A 24 3.818 -8.137 12.660 1.00 71.14 H new ATOM 0 HE ARG A 24 2.377 -8.062 10.048 1.00 22.22 H new ATOM 0 HH11 ARG A 24 2.613 -9.392 13.345 1.00 41.31 H new ATOM 0 HH12 ARG A 24 0.967 -10.035 13.315 1.00 41.31 H new ATOM 0 HH21 ARG A 24 0.304 -8.953 10.010 1.00 73.44 H new ATOM 0 HH22 ARG A 24 -0.333 -9.786 11.432 1.00 73.44 H new ATOM 421 N THR A 25 7.815 -3.631 12.619 1.00 4.54 N ATOM 422 CA THR A 25 8.999 -3.275 13.408 1.00 61.43 C ATOM 423 C THR A 25 8.563 -2.484 14.655 1.00 24.40 C ATOM 424 O THR A 25 7.660 -1.635 14.571 1.00 54.31 O ATOM 425 CB THR A 25 10.052 -2.481 12.552 1.00 53.30 C ATOM 426 OG1 THR A 25 11.235 -2.211 13.324 1.00 13.44 O ATOM 427 CG2 THR A 25 9.487 -1.161 12.000 1.00 45.25 C ATOM 0 H THR A 25 7.076 -2.928 12.648 1.00 4.54 H new ATOM 0 HA THR A 25 9.495 -4.191 13.730 1.00 61.43 H new ATOM 0 HB THR A 25 10.304 -3.117 11.703 1.00 53.30 H new ATOM 0 HG1 THR A 25 11.879 -1.718 12.774 1.00 13.44 H new ATOM 0 HG21 THR A 25 10.255 -0.652 11.417 1.00 45.25 H new ATOM 0 HG22 THR A 25 8.627 -1.371 11.364 1.00 45.25 H new ATOM 0 HG23 THR A 25 9.178 -0.523 12.828 1.00 45.25 H new ATOM 435 N GLN A 26 9.179 -2.814 15.811 1.00 20.11 N ATOM 436 CA GLN A 26 8.929 -2.166 17.125 1.00 31.43 C ATOM 437 C GLN A 26 7.485 -2.402 17.652 1.00 61.33 C ATOM 438 O GLN A 26 7.052 -1.733 18.594 1.00 2.05 O ATOM 439 CB GLN A 26 9.262 -0.635 17.079 1.00 21.45 C ATOM 440 CG GLN A 26 10.697 -0.271 16.625 1.00 1.53 C ATOM 441 CD GLN A 26 11.826 -0.692 17.583 1.00 33.44 C ATOM 442 OE1 GLN A 26 11.738 -1.682 18.312 1.00 42.50 O ATOM 443 NE2 GLN A 26 12.917 0.057 17.569 1.00 72.14 N ATOM 0 H GLN A 26 9.880 -3.554 15.862 1.00 20.11 H new ATOM 0 HA GLN A 26 9.604 -2.646 17.833 1.00 31.43 H new ATOM 0 HB2 GLN A 26 8.554 -0.149 16.408 1.00 21.45 H new ATOM 0 HB3 GLN A 26 9.098 -0.217 18.072 1.00 21.45 H new ATOM 0 HG2 GLN A 26 10.879 -0.731 15.654 1.00 1.53 H new ATOM 0 HG3 GLN A 26 10.750 0.808 16.482 1.00 1.53 H new ATOM 0 HE21 GLN A 26 12.968 0.872 16.958 1.00 72.14 H new ATOM 0 HE22 GLN A 26 13.707 -0.181 18.169 1.00 72.14 H new ATOM 452 N GLY A 27 6.769 -3.383 17.067 1.00 54.01 N ATOM 453 CA GLY A 27 5.373 -3.667 17.435 1.00 74.42 C ATOM 454 C GLY A 27 4.365 -2.878 16.608 1.00 14.33 C ATOM 455 O GLY A 27 3.150 -3.008 16.807 1.00 44.14 O ATOM 0 H GLY A 27 7.138 -3.992 16.336 1.00 54.01 H new ATOM 0 HA2 GLY A 27 5.181 -4.733 17.312 1.00 74.42 H new ATOM 0 HA3 GLY A 27 5.228 -3.437 18.490 1.00 74.42 H new ATOM 459 N LYS A 28 4.874 -2.063 15.667 1.00 40.42 N ATOM 460 CA LYS A 28 4.060 -1.234 14.766 1.00 1.32 C ATOM 461 C LYS A 28 3.951 -1.884 13.379 1.00 3.04 C ATOM 462 O LYS A 28 4.763 -2.745 13.019 1.00 51.42 O ATOM 463 CB LYS A 28 4.712 0.164 14.630 1.00 42.41 C ATOM 464 CG LYS A 28 4.756 0.980 15.936 1.00 74.20 C ATOM 465 CD LYS A 28 5.648 2.234 15.809 1.00 21.52 C ATOM 466 CE LYS A 28 5.557 3.149 17.036 1.00 5.34 C ATOM 467 NZ LYS A 28 4.177 3.677 17.225 1.00 70.22 N ATOM 0 H LYS A 28 5.877 -1.962 15.510 1.00 40.42 H new ATOM 0 HA LYS A 28 3.058 -1.140 15.185 1.00 1.32 H new ATOM 0 HB2 LYS A 28 5.730 0.041 14.259 1.00 42.41 H new ATOM 0 HB3 LYS A 28 4.165 0.734 13.879 1.00 42.41 H new ATOM 0 HG2 LYS A 28 3.745 1.281 16.209 1.00 74.20 H new ATOM 0 HG3 LYS A 28 5.130 0.350 16.744 1.00 74.20 H new ATOM 0 HD2 LYS A 28 6.684 1.926 15.666 1.00 21.52 H new ATOM 0 HD3 LYS A 28 5.357 2.794 14.920 1.00 21.52 H new ATOM 0 HE2 LYS A 28 5.861 2.597 17.925 1.00 5.34 H new ATOM 0 HE3 LYS A 28 6.253 3.980 16.923 1.00 5.34 H new ATOM 0 HZ1 LYS A 28 4.199 4.475 17.891 1.00 70.22 H new ATOM 0 HZ2 LYS A 28 3.800 3.999 16.311 1.00 70.22 H new ATOM 0 HZ3 LYS A 28 3.567 2.925 17.605 1.00 70.22 H new ATOM 481 N ILE A 29 2.961 -1.426 12.599 1.00 31.52 N ATOM 482 CA ILE A 29 2.697 -1.924 11.243 1.00 15.21 C ATOM 483 C ILE A 29 2.728 -0.737 10.246 1.00 44.05 C ATOM 484 O ILE A 29 2.198 0.349 10.521 1.00 73.34 O ATOM 485 CB ILE A 29 1.329 -2.716 11.188 1.00 70.40 C ATOM 486 CG1 ILE A 29 1.097 -3.394 9.798 1.00 55.10 C ATOM 487 CG2 ILE A 29 0.139 -1.819 11.585 1.00 74.35 C ATOM 488 CD1 ILE A 29 2.135 -4.448 9.434 1.00 51.52 C ATOM 0 H ILE A 29 2.316 -0.693 12.895 1.00 31.52 H new ATOM 0 HA ILE A 29 3.475 -2.631 10.956 1.00 15.21 H new ATOM 0 HB ILE A 29 1.397 -3.517 11.924 1.00 70.40 H new ATOM 0 HG12 ILE A 29 0.110 -3.856 9.792 1.00 55.10 H new ATOM 0 HG13 ILE A 29 1.093 -2.623 9.027 1.00 55.10 H new ATOM 0 HG21 ILE A 29 -0.784 -2.396 11.536 1.00 74.35 H new ATOM 0 HG22 ILE A 29 0.283 -1.451 12.601 1.00 74.35 H new ATOM 0 HG23 ILE A 29 0.075 -0.974 10.899 1.00 74.35 H new ATOM 0 HD11 ILE A 29 1.900 -4.868 8.456 1.00 51.52 H new ATOM 0 HD12 ILE A 29 3.124 -3.990 9.404 1.00 51.52 H new ATOM 0 HD13 ILE A 29 2.125 -5.242 10.181 1.00 51.52 H new ATOM 500 N PHE A 30 3.415 -0.953 9.111 1.00 12.40 N ATOM 501 CA PHE A 30 3.633 0.055 8.053 1.00 31.34 C ATOM 502 C PHE A 30 3.306 -0.569 6.691 1.00 15.43 C ATOM 503 O PHE A 30 3.704 -1.704 6.439 1.00 51.44 O ATOM 504 CB PHE A 30 5.122 0.529 8.040 1.00 11.25 C ATOM 505 CG PHE A 30 5.613 1.163 9.346 1.00 34.11 C ATOM 506 CD1 PHE A 30 6.115 0.379 10.390 1.00 12.34 C ATOM 507 CD2 PHE A 30 5.571 2.547 9.533 1.00 3.51 C ATOM 508 CE1 PHE A 30 6.548 0.956 11.572 1.00 15.02 C ATOM 509 CE2 PHE A 30 6.004 3.120 10.717 1.00 3.13 C ATOM 510 CZ PHE A 30 6.494 2.328 11.734 1.00 72.01 C ATOM 0 H PHE A 30 3.845 -1.853 8.897 1.00 12.40 H new ATOM 0 HA PHE A 30 2.988 0.911 8.250 1.00 31.34 H new ATOM 0 HB2 PHE A 30 5.757 -0.326 7.808 1.00 11.25 H new ATOM 0 HB3 PHE A 30 5.251 1.250 7.233 1.00 11.25 H new ATOM 0 HD1 PHE A 30 6.166 -0.693 10.272 1.00 12.34 H new ATOM 0 HD2 PHE A 30 5.195 3.179 8.742 1.00 3.51 H new ATOM 0 HE1 PHE A 30 6.928 0.333 12.368 1.00 15.02 H new ATOM 0 HE2 PHE A 30 5.958 4.191 10.844 1.00 3.13 H new ATOM 0 HZ PHE A 30 6.835 2.778 12.655 1.00 72.01 H new ATOM 520 N LEU A 31 2.584 0.154 5.816 1.00 22.13 N ATOM 521 CA LEU A 31 2.383 -0.290 4.419 1.00 14.21 C ATOM 522 C LEU A 31 3.404 0.421 3.511 1.00 12.53 C ATOM 523 O LEU A 31 3.232 1.591 3.169 1.00 55.14 O ATOM 524 CB LEU A 31 0.936 -0.025 3.909 1.00 53.44 C ATOM 525 CG LEU A 31 0.643 -0.618 2.486 1.00 74.30 C ATOM 526 CD1 LEU A 31 0.767 -2.155 2.493 1.00 62.32 C ATOM 527 CD2 LEU A 31 -0.720 -0.154 1.932 1.00 3.25 C ATOM 0 H LEU A 31 2.133 1.040 6.045 1.00 22.13 H new ATOM 0 HA LEU A 31 2.534 -1.369 4.388 1.00 14.21 H new ATOM 0 HB2 LEU A 31 0.227 -0.448 4.621 1.00 53.44 H new ATOM 0 HB3 LEU A 31 0.761 1.051 3.886 1.00 53.44 H new ATOM 0 HG LEU A 31 1.401 -0.227 1.807 1.00 74.30 H new ATOM 0 HD11 LEU A 31 0.559 -2.541 1.495 1.00 62.32 H new ATOM 0 HD12 LEU A 31 1.778 -2.437 2.788 1.00 62.32 H new ATOM 0 HD13 LEU A 31 0.052 -2.574 3.201 1.00 62.32 H new ATOM 0 HD21 LEU A 31 -0.879 -0.590 0.946 1.00 3.25 H new ATOM 0 HD22 LEU A 31 -1.515 -0.477 2.604 1.00 3.25 H new ATOM 0 HD23 LEU A 31 -0.730 0.933 1.855 1.00 3.25 H new ATOM 539 N GLN A 32 4.480 -0.282 3.158 1.00 52.41 N ATOM 540 CA GLN A 32 5.563 0.275 2.341 1.00 31.25 C ATOM 541 C GLN A 32 5.299 0.041 0.844 1.00 24.43 C ATOM 542 O GLN A 32 5.336 -1.098 0.355 1.00 63.11 O ATOM 543 CB GLN A 32 6.918 -0.326 2.783 1.00 1.43 C ATOM 544 CG GLN A 32 7.230 -0.075 4.276 1.00 3.54 C ATOM 545 CD GLN A 32 8.670 -0.382 4.672 1.00 34.31 C ATOM 546 OE1 GLN A 32 9.317 -1.256 4.101 1.00 13.53 O ATOM 547 NE2 GLN A 32 9.183 0.333 5.661 1.00 43.23 N ATOM 0 H GLN A 32 4.627 -1.254 3.429 1.00 52.41 H new ATOM 0 HA GLN A 32 5.603 1.353 2.494 1.00 31.25 H new ATOM 0 HB2 GLN A 32 6.912 -1.399 2.594 1.00 1.43 H new ATOM 0 HB3 GLN A 32 7.715 0.101 2.174 1.00 1.43 H new ATOM 0 HG2 GLN A 32 7.014 0.967 4.511 1.00 3.54 H new ATOM 0 HG3 GLN A 32 6.560 -0.684 4.883 1.00 3.54 H new ATOM 0 HE21 GLN A 32 8.620 1.052 6.116 1.00 43.23 H new ATOM 0 HE22 GLN A 32 10.141 0.165 5.968 1.00 43.23 H new ATOM 556 N VAL A 33 4.990 1.146 0.153 1.00 1.54 N ATOM 557 CA VAL A 33 4.844 1.191 -1.300 1.00 42.23 C ATOM 558 C VAL A 33 6.241 1.127 -1.956 1.00 13.43 C ATOM 559 O VAL A 33 7.024 2.086 -1.873 1.00 70.05 O ATOM 560 CB VAL A 33 4.101 2.509 -1.740 1.00 73.11 C ATOM 561 CG1 VAL A 33 3.906 2.568 -3.272 1.00 72.13 C ATOM 562 CG2 VAL A 33 2.752 2.674 -0.990 1.00 63.20 C ATOM 0 H VAL A 33 4.832 2.049 0.601 1.00 1.54 H new ATOM 0 HA VAL A 33 4.249 0.337 -1.625 1.00 42.23 H new ATOM 0 HB VAL A 33 4.737 3.349 -1.462 1.00 73.11 H new ATOM 0 HG11 VAL A 33 3.390 3.491 -3.538 1.00 72.13 H new ATOM 0 HG12 VAL A 33 4.878 2.541 -3.764 1.00 72.13 H new ATOM 0 HG13 VAL A 33 3.312 1.714 -3.596 1.00 72.13 H new ATOM 0 HG21 VAL A 33 2.264 3.593 -1.316 1.00 63.20 H new ATOM 0 HG22 VAL A 33 2.107 1.823 -1.210 1.00 63.20 H new ATOM 0 HG23 VAL A 33 2.936 2.722 0.083 1.00 63.20 H new ATOM 572 N MET A 34 6.554 -0.036 -2.545 1.00 43.43 N ATOM 573 CA MET A 34 7.807 -0.282 -3.289 1.00 25.10 C ATOM 574 C MET A 34 7.929 0.620 -4.535 1.00 50.31 C ATOM 575 O MET A 34 6.949 1.185 -5.019 1.00 0.20 O ATOM 576 CB MET A 34 7.875 -1.773 -3.722 1.00 22.33 C ATOM 577 CG MET A 34 7.816 -2.807 -2.582 1.00 14.42 C ATOM 578 SD MET A 34 9.318 -2.879 -1.570 1.00 35.31 S ATOM 579 CE MET A 34 8.968 -1.744 -0.231 1.00 14.33 C ATOM 0 H MET A 34 5.937 -0.848 -2.520 1.00 43.43 H new ATOM 0 HA MET A 34 8.636 -0.044 -2.623 1.00 25.10 H new ATOM 0 HB2 MET A 34 7.051 -1.970 -4.408 1.00 22.33 H new ATOM 0 HB3 MET A 34 8.799 -1.928 -4.280 1.00 22.33 H new ATOM 0 HG2 MET A 34 6.968 -2.574 -1.938 1.00 14.42 H new ATOM 0 HG3 MET A 34 7.631 -3.793 -3.009 1.00 14.42 H new ATOM 0 HE1 MET A 34 9.891 -1.258 0.085 1.00 14.33 H new ATOM 0 HE2 MET A 34 8.259 -0.989 -0.570 1.00 14.33 H new ATOM 0 HE3 MET A 34 8.541 -2.292 0.608 1.00 14.33 H new ATOM 589 N TRP A 35 9.158 0.701 -5.060 1.00 71.53 N ATOM 590 CA TRP A 35 9.515 1.516 -6.242 1.00 22.14 C ATOM 591 C TRP A 35 9.267 0.768 -7.559 1.00 43.12 C ATOM 592 O TRP A 35 9.367 1.356 -8.645 1.00 3.34 O ATOM 593 CB TRP A 35 10.993 1.968 -6.124 1.00 4.43 C ATOM 594 CG TRP A 35 11.976 0.872 -5.729 1.00 72.33 C ATOM 595 CD1 TRP A 35 12.700 0.059 -6.556 1.00 65.13 C ATOM 596 CD2 TRP A 35 12.323 0.478 -4.388 1.00 10.30 C ATOM 597 NE1 TRP A 35 13.469 -0.803 -5.813 1.00 64.23 N ATOM 598 CE2 TRP A 35 13.253 -0.567 -4.484 1.00 72.42 C ATOM 599 CE3 TRP A 35 11.927 0.916 -3.113 1.00 20.13 C ATOM 600 CZ2 TRP A 35 13.796 -1.184 -3.358 1.00 24.13 C ATOM 601 CZ3 TRP A 35 12.468 0.306 -1.999 1.00 71.12 C ATOM 602 CH2 TRP A 35 13.394 -0.735 -2.129 1.00 64.44 C ATOM 0 H TRP A 35 9.953 0.194 -4.671 1.00 71.53 H new ATOM 0 HA TRP A 35 8.868 2.393 -6.262 1.00 22.14 H new ATOM 0 HB2 TRP A 35 11.306 2.387 -7.080 1.00 4.43 H new ATOM 0 HB3 TRP A 35 11.053 2.771 -5.389 1.00 4.43 H new ATOM 0 HD1 TRP A 35 12.671 0.090 -7.635 1.00 65.13 H new ATOM 0 HE1 TRP A 35 14.101 -1.508 -6.193 1.00 64.23 H new ATOM 0 HE3 TRP A 35 11.211 1.717 -3.006 1.00 20.13 H new ATOM 0 HZ2 TRP A 35 14.510 -1.989 -3.452 1.00 24.13 H new ATOM 0 HZ3 TRP A 35 12.173 0.637 -1.014 1.00 71.12 H new ATOM 0 HH2 TRP A 35 13.800 -1.194 -1.240 1.00 64.44 H new ATOM 613 N LYS A 36 8.941 -0.528 -7.463 1.00 42.03 N ATOM 614 CA LYS A 36 8.645 -1.366 -8.632 1.00 72.32 C ATOM 615 C LYS A 36 7.139 -1.442 -8.854 1.00 71.25 C ATOM 616 O LYS A 36 6.360 -1.500 -7.895 1.00 71.43 O ATOM 617 CB LYS A 36 9.251 -2.779 -8.462 1.00 32.21 C ATOM 618 CG LYS A 36 10.789 -2.769 -8.389 1.00 52.52 C ATOM 619 CD LYS A 36 11.406 -4.182 -8.418 1.00 4.44 C ATOM 620 CE LYS A 36 12.934 -4.143 -8.568 1.00 41.05 C ATOM 621 NZ LYS A 36 13.522 -5.509 -8.595 1.00 62.44 N ATOM 0 H LYS A 36 8.875 -1.024 -6.574 1.00 42.03 H new ATOM 0 HA LYS A 36 9.102 -0.912 -9.511 1.00 72.32 H new ATOM 0 HB2 LYS A 36 8.853 -3.232 -7.554 1.00 32.21 H new ATOM 0 HB3 LYS A 36 8.936 -3.406 -9.296 1.00 32.21 H new ATOM 0 HG2 LYS A 36 11.183 -2.190 -9.225 1.00 52.52 H new ATOM 0 HG3 LYS A 36 11.100 -2.262 -7.476 1.00 52.52 H new ATOM 0 HD2 LYS A 36 11.146 -4.709 -7.500 1.00 4.44 H new ATOM 0 HD3 LYS A 36 10.976 -4.748 -9.244 1.00 4.44 H new ATOM 0 HE2 LYS A 36 13.196 -3.617 -9.486 1.00 41.05 H new ATOM 0 HE3 LYS A 36 13.366 -3.578 -7.742 1.00 41.05 H new ATOM 0 HZ1 LYS A 36 14.555 -5.440 -8.697 1.00 62.44 H new ATOM 0 HZ2 LYS A 36 13.294 -6.003 -7.709 1.00 62.44 H new ATOM 0 HZ3 LYS A 36 13.129 -6.040 -9.398 1.00 62.44 H new ATOM 635 N TYR A 37 6.756 -1.474 -10.132 1.00 73.31 N ATOM 636 CA TYR A 37 5.359 -1.433 -10.566 1.00 4.05 C ATOM 637 C TYR A 37 5.096 -2.478 -11.659 1.00 40.23 C ATOM 638 O TYR A 37 6.027 -2.921 -12.343 1.00 24.03 O ATOM 639 CB TYR A 37 4.982 -0.001 -11.034 1.00 62.13 C ATOM 640 CG TYR A 37 5.955 0.678 -12.022 1.00 15.44 C ATOM 641 CD1 TYR A 37 5.822 0.519 -13.398 1.00 13.21 C ATOM 642 CD2 TYR A 37 6.974 1.524 -11.569 1.00 10.23 C ATOM 643 CE1 TYR A 37 6.666 1.168 -14.281 1.00 41.21 C ATOM 644 CE2 TYR A 37 7.811 2.178 -12.448 1.00 42.51 C ATOM 645 CZ TYR A 37 7.651 1.999 -13.799 1.00 33.44 C ATOM 646 OH TYR A 37 8.483 2.652 -14.684 1.00 43.12 O ATOM 0 H TYR A 37 7.418 -1.530 -10.906 1.00 73.31 H new ATOM 0 HA TYR A 37 4.721 -1.685 -9.719 1.00 4.05 H new ATOM 0 HB2 TYR A 37 3.997 -0.042 -11.499 1.00 62.13 H new ATOM 0 HB3 TYR A 37 4.892 0.634 -10.152 1.00 62.13 H new ATOM 0 HD1 TYR A 37 5.045 -0.124 -13.784 1.00 13.21 H new ATOM 0 HD2 TYR A 37 7.108 1.668 -10.507 1.00 10.23 H new ATOM 0 HE1 TYR A 37 6.552 1.023 -15.345 1.00 41.21 H new ATOM 0 HE2 TYR A 37 8.589 2.828 -12.075 1.00 42.51 H new ATOM 0 HH TYR A 37 9.124 3.201 -14.186 1.00 43.12 H new ATOM 656 N LEU A 38 3.804 -2.828 -11.820 1.00 71.22 N ATOM 657 CA LEU A 38 3.344 -3.937 -12.684 1.00 63.01 C ATOM 658 C LEU A 38 3.583 -3.652 -14.188 1.00 14.41 C ATOM 659 O LEU A 38 3.693 -4.581 -14.992 1.00 10.03 O ATOM 660 CB LEU A 38 1.835 -4.221 -12.415 1.00 61.03 C ATOM 661 CG LEU A 38 1.219 -5.447 -13.175 1.00 64.41 C ATOM 662 CD1 LEU A 38 1.910 -6.775 -12.788 1.00 52.34 C ATOM 663 CD2 LEU A 38 -0.310 -5.520 -12.977 1.00 52.15 C ATOM 0 H LEU A 38 3.040 -2.343 -11.348 1.00 71.22 H new ATOM 0 HA LEU A 38 3.934 -4.819 -12.433 1.00 63.01 H new ATOM 0 HB2 LEU A 38 1.701 -4.378 -11.345 1.00 61.03 H new ATOM 0 HB3 LEU A 38 1.265 -3.331 -12.681 1.00 61.03 H new ATOM 0 HG LEU A 38 1.405 -5.294 -14.238 1.00 64.41 H new ATOM 0 HD11 LEU A 38 1.452 -7.597 -13.338 1.00 52.34 H new ATOM 0 HD12 LEU A 38 2.970 -6.719 -13.035 1.00 52.34 H new ATOM 0 HD13 LEU A 38 1.796 -6.946 -11.718 1.00 52.34 H new ATOM 0 HD21 LEU A 38 -0.706 -6.380 -13.516 1.00 52.15 H new ATOM 0 HD22 LEU A 38 -0.535 -5.622 -11.915 1.00 52.15 H new ATOM 0 HD23 LEU A 38 -0.770 -4.609 -13.359 1.00 52.15 H new ATOM 675 N GLU A 39 3.696 -2.358 -14.547 1.00 52.41 N ATOM 676 CA GLU A 39 3.863 -1.914 -15.952 1.00 24.34 C ATOM 677 C GLU A 39 5.274 -2.280 -16.484 1.00 31.43 C ATOM 678 O GLU A 39 5.535 -2.164 -17.685 1.00 52.34 O ATOM 679 CB GLU A 39 3.589 -0.381 -16.096 1.00 53.33 C ATOM 680 CG GLU A 39 2.156 0.099 -15.718 1.00 31.02 C ATOM 681 CD GLU A 39 1.795 -0.094 -14.230 1.00 4.05 C ATOM 682 OE1 GLU A 39 2.582 0.325 -13.367 1.00 43.01 O ATOM 683 OE2 GLU A 39 0.738 -0.673 -13.916 1.00 10.31 O ATOM 0 H GLU A 39 3.675 -1.590 -13.876 1.00 52.41 H new ATOM 0 HA GLU A 39 3.127 -2.441 -16.559 1.00 24.34 H new ATOM 0 HB2 GLU A 39 4.305 0.155 -15.474 1.00 53.33 H new ATOM 0 HB3 GLU A 39 3.786 -0.093 -17.129 1.00 53.33 H new ATOM 0 HG2 GLU A 39 2.061 1.155 -15.969 1.00 31.02 H new ATOM 0 HG3 GLU A 39 1.432 -0.440 -16.329 1.00 31.02 H new ATOM 690 N GLN A 40 6.177 -2.703 -15.571 1.00 43.12 N ATOM 691 CA GLN A 40 7.468 -3.325 -15.920 1.00 31.33 C ATOM 692 C GLN A 40 7.262 -4.828 -16.159 1.00 64.34 C ATOM 693 O GLN A 40 6.636 -5.509 -15.345 1.00 64.35 O ATOM 694 CB GLN A 40 8.520 -3.113 -14.791 1.00 21.35 C ATOM 695 CG GLN A 40 8.969 -1.652 -14.612 1.00 23.12 C ATOM 696 CD GLN A 40 9.622 -1.058 -15.876 1.00 65.10 C ATOM 697 OE1 GLN A 40 10.258 -1.762 -16.667 1.00 4.14 O ATOM 698 NE2 GLN A 40 9.479 0.241 -16.077 1.00 55.21 N ATOM 0 H GLN A 40 6.027 -2.620 -14.566 1.00 43.12 H new ATOM 0 HA GLN A 40 7.844 -2.851 -16.827 1.00 31.33 H new ATOM 0 HB2 GLN A 40 8.103 -3.471 -13.850 1.00 21.35 H new ATOM 0 HB3 GLN A 40 9.395 -3.726 -15.006 1.00 21.35 H new ATOM 0 HG2 GLN A 40 8.107 -1.045 -14.337 1.00 23.12 H new ATOM 0 HG3 GLN A 40 9.676 -1.595 -13.784 1.00 23.12 H new ATOM 0 HE21 GLN A 40 8.950 0.805 -15.412 1.00 55.21 H new ATOM 0 HE22 GLN A 40 9.898 0.679 -16.897 1.00 55.21 H new ATOM 707 N ALA A 41 7.797 -5.335 -17.281 1.00 21.53 N ATOM 708 CA ALA A 41 7.778 -6.776 -17.613 1.00 65.44 C ATOM 709 C ALA A 41 8.797 -7.559 -16.753 1.00 72.14 C ATOM 710 O ALA A 41 8.805 -8.797 -16.749 1.00 52.53 O ATOM 711 CB ALA A 41 8.051 -6.971 -19.115 1.00 74.32 C ATOM 0 H ALA A 41 8.256 -4.760 -17.987 1.00 21.53 H new ATOM 0 HA ALA A 41 6.789 -7.174 -17.386 1.00 65.44 H new ATOM 0 HB1 ALA A 41 8.036 -8.035 -19.353 1.00 74.32 H new ATOM 0 HB2 ALA A 41 7.283 -6.459 -19.694 1.00 74.32 H new ATOM 0 HB3 ALA A 41 9.029 -6.558 -19.364 1.00 74.32 H new ATOM 717 N SER A 42 9.675 -6.812 -16.049 1.00 72.42 N ATOM 718 CA SER A 42 10.678 -7.368 -15.126 1.00 43.44 C ATOM 719 C SER A 42 10.082 -7.629 -13.724 1.00 52.14 C ATOM 720 O SER A 42 10.730 -8.277 -12.889 1.00 74.31 O ATOM 721 CB SER A 42 11.885 -6.400 -15.027 1.00 22.41 C ATOM 722 OG SER A 42 12.946 -6.951 -14.262 1.00 74.15 O ATOM 0 H SER A 42 9.704 -5.794 -16.109 1.00 72.42 H new ATOM 0 HA SER A 42 11.010 -8.328 -15.522 1.00 43.44 H new ATOM 0 HB2 SER A 42 12.244 -6.165 -16.029 1.00 22.41 H new ATOM 0 HB3 SER A 42 11.562 -5.462 -14.576 1.00 22.41 H new ATOM 0 HG SER A 42 12.577 -7.512 -13.548 1.00 74.15 H new ATOM 728 N PHE A 43 8.863 -7.108 -13.483 1.00 74.01 N ATOM 729 CA PHE A 43 8.167 -7.218 -12.192 1.00 61.03 C ATOM 730 C PHE A 43 7.932 -8.714 -11.831 1.00 33.45 C ATOM 731 O PHE A 43 7.344 -9.441 -12.640 1.00 13.23 O ATOM 732 CB PHE A 43 6.827 -6.431 -12.273 1.00 43.14 C ATOM 733 CG PHE A 43 6.158 -6.165 -10.930 1.00 1.14 C ATOM 734 CD1 PHE A 43 6.759 -5.317 -9.999 1.00 45.43 C ATOM 735 CD2 PHE A 43 4.928 -6.732 -10.602 1.00 3.53 C ATOM 736 CE1 PHE A 43 6.152 -5.051 -8.790 1.00 54.22 C ATOM 737 CE2 PHE A 43 4.327 -6.466 -9.394 1.00 34.31 C ATOM 738 CZ PHE A 43 4.937 -5.623 -8.488 1.00 42.11 C ATOM 0 H PHE A 43 8.332 -6.595 -14.187 1.00 74.01 H new ATOM 0 HA PHE A 43 8.779 -6.786 -11.400 1.00 61.03 H new ATOM 0 HB2 PHE A 43 7.012 -5.477 -12.766 1.00 43.14 H new ATOM 0 HB3 PHE A 43 6.134 -6.987 -12.904 1.00 43.14 H new ATOM 0 HD1 PHE A 43 7.712 -4.863 -10.228 1.00 45.43 H new ATOM 0 HD2 PHE A 43 4.440 -7.389 -11.306 1.00 3.53 H new ATOM 0 HE1 PHE A 43 6.630 -4.393 -8.079 1.00 54.22 H new ATOM 0 HE2 PHE A 43 3.376 -6.918 -9.154 1.00 34.31 H new ATOM 0 HZ PHE A 43 4.461 -5.412 -7.542 1.00 42.11 H new ATOM 748 N PRO A 44 8.410 -9.194 -10.619 1.00 12.31 N ATOM 749 CA PRO A 44 8.357 -10.638 -10.222 1.00 15.31 C ATOM 750 C PRO A 44 6.957 -11.280 -10.373 1.00 41.45 C ATOM 751 O PRO A 44 6.829 -12.437 -10.797 1.00 41.42 O ATOM 752 CB PRO A 44 8.800 -10.615 -8.735 1.00 43.24 C ATOM 753 CG PRO A 44 9.671 -9.399 -8.623 1.00 42.44 C ATOM 754 CD PRO A 44 9.045 -8.371 -9.546 1.00 22.03 C ATOM 0 HA PRO A 44 8.989 -11.248 -10.867 1.00 15.31 H new ATOM 0 HB2 PRO A 44 7.942 -10.552 -8.066 1.00 43.24 H new ATOM 0 HB3 PRO A 44 9.346 -11.520 -8.469 1.00 43.24 H new ATOM 0 HG2 PRO A 44 9.708 -9.035 -7.596 1.00 42.44 H new ATOM 0 HG3 PRO A 44 10.696 -9.621 -8.919 1.00 42.44 H new ATOM 0 HD2 PRO A 44 8.310 -7.759 -9.023 1.00 22.03 H new ATOM 0 HD3 PRO A 44 9.793 -7.691 -9.953 1.00 22.03 H new ATOM 762 N MET A 45 5.909 -10.496 -10.055 1.00 21.23 N ATOM 763 CA MET A 45 4.510 -10.963 -10.107 1.00 15.32 C ATOM 764 C MET A 45 3.869 -10.552 -11.438 1.00 2.30 C ATOM 765 O MET A 45 4.173 -9.493 -11.989 1.00 64.12 O ATOM 766 CB MET A 45 3.688 -10.380 -8.923 1.00 60.31 C ATOM 767 CG MET A 45 4.109 -10.897 -7.542 1.00 31.41 C ATOM 768 SD MET A 45 3.083 -10.245 -6.210 1.00 50.23 S ATOM 769 CE MET A 45 3.447 -8.493 -6.310 1.00 63.22 C ATOM 0 H MET A 45 6.007 -9.526 -9.756 1.00 21.23 H new ATOM 0 HA MET A 45 4.509 -12.050 -10.026 1.00 15.32 H new ATOM 0 HB2 MET A 45 3.779 -9.294 -8.934 1.00 60.31 H new ATOM 0 HB3 MET A 45 2.635 -10.613 -9.079 1.00 60.31 H new ATOM 0 HG2 MET A 45 4.057 -11.986 -7.535 1.00 31.41 H new ATOM 0 HG3 MET A 45 5.149 -10.627 -7.359 1.00 31.41 H new ATOM 0 HE1 MET A 45 2.924 -7.967 -5.511 1.00 63.22 H new ATOM 0 HE2 MET A 45 4.521 -8.338 -6.205 1.00 63.22 H new ATOM 0 HE3 MET A 45 3.117 -8.107 -7.275 1.00 63.22 H new ATOM 779 N ASN A 46 2.998 -11.427 -11.949 1.00 65.55 N ATOM 780 CA ASN A 46 2.188 -11.169 -13.153 1.00 11.11 C ATOM 781 C ASN A 46 0.931 -10.367 -12.761 1.00 3.53 C ATOM 782 O ASN A 46 0.742 -10.050 -11.578 1.00 31.01 O ATOM 783 CB ASN A 46 1.827 -12.519 -13.828 1.00 4.13 C ATOM 784 CG ASN A 46 3.016 -13.279 -14.457 1.00 41.03 C ATOM 785 OD1 ASN A 46 4.241 -13.047 -13.986 1.00 74.23 O flip ATOM 786 ND2 ASN A 46 2.833 -14.076 -15.380 1.00 34.42 N flip ATOM 0 H ASN A 46 2.830 -12.345 -11.537 1.00 65.55 H new ATOM 0 HA ASN A 46 2.752 -10.575 -13.873 1.00 11.11 H new ATOM 0 HB2 ASN A 46 1.356 -13.164 -13.086 1.00 4.13 H new ATOM 0 HB3 ASN A 46 1.085 -12.332 -14.604 1.00 4.13 H new ATOM 0 HD21 ASN A 46 1.890 -14.243 -15.730 1.00 34.42 H new ATOM 0 HD22 ASN A 46 3.625 -14.568 -15.794 1.00 34.42 H new ATOM 793 N GLU A 47 0.073 -10.065 -13.750 1.00 12.02 N ATOM 794 CA GLU A 47 -1.073 -9.146 -13.578 1.00 21.14 C ATOM 795 C GLU A 47 -2.066 -9.624 -12.495 1.00 63.21 C ATOM 796 O GLU A 47 -2.464 -8.837 -11.635 1.00 72.15 O ATOM 797 CB GLU A 47 -1.786 -8.938 -14.938 1.00 11.33 C ATOM 798 CG GLU A 47 -0.908 -8.257 -16.014 1.00 4.52 C ATOM 799 CD GLU A 47 -1.594 -8.169 -17.384 1.00 54.24 C ATOM 800 OE1 GLU A 47 -2.461 -7.288 -17.574 1.00 2.12 O ATOM 801 OE2 GLU A 47 -1.293 -8.999 -18.268 1.00 52.13 O ATOM 0 H GLU A 47 0.151 -10.449 -14.692 1.00 12.02 H new ATOM 0 HA GLU A 47 -0.680 -8.192 -13.227 1.00 21.14 H new ATOM 0 HB2 GLU A 47 -2.117 -9.906 -15.314 1.00 11.33 H new ATOM 0 HB3 GLU A 47 -2.680 -8.335 -14.779 1.00 11.33 H new ATOM 0 HG2 GLU A 47 -0.648 -7.253 -15.680 1.00 4.52 H new ATOM 0 HG3 GLU A 47 0.025 -8.811 -16.117 1.00 4.52 H new ATOM 808 N THR A 48 -2.412 -10.927 -12.518 1.00 15.14 N ATOM 809 CA THR A 48 -3.400 -11.511 -11.586 1.00 1.31 C ATOM 810 C THR A 48 -2.741 -11.821 -10.221 1.00 22.10 C ATOM 811 O THR A 48 -3.387 -11.684 -9.181 1.00 34.31 O ATOM 812 CB THR A 48 -4.062 -12.803 -12.192 1.00 23.01 C ATOM 813 OG1 THR A 48 -4.420 -12.563 -13.571 1.00 3.21 O ATOM 814 CG2 THR A 48 -5.318 -13.252 -11.402 1.00 21.51 C ATOM 0 H THR A 48 -2.019 -11.600 -13.177 1.00 15.14 H new ATOM 0 HA THR A 48 -4.190 -10.776 -11.430 1.00 1.31 H new ATOM 0 HB THR A 48 -3.328 -13.606 -12.123 1.00 23.01 H new ATOM 0 HG1 THR A 48 -4.831 -13.369 -13.947 1.00 3.21 H new ATOM 0 HG21 THR A 48 -5.736 -14.147 -11.862 1.00 21.51 H new ATOM 0 HG22 THR A 48 -5.041 -13.469 -10.371 1.00 21.51 H new ATOM 0 HG23 THR A 48 -6.062 -12.455 -11.417 1.00 21.51 H new ATOM 822 N GLU A 49 -1.434 -12.199 -10.238 1.00 3.01 N ATOM 823 CA GLU A 49 -0.648 -12.451 -8.999 1.00 4.15 C ATOM 824 C GLU A 49 -0.611 -11.186 -8.125 1.00 73.41 C ATOM 825 O GLU A 49 -0.900 -11.222 -6.923 1.00 21.42 O ATOM 826 CB GLU A 49 0.810 -12.885 -9.331 1.00 22.24 C ATOM 827 CG GLU A 49 0.931 -14.128 -10.225 1.00 2.33 C ATOM 828 CD GLU A 49 0.207 -15.360 -9.652 1.00 1.21 C ATOM 829 OE1 GLU A 49 0.752 -16.016 -8.744 1.00 13.33 O ATOM 830 OE2 GLU A 49 -0.909 -15.684 -10.109 1.00 4.34 O ATOM 0 H GLU A 49 -0.902 -12.336 -11.098 1.00 3.01 H new ATOM 0 HA GLU A 49 -1.139 -13.260 -8.458 1.00 4.15 H new ATOM 0 HB2 GLU A 49 1.318 -12.054 -9.820 1.00 22.24 H new ATOM 0 HB3 GLU A 49 1.338 -13.076 -8.397 1.00 22.24 H new ATOM 0 HG2 GLU A 49 0.523 -13.900 -11.210 1.00 2.33 H new ATOM 0 HG3 GLU A 49 1.985 -14.366 -10.364 1.00 2.33 H new ATOM 837 N TYR A 50 -0.285 -10.065 -8.786 1.00 72.21 N ATOM 838 CA TYR A 50 -0.184 -8.746 -8.165 1.00 32.45 C ATOM 839 C TYR A 50 -1.582 -8.169 -7.816 1.00 1.21 C ATOM 840 O TYR A 50 -1.721 -7.468 -6.808 1.00 54.23 O ATOM 841 CB TYR A 50 0.607 -7.796 -9.111 1.00 43.31 C ATOM 842 CG TYR A 50 0.506 -6.316 -8.731 1.00 50.04 C ATOM 843 CD1 TYR A 50 1.178 -5.803 -7.623 1.00 23.04 C ATOM 844 CD2 TYR A 50 -0.313 -5.451 -9.451 1.00 73.22 C ATOM 845 CE1 TYR A 50 1.025 -4.487 -7.248 1.00 21.31 C ATOM 846 CE2 TYR A 50 -0.451 -4.139 -9.090 1.00 2.21 C ATOM 847 CZ TYR A 50 0.210 -3.657 -7.989 1.00 20.52 C ATOM 848 OH TYR A 50 0.014 -2.353 -7.601 1.00 13.21 O ATOM 0 H TYR A 50 -0.081 -10.055 -9.785 1.00 72.21 H new ATOM 0 HA TYR A 50 0.355 -8.839 -7.222 1.00 32.45 H new ATOM 0 HB2 TYR A 50 1.657 -8.090 -9.110 1.00 43.31 H new ATOM 0 HB3 TYR A 50 0.240 -7.925 -10.129 1.00 43.31 H new ATOM 0 HD1 TYR A 50 1.828 -6.447 -7.050 1.00 23.04 H new ATOM 0 HD2 TYR A 50 -0.850 -5.823 -10.311 1.00 73.22 H new ATOM 0 HE1 TYR A 50 1.540 -4.107 -6.378 1.00 21.31 H new ATOM 0 HE2 TYR A 50 -1.081 -3.482 -9.672 1.00 2.21 H new ATOM 0 HH TYR A 50 0.711 -2.093 -6.962 1.00 13.21 H new ATOM 858 N GLN A 51 -2.607 -8.471 -8.647 1.00 1.20 N ATOM 859 CA GLN A 51 -3.986 -7.944 -8.448 1.00 73.30 C ATOM 860 C GLN A 51 -4.589 -8.539 -7.161 1.00 41.23 C ATOM 861 O GLN A 51 -5.150 -7.821 -6.323 1.00 41.42 O ATOM 862 CB GLN A 51 -4.908 -8.263 -9.680 1.00 61.31 C ATOM 863 CG GLN A 51 -6.034 -7.232 -9.962 1.00 22.12 C ATOM 864 CD GLN A 51 -7.074 -7.035 -8.850 1.00 22.42 C ATOM 865 OE1 GLN A 51 -8.099 -7.717 -8.815 1.00 64.30 O ATOM 866 NE2 GLN A 51 -6.828 -6.094 -7.941 1.00 70.30 N ATOM 0 H GLN A 51 -2.509 -9.076 -9.462 1.00 1.20 H new ATOM 0 HA GLN A 51 -3.926 -6.860 -8.353 1.00 73.30 H new ATOM 0 HB2 GLN A 51 -4.282 -8.342 -10.569 1.00 61.31 H new ATOM 0 HB3 GLN A 51 -5.366 -9.240 -9.525 1.00 61.31 H new ATOM 0 HG2 GLN A 51 -5.570 -6.268 -10.170 1.00 22.12 H new ATOM 0 HG3 GLN A 51 -6.557 -7.537 -10.869 1.00 22.12 H new ATOM 0 HE21 GLN A 51 -5.970 -5.544 -7.995 1.00 70.30 H new ATOM 0 HE22 GLN A 51 -7.497 -5.923 -7.190 1.00 70.30 H new ATOM 875 N GLU A 52 -4.445 -9.861 -7.016 1.00 21.33 N ATOM 876 CA GLU A 52 -4.930 -10.604 -5.842 1.00 13.14 C ATOM 877 C GLU A 52 -4.064 -10.305 -4.602 1.00 54.52 C ATOM 878 O GLU A 52 -4.539 -10.410 -3.467 1.00 64.24 O ATOM 879 CB GLU A 52 -4.971 -12.119 -6.156 1.00 73.42 C ATOM 880 CG GLU A 52 -5.910 -12.484 -7.327 1.00 22.14 C ATOM 881 CD GLU A 52 -6.143 -13.995 -7.475 1.00 34.00 C ATOM 882 OE1 GLU A 52 -7.033 -14.539 -6.790 1.00 14.44 O ATOM 883 OE2 GLU A 52 -5.444 -14.652 -8.270 1.00 15.00 O ATOM 0 H GLU A 52 -3.987 -10.450 -7.711 1.00 21.33 H new ATOM 0 HA GLU A 52 -5.944 -10.276 -5.612 1.00 13.14 H new ATOM 0 HB2 GLU A 52 -3.963 -12.460 -6.390 1.00 73.42 H new ATOM 0 HB3 GLU A 52 -5.291 -12.658 -5.264 1.00 73.42 H new ATOM 0 HG2 GLU A 52 -6.870 -11.989 -7.181 1.00 22.14 H new ATOM 0 HG3 GLU A 52 -5.489 -12.096 -8.255 1.00 22.14 H new ATOM 890 N HIS A 53 -2.789 -9.926 -4.846 1.00 20.54 N ATOM 891 CA HIS A 53 -1.879 -9.404 -3.805 1.00 54.41 C ATOM 892 C HIS A 53 -2.421 -8.073 -3.242 1.00 44.44 C ATOM 893 O HIS A 53 -2.423 -7.876 -2.031 1.00 4.31 O ATOM 894 CB HIS A 53 -0.437 -9.221 -4.375 1.00 10.11 C ATOM 895 CG HIS A 53 0.535 -8.500 -3.467 1.00 72.51 C ATOM 896 ND1 HIS A 53 1.210 -9.121 -2.441 1.00 44.21 N ATOM 897 CD2 HIS A 53 0.943 -7.207 -3.444 1.00 21.52 C ATOM 898 CE1 HIS A 53 1.989 -8.249 -1.837 1.00 2.12 C ATOM 899 NE2 HIS A 53 1.849 -7.083 -2.426 1.00 50.14 N ATOM 0 H HIS A 53 -2.363 -9.974 -5.772 1.00 20.54 H new ATOM 0 HA HIS A 53 -1.829 -10.127 -2.991 1.00 54.41 H new ATOM 0 HB2 HIS A 53 -0.029 -10.205 -4.607 1.00 10.11 H new ATOM 0 HB3 HIS A 53 -0.503 -8.674 -5.315 1.00 10.11 H new ATOM 0 HD2 HIS A 53 0.614 -6.420 -4.107 1.00 21.52 H new ATOM 0 HE1 HIS A 53 2.635 -8.457 -0.997 1.00 2.12 H new ATOM 0 HE2 HIS A 53 2.336 -6.225 -2.167 1.00 50.14 H new ATOM 908 N LEU A 54 -2.884 -7.177 -4.147 1.00 25.30 N ATOM 909 CA LEU A 54 -3.509 -5.888 -3.769 1.00 22.24 C ATOM 910 C LEU A 54 -4.748 -6.118 -2.908 1.00 5.52 C ATOM 911 O LEU A 54 -4.896 -5.514 -1.864 1.00 44.01 O ATOM 912 CB LEU A 54 -3.944 -5.084 -5.025 1.00 33.01 C ATOM 913 CG LEU A 54 -2.818 -4.509 -5.916 1.00 64.33 C ATOM 914 CD1 LEU A 54 -3.411 -3.963 -7.228 1.00 32.31 C ATOM 915 CD2 LEU A 54 -2.007 -3.436 -5.154 1.00 12.43 C ATOM 0 H LEU A 54 -2.835 -7.327 -5.155 1.00 25.30 H new ATOM 0 HA LEU A 54 -2.760 -5.326 -3.211 1.00 22.24 H new ATOM 0 HB2 LEU A 54 -4.567 -5.731 -5.642 1.00 33.01 H new ATOM 0 HB3 LEU A 54 -4.572 -4.256 -4.696 1.00 33.01 H new ATOM 0 HG LEU A 54 -2.123 -5.309 -6.172 1.00 64.33 H new ATOM 0 HD11 LEU A 54 -2.611 -3.560 -7.849 1.00 32.31 H new ATOM 0 HD12 LEU A 54 -3.915 -4.768 -7.763 1.00 32.31 H new ATOM 0 HD13 LEU A 54 -4.128 -3.173 -7.002 1.00 32.31 H new ATOM 0 HD21 LEU A 54 -1.221 -3.046 -5.801 1.00 12.43 H new ATOM 0 HD22 LEU A 54 -2.669 -2.623 -4.857 1.00 12.43 H new ATOM 0 HD23 LEU A 54 -1.558 -3.881 -4.266 1.00 12.43 H new ATOM 927 N ASP A 55 -5.621 -7.020 -3.384 1.00 33.10 N ATOM 928 CA ASP A 55 -6.918 -7.303 -2.753 1.00 64.23 C ATOM 929 C ASP A 55 -6.723 -7.949 -1.367 1.00 43.12 C ATOM 930 O ASP A 55 -7.502 -7.704 -0.441 1.00 31.31 O ATOM 931 CB ASP A 55 -7.767 -8.201 -3.693 1.00 74.03 C ATOM 932 CG ASP A 55 -9.226 -8.347 -3.220 1.00 31.31 C ATOM 933 OD1 ASP A 55 -10.023 -7.400 -3.433 1.00 73.13 O ATOM 934 OD2 ASP A 55 -9.580 -9.390 -2.618 1.00 14.44 O ATOM 0 H ASP A 55 -5.445 -7.575 -4.221 1.00 33.10 H new ATOM 0 HA ASP A 55 -7.455 -6.368 -2.595 1.00 64.23 H new ATOM 0 HB2 ASP A 55 -7.756 -7.780 -4.698 1.00 74.03 H new ATOM 0 HB3 ASP A 55 -7.310 -9.188 -3.756 1.00 74.03 H new ATOM 939 N SER A 56 -5.637 -8.737 -1.239 1.00 45.14 N ATOM 940 CA SER A 56 -5.250 -9.393 0.024 1.00 2.21 C ATOM 941 C SER A 56 -4.748 -8.353 1.044 1.00 21.44 C ATOM 942 O SER A 56 -5.179 -8.350 2.206 1.00 55.04 O ATOM 943 CB SER A 56 -4.165 -10.467 -0.248 1.00 72.10 C ATOM 944 OG SER A 56 -3.899 -11.251 0.902 1.00 1.21 O ATOM 0 H SER A 56 -5.002 -8.936 -2.012 1.00 45.14 H new ATOM 0 HA SER A 56 -6.126 -9.883 0.448 1.00 2.21 H new ATOM 0 HB2 SER A 56 -4.491 -11.115 -1.062 1.00 72.10 H new ATOM 0 HB3 SER A 56 -3.247 -9.980 -0.576 1.00 72.10 H new ATOM 0 HG SER A 56 -3.212 -11.917 0.692 1.00 1.21 H new ATOM 950 N VAL A 57 -3.859 -7.450 0.574 1.00 52.23 N ATOM 951 CA VAL A 57 -3.327 -6.326 1.375 1.00 61.41 C ATOM 952 C VAL A 57 -4.476 -5.394 1.814 1.00 53.41 C ATOM 953 O VAL A 57 -4.575 -5.027 2.982 1.00 71.12 O ATOM 954 CB VAL A 57 -2.234 -5.517 0.561 1.00 4.03 C ATOM 955 CG1 VAL A 57 -1.893 -4.154 1.216 1.00 42.25 C ATOM 956 CG2 VAL A 57 -0.956 -6.372 0.360 1.00 12.04 C ATOM 0 H VAL A 57 -3.489 -7.481 -0.376 1.00 52.23 H new ATOM 0 HA VAL A 57 -2.848 -6.735 2.265 1.00 61.41 H new ATOM 0 HB VAL A 57 -2.663 -5.296 -0.416 1.00 4.03 H new ATOM 0 HG11 VAL A 57 -1.140 -3.641 0.618 1.00 42.25 H new ATOM 0 HG12 VAL A 57 -2.793 -3.541 1.270 1.00 42.25 H new ATOM 0 HG13 VAL A 57 -1.507 -4.320 2.222 1.00 42.25 H new ATOM 0 HG21 VAL A 57 -0.219 -5.798 -0.201 1.00 12.04 H new ATOM 0 HG22 VAL A 57 -0.543 -6.642 1.332 1.00 12.04 H new ATOM 0 HG23 VAL A 57 -1.207 -7.278 -0.192 1.00 12.04 H new ATOM 966 N ALA A 58 -5.373 -5.105 0.864 1.00 34.54 N ATOM 967 CA ALA A 58 -6.507 -4.183 1.036 1.00 53.32 C ATOM 968 C ALA A 58 -7.560 -4.744 2.013 1.00 64.31 C ATOM 969 O ALA A 58 -8.282 -3.979 2.677 1.00 0.14 O ATOM 970 CB ALA A 58 -7.128 -3.892 -0.334 1.00 63.42 C ATOM 0 H ALA A 58 -5.331 -5.515 -0.069 1.00 34.54 H new ATOM 0 HA ALA A 58 -6.139 -3.255 1.474 1.00 53.32 H new ATOM 0 HB1 ALA A 58 -7.969 -3.209 -0.215 1.00 63.42 H new ATOM 0 HB2 ALA A 58 -6.380 -3.436 -0.983 1.00 63.42 H new ATOM 0 HB3 ALA A 58 -7.477 -4.823 -0.780 1.00 63.42 H new ATOM 976 N ASN A 59 -7.633 -6.091 2.078 1.00 43.25 N ATOM 977 CA ASN A 59 -8.454 -6.816 3.065 1.00 73.43 C ATOM 978 C ASN A 59 -7.900 -6.568 4.478 1.00 40.32 C ATOM 979 O ASN A 59 -8.656 -6.244 5.394 1.00 74.43 O ATOM 980 CB ASN A 59 -8.471 -8.342 2.756 1.00 52.11 C ATOM 981 CG ASN A 59 -9.335 -9.167 3.730 1.00 12.00 C ATOM 982 OD1 ASN A 59 -10.337 -8.683 4.259 1.00 4.42 O ATOM 983 ND2 ASN A 59 -8.960 -10.415 3.966 1.00 51.21 N ATOM 0 H ASN A 59 -7.122 -6.706 1.444 1.00 43.25 H new ATOM 0 HA ASN A 59 -9.478 -6.446 3.007 1.00 73.43 H new ATOM 0 HB2 ASN A 59 -8.840 -8.493 1.741 1.00 52.11 H new ATOM 0 HB3 ASN A 59 -7.449 -8.720 2.783 1.00 52.11 H new ATOM 0 HD21 ASN A 59 -9.505 -11.000 4.599 1.00 51.21 H new ATOM 0 HD22 ASN A 59 -8.126 -10.791 3.515 1.00 51.21 H new ATOM 990 N TYR A 60 -6.562 -6.700 4.621 1.00 33.35 N ATOM 991 CA TYR A 60 -5.858 -6.434 5.898 1.00 52.43 C ATOM 992 C TYR A 60 -5.937 -4.953 6.293 1.00 61.43 C ATOM 993 O TYR A 60 -5.985 -4.637 7.475 1.00 1.21 O ATOM 994 CB TYR A 60 -4.366 -6.856 5.839 1.00 54.41 C ATOM 995 CG TYR A 60 -4.130 -8.359 5.820 1.00 63.52 C ATOM 996 CD1 TYR A 60 -4.492 -9.132 6.916 1.00 51.50 C ATOM 997 CD2 TYR A 60 -3.538 -9.001 4.730 1.00 0.11 C ATOM 998 CE1 TYR A 60 -4.290 -10.488 6.929 1.00 43.15 C ATOM 999 CE2 TYR A 60 -3.330 -10.367 4.737 1.00 40.32 C ATOM 1000 CZ TYR A 60 -3.708 -11.106 5.838 1.00 34.52 C ATOM 1001 OH TYR A 60 -3.522 -12.471 5.842 1.00 15.22 O ATOM 0 H TYR A 60 -5.944 -6.991 3.863 1.00 33.35 H new ATOM 0 HA TYR A 60 -6.368 -7.036 6.650 1.00 52.43 H new ATOM 0 HB2 TYR A 60 -3.914 -6.420 4.948 1.00 54.41 H new ATOM 0 HB3 TYR A 60 -3.848 -6.432 6.699 1.00 54.41 H new ATOM 0 HD1 TYR A 60 -4.941 -8.655 7.775 1.00 51.50 H new ATOM 0 HD2 TYR A 60 -3.239 -8.421 3.869 1.00 0.11 H new ATOM 0 HE1 TYR A 60 -4.585 -11.071 7.789 1.00 43.15 H new ATOM 0 HE2 TYR A 60 -2.875 -10.852 3.886 1.00 40.32 H new ATOM 0 HH TYR A 60 -3.102 -12.746 5.000 1.00 15.22 H new ATOM 1011 N LEU A 61 -5.942 -4.057 5.297 1.00 10.00 N ATOM 1012 CA LEU A 61 -6.045 -2.610 5.538 1.00 63.04 C ATOM 1013 C LEU A 61 -7.373 -2.270 6.252 1.00 41.52 C ATOM 1014 O LEU A 61 -7.390 -1.481 7.191 1.00 51.44 O ATOM 1015 CB LEU A 61 -5.895 -1.811 4.210 1.00 1.21 C ATOM 1016 CG LEU A 61 -4.492 -1.867 3.523 1.00 64.13 C ATOM 1017 CD1 LEU A 61 -4.460 -1.035 2.219 1.00 61.35 C ATOM 1018 CD2 LEU A 61 -3.375 -1.443 4.503 1.00 24.55 C ATOM 0 H LEU A 61 -5.876 -4.310 4.311 1.00 10.00 H new ATOM 0 HA LEU A 61 -5.226 -2.314 6.194 1.00 63.04 H new ATOM 0 HB2 LEU A 61 -6.637 -2.181 3.503 1.00 1.21 H new ATOM 0 HB3 LEU A 61 -6.137 -0.767 4.410 1.00 1.21 H new ATOM 0 HG LEU A 61 -4.304 -2.903 3.241 1.00 64.13 H new ATOM 0 HD11 LEU A 61 -3.468 -1.099 1.771 1.00 61.35 H new ATOM 0 HD12 LEU A 61 -5.200 -1.425 1.520 1.00 61.35 H new ATOM 0 HD13 LEU A 61 -4.689 0.006 2.446 1.00 61.35 H new ATOM 0 HD21 LEU A 61 -2.410 -1.492 3.998 1.00 24.55 H new ATOM 0 HD22 LEU A 61 -3.556 -0.423 4.842 1.00 24.55 H new ATOM 0 HD23 LEU A 61 -3.370 -2.115 5.361 1.00 24.55 H new ATOM 1030 N HIS A 62 -8.477 -2.910 5.822 1.00 2.23 N ATOM 1031 CA HIS A 62 -9.798 -2.726 6.457 1.00 33.22 C ATOM 1032 C HIS A 62 -9.887 -3.493 7.795 1.00 64.41 C ATOM 1033 O HIS A 62 -10.439 -2.976 8.772 1.00 44.10 O ATOM 1034 CB HIS A 62 -10.925 -3.189 5.513 1.00 45.31 C ATOM 1035 CG HIS A 62 -12.304 -3.054 6.113 1.00 24.53 C ATOM 1036 ND1 HIS A 62 -13.062 -4.137 6.499 1.00 53.35 N ATOM 1037 CD2 HIS A 62 -13.045 -1.957 6.414 1.00 55.33 C ATOM 1038 CE1 HIS A 62 -14.203 -3.717 7.003 1.00 74.34 C ATOM 1039 NE2 HIS A 62 -14.216 -2.401 6.964 1.00 73.41 N ATOM 0 H HIS A 62 -8.481 -3.560 5.036 1.00 2.23 H new ATOM 0 HA HIS A 62 -9.920 -1.662 6.660 1.00 33.22 H new ATOM 0 HB2 HIS A 62 -10.879 -2.608 4.592 1.00 45.31 H new ATOM 0 HB3 HIS A 62 -10.756 -4.231 5.241 1.00 45.31 H new ATOM 0 HD2 HIS A 62 -12.763 -0.927 6.250 1.00 55.33 H new ATOM 0 HE1 HIS A 62 -14.994 -4.345 7.384 1.00 74.34 H new ATOM 0 HE2 HIS A 62 -14.978 -1.807 7.292 1.00 73.41 H new ATOM 1048 N ALA A 63 -9.324 -4.718 7.814 1.00 33.24 N ATOM 1049 CA ALA A 63 -9.357 -5.628 8.983 1.00 11.32 C ATOM 1050 C ALA A 63 -8.681 -4.982 10.201 1.00 10.34 C ATOM 1051 O ALA A 63 -9.211 -5.001 11.320 1.00 71.12 O ATOM 1052 CB ALA A 63 -8.666 -6.962 8.633 1.00 33.33 C ATOM 0 H ALA A 63 -8.829 -5.109 7.013 1.00 33.24 H new ATOM 0 HA ALA A 63 -10.399 -5.823 9.238 1.00 11.32 H new ATOM 0 HB1 ALA A 63 -8.695 -7.625 9.498 1.00 33.33 H new ATOM 0 HB2 ALA A 63 -9.185 -7.432 7.798 1.00 33.33 H new ATOM 0 HB3 ALA A 63 -7.629 -6.773 8.355 1.00 33.33 H new ATOM 1058 N LEU A 64 -7.505 -4.398 9.934 1.00 24.21 N ATOM 1059 CA LEU A 64 -6.667 -3.725 10.935 1.00 34.21 C ATOM 1060 C LEU A 64 -7.130 -2.261 11.142 1.00 62.11 C ATOM 1061 O LEU A 64 -6.885 -1.678 12.193 1.00 61.00 O ATOM 1062 CB LEU A 64 -5.177 -3.786 10.475 1.00 14.43 C ATOM 1063 CG LEU A 64 -4.597 -5.222 10.220 1.00 22.12 C ATOM 1064 CD1 LEU A 64 -3.209 -5.174 9.533 1.00 51.34 C ATOM 1065 CD2 LEU A 64 -4.569 -6.058 11.516 1.00 43.21 C ATOM 0 H LEU A 64 -7.102 -4.380 8.997 1.00 24.21 H new ATOM 0 HA LEU A 64 -6.764 -4.234 11.894 1.00 34.21 H new ATOM 0 HB2 LEU A 64 -5.076 -3.206 9.558 1.00 14.43 H new ATOM 0 HB3 LEU A 64 -4.563 -3.296 11.231 1.00 14.43 H new ATOM 0 HG LEU A 64 -5.272 -5.723 9.526 1.00 22.12 H new ATOM 0 HD11 LEU A 64 -2.846 -6.190 9.376 1.00 51.34 H new ATOM 0 HD12 LEU A 64 -3.296 -4.667 8.572 1.00 51.34 H new ATOM 0 HD13 LEU A 64 -2.508 -4.632 10.167 1.00 51.34 H new ATOM 0 HD21 LEU A 64 -4.162 -7.046 11.303 1.00 43.21 H new ATOM 0 HD22 LEU A 64 -3.944 -5.560 12.257 1.00 43.21 H new ATOM 0 HD23 LEU A 64 -5.582 -6.159 11.906 1.00 43.21 H new ATOM 1077 N GLY A 65 -7.797 -1.679 10.123 1.00 51.21 N ATOM 1078 CA GLY A 65 -8.307 -0.292 10.190 1.00 50.21 C ATOM 1079 C GLY A 65 -7.334 0.751 9.636 1.00 1.55 C ATOM 1080 O GLY A 65 -7.575 1.959 9.757 1.00 73.55 O ATOM 0 H GLY A 65 -7.996 -2.150 9.240 1.00 51.21 H new ATOM 0 HA2 GLY A 65 -9.244 -0.232 9.636 1.00 50.21 H new ATOM 0 HA3 GLY A 65 -8.534 -0.048 11.228 1.00 50.21 H new ATOM 1084 N GLY A 66 -6.247 0.272 8.999 1.00 72.21 N ATOM 1085 CA GLY A 66 -5.220 1.139 8.415 1.00 14.44 C ATOM 1086 C GLY A 66 -5.541 1.592 6.992 1.00 23.55 C ATOM 1087 O GLY A 66 -4.733 2.288 6.381 1.00 55.44 O ATOM 0 H GLY A 66 -6.062 -0.724 8.878 1.00 72.21 H new ATOM 0 HA2 GLY A 66 -5.095 2.018 9.048 1.00 14.44 H new ATOM 0 HA3 GLY A 66 -4.267 0.610 8.413 1.00 14.44 H new ATOM 1091 N ALA A 67 -6.738 1.222 6.485 1.00 32.15 N ATOM 1092 CA ALA A 67 -7.177 1.541 5.109 1.00 50.15 C ATOM 1093 C ALA A 67 -7.294 3.052 4.883 1.00 32.24 C ATOM 1094 O ALA A 67 -6.803 3.578 3.880 1.00 53.13 O ATOM 1095 CB ALA A 67 -8.514 0.846 4.806 1.00 34.20 C ATOM 0 H ALA A 67 -7.427 0.693 7.019 1.00 32.15 H new ATOM 0 HA ALA A 67 -6.416 1.168 4.423 1.00 50.15 H new ATOM 0 HB1 ALA A 67 -8.828 1.088 3.791 1.00 34.20 H new ATOM 0 HB2 ALA A 67 -8.393 -0.233 4.901 1.00 34.20 H new ATOM 0 HB3 ALA A 67 -9.271 1.190 5.511 1.00 34.20 H new ATOM 1101 N VAL A 68 -7.936 3.734 5.849 1.00 33.13 N ATOM 1102 CA VAL A 68 -8.106 5.200 5.838 1.00 22.44 C ATOM 1103 C VAL A 68 -6.730 5.893 5.922 1.00 32.04 C ATOM 1104 O VAL A 68 -6.513 6.911 5.278 1.00 31.24 O ATOM 1105 CB VAL A 68 -9.022 5.689 7.029 1.00 1.14 C ATOM 1106 CG1 VAL A 68 -9.307 7.216 6.961 1.00 74.10 C ATOM 1107 CG2 VAL A 68 -10.334 4.876 7.081 1.00 41.13 C ATOM 0 H VAL A 68 -8.353 3.283 6.663 1.00 33.13 H new ATOM 0 HA VAL A 68 -8.596 5.469 4.902 1.00 22.44 H new ATOM 0 HB VAL A 68 -8.473 5.512 7.954 1.00 1.14 H new ATOM 0 HG11 VAL A 68 -9.940 7.506 7.800 1.00 74.10 H new ATOM 0 HG12 VAL A 68 -8.366 7.764 7.010 1.00 74.10 H new ATOM 0 HG13 VAL A 68 -9.815 7.450 6.025 1.00 74.10 H new ATOM 0 HG21 VAL A 68 -10.949 5.230 7.909 1.00 41.13 H new ATOM 0 HG22 VAL A 68 -10.878 5.003 6.145 1.00 41.13 H new ATOM 0 HG23 VAL A 68 -10.103 3.821 7.226 1.00 41.13 H new ATOM 1117 N GLN A 69 -5.800 5.276 6.678 1.00 70.43 N ATOM 1118 CA GLN A 69 -4.439 5.818 6.903 1.00 74.42 C ATOM 1119 C GLN A 69 -3.600 5.788 5.606 1.00 63.11 C ATOM 1120 O GLN A 69 -2.776 6.673 5.371 1.00 24.20 O ATOM 1121 CB GLN A 69 -3.731 5.032 8.048 1.00 24.31 C ATOM 1122 CG GLN A 69 -4.572 4.849 9.342 1.00 52.31 C ATOM 1123 CD GLN A 69 -5.017 6.149 10.040 1.00 10.41 C ATOM 1124 OE1 GLN A 69 -5.248 7.187 9.421 1.00 3.34 O ATOM 1125 NE2 GLN A 69 -5.177 6.089 11.349 1.00 0.23 N ATOM 0 H GLN A 69 -5.968 4.388 7.151 1.00 70.43 H new ATOM 0 HA GLN A 69 -4.532 6.861 7.204 1.00 74.42 H new ATOM 0 HB2 GLN A 69 -3.452 4.047 7.673 1.00 24.31 H new ATOM 0 HB3 GLN A 69 -2.806 5.549 8.305 1.00 24.31 H new ATOM 0 HG2 GLN A 69 -5.461 4.268 9.096 1.00 52.31 H new ATOM 0 HG3 GLN A 69 -3.991 4.259 10.050 1.00 52.31 H new ATOM 0 HE21 GLN A 69 -4.981 5.221 11.847 1.00 0.23 H new ATOM 0 HE22 GLN A 69 -5.496 6.911 11.862 1.00 0.23 H new ATOM 1134 N VAL A 70 -3.841 4.758 4.774 1.00 75.14 N ATOM 1135 CA VAL A 70 -3.233 4.629 3.428 1.00 65.44 C ATOM 1136 C VAL A 70 -3.800 5.703 2.483 1.00 50.21 C ATOM 1137 O VAL A 70 -3.055 6.401 1.791 1.00 41.03 O ATOM 1138 CB VAL A 70 -3.496 3.188 2.843 1.00 5.45 C ATOM 1139 CG1 VAL A 70 -2.989 3.032 1.387 1.00 71.02 C ATOM 1140 CG2 VAL A 70 -2.872 2.122 3.761 1.00 14.14 C ATOM 0 H VAL A 70 -4.464 3.987 5.013 1.00 75.14 H new ATOM 0 HA VAL A 70 -2.156 4.776 3.516 1.00 65.44 H new ATOM 0 HB VAL A 70 -4.576 3.044 2.810 1.00 5.45 H new ATOM 0 HG11 VAL A 70 -3.196 2.021 1.036 1.00 71.02 H new ATOM 0 HG12 VAL A 70 -3.499 3.751 0.745 1.00 71.02 H new ATOM 0 HG13 VAL A 70 -1.915 3.214 1.354 1.00 71.02 H new ATOM 0 HG21 VAL A 70 -3.060 1.131 3.348 1.00 14.14 H new ATOM 0 HG22 VAL A 70 -1.797 2.288 3.833 1.00 14.14 H new ATOM 0 HG23 VAL A 70 -3.317 2.191 4.754 1.00 14.14 H new ATOM 1150 N LYS A 71 -5.136 5.849 2.517 1.00 52.25 N ATOM 1151 CA LYS A 71 -5.878 6.809 1.677 1.00 2.22 C ATOM 1152 C LYS A 71 -5.616 8.264 2.104 1.00 70.12 C ATOM 1153 O LYS A 71 -5.827 9.188 1.325 1.00 74.42 O ATOM 1154 CB LYS A 71 -7.391 6.489 1.737 1.00 32.54 C ATOM 1155 CG LYS A 71 -7.763 5.106 1.155 1.00 53.42 C ATOM 1156 CD LYS A 71 -9.259 4.760 1.352 1.00 22.53 C ATOM 1157 CE LYS A 71 -10.198 5.691 0.572 1.00 72.25 C ATOM 1158 NZ LYS A 71 -11.628 5.408 0.873 1.00 20.33 N ATOM 0 H LYS A 71 -5.737 5.301 3.132 1.00 52.25 H new ATOM 0 HA LYS A 71 -5.525 6.707 0.651 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -7.721 6.536 2.775 1.00 32.54 H new ATOM 0 HB3 LYS A 71 -7.937 7.260 1.193 1.00 32.54 H new ATOM 0 HG2 LYS A 71 -7.527 5.088 0.091 1.00 53.42 H new ATOM 0 HG3 LYS A 71 -7.151 4.339 1.630 1.00 53.42 H new ATOM 0 HD2 LYS A 71 -9.433 3.731 1.037 1.00 22.53 H new ATOM 0 HD3 LYS A 71 -9.502 4.814 2.413 1.00 22.53 H new ATOM 0 HE2 LYS A 71 -9.972 6.728 0.821 1.00 72.25 H new ATOM 0 HE3 LYS A 71 -10.021 5.574 -0.497 1.00 72.25 H new ATOM 0 HZ1 LYS A 71 -12.232 6.056 0.328 1.00 20.33 H new ATOM 0 HZ2 LYS A 71 -11.850 4.426 0.612 1.00 20.33 H new ATOM 0 HZ3 LYS A 71 -11.802 5.544 1.889 1.00 20.33 H new ATOM 1172 N THR A 72 -5.187 8.458 3.360 1.00 60.12 N ATOM 1173 CA THR A 72 -4.766 9.769 3.869 1.00 25.42 C ATOM 1174 C THR A 72 -3.351 10.075 3.368 1.00 31.34 C ATOM 1175 O THR A 72 -3.122 11.084 2.698 1.00 50.13 O ATOM 1176 CB THR A 72 -4.807 9.808 5.440 1.00 54.05 C ATOM 1177 OG1 THR A 72 -6.160 9.636 5.894 1.00 33.43 O ATOM 1178 CG2 THR A 72 -4.236 11.116 6.025 1.00 14.41 C ATOM 0 H THR A 72 -5.123 7.710 4.050 1.00 60.12 H new ATOM 0 HA THR A 72 -5.458 10.526 3.500 1.00 25.42 H new ATOM 0 HB THR A 72 -4.175 8.993 5.793 1.00 54.05 H new ATOM 0 HG1 THR A 72 -6.441 8.709 5.742 1.00 33.43 H new ATOM 0 HG21 THR A 72 -4.292 11.083 7.113 1.00 14.41 H new ATOM 0 HG22 THR A 72 -3.196 11.228 5.718 1.00 14.41 H new ATOM 0 HG23 THR A 72 -4.816 11.963 5.658 1.00 14.41 H new ATOM 1186 N PHE A 73 -2.430 9.140 3.653 1.00 71.32 N ATOM 1187 CA PHE A 73 -0.990 9.333 3.449 1.00 52.22 C ATOM 1188 C PHE A 73 -0.660 9.532 1.957 1.00 14.21 C ATOM 1189 O PHE A 73 -0.134 10.581 1.587 1.00 55.32 O ATOM 1190 CB PHE A 73 -0.209 8.133 4.033 1.00 21.24 C ATOM 1191 CG PHE A 73 1.302 8.347 4.128 1.00 65.32 C ATOM 1192 CD1 PHE A 73 2.157 8.016 3.073 1.00 42.33 C ATOM 1193 CD2 PHE A 73 1.868 8.886 5.284 1.00 62.32 C ATOM 1194 CE1 PHE A 73 3.516 8.220 3.175 1.00 22.23 C ATOM 1195 CE2 PHE A 73 3.228 9.085 5.378 1.00 62.14 C ATOM 1196 CZ PHE A 73 4.049 8.750 4.321 1.00 33.52 C ATOM 0 H PHE A 73 -2.668 8.224 4.034 1.00 71.32 H new ATOM 0 HA PHE A 73 -0.685 10.238 3.974 1.00 52.22 H new ATOM 0 HB2 PHE A 73 -0.596 7.914 5.028 1.00 21.24 H new ATOM 0 HB3 PHE A 73 -0.401 7.255 3.416 1.00 21.24 H new ATOM 0 HD1 PHE A 73 1.747 7.595 2.167 1.00 42.33 H new ATOM 0 HD2 PHE A 73 1.232 9.151 6.116 1.00 62.32 H new ATOM 0 HE1 PHE A 73 4.163 7.962 2.350 1.00 22.23 H new ATOM 0 HE2 PHE A 73 3.651 9.503 6.279 1.00 62.14 H new ATOM 0 HZ PHE A 73 5.115 8.906 4.397 1.00 33.52 H new ATOM 1206 N ILE A 74 -1.001 8.518 1.118 1.00 50.04 N ATOM 1207 CA ILE A 74 -0.682 8.509 -0.334 1.00 61.22 C ATOM 1208 C ILE A 74 -1.259 9.747 -1.045 1.00 30.02 C ATOM 1209 O ILE A 74 -0.546 10.416 -1.795 1.00 12.15 O ATOM 1210 CB ILE A 74 -1.192 7.188 -1.048 1.00 73.32 C ATOM 1211 CG1 ILE A 74 -0.421 5.950 -0.497 1.00 71.34 C ATOM 1212 CG2 ILE A 74 -1.083 7.272 -2.599 1.00 10.12 C ATOM 1213 CD1 ILE A 74 -0.776 4.617 -1.138 1.00 61.03 C ATOM 0 H ILE A 74 -1.503 7.686 1.429 1.00 50.04 H new ATOM 0 HA ILE A 74 0.405 8.536 -0.411 1.00 61.22 H new ATOM 0 HB ILE A 74 -2.252 7.077 -0.818 1.00 73.32 H new ATOM 0 HG12 ILE A 74 0.647 6.122 -0.627 1.00 71.34 H new ATOM 0 HG13 ILE A 74 -0.604 5.878 0.575 1.00 71.34 H new ATOM 0 HG21 ILE A 74 -1.445 6.343 -3.040 1.00 10.12 H new ATOM 0 HG22 ILE A 74 -1.686 8.105 -2.962 1.00 10.12 H new ATOM 0 HG23 ILE A 74 -0.042 7.427 -2.883 1.00 10.12 H new ATOM 0 HD11 ILE A 74 -0.183 3.824 -0.682 1.00 61.03 H new ATOM 0 HD12 ILE A 74 -1.835 4.411 -0.986 1.00 61.03 H new ATOM 0 HD13 ILE A 74 -0.564 4.659 -2.206 1.00 61.03 H new ATOM 1225 N THR A 75 -2.534 10.065 -0.751 1.00 24.33 N ATOM 1226 CA THR A 75 -3.266 11.169 -1.405 1.00 11.24 C ATOM 1227 C THR A 75 -2.654 12.550 -1.063 1.00 50.31 C ATOM 1228 O THR A 75 -2.746 13.489 -1.857 1.00 40.43 O ATOM 1229 CB THR A 75 -4.781 11.119 -1.007 1.00 44.13 C ATOM 1230 OG1 THR A 75 -5.301 9.822 -1.329 1.00 55.03 O ATOM 1231 CG2 THR A 75 -5.642 12.189 -1.710 1.00 73.41 C ATOM 0 H THR A 75 -3.086 9.565 -0.054 1.00 24.33 H new ATOM 0 HA THR A 75 -3.177 11.037 -2.483 1.00 11.24 H new ATOM 0 HB THR A 75 -4.834 11.324 0.062 1.00 44.13 H new ATOM 0 HG1 THR A 75 -5.573 9.365 -0.506 1.00 55.03 H new ATOM 0 HG21 THR A 75 -6.678 12.093 -1.386 1.00 73.41 H new ATOM 0 HG22 THR A 75 -5.271 13.181 -1.452 1.00 73.41 H new ATOM 0 HG23 THR A 75 -5.585 12.050 -2.790 1.00 73.41 H new ATOM 1239 N GLN A 76 -2.012 12.661 0.115 1.00 52.14 N ATOM 1240 CA GLN A 76 -1.414 13.931 0.592 1.00 2.42 C ATOM 1241 C GLN A 76 0.095 14.049 0.255 1.00 52.14 C ATOM 1242 O GLN A 76 0.583 15.158 -0.030 1.00 41.04 O ATOM 1243 CB GLN A 76 -1.629 14.081 2.121 1.00 54.44 C ATOM 1244 CG GLN A 76 -3.104 14.234 2.550 1.00 13.20 C ATOM 1245 CD GLN A 76 -3.278 14.481 4.051 1.00 51.20 C ATOM 1246 OE1 GLN A 76 -2.411 15.055 4.714 1.00 50.43 O ATOM 1247 NE2 GLN A 76 -4.405 14.062 4.597 1.00 10.53 N ATOM 0 H GLN A 76 -1.891 11.882 0.762 1.00 52.14 H new ATOM 0 HA GLN A 76 -1.923 14.738 0.065 1.00 2.42 H new ATOM 0 HB2 GLN A 76 -1.207 13.209 2.621 1.00 54.44 H new ATOM 0 HB3 GLN A 76 -1.071 14.950 2.470 1.00 54.44 H new ATOM 0 HG2 GLN A 76 -3.551 15.061 1.999 1.00 13.20 H new ATOM 0 HG3 GLN A 76 -3.651 13.333 2.272 1.00 13.20 H new ATOM 0 HE21 GLN A 76 -5.105 13.590 4.024 1.00 10.53 H new ATOM 0 HE22 GLN A 76 -4.576 14.210 5.592 1.00 10.53 H new ATOM 1256 N THR A 77 0.827 12.914 0.264 1.00 0.15 N ATOM 1257 CA THR A 77 2.306 12.924 0.203 1.00 64.42 C ATOM 1258 C THR A 77 2.803 13.206 -1.232 1.00 11.31 C ATOM 1259 O THR A 77 2.383 12.553 -2.194 1.00 14.12 O ATOM 1260 CB THR A 77 2.946 11.595 0.777 1.00 72.24 C ATOM 1261 OG1 THR A 77 4.367 11.752 0.891 1.00 43.50 O ATOM 1262 CG2 THR A 77 2.653 10.339 -0.070 1.00 72.44 C ATOM 0 H THR A 77 0.419 11.980 0.313 1.00 0.15 H new ATOM 0 HA THR A 77 2.641 13.738 0.847 1.00 64.42 H new ATOM 0 HB THR A 77 2.482 11.437 1.751 1.00 72.24 H new ATOM 0 HG1 THR A 77 4.664 11.419 1.763 1.00 43.50 H new ATOM 0 HG21 THR A 77 3.126 9.471 0.390 1.00 72.44 H new ATOM 0 HG22 THR A 77 1.576 10.179 -0.124 1.00 72.44 H new ATOM 0 HG23 THR A 77 3.050 10.478 -1.076 1.00 72.44 H new ATOM 1270 N LYS A 78 3.682 14.219 -1.367 1.00 53.43 N ATOM 1271 CA LYS A 78 4.334 14.563 -2.651 1.00 62.43 C ATOM 1272 C LYS A 78 5.626 13.743 -2.849 1.00 23.33 C ATOM 1273 O LYS A 78 6.368 13.952 -3.815 1.00 74.43 O ATOM 1274 CB LYS A 78 4.604 16.091 -2.726 1.00 34.05 C ATOM 1275 CG LYS A 78 5.541 16.651 -1.633 1.00 64.01 C ATOM 1276 CD LYS A 78 5.616 18.199 -1.654 1.00 61.50 C ATOM 1277 CE LYS A 78 6.527 18.766 -0.553 1.00 54.51 C ATOM 1278 NZ LYS A 78 6.104 18.334 0.806 1.00 21.10 N ATOM 0 H LYS A 78 3.961 14.822 -0.593 1.00 53.43 H new ATOM 0 HA LYS A 78 3.660 14.303 -3.467 1.00 62.43 H new ATOM 0 HB2 LYS A 78 5.033 16.320 -3.701 1.00 34.05 H new ATOM 0 HB3 LYS A 78 3.650 16.615 -2.667 1.00 34.05 H new ATOM 0 HG2 LYS A 78 5.192 16.320 -0.655 1.00 64.01 H new ATOM 0 HG3 LYS A 78 6.541 16.240 -1.770 1.00 64.01 H new ATOM 0 HD2 LYS A 78 5.982 18.527 -2.627 1.00 61.50 H new ATOM 0 HD3 LYS A 78 4.613 18.609 -1.536 1.00 61.50 H new ATOM 0 HE2 LYS A 78 7.553 18.444 -0.732 1.00 54.51 H new ATOM 0 HE3 LYS A 78 6.521 19.855 -0.604 1.00 54.51 H new ATOM 0 HZ1 LYS A 78 6.635 18.870 1.522 1.00 21.10 H new ATOM 0 HZ2 LYS A 78 5.086 18.512 0.926 1.00 21.10 H new ATOM 0 HZ3 LYS A 78 6.294 17.318 0.922 1.00 21.10 H new ATOM 1292 N GLU A 79 5.864 12.790 -1.928 1.00 44.14 N ATOM 1293 CA GLU A 79 6.968 11.827 -2.027 1.00 70.00 C ATOM 1294 C GLU A 79 6.623 10.737 -3.045 1.00 33.44 C ATOM 1295 O GLU A 79 5.477 10.283 -3.123 1.00 70.43 O ATOM 1296 CB GLU A 79 7.252 11.195 -0.646 1.00 72.25 C ATOM 1297 CG GLU A 79 7.586 12.218 0.448 1.00 35.40 C ATOM 1298 CD GLU A 79 7.857 11.561 1.799 1.00 63.23 C ATOM 1299 OE1 GLU A 79 6.899 11.356 2.580 1.00 11.01 O ATOM 1300 OE2 GLU A 79 9.032 11.248 2.086 1.00 62.13 O ATOM 0 H GLU A 79 5.291 12.669 -1.093 1.00 44.14 H new ATOM 0 HA GLU A 79 7.863 12.352 -2.361 1.00 70.00 H new ATOM 0 HB2 GLU A 79 6.382 10.617 -0.336 1.00 72.25 H new ATOM 0 HB3 GLU A 79 8.082 10.495 -0.741 1.00 72.25 H new ATOM 0 HG2 GLU A 79 8.460 12.795 0.146 1.00 35.40 H new ATOM 0 HG3 GLU A 79 6.759 12.921 0.549 1.00 35.40 H new ATOM 1307 N ARG A 80 7.632 10.337 -3.818 1.00 1.14 N ATOM 1308 CA ARG A 80 7.503 9.309 -4.855 1.00 3.50 C ATOM 1309 C ARG A 80 8.367 8.093 -4.477 1.00 72.51 C ATOM 1310 O ARG A 80 9.446 8.265 -3.896 1.00 73.45 O ATOM 1311 CB ARG A 80 7.929 9.890 -6.232 1.00 23.23 C ATOM 1312 CG ARG A 80 7.101 11.107 -6.672 1.00 54.21 C ATOM 1313 CD ARG A 80 7.494 11.634 -8.056 1.00 25.04 C ATOM 1314 NE ARG A 80 7.191 10.668 -9.127 1.00 1.32 N ATOM 1315 CZ ARG A 80 6.936 10.989 -10.405 1.00 62.44 C ATOM 1316 NH1 ARG A 80 6.929 12.254 -10.808 1.00 13.31 N ATOM 1317 NH2 ARG A 80 6.705 10.035 -11.288 1.00 34.45 N ATOM 0 H ARG A 80 8.574 10.721 -3.742 1.00 1.14 H new ATOM 0 HA ARG A 80 6.464 8.988 -4.930 1.00 3.50 H new ATOM 0 HB2 ARG A 80 8.980 10.174 -6.187 1.00 23.23 H new ATOM 0 HB3 ARG A 80 7.842 9.110 -6.988 1.00 23.23 H new ATOM 0 HG2 ARG A 80 6.045 10.837 -6.679 1.00 54.21 H new ATOM 0 HG3 ARG A 80 7.221 11.905 -5.939 1.00 54.21 H new ATOM 0 HD2 ARG A 80 6.966 12.567 -8.251 1.00 25.04 H new ATOM 0 HD3 ARG A 80 8.560 11.863 -8.066 1.00 25.04 H new ATOM 0 HE ARG A 80 7.174 9.679 -8.878 1.00 1.32 H new ATOM 0 HH11 ARG A 80 7.120 13.003 -10.142 1.00 13.31 H new ATOM 0 HH12 ARG A 80 6.733 12.477 -11.784 1.00 13.31 H new ATOM 0 HH21 ARG A 80 6.721 9.057 -10.998 1.00 34.45 H new ATOM 0 HH22 ARG A 80 6.511 10.276 -12.260 1.00 34.45 H new ATOM 1331 N PRO A 81 7.894 6.842 -4.763 1.00 63.25 N ATOM 1332 CA PRO A 81 8.705 5.630 -4.544 1.00 43.51 C ATOM 1333 C PRO A 81 9.871 5.568 -5.564 1.00 24.15 C ATOM 1334 O PRO A 81 9.669 5.539 -6.790 1.00 55.13 O ATOM 1335 CB PRO A 81 7.679 4.479 -4.712 1.00 41.25 C ATOM 1336 CG PRO A 81 6.593 5.041 -5.577 1.00 71.15 C ATOM 1337 CD PRO A 81 6.541 6.525 -5.291 1.00 31.35 C ATOM 0 HA PRO A 81 9.194 5.588 -3.571 1.00 43.51 H new ATOM 0 HB2 PRO A 81 8.139 3.606 -5.176 1.00 41.25 H new ATOM 0 HB3 PRO A 81 7.287 4.158 -3.747 1.00 41.25 H new ATOM 0 HG2 PRO A 81 6.802 4.856 -6.631 1.00 71.15 H new ATOM 0 HG3 PRO A 81 5.636 4.569 -5.354 1.00 71.15 H new ATOM 0 HD2 PRO A 81 6.321 7.097 -6.193 1.00 31.35 H new ATOM 0 HD3 PRO A 81 5.764 6.764 -4.565 1.00 31.35 H new ATOM 1345 N ARG A 82 11.090 5.571 -5.019 1.00 4.50 N ATOM 1346 CA ARG A 82 12.352 5.628 -5.775 1.00 71.02 C ATOM 1347 C ARG A 82 13.235 4.438 -5.359 1.00 13.13 C ATOM 1348 O ARG A 82 12.967 3.814 -4.333 1.00 25.11 O ATOM 1349 CB ARG A 82 13.051 6.996 -5.480 1.00 73.43 C ATOM 1350 CG ARG A 82 14.441 7.181 -6.125 1.00 14.20 C ATOM 1351 CD ARG A 82 15.095 8.532 -5.811 1.00 5.12 C ATOM 1352 NE ARG A 82 16.432 8.639 -6.412 1.00 75.30 N ATOM 1353 CZ ARG A 82 17.309 9.627 -6.173 1.00 3.50 C ATOM 1354 NH1 ARG A 82 16.994 10.633 -5.353 1.00 75.34 N ATOM 1355 NH2 ARG A 82 18.505 9.599 -6.753 1.00 12.42 N ATOM 0 H ARG A 82 11.235 5.533 -4.010 1.00 4.50 H new ATOM 0 HA ARG A 82 12.172 5.559 -6.848 1.00 71.02 H new ATOM 0 HB2 ARG A 82 12.400 7.799 -5.824 1.00 73.43 H new ATOM 0 HB3 ARG A 82 13.152 7.108 -4.400 1.00 73.43 H new ATOM 0 HG2 ARG A 82 15.099 6.382 -5.784 1.00 14.20 H new ATOM 0 HG3 ARG A 82 14.346 7.076 -7.206 1.00 14.20 H new ATOM 0 HD2 ARG A 82 14.463 9.338 -6.183 1.00 5.12 H new ATOM 0 HD3 ARG A 82 15.170 8.658 -4.731 1.00 5.12 H new ATOM 0 HE ARG A 82 16.716 7.905 -7.061 1.00 75.30 H new ATOM 0 HH11 ARG A 82 16.080 10.656 -4.901 1.00 75.34 H new ATOM 0 HH12 ARG A 82 17.668 11.379 -5.178 1.00 75.34 H new ATOM 0 HH21 ARG A 82 18.752 8.830 -7.376 1.00 12.42 H new ATOM 0 HH22 ARG A 82 19.176 10.347 -6.575 1.00 12.42 H new ATOM 1369 N LEU A 83 14.255 4.094 -6.179 1.00 14.23 N ATOM 1370 CA LEU A 83 15.250 3.055 -5.843 1.00 11.41 C ATOM 1371 C LEU A 83 15.806 3.271 -4.414 1.00 55.43 C ATOM 1372 O LEU A 83 16.446 4.290 -4.137 1.00 12.20 O ATOM 1373 CB LEU A 83 16.410 3.066 -6.873 1.00 43.00 C ATOM 1374 CG LEU A 83 17.547 2.017 -6.629 1.00 54.44 C ATOM 1375 CD1 LEU A 83 17.019 0.569 -6.742 1.00 10.00 C ATOM 1376 CD2 LEU A 83 18.753 2.272 -7.564 1.00 10.11 C ATOM 0 H LEU A 83 14.409 4.529 -7.089 1.00 14.23 H new ATOM 0 HA LEU A 83 14.755 2.084 -5.879 1.00 11.41 H new ATOM 0 HB2 LEU A 83 15.992 2.896 -7.865 1.00 43.00 H new ATOM 0 HB3 LEU A 83 16.855 4.061 -6.881 1.00 43.00 H new ATOM 0 HG LEU A 83 17.901 2.143 -5.606 1.00 54.44 H new ATOM 0 HD11 LEU A 83 17.836 -0.131 -6.567 1.00 10.00 H new ATOM 0 HD12 LEU A 83 16.237 0.408 -6.000 1.00 10.00 H new ATOM 0 HD13 LEU A 83 16.611 0.407 -7.740 1.00 10.00 H new ATOM 0 HD21 LEU A 83 19.526 1.528 -7.372 1.00 10.11 H new ATOM 0 HD22 LEU A 83 18.430 2.199 -8.603 1.00 10.11 H new ATOM 0 HD23 LEU A 83 19.154 3.268 -7.378 1.00 10.11 H new ATOM 1388 N GLY A 84 15.467 2.345 -3.504 1.00 23.14 N ATOM 1389 CA GLY A 84 15.876 2.429 -2.098 1.00 50.15 C ATOM 1390 C GLY A 84 14.823 3.106 -1.218 1.00 22.22 C ATOM 1391 O GLY A 84 14.635 2.720 -0.061 1.00 4.45 O ATOM 0 H GLY A 84 14.905 1.522 -3.723 1.00 23.14 H new ATOM 0 HA2 GLY A 84 16.070 1.425 -1.719 1.00 50.15 H new ATOM 0 HA3 GLY A 84 16.813 2.982 -2.028 1.00 50.15 H new ATOM 1395 N LYS A 85 14.118 4.101 -1.788 1.00 65.35 N ATOM 1396 CA LYS A 85 13.084 4.880 -1.085 1.00 22.12 C ATOM 1397 C LYS A 85 11.692 4.232 -1.263 1.00 61.41 C ATOM 1398 O LYS A 85 11.070 4.341 -2.326 1.00 15.11 O ATOM 1399 CB LYS A 85 13.069 6.343 -1.631 1.00 33.32 C ATOM 1400 CG LYS A 85 11.974 7.255 -1.014 1.00 31.43 C ATOM 1401 CD LYS A 85 11.984 8.689 -1.600 1.00 52.13 C ATOM 1402 CE LYS A 85 10.904 9.586 -0.970 1.00 15.13 C ATOM 1403 NZ LYS A 85 11.088 9.728 0.506 1.00 24.13 N ATOM 0 H LYS A 85 14.252 4.388 -2.757 1.00 65.35 H new ATOM 0 HA LYS A 85 13.319 4.893 -0.021 1.00 22.12 H new ATOM 0 HB2 LYS A 85 14.044 6.795 -1.448 1.00 33.32 H new ATOM 0 HB3 LYS A 85 12.930 6.312 -2.712 1.00 33.32 H new ATOM 0 HG2 LYS A 85 10.996 6.805 -1.184 1.00 31.43 H new ATOM 0 HG3 LYS A 85 12.118 7.308 0.065 1.00 31.43 H new ATOM 0 HD2 LYS A 85 12.964 9.138 -1.440 1.00 52.13 H new ATOM 0 HD3 LYS A 85 11.829 8.640 -2.678 1.00 52.13 H new ATOM 0 HE2 LYS A 85 10.933 10.571 -1.436 1.00 15.13 H new ATOM 0 HE3 LYS A 85 9.919 9.166 -1.174 1.00 15.13 H new ATOM 0 HZ1 LYS A 85 10.415 10.431 0.874 1.00 24.13 H new ATOM 0 HZ2 LYS A 85 10.917 8.811 0.967 1.00 24.13 H new ATOM 0 HZ3 LYS A 85 12.059 10.041 0.706 1.00 24.13 H new ATOM 1417 N ALA A 86 11.217 3.544 -0.221 1.00 24.23 N ATOM 1418 CA ALA A 86 9.833 3.043 -0.156 1.00 75.11 C ATOM 1419 C ALA A 86 8.953 4.074 0.555 1.00 54.32 C ATOM 1420 O ALA A 86 9.377 4.663 1.562 1.00 73.54 O ATOM 1421 CB ALA A 86 9.773 1.693 0.571 1.00 33.32 C ATOM 0 H ALA A 86 11.776 3.317 0.601 1.00 24.23 H new ATOM 0 HA ALA A 86 9.464 2.891 -1.170 1.00 75.11 H new ATOM 0 HB1 ALA A 86 8.741 1.344 0.606 1.00 33.32 H new ATOM 0 HB2 ALA A 86 10.384 0.965 0.038 1.00 33.32 H new ATOM 0 HB3 ALA A 86 10.151 1.810 1.587 1.00 33.32 H new ATOM 1427 N VAL A 87 7.745 4.314 0.021 1.00 40.44 N ATOM 1428 CA VAL A 87 6.759 5.198 0.659 1.00 73.44 C ATOM 1429 C VAL A 87 6.112 4.428 1.834 1.00 70.04 C ATOM 1430 O VAL A 87 5.108 3.726 1.669 1.00 33.41 O ATOM 1431 CB VAL A 87 5.689 5.709 -0.390 1.00 54.11 C ATOM 1432 CG1 VAL A 87 4.621 6.620 0.251 1.00 62.44 C ATOM 1433 CG2 VAL A 87 6.382 6.421 -1.577 1.00 2.51 C ATOM 0 H VAL A 87 7.427 3.904 -0.857 1.00 40.44 H new ATOM 0 HA VAL A 87 7.247 6.092 1.047 1.00 73.44 H new ATOM 0 HB VAL A 87 5.167 4.829 -0.766 1.00 54.11 H new ATOM 0 HG11 VAL A 87 3.912 6.942 -0.512 1.00 62.44 H new ATOM 0 HG12 VAL A 87 4.092 6.069 1.028 1.00 62.44 H new ATOM 0 HG13 VAL A 87 5.104 7.493 0.690 1.00 62.44 H new ATOM 0 HG21 VAL A 87 5.628 6.764 -2.286 1.00 2.51 H new ATOM 0 HG22 VAL A 87 6.949 7.276 -1.208 1.00 2.51 H new ATOM 0 HG23 VAL A 87 7.058 5.725 -2.074 1.00 2.51 H new ATOM 1443 N SER A 88 6.756 4.531 3.013 1.00 71.31 N ATOM 1444 CA SER A 88 6.371 3.785 4.216 1.00 11.22 C ATOM 1445 C SER A 88 5.236 4.528 4.932 1.00 31.02 C ATOM 1446 O SER A 88 5.450 5.607 5.493 1.00 42.41 O ATOM 1447 CB SER A 88 7.592 3.603 5.150 1.00 60.15 C ATOM 1448 OG SER A 88 7.284 2.765 6.255 1.00 21.54 O ATOM 0 H SER A 88 7.563 5.139 3.153 1.00 71.31 H new ATOM 0 HA SER A 88 6.018 2.793 3.933 1.00 11.22 H new ATOM 0 HB2 SER A 88 8.421 3.174 4.587 1.00 60.15 H new ATOM 0 HB3 SER A 88 7.923 4.577 5.512 1.00 60.15 H new ATOM 0 HG SER A 88 6.753 3.267 6.908 1.00 21.54 H new ATOM 1454 N ILE A 89 4.032 3.954 4.860 1.00 12.52 N ATOM 1455 CA ILE A 89 2.816 4.522 5.447 1.00 73.03 C ATOM 1456 C ILE A 89 2.664 4.016 6.898 1.00 63.31 C ATOM 1457 O ILE A 89 2.405 2.825 7.091 1.00 41.42 O ATOM 1458 CB ILE A 89 1.561 4.074 4.612 1.00 43.14 C ATOM 1459 CG1 ILE A 89 1.741 4.440 3.105 1.00 33.43 C ATOM 1460 CG2 ILE A 89 0.245 4.652 5.195 1.00 32.03 C ATOM 1461 CD1 ILE A 89 0.717 3.818 2.182 1.00 31.05 C ATOM 0 H ILE A 89 3.873 3.066 4.384 1.00 12.52 H new ATOM 0 HA ILE A 89 2.888 5.610 5.438 1.00 73.03 H new ATOM 0 HB ILE A 89 1.482 2.989 4.683 1.00 43.14 H new ATOM 0 HG12 ILE A 89 1.696 5.524 2.999 1.00 33.43 H new ATOM 0 HG13 ILE A 89 2.736 4.130 2.785 1.00 33.43 H new ATOM 0 HG21 ILE A 89 -0.598 4.319 4.590 1.00 32.03 H new ATOM 0 HG22 ILE A 89 0.117 4.303 6.219 1.00 32.03 H new ATOM 0 HG23 ILE A 89 0.291 5.741 5.186 1.00 32.03 H new ATOM 0 HD11 ILE A 89 0.918 4.126 1.156 1.00 31.05 H new ATOM 0 HD12 ILE A 89 0.775 2.732 2.253 1.00 31.05 H new ATOM 0 HD13 ILE A 89 -0.281 4.148 2.471 1.00 31.05 H new ATOM 1473 N PRO A 90 2.848 4.888 7.941 1.00 43.22 N ATOM 1474 CA PRO A 90 2.583 4.493 9.340 1.00 11.35 C ATOM 1475 C PRO A 90 1.070 4.271 9.555 1.00 40.01 C ATOM 1476 O PRO A 90 0.276 5.217 9.463 1.00 44.21 O ATOM 1477 CB PRO A 90 3.143 5.698 10.170 1.00 22.10 C ATOM 1478 CG PRO A 90 3.981 6.486 9.200 1.00 74.42 C ATOM 1479 CD PRO A 90 3.328 6.286 7.855 1.00 25.33 C ATOM 0 HA PRO A 90 3.050 3.552 9.633 1.00 11.35 H new ATOM 0 HB2 PRO A 90 2.335 6.306 10.577 1.00 22.10 H new ATOM 0 HB3 PRO A 90 3.738 5.352 11.015 1.00 22.10 H new ATOM 0 HG2 PRO A 90 4.008 7.541 9.471 1.00 74.42 H new ATOM 0 HG3 PRO A 90 5.012 6.132 9.193 1.00 74.42 H new ATOM 0 HD2 PRO A 90 2.510 6.987 7.692 1.00 25.33 H new ATOM 0 HD3 PRO A 90 4.034 6.424 7.036 1.00 25.33 H new ATOM 1487 N LEU A 91 0.679 3.005 9.796 1.00 1.40 N ATOM 1488 CA LEU A 91 -0.728 2.642 9.994 1.00 72.35 C ATOM 1489 C LEU A 91 -1.093 2.872 11.463 1.00 24.32 C ATOM 1490 O LEU A 91 -0.805 2.042 12.338 1.00 74.24 O ATOM 1491 CB LEU A 91 -0.991 1.180 9.552 1.00 13.10 C ATOM 1492 CG LEU A 91 -0.665 0.841 8.062 1.00 45.21 C ATOM 1493 CD1 LEU A 91 -1.049 -0.616 7.735 1.00 51.22 C ATOM 1494 CD2 LEU A 91 -1.326 1.841 7.088 1.00 15.35 C ATOM 0 H LEU A 91 1.324 2.217 9.857 1.00 1.40 H new ATOM 0 HA LEU A 91 -1.364 3.271 9.372 1.00 72.35 H new ATOM 0 HB2 LEU A 91 -0.405 0.518 10.190 1.00 13.10 H new ATOM 0 HB3 LEU A 91 -2.041 0.951 9.734 1.00 13.10 H new ATOM 0 HG LEU A 91 0.412 0.939 7.927 1.00 45.21 H new ATOM 0 HD11 LEU A 91 -0.813 -0.829 6.692 1.00 51.22 H new ATOM 0 HD12 LEU A 91 -0.489 -1.293 8.380 1.00 51.22 H new ATOM 0 HD13 LEU A 91 -2.117 -0.757 7.901 1.00 51.22 H new ATOM 0 HD21 LEU A 91 -1.075 1.570 6.063 1.00 15.35 H new ATOM 0 HD22 LEU A 91 -2.408 1.813 7.216 1.00 15.35 H new ATOM 0 HD23 LEU A 91 -0.962 2.847 7.297 1.00 15.35 H new ATOM 1506 N ASP A 92 -1.665 4.052 11.714 1.00 1.02 N ATOM 1507 CA ASP A 92 -2.053 4.504 13.054 1.00 43.42 C ATOM 1508 C ASP A 92 -3.293 3.735 13.547 1.00 32.41 C ATOM 1509 O ASP A 92 -4.437 4.102 13.263 1.00 34.12 O ATOM 1510 CB ASP A 92 -2.279 6.046 13.040 1.00 20.20 C ATOM 1511 CG ASP A 92 -2.862 6.612 14.351 1.00 15.12 C ATOM 1512 OD1 ASP A 92 -2.278 6.375 15.424 1.00 54.34 O ATOM 1513 OD2 ASP A 92 -3.901 7.308 14.307 1.00 25.22 O ATOM 0 H ASP A 92 -1.875 4.731 10.982 1.00 1.02 H new ATOM 0 HA ASP A 92 -1.250 4.291 13.760 1.00 43.42 H new ATOM 0 HB2 ASP A 92 -1.329 6.539 12.835 1.00 20.20 H new ATOM 0 HB3 ASP A 92 -2.951 6.296 12.219 1.00 20.20 H new ATOM 1518 N LEU A 93 -3.045 2.609 14.232 1.00 14.11 N ATOM 1519 CA LEU A 93 -4.106 1.746 14.786 1.00 74.30 C ATOM 1520 C LEU A 93 -4.233 1.962 16.308 1.00 22.51 C ATOM 1521 O LEU A 93 -4.673 1.060 17.024 1.00 62.15 O ATOM 1522 CB LEU A 93 -3.788 0.250 14.474 1.00 14.21 C ATOM 1523 CG LEU A 93 -3.460 -0.120 12.990 1.00 10.11 C ATOM 1524 CD1 LEU A 93 -3.314 -1.650 12.825 1.00 14.33 C ATOM 1525 CD2 LEU A 93 -4.493 0.466 12.002 1.00 3.52 C ATOM 0 H LEU A 93 -2.102 2.268 14.419 1.00 14.11 H new ATOM 0 HA LEU A 93 -5.056 2.010 14.321 1.00 74.30 H new ATOM 0 HB2 LEU A 93 -2.942 -0.051 15.091 1.00 14.21 H new ATOM 0 HB3 LEU A 93 -4.642 -0.349 14.790 1.00 14.21 H new ATOM 0 HG LEU A 93 -2.502 0.337 12.743 1.00 10.11 H new ATOM 0 HD11 LEU A 93 -3.086 -1.884 11.785 1.00 14.33 H new ATOM 0 HD12 LEU A 93 -2.507 -2.009 13.463 1.00 14.33 H new ATOM 0 HD13 LEU A 93 -4.246 -2.137 13.110 1.00 14.33 H new ATOM 0 HD21 LEU A 93 -4.224 0.183 10.984 1.00 3.52 H new ATOM 0 HD22 LEU A 93 -5.483 0.076 12.237 1.00 3.52 H new ATOM 0 HD23 LEU A 93 -4.501 1.553 12.086 1.00 3.52 H new