USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 49 LYS NZ :NH3+ -178:sc= 1.43 (180deg=0.659) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0.695 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 43 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Set 3.1: A 30 THR OG1 : rot -68:sc= 0.239 USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= -0.568 USER MOD Set 4.1: A 20 LYS NZ :NH3+ -160:sc= 1.37 (180deg=0.47) USER MOD Set 4.2: A 77 ASN : amide:sc= 0.8 K(o=2.2,f=-1.1) USER MOD Single : A 9 THR OG1 : rot -118:sc= 0.245 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= 0.63 (180deg=0.0385) USER MOD Single : A 23 GLN : amide:sc= 0.256 K(o=0.26,f=-5.3!) USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.769 (180deg=-1.99!) USER MOD Single : A 37 GLN : amide:sc= -0.594 K(o=-0.59,f=-2.7!) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0113) USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= 1.25 (180deg=0.258) USER MOD Single : A 48 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.8!) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00683) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.235 F(o=-0.76,f=-0.24) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0429 (180deg=-0.33) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 68 ASN : amide:sc=-0.00493 X(o=-0.0049,f=-0.37) USER MOD Single : A 70 GLN : amide:sc= -0.612 K(o=-0.61,f=-4.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -55:sc= -0.144 USER MOD Single : A 82 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.057) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 1.098 9.946 -7.303 1.00 43.31 N ATOM 28 CA ARG A 3 0.278 8.732 -7.157 1.00 71.20 C ATOM 29 C ARG A 3 0.496 8.137 -5.755 1.00 54.02 C ATOM 30 O ARG A 3 1.639 7.904 -5.345 1.00 54.22 O ATOM 31 CB ARG A 3 0.633 7.691 -8.266 1.00 52.22 C ATOM 32 CG ARG A 3 -0.054 6.302 -8.142 1.00 32.04 C ATOM 33 CD ARG A 3 -1.596 6.359 -8.119 1.00 61.45 C ATOM 34 NE ARG A 3 -2.160 6.940 -9.349 1.00 41.41 N ATOM 35 CZ ARG A 3 -3.465 7.211 -9.561 1.00 63.53 C ATOM 36 NH1 ARG A 3 -4.386 6.962 -8.632 1.00 72.33 N ATOM 37 NH2 ARG A 3 -3.836 7.747 -10.716 1.00 50.02 N ATOM 0 HA ARG A 3 -0.774 8.992 -7.273 1.00 71.20 H new ATOM 0 HB2 ARG A 3 0.372 8.118 -9.234 1.00 52.22 H new ATOM 0 HB3 ARG A 3 1.713 7.542 -8.264 1.00 52.22 H new ATOM 0 HG2 ARG A 3 0.263 5.677 -8.977 1.00 32.04 H new ATOM 0 HG3 ARG A 3 0.294 5.817 -7.230 1.00 32.04 H new ATOM 0 HD2 ARG A 3 -1.991 5.352 -7.983 1.00 61.45 H new ATOM 0 HD3 ARG A 3 -1.921 6.948 -7.261 1.00 61.45 H new ATOM 0 HE ARG A 3 -1.510 7.156 -10.104 1.00 41.41 H new ATOM 0 HH11 ARG A 3 -4.111 6.558 -7.737 1.00 72.33 H new ATOM 0 HH12 ARG A 3 -5.366 7.176 -8.816 1.00 72.33 H new ATOM 0 HH21 ARG A 3 -3.138 7.950 -11.432 1.00 50.02 H new ATOM 0 HH22 ARG A 3 -4.819 7.957 -10.889 1.00 50.02 H new ATOM 51 N LEU A 4 -0.607 7.935 -5.022 1.00 14.22 N ATOM 52 CA LEU A 4 -0.604 7.253 -3.725 1.00 74.22 C ATOM 53 C LEU A 4 -1.173 5.840 -3.927 1.00 62.23 C ATOM 54 O LEU A 4 -2.319 5.683 -4.369 1.00 41.14 O ATOM 55 CB LEU A 4 -1.442 8.051 -2.683 1.00 31.14 C ATOM 56 CG LEU A 4 -1.413 7.512 -1.216 1.00 23.33 C ATOM 57 CD1 LEU A 4 0.020 7.447 -0.669 1.00 2.33 C ATOM 58 CD2 LEU A 4 -2.305 8.357 -0.287 1.00 24.03 C ATOM 0 H LEU A 4 -1.533 8.244 -5.317 1.00 14.22 H new ATOM 0 HA LEU A 4 0.413 7.188 -3.337 1.00 74.22 H new ATOM 0 HB2 LEU A 4 -1.088 9.082 -2.676 1.00 31.14 H new ATOM 0 HB3 LEU A 4 -2.478 8.072 -3.020 1.00 31.14 H new ATOM 0 HG LEU A 4 -1.813 6.498 -1.241 1.00 23.33 H new ATOM 0 HD11 LEU A 4 0.003 7.068 0.353 1.00 2.33 H new ATOM 0 HD12 LEU A 4 0.618 6.782 -1.293 1.00 2.33 H new ATOM 0 HD13 LEU A 4 0.459 8.445 -0.678 1.00 2.33 H new ATOM 0 HD21 LEU A 4 -2.261 7.954 0.725 1.00 24.03 H new ATOM 0 HD22 LEU A 4 -1.952 9.388 -0.283 1.00 24.03 H new ATOM 0 HD23 LEU A 4 -3.334 8.327 -0.645 1.00 24.03 H new ATOM 70 N VAL A 5 -0.347 4.819 -3.648 1.00 0.24 N ATOM 71 CA VAL A 5 -0.741 3.405 -3.765 1.00 44.20 C ATOM 72 C VAL A 5 -0.783 2.779 -2.369 1.00 24.32 C ATOM 73 O VAL A 5 0.199 2.811 -1.633 1.00 73.11 O ATOM 74 CB VAL A 5 0.219 2.589 -4.719 1.00 43.52 C ATOM 75 CG1 VAL A 5 -0.049 1.060 -4.657 1.00 54.33 C ATOM 76 CG2 VAL A 5 0.102 3.106 -6.173 1.00 2.13 C ATOM 0 H VAL A 5 0.615 4.951 -3.334 1.00 0.24 H new ATOM 0 HA VAL A 5 -1.731 3.364 -4.218 1.00 44.20 H new ATOM 0 HB VAL A 5 1.238 2.748 -4.367 1.00 43.52 H new ATOM 0 HG11 VAL A 5 0.635 0.543 -5.330 1.00 54.33 H new ATOM 0 HG12 VAL A 5 0.106 0.704 -3.638 1.00 54.33 H new ATOM 0 HG13 VAL A 5 -1.077 0.858 -4.960 1.00 54.33 H new ATOM 0 HG21 VAL A 5 0.769 2.534 -6.817 1.00 2.13 H new ATOM 0 HG22 VAL A 5 -0.925 2.989 -6.519 1.00 2.13 H new ATOM 0 HG23 VAL A 5 0.379 4.160 -6.208 1.00 2.13 H new ATOM 86 N VAL A 6 -1.946 2.230 -2.022 1.00 14.33 N ATOM 87 CA VAL A 6 -2.167 1.515 -0.766 1.00 5.11 C ATOM 88 C VAL A 6 -2.013 0.010 -1.044 1.00 54.32 C ATOM 89 O VAL A 6 -2.380 -0.461 -2.117 1.00 0.53 O ATOM 90 CB VAL A 6 -3.595 1.841 -0.196 1.00 53.51 C ATOM 91 CG1 VAL A 6 -3.872 1.114 1.139 1.00 11.03 C ATOM 92 CG2 VAL A 6 -3.798 3.373 -0.070 1.00 44.43 C ATOM 0 H VAL A 6 -2.775 2.270 -2.615 1.00 14.33 H new ATOM 0 HA VAL A 6 -1.440 1.827 -0.017 1.00 5.11 H new ATOM 0 HB VAL A 6 -4.327 1.462 -0.909 1.00 53.51 H new ATOM 0 HG11 VAL A 6 -4.870 1.371 1.493 1.00 11.03 H new ATOM 0 HG12 VAL A 6 -3.807 0.037 0.987 1.00 11.03 H new ATOM 0 HG13 VAL A 6 -3.134 1.421 1.880 1.00 11.03 H new ATOM 0 HG21 VAL A 6 -4.793 3.577 0.326 1.00 44.43 H new ATOM 0 HG22 VAL A 6 -3.047 3.785 0.604 1.00 44.43 H new ATOM 0 HG23 VAL A 6 -3.697 3.835 -1.052 1.00 44.43 H new ATOM 102 N VAL A 7 -1.412 -0.727 -0.111 1.00 12.42 N ATOM 103 CA VAL A 7 -1.200 -2.170 -0.235 1.00 14.13 C ATOM 104 C VAL A 7 -1.788 -2.850 1.004 1.00 53.24 C ATOM 105 O VAL A 7 -1.460 -2.477 2.131 1.00 41.22 O ATOM 106 CB VAL A 7 0.325 -2.522 -0.361 1.00 53.12 C ATOM 107 CG1 VAL A 7 0.544 -4.029 -0.622 1.00 45.31 C ATOM 108 CG2 VAL A 7 1.033 -1.642 -1.424 1.00 44.35 C ATOM 0 H VAL A 7 -1.055 -0.336 0.761 1.00 12.42 H new ATOM 0 HA VAL A 7 -1.692 -2.523 -1.141 1.00 14.13 H new ATOM 0 HB VAL A 7 0.788 -2.294 0.599 1.00 53.12 H new ATOM 0 HG11 VAL A 7 1.612 -4.233 -0.703 1.00 45.31 H new ATOM 0 HG12 VAL A 7 0.126 -4.606 0.203 1.00 45.31 H new ATOM 0 HG13 VAL A 7 0.049 -4.313 -1.551 1.00 45.31 H new ATOM 0 HG21 VAL A 7 2.086 -1.917 -1.481 1.00 44.35 H new ATOM 0 HG22 VAL A 7 0.565 -1.798 -2.396 1.00 44.35 H new ATOM 0 HG23 VAL A 7 0.946 -0.592 -1.144 1.00 44.35 H new ATOM 118 N VAL A 8 -2.647 -3.843 0.781 1.00 32.42 N ATOM 119 CA VAL A 8 -3.345 -4.588 1.842 1.00 30.33 C ATOM 120 C VAL A 8 -3.081 -6.083 1.634 1.00 32.51 C ATOM 121 O VAL A 8 -2.575 -6.471 0.581 1.00 1.03 O ATOM 122 CB VAL A 8 -4.891 -4.294 1.819 1.00 70.30 C ATOM 123 CG1 VAL A 8 -5.180 -2.789 2.054 1.00 64.55 C ATOM 124 CG2 VAL A 8 -5.534 -4.791 0.503 1.00 5.34 C ATOM 0 H VAL A 8 -2.886 -4.163 -0.158 1.00 32.42 H new ATOM 0 HA VAL A 8 -2.970 -4.272 2.815 1.00 30.33 H new ATOM 0 HB VAL A 8 -5.347 -4.848 2.639 1.00 70.30 H new ATOM 0 HG11 VAL A 8 -6.256 -2.617 2.032 1.00 64.55 H new ATOM 0 HG12 VAL A 8 -4.784 -2.490 3.024 1.00 64.55 H new ATOM 0 HG13 VAL A 8 -4.703 -2.200 1.270 1.00 64.55 H new ATOM 0 HG21 VAL A 8 -6.602 -4.574 0.516 1.00 5.34 H new ATOM 0 HG22 VAL A 8 -5.071 -4.283 -0.343 1.00 5.34 H new ATOM 0 HG23 VAL A 8 -5.383 -5.866 0.408 1.00 5.34 H new ATOM 134 N THR A 9 -3.391 -6.918 2.630 1.00 61.25 N ATOM 135 CA THR A 9 -3.272 -8.388 2.498 1.00 33.52 C ATOM 136 C THR A 9 -4.647 -9.083 2.609 1.00 3.41 C ATOM 137 O THR A 9 -4.722 -10.319 2.659 1.00 73.42 O ATOM 138 CB THR A 9 -2.273 -8.957 3.560 1.00 11.31 C ATOM 139 OG1 THR A 9 -2.613 -8.459 4.863 1.00 33.55 O ATOM 140 CG2 THR A 9 -0.805 -8.600 3.235 1.00 31.53 C ATOM 0 H THR A 9 -3.728 -6.608 3.542 1.00 61.25 H new ATOM 0 HA THR A 9 -2.879 -8.600 1.504 1.00 33.52 H new ATOM 0 HB THR A 9 -2.359 -10.043 3.538 1.00 11.31 H new ATOM 0 HG1 THR A 9 -1.867 -7.931 5.216 1.00 33.55 H new ATOM 0 HG21 THR A 9 -0.151 -9.017 4.001 1.00 31.53 H new ATOM 0 HG22 THR A 9 -0.536 -9.014 2.263 1.00 31.53 H new ATOM 0 HG23 THR A 9 -0.691 -7.516 3.211 1.00 31.53 H new ATOM 148 N SER A 10 -5.735 -8.284 2.606 1.00 4.04 N ATOM 149 CA SER A 10 -7.115 -8.794 2.733 1.00 12.31 C ATOM 150 C SER A 10 -8.091 -7.914 1.915 1.00 62.42 C ATOM 151 O SER A 10 -7.970 -6.676 1.916 1.00 41.52 O ATOM 152 CB SER A 10 -7.519 -8.834 4.225 1.00 13.15 C ATOM 153 OG SER A 10 -6.636 -9.660 4.976 1.00 55.24 O ATOM 0 H SER A 10 -5.681 -7.269 2.516 1.00 4.04 H new ATOM 0 HA SER A 10 -7.164 -9.807 2.333 1.00 12.31 H new ATOM 0 HB2 SER A 10 -7.511 -7.824 4.634 1.00 13.15 H new ATOM 0 HB3 SER A 10 -8.539 -9.208 4.318 1.00 13.15 H new ATOM 0 HG SER A 10 -6.914 -9.666 5.916 1.00 55.24 H new ATOM 159 N GLU A 11 -9.040 -8.574 1.207 1.00 33.42 N ATOM 160 CA GLU A 11 -10.037 -7.901 0.343 1.00 15.31 C ATOM 161 C GLU A 11 -10.920 -6.930 1.141 1.00 2.42 C ATOM 162 O GLU A 11 -11.298 -5.883 0.621 1.00 40.25 O ATOM 163 CB GLU A 11 -10.936 -8.930 -0.392 1.00 63.31 C ATOM 164 CG GLU A 11 -10.182 -9.855 -1.359 1.00 23.55 C ATOM 165 CD GLU A 11 -11.115 -10.763 -2.171 1.00 63.54 C ATOM 166 OE1 GLU A 11 -11.692 -11.701 -1.589 1.00 11.32 O ATOM 167 OE2 GLU A 11 -11.296 -10.528 -3.389 1.00 1.34 O ATOM 0 H GLU A 11 -9.134 -9.590 1.220 1.00 33.42 H new ATOM 0 HA GLU A 11 -9.473 -7.331 -0.395 1.00 15.31 H new ATOM 0 HB2 GLU A 11 -11.449 -9.541 0.350 1.00 63.31 H new ATOM 0 HB3 GLU A 11 -11.704 -8.392 -0.948 1.00 63.31 H new ATOM 0 HG2 GLU A 11 -9.588 -9.249 -2.043 1.00 23.55 H new ATOM 0 HG3 GLU A 11 -9.485 -10.473 -0.793 1.00 23.55 H new ATOM 174 N GLN A 12 -11.221 -7.306 2.404 1.00 34.03 N ATOM 175 CA GLN A 12 -11.996 -6.476 3.355 1.00 2.04 C ATOM 176 C GLN A 12 -11.399 -5.060 3.467 1.00 25.25 C ATOM 177 O GLN A 12 -12.122 -4.063 3.434 1.00 0.55 O ATOM 178 CB GLN A 12 -12.011 -7.143 4.759 1.00 72.31 C ATOM 179 CG GLN A 12 -12.729 -8.496 4.827 1.00 24.11 C ATOM 180 CD GLN A 12 -12.557 -9.190 6.183 1.00 24.11 C ATOM 181 OE1 GLN A 12 -13.361 -9.010 7.103 1.00 72.52 O ATOM 182 NE2 GLN A 12 -11.485 -9.961 6.330 1.00 63.23 N ATOM 0 H GLN A 12 -10.931 -8.202 2.796 1.00 34.03 H new ATOM 0 HA GLN A 12 -13.015 -6.396 2.977 1.00 2.04 H new ATOM 0 HB2 GLN A 12 -10.982 -7.278 5.091 1.00 72.31 H new ATOM 0 HB3 GLN A 12 -12.487 -6.461 5.464 1.00 72.31 H new ATOM 0 HG2 GLN A 12 -13.791 -8.349 4.631 1.00 24.11 H new ATOM 0 HG3 GLN A 12 -12.346 -9.146 4.040 1.00 24.11 H new ATOM 0 HE21 GLN A 12 -10.839 -10.090 5.551 1.00 63.23 H new ATOM 0 HE22 GLN A 12 -11.308 -10.424 7.222 1.00 63.23 H new ATOM 191 N LEU A 13 -10.063 -5.016 3.585 1.00 3.43 N ATOM 192 CA LEU A 13 -9.295 -3.768 3.683 1.00 11.22 C ATOM 193 C LEU A 13 -9.243 -3.040 2.324 1.00 15.03 C ATOM 194 O LEU A 13 -9.374 -1.818 2.272 1.00 73.24 O ATOM 195 CB LEU A 13 -7.856 -4.073 4.178 1.00 51.42 C ATOM 196 CG LEU A 13 -7.722 -4.731 5.584 1.00 31.11 C ATOM 197 CD1 LEU A 13 -6.243 -5.052 5.902 1.00 74.35 C ATOM 198 CD2 LEU A 13 -8.366 -3.847 6.676 1.00 22.32 C ATOM 0 H LEU A 13 -9.482 -5.854 3.615 1.00 3.43 H new ATOM 0 HA LEU A 13 -9.794 -3.114 4.399 1.00 11.22 H new ATOM 0 HB2 LEU A 13 -7.378 -4.728 3.449 1.00 51.42 H new ATOM 0 HB3 LEU A 13 -7.294 -3.139 4.185 1.00 51.42 H new ATOM 0 HG LEU A 13 -8.266 -5.675 5.572 1.00 31.11 H new ATOM 0 HD11 LEU A 13 -6.174 -5.511 6.888 1.00 74.35 H new ATOM 0 HD12 LEU A 13 -5.851 -5.741 5.153 1.00 74.35 H new ATOM 0 HD13 LEU A 13 -5.660 -4.131 5.889 1.00 74.35 H new ATOM 0 HD21 LEU A 13 -8.258 -4.331 7.647 1.00 22.32 H new ATOM 0 HD22 LEU A 13 -7.871 -2.876 6.697 1.00 22.32 H new ATOM 0 HD23 LEU A 13 -9.425 -3.709 6.455 1.00 22.32 H new ATOM 210 N LYS A 14 -9.063 -3.816 1.232 1.00 63.03 N ATOM 211 CA LYS A 14 -8.901 -3.266 -0.138 1.00 43.52 C ATOM 212 C LYS A 14 -10.118 -2.421 -0.561 1.00 31.11 C ATOM 213 O LYS A 14 -9.983 -1.223 -0.875 1.00 11.44 O ATOM 214 CB LYS A 14 -8.682 -4.411 -1.172 1.00 0.04 C ATOM 215 CG LYS A 14 -8.367 -3.909 -2.600 1.00 20.23 C ATOM 216 CD LYS A 14 -8.318 -5.035 -3.652 1.00 62.25 C ATOM 217 CE LYS A 14 -8.038 -4.498 -5.065 1.00 41.22 C ATOM 218 NZ LYS A 14 -8.124 -5.569 -6.091 1.00 12.43 N ATOM 0 H LYS A 14 -9.026 -4.835 1.272 1.00 63.03 H new ATOM 0 HA LYS A 14 -8.022 -2.621 -0.120 1.00 43.52 H new ATOM 0 HB2 LYS A 14 -7.863 -5.045 -0.831 1.00 0.04 H new ATOM 0 HB3 LYS A 14 -9.576 -5.034 -1.205 1.00 0.04 H new ATOM 0 HG2 LYS A 14 -9.122 -3.180 -2.895 1.00 20.23 H new ATOM 0 HG3 LYS A 14 -7.409 -3.390 -2.591 1.00 20.23 H new ATOM 0 HD2 LYS A 14 -7.545 -5.752 -3.378 1.00 62.25 H new ATOM 0 HD3 LYS A 14 -9.266 -5.573 -3.651 1.00 62.25 H new ATOM 0 HE2 LYS A 14 -8.752 -3.710 -5.302 1.00 41.22 H new ATOM 0 HE3 LYS A 14 -7.046 -4.048 -5.092 1.00 41.22 H new ATOM 0 HZ1 LYS A 14 -7.929 -5.167 -7.030 1.00 12.43 H new ATOM 0 HZ2 LYS A 14 -7.425 -6.309 -5.879 1.00 12.43 H new ATOM 0 HZ3 LYS A 14 -9.079 -5.982 -6.083 1.00 12.43 H new ATOM 232 N GLU A 15 -11.298 -3.066 -0.541 1.00 5.23 N ATOM 233 CA GLU A 15 -12.563 -2.459 -0.972 1.00 1.42 C ATOM 234 C GLU A 15 -13.001 -1.342 -0.019 1.00 41.34 C ATOM 235 O GLU A 15 -13.775 -0.485 -0.416 1.00 33.43 O ATOM 236 CB GLU A 15 -13.660 -3.559 -1.154 1.00 23.02 C ATOM 237 CG GLU A 15 -14.013 -4.415 0.096 1.00 51.42 C ATOM 238 CD GLU A 15 -15.135 -3.832 0.979 1.00 33.11 C ATOM 239 OE1 GLU A 15 -16.318 -3.897 0.558 1.00 10.22 O ATOM 240 OE2 GLU A 15 -14.859 -3.340 2.097 1.00 21.23 O ATOM 0 H GLU A 15 -11.398 -4.030 -0.222 1.00 5.23 H new ATOM 0 HA GLU A 15 -12.411 -1.988 -1.943 1.00 1.42 H new ATOM 0 HB2 GLU A 15 -14.572 -3.074 -1.502 1.00 23.02 H new ATOM 0 HB3 GLU A 15 -13.336 -4.234 -1.946 1.00 23.02 H new ATOM 0 HG2 GLU A 15 -14.309 -5.411 -0.234 1.00 51.42 H new ATOM 0 HG3 GLU A 15 -13.116 -4.534 0.703 1.00 51.42 H new ATOM 247 N GLU A 16 -12.487 -1.364 1.228 1.00 21.40 N ATOM 248 CA GLU A 16 -12.744 -0.305 2.225 1.00 64.15 C ATOM 249 C GLU A 16 -11.978 0.992 1.881 1.00 62.02 C ATOM 250 O GLU A 16 -12.556 2.091 1.890 1.00 74.12 O ATOM 251 CB GLU A 16 -12.366 -0.792 3.651 1.00 54.24 C ATOM 252 CG GLU A 16 -12.577 0.255 4.775 1.00 72.51 C ATOM 253 CD GLU A 16 -14.036 0.759 4.891 1.00 11.50 C ATOM 254 OE1 GLU A 16 -14.826 0.159 5.636 1.00 53.21 O ATOM 255 OE2 GLU A 16 -14.394 1.771 4.248 1.00 71.41 O ATOM 0 H GLU A 16 -11.885 -2.113 1.571 1.00 21.40 H new ATOM 0 HA GLU A 16 -13.811 -0.082 2.201 1.00 64.15 H new ATOM 0 HB2 GLU A 16 -12.956 -1.678 3.885 1.00 54.24 H new ATOM 0 HB3 GLU A 16 -11.319 -1.097 3.650 1.00 54.24 H new ATOM 0 HG2 GLU A 16 -12.276 -0.182 5.727 1.00 72.51 H new ATOM 0 HG3 GLU A 16 -11.921 1.107 4.594 1.00 72.51 H new ATOM 262 N VAL A 17 -10.668 0.857 1.611 1.00 10.34 N ATOM 263 CA VAL A 17 -9.815 1.996 1.213 1.00 55.11 C ATOM 264 C VAL A 17 -10.337 2.646 -0.094 1.00 62.25 C ATOM 265 O VAL A 17 -10.332 3.871 -0.222 1.00 12.22 O ATOM 266 CB VAL A 17 -8.302 1.574 1.046 1.00 52.01 C ATOM 267 CG1 VAL A 17 -7.425 2.771 0.596 1.00 30.24 C ATOM 268 CG2 VAL A 17 -7.742 0.943 2.349 1.00 21.14 C ATOM 0 H VAL A 17 -10.173 -0.033 1.661 1.00 10.34 H new ATOM 0 HA VAL A 17 -9.867 2.729 2.018 1.00 55.11 H new ATOM 0 HB VAL A 17 -8.264 0.817 0.262 1.00 52.01 H new ATOM 0 HG11 VAL A 17 -6.390 2.445 0.491 1.00 30.24 H new ATOM 0 HG12 VAL A 17 -7.786 3.147 -0.361 1.00 30.24 H new ATOM 0 HG13 VAL A 17 -7.482 3.564 1.342 1.00 30.24 H new ATOM 0 HG21 VAL A 17 -6.699 0.664 2.199 1.00 21.14 H new ATOM 0 HG22 VAL A 17 -7.811 1.666 3.162 1.00 21.14 H new ATOM 0 HG23 VAL A 17 -8.322 0.056 2.602 1.00 21.14 H new ATOM 278 N ARG A 18 -10.799 1.805 -1.045 1.00 2.24 N ATOM 279 CA ARG A 18 -11.374 2.274 -2.323 1.00 53.33 C ATOM 280 C ARG A 18 -12.831 2.773 -2.163 1.00 75.23 C ATOM 281 O ARG A 18 -13.307 3.571 -2.983 1.00 64.50 O ATOM 282 CB ARG A 18 -11.276 1.169 -3.408 1.00 72.12 C ATOM 283 CG ARG A 18 -9.831 0.747 -3.737 1.00 41.23 C ATOM 284 CD ARG A 18 -9.724 -0.138 -4.989 1.00 33.21 C ATOM 285 NE ARG A 18 -10.237 0.544 -6.188 1.00 74.52 N ATOM 286 CZ ARG A 18 -9.559 1.437 -6.933 1.00 71.34 C ATOM 287 NH1 ARG A 18 -8.318 1.800 -6.628 1.00 55.20 N ATOM 288 NH2 ARG A 18 -10.153 1.995 -7.972 1.00 54.45 N ATOM 0 H ARG A 18 -10.784 0.790 -0.949 1.00 2.24 H new ATOM 0 HA ARG A 18 -10.783 3.130 -2.648 1.00 53.33 H new ATOM 0 HB2 ARG A 18 -11.833 0.294 -3.073 1.00 72.12 H new ATOM 0 HB3 ARG A 18 -11.757 1.524 -4.319 1.00 72.12 H new ATOM 0 HG2 ARG A 18 -9.223 1.640 -3.879 1.00 41.23 H new ATOM 0 HG3 ARG A 18 -9.414 0.210 -2.885 1.00 41.23 H new ATOM 0 HD2 ARG A 18 -8.683 -0.418 -5.148 1.00 33.21 H new ATOM 0 HD3 ARG A 18 -10.281 -1.061 -4.830 1.00 33.21 H new ATOM 0 HE ARG A 18 -11.189 0.321 -6.480 1.00 74.52 H new ATOM 0 HH11 ARG A 18 -7.856 1.400 -5.812 1.00 55.20 H new ATOM 0 HH12 ARG A 18 -7.828 2.479 -7.210 1.00 55.20 H new ATOM 0 HH21 ARG A 18 -11.115 1.748 -8.203 1.00 54.45 H new ATOM 0 HH22 ARG A 18 -9.649 2.673 -8.544 1.00 54.45 H new ATOM 302 N LYS A 19 -13.532 2.289 -1.111 1.00 42.23 N ATOM 303 CA LYS A 19 -14.891 2.767 -0.742 1.00 22.35 C ATOM 304 C LYS A 19 -14.819 4.240 -0.323 1.00 15.03 C ATOM 305 O LYS A 19 -15.620 5.074 -0.782 1.00 33.21 O ATOM 306 CB LYS A 19 -15.489 1.900 0.412 1.00 42.13 C ATOM 307 CG LYS A 19 -16.865 2.335 1.014 1.00 54.40 C ATOM 308 CD LYS A 19 -18.119 2.009 0.146 1.00 51.12 C ATOM 309 CE LYS A 19 -18.337 2.949 -1.058 1.00 55.23 C ATOM 310 NZ LYS A 19 -18.490 4.377 -0.655 1.00 51.21 N ATOM 0 H LYS A 19 -13.176 1.559 -0.494 1.00 42.23 H new ATOM 0 HA LYS A 19 -15.546 2.671 -1.608 1.00 22.35 H new ATOM 0 HB2 LYS A 19 -15.592 0.879 0.045 1.00 42.13 H new ATOM 0 HB3 LYS A 19 -14.762 1.875 1.223 1.00 42.13 H new ATOM 0 HG2 LYS A 19 -16.984 1.854 1.985 1.00 54.40 H new ATOM 0 HG3 LYS A 19 -16.839 3.410 1.192 1.00 54.40 H new ATOM 0 HD2 LYS A 19 -18.033 0.986 -0.221 1.00 51.12 H new ATOM 0 HD3 LYS A 19 -19.003 2.046 0.782 1.00 51.12 H new ATOM 0 HE2 LYS A 19 -17.493 2.858 -1.742 1.00 55.23 H new ATOM 0 HE3 LYS A 19 -19.226 2.633 -1.604 1.00 55.23 H new ATOM 0 HZ1 LYS A 19 -19.104 4.866 -1.337 1.00 51.21 H new ATOM 0 HZ2 LYS A 19 -18.917 4.427 0.292 1.00 51.21 H new ATOM 0 HZ3 LYS A 19 -17.556 4.835 -0.639 1.00 51.21 H new ATOM 324 N LYS A 20 -13.843 4.537 0.545 1.00 73.43 N ATOM 325 CA LYS A 20 -13.552 5.902 0.976 1.00 30.11 C ATOM 326 C LYS A 20 -12.928 6.716 -0.180 1.00 73.14 C ATOM 327 O LYS A 20 -13.338 7.855 -0.437 1.00 62.34 O ATOM 328 CB LYS A 20 -12.594 5.901 2.201 1.00 20.51 C ATOM 329 CG LYS A 20 -13.178 5.304 3.505 1.00 23.22 C ATOM 330 CD LYS A 20 -12.206 5.472 4.698 1.00 65.54 C ATOM 331 CE LYS A 20 -12.814 5.042 6.046 1.00 64.41 C ATOM 332 NZ LYS A 20 -13.117 3.582 6.095 1.00 4.11 N ATOM 0 H LYS A 20 -13.235 3.834 0.966 1.00 73.43 H new ATOM 0 HA LYS A 20 -14.492 6.370 1.269 1.00 30.11 H new ATOM 0 HB2 LYS A 20 -11.696 5.343 1.937 1.00 20.51 H new ATOM 0 HB3 LYS A 20 -12.285 6.927 2.399 1.00 20.51 H new ATOM 0 HG2 LYS A 20 -14.125 5.792 3.736 1.00 23.22 H new ATOM 0 HG3 LYS A 20 -13.392 4.246 3.357 1.00 23.22 H new ATOM 0 HD2 LYS A 20 -11.307 4.886 4.510 1.00 65.54 H new ATOM 0 HD3 LYS A 20 -11.899 6.516 4.763 1.00 65.54 H new ATOM 0 HE2 LYS A 20 -12.122 5.294 6.850 1.00 64.41 H new ATOM 0 HE3 LYS A 20 -13.729 5.606 6.225 1.00 64.41 H new ATOM 0 HZ1 LYS A 20 -13.811 3.397 6.847 1.00 4.11 H new ATOM 0 HZ2 LYS A 20 -13.507 3.278 5.180 1.00 4.11 H new ATOM 0 HZ3 LYS A 20 -12.244 3.053 6.292 1.00 4.11 H new ATOM 346 N PHE A 21 -11.949 6.105 -0.895 1.00 45.21 N ATOM 347 CA PHE A 21 -11.076 6.820 -1.859 1.00 70.44 C ATOM 348 C PHE A 21 -10.889 6.001 -3.160 1.00 75.40 C ATOM 349 O PHE A 21 -9.989 5.153 -3.232 1.00 24.42 O ATOM 350 CB PHE A 21 -9.674 7.116 -1.238 1.00 52.11 C ATOM 351 CG PHE A 21 -9.710 7.701 0.165 1.00 42.04 C ATOM 352 CD1 PHE A 21 -10.280 8.948 0.403 1.00 45.34 C ATOM 353 CD2 PHE A 21 -9.206 6.992 1.250 1.00 14.21 C ATOM 354 CE1 PHE A 21 -10.330 9.466 1.680 1.00 2.34 C ATOM 355 CE2 PHE A 21 -9.257 7.521 2.516 1.00 71.01 C ATOM 356 CZ PHE A 21 -9.820 8.746 2.734 1.00 64.31 C ATOM 0 H PHE A 21 -11.744 5.109 -0.820 1.00 45.21 H new ATOM 0 HA PHE A 21 -11.570 7.762 -2.097 1.00 70.44 H new ATOM 0 HB2 PHE A 21 -9.099 6.190 -1.216 1.00 52.11 H new ATOM 0 HB3 PHE A 21 -9.141 7.807 -1.891 1.00 52.11 H new ATOM 0 HD1 PHE A 21 -10.687 9.516 -0.421 1.00 45.34 H new ATOM 0 HD2 PHE A 21 -8.770 6.016 1.095 1.00 14.21 H new ATOM 0 HE1 PHE A 21 -10.770 10.437 1.852 1.00 2.34 H new ATOM 0 HE2 PHE A 21 -8.849 6.964 3.346 1.00 71.01 H new ATOM 0 HZ PHE A 21 -9.865 9.149 3.735 1.00 64.31 H new ATOM 366 N PRO A 22 -11.736 6.223 -4.207 1.00 61.01 N ATOM 367 CA PRO A 22 -11.521 5.616 -5.548 1.00 12.02 C ATOM 368 C PRO A 22 -10.377 6.308 -6.343 1.00 65.23 C ATOM 369 O PRO A 22 -10.018 5.855 -7.443 1.00 52.52 O ATOM 370 CB PRO A 22 -12.895 5.809 -6.235 1.00 4.15 C ATOM 371 CG PRO A 22 -13.466 7.045 -5.603 1.00 12.42 C ATOM 372 CD PRO A 22 -12.994 7.028 -4.160 1.00 12.13 C ATOM 0 HA PRO A 22 -11.205 4.574 -5.491 1.00 12.02 H new ATOM 0 HB2 PRO A 22 -12.786 5.930 -7.313 1.00 4.15 H new ATOM 0 HB3 PRO A 22 -13.543 4.947 -6.075 1.00 4.15 H new ATOM 0 HG2 PRO A 22 -13.121 7.942 -6.117 1.00 12.42 H new ATOM 0 HG3 PRO A 22 -14.555 7.045 -5.658 1.00 12.42 H new ATOM 0 HD2 PRO A 22 -12.811 8.036 -3.787 1.00 12.13 H new ATOM 0 HD3 PRO A 22 -13.735 6.574 -3.502 1.00 12.13 H new ATOM 380 N GLN A 23 -9.818 7.414 -5.780 1.00 13.11 N ATOM 381 CA GLN A 23 -8.723 8.183 -6.417 1.00 42.15 C ATOM 382 C GLN A 23 -7.346 7.534 -6.161 1.00 4.54 C ATOM 383 O GLN A 23 -6.389 7.801 -6.898 1.00 53.32 O ATOM 384 CB GLN A 23 -8.691 9.679 -5.952 1.00 2.14 C ATOM 385 CG GLN A 23 -8.372 9.922 -4.447 1.00 33.20 C ATOM 386 CD GLN A 23 -9.602 9.990 -3.532 1.00 51.20 C ATOM 387 OE1 GLN A 23 -10.645 9.399 -3.809 1.00 21.13 O ATOM 388 NE2 GLN A 23 -9.476 10.690 -2.422 1.00 53.54 N ATOM 0 H GLN A 23 -10.114 7.791 -4.880 1.00 13.11 H new ATOM 0 HA GLN A 23 -8.931 8.165 -7.487 1.00 42.15 H new ATOM 0 HB2 GLN A 23 -7.949 10.208 -6.550 1.00 2.14 H new ATOM 0 HB3 GLN A 23 -9.659 10.128 -6.174 1.00 2.14 H new ATOM 0 HG2 GLN A 23 -7.718 9.124 -4.095 1.00 33.20 H new ATOM 0 HG3 GLN A 23 -7.815 10.854 -4.354 1.00 33.20 H new ATOM 0 HE21 GLN A 23 -8.599 11.170 -2.218 1.00 53.54 H new ATOM 0 HE22 GLN A 23 -10.255 10.752 -1.767 1.00 53.54 H new ATOM 397 N VAL A 24 -7.240 6.708 -5.103 1.00 61.12 N ATOM 398 CA VAL A 24 -5.998 5.972 -4.782 1.00 50.50 C ATOM 399 C VAL A 24 -6.098 4.520 -5.293 1.00 51.31 C ATOM 400 O VAL A 24 -7.188 3.935 -5.304 1.00 54.13 O ATOM 401 CB VAL A 24 -5.654 6.002 -3.239 1.00 73.21 C ATOM 402 CG1 VAL A 24 -5.475 7.458 -2.736 1.00 11.21 C ATOM 403 CG2 VAL A 24 -6.696 5.234 -2.391 1.00 23.43 C ATOM 0 H VAL A 24 -8.004 6.532 -4.451 1.00 61.12 H new ATOM 0 HA VAL A 24 -5.179 6.479 -5.292 1.00 50.50 H new ATOM 0 HB VAL A 24 -4.704 5.483 -3.112 1.00 73.21 H new ATOM 0 HG11 VAL A 24 -5.239 7.449 -1.672 1.00 11.21 H new ATOM 0 HG12 VAL A 24 -4.662 7.935 -3.284 1.00 11.21 H new ATOM 0 HG13 VAL A 24 -6.398 8.015 -2.898 1.00 11.21 H new ATOM 0 HG21 VAL A 24 -6.416 5.283 -1.339 1.00 23.43 H new ATOM 0 HG22 VAL A 24 -7.679 5.685 -2.527 1.00 23.43 H new ATOM 0 HG23 VAL A 24 -6.728 4.192 -2.710 1.00 23.43 H new ATOM 413 N GLU A 25 -4.961 3.960 -5.741 1.00 30.30 N ATOM 414 CA GLU A 25 -4.893 2.586 -6.277 1.00 50.35 C ATOM 415 C GLU A 25 -4.415 1.625 -5.186 1.00 23.24 C ATOM 416 O GLU A 25 -3.380 1.858 -4.572 1.00 35.31 O ATOM 417 CB GLU A 25 -3.964 2.542 -7.522 1.00 33.14 C ATOM 418 CG GLU A 25 -4.511 3.321 -8.737 1.00 25.40 C ATOM 419 CD GLU A 25 -5.882 2.804 -9.218 1.00 4.51 C ATOM 420 OE1 GLU A 25 -5.921 1.822 -9.984 1.00 62.30 O ATOM 421 OE2 GLU A 25 -6.927 3.373 -8.825 1.00 55.22 O ATOM 0 H GLU A 25 -4.064 4.445 -5.743 1.00 30.30 H new ATOM 0 HA GLU A 25 -5.887 2.270 -6.593 1.00 50.35 H new ATOM 0 HB2 GLU A 25 -2.990 2.948 -7.251 1.00 33.14 H new ATOM 0 HB3 GLU A 25 -3.807 1.502 -7.810 1.00 33.14 H new ATOM 0 HG2 GLU A 25 -4.598 4.376 -8.476 1.00 25.40 H new ATOM 0 HG3 GLU A 25 -3.796 3.254 -9.557 1.00 25.40 H new ATOM 428 N VAL A 26 -5.186 0.545 -4.947 1.00 72.41 N ATOM 429 CA VAL A 26 -4.924 -0.399 -3.848 1.00 50.12 C ATOM 430 C VAL A 26 -4.619 -1.797 -4.410 1.00 32.52 C ATOM 431 O VAL A 26 -5.473 -2.402 -5.063 1.00 32.03 O ATOM 432 CB VAL A 26 -6.133 -0.475 -2.838 1.00 30.23 C ATOM 433 CG1 VAL A 26 -5.779 -1.353 -1.610 1.00 24.21 C ATOM 434 CG2 VAL A 26 -6.585 0.941 -2.411 1.00 32.54 C ATOM 0 H VAL A 26 -6.003 0.306 -5.509 1.00 72.41 H new ATOM 0 HA VAL A 26 -4.057 -0.031 -3.300 1.00 50.12 H new ATOM 0 HB VAL A 26 -6.971 -0.949 -3.348 1.00 30.23 H new ATOM 0 HG11 VAL A 26 -6.630 -1.388 -0.930 1.00 24.21 H new ATOM 0 HG12 VAL A 26 -5.538 -2.363 -1.942 1.00 24.21 H new ATOM 0 HG13 VAL A 26 -4.919 -0.926 -1.093 1.00 24.21 H new ATOM 0 HG21 VAL A 26 -7.420 0.862 -1.715 1.00 32.54 H new ATOM 0 HG22 VAL A 26 -5.756 1.457 -1.927 1.00 32.54 H new ATOM 0 HG23 VAL A 26 -6.898 1.504 -3.290 1.00 32.54 H new ATOM 444 N ARG A 27 -3.386 -2.279 -4.173 1.00 72.35 N ATOM 445 CA ARG A 27 -2.947 -3.629 -4.563 1.00 21.45 C ATOM 446 C ARG A 27 -3.158 -4.613 -3.394 1.00 73.20 C ATOM 447 O ARG A 27 -2.868 -4.295 -2.238 1.00 63.14 O ATOM 448 CB ARG A 27 -1.451 -3.604 -5.012 1.00 53.32 C ATOM 449 CG ARG A 27 -1.218 -3.131 -6.472 1.00 11.31 C ATOM 450 CD ARG A 27 -1.851 -4.095 -7.498 1.00 3.01 C ATOM 451 NE ARG A 27 -1.682 -3.654 -8.893 1.00 3.31 N ATOM 452 CZ ARG A 27 -2.567 -3.871 -9.889 1.00 11.41 C ATOM 453 NH1 ARG A 27 -3.711 -4.534 -9.677 1.00 13.43 N ATOM 454 NH2 ARG A 27 -2.279 -3.457 -11.114 1.00 71.40 N ATOM 0 H ARG A 27 -2.661 -1.738 -3.702 1.00 72.35 H new ATOM 0 HA ARG A 27 -3.547 -3.968 -5.407 1.00 21.45 H new ATOM 0 HB2 ARG A 27 -0.895 -2.950 -4.340 1.00 53.32 H new ATOM 0 HB3 ARG A 27 -1.035 -4.605 -4.898 1.00 53.32 H new ATOM 0 HG2 ARG A 27 -1.640 -2.134 -6.602 1.00 11.31 H new ATOM 0 HG3 ARG A 27 -0.148 -3.051 -6.661 1.00 11.31 H new ATOM 0 HD2 ARG A 27 -1.406 -5.083 -7.380 1.00 3.01 H new ATOM 0 HD3 ARG A 27 -2.915 -4.196 -7.283 1.00 3.01 H new ATOM 0 HE ARG A 27 -0.829 -3.145 -9.125 1.00 3.31 H new ATOM 0 HH11 ARG A 27 -3.930 -4.888 -8.746 1.00 13.43 H new ATOM 0 HH12 ARG A 27 -4.363 -4.685 -10.447 1.00 13.43 H new ATOM 0 HH21 ARG A 27 -1.396 -2.980 -11.297 1.00 71.40 H new ATOM 0 HH22 ARG A 27 -2.940 -3.615 -11.874 1.00 71.40 H new ATOM 468 N LEU A 28 -3.686 -5.796 -3.721 1.00 63.24 N ATOM 469 CA LEU A 28 -3.965 -6.871 -2.759 1.00 73.00 C ATOM 470 C LEU A 28 -2.857 -7.933 -2.833 1.00 25.22 C ATOM 471 O LEU A 28 -2.650 -8.533 -3.886 1.00 12.44 O ATOM 472 CB LEU A 28 -5.340 -7.511 -3.090 1.00 62.31 C ATOM 473 CG LEU A 28 -5.720 -8.801 -2.295 1.00 34.44 C ATOM 474 CD1 LEU A 28 -5.869 -8.518 -0.796 1.00 35.02 C ATOM 475 CD2 LEU A 28 -6.982 -9.468 -2.877 1.00 35.10 C ATOM 0 H LEU A 28 -3.937 -6.040 -4.679 1.00 63.24 H new ATOM 0 HA LEU A 28 -3.993 -6.461 -1.749 1.00 73.00 H new ATOM 0 HB2 LEU A 28 -6.114 -6.764 -2.917 1.00 62.31 H new ATOM 0 HB3 LEU A 28 -5.358 -7.748 -4.154 1.00 62.31 H new ATOM 0 HG LEU A 28 -4.897 -9.507 -2.407 1.00 34.44 H new ATOM 0 HD11 LEU A 28 -6.134 -9.439 -0.276 1.00 35.02 H new ATOM 0 HD12 LEU A 28 -4.927 -8.137 -0.402 1.00 35.02 H new ATOM 0 HD13 LEU A 28 -6.653 -7.776 -0.642 1.00 35.02 H new ATOM 0 HD21 LEU A 28 -7.219 -10.363 -2.301 1.00 35.10 H new ATOM 0 HD22 LEU A 28 -7.818 -8.771 -2.826 1.00 35.10 H new ATOM 0 HD23 LEU A 28 -6.802 -9.743 -3.916 1.00 35.10 H new ATOM 487 N VAL A 29 -2.136 -8.125 -1.724 1.00 11.11 N ATOM 488 CA VAL A 29 -1.164 -9.211 -1.561 1.00 14.10 C ATOM 489 C VAL A 29 -1.871 -10.451 -0.981 1.00 32.15 C ATOM 490 O VAL A 29 -2.238 -10.489 0.202 1.00 64.12 O ATOM 491 CB VAL A 29 0.024 -8.762 -0.635 1.00 61.54 C ATOM 492 CG1 VAL A 29 0.985 -9.932 -0.307 1.00 71.32 C ATOM 493 CG2 VAL A 29 0.776 -7.578 -1.275 1.00 42.52 C ATOM 0 H VAL A 29 -2.212 -7.523 -0.904 1.00 11.11 H new ATOM 0 HA VAL A 29 -0.747 -9.464 -2.536 1.00 14.10 H new ATOM 0 HB VAL A 29 -0.398 -8.435 0.315 1.00 61.54 H new ATOM 0 HG11 VAL A 29 1.789 -9.573 0.335 1.00 71.32 H new ATOM 0 HG12 VAL A 29 0.436 -10.721 0.206 1.00 71.32 H new ATOM 0 HG13 VAL A 29 1.407 -10.326 -1.231 1.00 71.32 H new ATOM 0 HG21 VAL A 29 1.597 -7.275 -0.625 1.00 42.52 H new ATOM 0 HG22 VAL A 29 1.173 -7.880 -2.244 1.00 42.52 H new ATOM 0 HG23 VAL A 29 0.091 -6.741 -1.408 1.00 42.52 H new ATOM 503 N THR A 30 -2.099 -11.435 -1.847 1.00 34.22 N ATOM 504 CA THR A 30 -2.654 -12.739 -1.476 1.00 1.32 C ATOM 505 C THR A 30 -1.511 -13.688 -1.071 1.00 0.43 C ATOM 506 O THR A 30 -1.572 -14.380 -0.043 1.00 31.21 O ATOM 507 CB THR A 30 -3.443 -13.357 -2.682 1.00 22.32 C ATOM 508 OG1 THR A 30 -2.568 -13.519 -3.817 1.00 13.21 O ATOM 509 CG2 THR A 30 -4.633 -12.485 -3.108 1.00 42.41 C ATOM 0 H THR A 30 -1.901 -11.350 -2.844 1.00 34.22 H new ATOM 0 HA THR A 30 -3.337 -12.606 -0.637 1.00 1.32 H new ATOM 0 HB THR A 30 -3.823 -14.322 -2.347 1.00 22.32 H new ATOM 0 HG1 THR A 30 -2.314 -12.638 -4.163 1.00 13.21 H new ATOM 0 HG21 THR A 30 -5.147 -12.955 -3.946 1.00 42.41 H new ATOM 0 HG22 THR A 30 -5.324 -12.379 -2.272 1.00 42.41 H new ATOM 0 HG23 THR A 30 -4.274 -11.501 -3.409 1.00 42.41 H new ATOM 517 N THR A 31 -0.453 -13.663 -1.894 1.00 2.31 N ATOM 518 CA THR A 31 0.692 -14.577 -1.808 1.00 22.23 C ATOM 519 C THR A 31 2.018 -13.785 -1.723 1.00 73.24 C ATOM 520 O THR A 31 2.026 -12.556 -1.863 1.00 43.41 O ATOM 521 CB THR A 31 0.684 -15.543 -3.043 1.00 24.24 C ATOM 522 OG1 THR A 31 0.528 -14.786 -4.254 1.00 3.34 O ATOM 523 CG2 THR A 31 -0.443 -16.589 -2.967 1.00 70.13 C ATOM 0 H THR A 31 -0.369 -12.990 -2.656 1.00 2.31 H new ATOM 0 HA THR A 31 0.609 -15.173 -0.899 1.00 22.23 H new ATOM 0 HB THR A 31 1.637 -16.072 -3.036 1.00 24.24 H new ATOM 0 HG1 THR A 31 0.525 -15.395 -5.022 1.00 3.34 H new ATOM 0 HG21 THR A 31 -0.403 -17.232 -3.846 1.00 70.13 H new ATOM 0 HG22 THR A 31 -0.318 -17.194 -2.069 1.00 70.13 H new ATOM 0 HG23 THR A 31 -1.408 -16.083 -2.932 1.00 70.13 H new ATOM 531 N GLU A 32 3.135 -14.506 -1.505 1.00 10.02 N ATOM 532 CA GLU A 32 4.464 -13.911 -1.247 1.00 24.34 C ATOM 533 C GLU A 32 5.026 -13.182 -2.492 1.00 23.43 C ATOM 534 O GLU A 32 5.430 -12.012 -2.409 1.00 61.31 O ATOM 535 CB GLU A 32 5.430 -15.030 -0.793 1.00 33.12 C ATOM 536 CG GLU A 32 6.854 -14.556 -0.443 1.00 15.00 C ATOM 537 CD GLU A 32 7.816 -15.713 -0.150 1.00 55.52 C ATOM 538 OE1 GLU A 32 8.361 -16.297 -1.107 1.00 3.55 O ATOM 539 OE2 GLU A 32 8.038 -16.045 1.029 1.00 24.04 O ATOM 0 H GLU A 32 3.142 -15.526 -1.503 1.00 10.02 H new ATOM 0 HA GLU A 32 4.362 -13.161 -0.463 1.00 24.34 H new ATOM 0 HB2 GLU A 32 5.004 -15.526 0.079 1.00 33.12 H new ATOM 0 HB3 GLU A 32 5.496 -15.776 -1.585 1.00 33.12 H new ATOM 0 HG2 GLU A 32 7.247 -13.964 -1.270 1.00 15.00 H new ATOM 0 HG3 GLU A 32 6.809 -13.899 0.426 1.00 15.00 H new ATOM 546 N GLU A 33 5.048 -13.896 -3.644 1.00 34.34 N ATOM 547 CA GLU A 33 5.505 -13.344 -4.938 1.00 33.21 C ATOM 548 C GLU A 33 4.626 -12.157 -5.372 1.00 60.41 C ATOM 549 O GLU A 33 5.114 -11.215 -5.997 1.00 23.43 O ATOM 550 CB GLU A 33 5.508 -14.445 -6.037 1.00 34.10 C ATOM 551 CG GLU A 33 5.938 -13.941 -7.437 1.00 73.20 C ATOM 552 CD GLU A 33 5.802 -14.992 -8.549 1.00 30.20 C ATOM 553 OE1 GLU A 33 4.683 -15.162 -9.092 1.00 32.41 O ATOM 554 OE2 GLU A 33 6.813 -15.638 -8.913 1.00 54.23 O ATOM 0 H GLU A 33 4.749 -14.870 -3.700 1.00 34.34 H new ATOM 0 HA GLU A 33 6.525 -12.984 -4.806 1.00 33.21 H new ATOM 0 HB2 GLU A 33 6.179 -15.248 -5.730 1.00 34.10 H new ATOM 0 HB3 GLU A 33 4.509 -14.874 -6.109 1.00 34.10 H new ATOM 0 HG2 GLU A 33 5.337 -13.070 -7.699 1.00 73.20 H new ATOM 0 HG3 GLU A 33 6.975 -13.609 -7.390 1.00 73.20 H new ATOM 561 N ASP A 34 3.339 -12.209 -4.992 1.00 1.34 N ATOM 562 CA ASP A 34 2.352 -11.157 -5.297 1.00 73.55 C ATOM 563 C ASP A 34 2.789 -9.806 -4.689 1.00 43.20 C ATOM 564 O ASP A 34 2.639 -8.765 -5.324 1.00 30.21 O ATOM 565 CB ASP A 34 0.953 -11.582 -4.769 1.00 63.11 C ATOM 566 CG ASP A 34 -0.240 -10.738 -5.266 1.00 60.43 C ATOM 567 OD1 ASP A 34 -0.105 -9.953 -6.219 1.00 1.11 O ATOM 568 OD2 ASP A 34 -1.348 -10.917 -4.729 1.00 1.52 O ATOM 0 H ASP A 34 2.950 -12.988 -4.460 1.00 1.34 H new ATOM 0 HA ASP A 34 2.292 -11.028 -6.378 1.00 73.55 H new ATOM 0 HB2 ASP A 34 0.780 -12.621 -5.050 1.00 63.11 H new ATOM 0 HB3 ASP A 34 0.971 -11.545 -3.680 1.00 63.11 H new ATOM 573 N ALA A 35 3.370 -9.860 -3.469 1.00 1.32 N ATOM 574 CA ALA A 35 3.965 -8.676 -2.803 1.00 41.13 C ATOM 575 C ALA A 35 5.147 -8.102 -3.605 1.00 30.12 C ATOM 576 O ALA A 35 5.322 -6.879 -3.698 1.00 31.43 O ATOM 577 CB ALA A 35 4.429 -9.029 -1.383 1.00 14.11 C ATOM 0 H ALA A 35 3.440 -10.718 -2.921 1.00 1.32 H new ATOM 0 HA ALA A 35 3.187 -7.914 -2.751 1.00 41.13 H new ATOM 0 HB1 ALA A 35 4.862 -8.147 -0.912 1.00 14.11 H new ATOM 0 HB2 ALA A 35 3.577 -9.372 -0.796 1.00 14.11 H new ATOM 0 HB3 ALA A 35 5.178 -9.820 -1.431 1.00 14.11 H new ATOM 583 N LYS A 36 5.956 -9.010 -4.174 1.00 50.30 N ATOM 584 CA LYS A 36 7.110 -8.651 -5.022 1.00 44.33 C ATOM 585 C LYS A 36 6.631 -8.004 -6.343 1.00 54.24 C ATOM 586 O LYS A 36 7.279 -7.104 -6.876 1.00 72.34 O ATOM 587 CB LYS A 36 7.973 -9.911 -5.314 1.00 3.04 C ATOM 588 CG LYS A 36 8.362 -10.723 -4.055 1.00 23.22 C ATOM 589 CD LYS A 36 9.179 -12.009 -4.363 1.00 73.33 C ATOM 590 CE LYS A 36 10.681 -11.759 -4.602 1.00 12.53 C ATOM 591 NZ LYS A 36 10.955 -10.880 -5.774 1.00 22.30 N ATOM 0 H LYS A 36 5.830 -10.016 -4.060 1.00 50.30 H new ATOM 0 HA LYS A 36 7.723 -7.925 -4.488 1.00 44.33 H new ATOM 0 HB2 LYS A 36 7.426 -10.561 -5.997 1.00 3.04 H new ATOM 0 HB3 LYS A 36 8.883 -9.602 -5.828 1.00 3.04 H new ATOM 0 HG2 LYS A 36 8.944 -10.086 -3.389 1.00 23.22 H new ATOM 0 HG3 LYS A 36 7.454 -11.001 -3.519 1.00 23.22 H new ATOM 0 HD2 LYS A 36 9.065 -12.706 -3.533 1.00 73.33 H new ATOM 0 HD3 LYS A 36 8.757 -12.492 -5.245 1.00 73.33 H new ATOM 0 HE2 LYS A 36 11.113 -11.307 -3.709 1.00 12.53 H new ATOM 0 HE3 LYS A 36 11.182 -12.716 -4.750 1.00 12.53 H new ATOM 0 HZ1 LYS A 36 11.901 -11.090 -6.152 1.00 22.30 H new ATOM 0 HZ2 LYS A 36 10.242 -11.052 -6.511 1.00 22.30 H new ATOM 0 HZ3 LYS A 36 10.913 -9.884 -5.478 1.00 22.30 H new ATOM 605 N GLN A 37 5.477 -8.474 -6.843 1.00 54.21 N ATOM 606 CA GLN A 37 4.830 -7.932 -8.056 1.00 3.11 C ATOM 607 C GLN A 37 4.216 -6.541 -7.775 1.00 55.44 C ATOM 608 O GLN A 37 4.118 -5.707 -8.685 1.00 41.25 O ATOM 609 CB GLN A 37 3.761 -8.931 -8.568 1.00 42.33 C ATOM 610 CG GLN A 37 4.328 -10.324 -8.941 1.00 61.13 C ATOM 611 CD GLN A 37 3.255 -11.386 -9.203 1.00 63.02 C ATOM 612 OE1 GLN A 37 2.148 -11.322 -8.668 1.00 23.14 O ATOM 613 NE2 GLN A 37 3.585 -12.396 -9.991 1.00 73.41 N ATOM 0 H GLN A 37 4.961 -9.244 -6.417 1.00 54.21 H new ATOM 0 HA GLN A 37 5.582 -7.803 -8.835 1.00 3.11 H new ATOM 0 HB2 GLN A 37 2.997 -9.055 -7.801 1.00 42.33 H new ATOM 0 HB3 GLN A 37 3.269 -8.504 -9.442 1.00 42.33 H new ATOM 0 HG2 GLN A 37 4.951 -10.225 -9.830 1.00 61.13 H new ATOM 0 HG3 GLN A 37 4.976 -10.668 -8.135 1.00 61.13 H new ATOM 0 HE21 GLN A 37 4.509 -12.426 -10.422 1.00 73.41 H new ATOM 0 HE22 GLN A 37 2.916 -13.145 -10.167 1.00 73.41 H new ATOM 622 N VAL A 38 3.813 -6.300 -6.510 1.00 3.33 N ATOM 623 CA VAL A 38 3.384 -4.965 -6.044 1.00 62.55 C ATOM 624 C VAL A 38 4.583 -3.987 -6.031 1.00 51.41 C ATOM 625 O VAL A 38 4.424 -2.822 -6.376 1.00 72.13 O ATOM 626 CB VAL A 38 2.702 -5.023 -4.621 1.00 15.25 C ATOM 627 CG1 VAL A 38 2.347 -3.614 -4.093 1.00 53.21 C ATOM 628 CG2 VAL A 38 1.448 -5.924 -4.652 1.00 41.24 C ATOM 0 H VAL A 38 3.776 -7.019 -5.788 1.00 3.33 H new ATOM 0 HA VAL A 38 2.635 -4.600 -6.747 1.00 62.55 H new ATOM 0 HB VAL A 38 3.427 -5.457 -3.932 1.00 15.25 H new ATOM 0 HG11 VAL A 38 1.880 -3.700 -3.112 1.00 53.21 H new ATOM 0 HG12 VAL A 38 3.255 -3.017 -4.012 1.00 53.21 H new ATOM 0 HG13 VAL A 38 1.655 -3.131 -4.783 1.00 53.21 H new ATOM 0 HG21 VAL A 38 0.994 -5.950 -3.661 1.00 41.24 H new ATOM 0 HG22 VAL A 38 0.731 -5.525 -5.370 1.00 41.24 H new ATOM 0 HG23 VAL A 38 1.733 -6.934 -4.947 1.00 41.24 H new ATOM 638 N ILE A 39 5.781 -4.486 -5.654 1.00 71.45 N ATOM 639 CA ILE A 39 7.046 -3.706 -5.739 1.00 23.31 C ATOM 640 C ILE A 39 7.311 -3.266 -7.199 1.00 64.32 C ATOM 641 O ILE A 39 7.670 -2.114 -7.452 1.00 61.13 O ATOM 642 CB ILE A 39 8.274 -4.532 -5.201 1.00 32.43 C ATOM 643 CG1 ILE A 39 8.040 -4.950 -3.718 1.00 33.21 C ATOM 644 CG2 ILE A 39 9.607 -3.754 -5.369 1.00 52.42 C ATOM 645 CD1 ILE A 39 9.062 -5.917 -3.145 1.00 62.13 C ATOM 0 H ILE A 39 5.903 -5.429 -5.286 1.00 71.45 H new ATOM 0 HA ILE A 39 6.929 -2.823 -5.110 1.00 23.31 H new ATOM 0 HB ILE A 39 8.359 -5.438 -5.801 1.00 32.43 H new ATOM 0 HG12 ILE A 39 8.030 -4.051 -3.102 1.00 33.21 H new ATOM 0 HG13 ILE A 39 7.052 -5.402 -3.637 1.00 33.21 H new ATOM 0 HG21 ILE A 39 10.431 -4.357 -4.986 1.00 52.42 H new ATOM 0 HG22 ILE A 39 9.773 -3.541 -6.425 1.00 52.42 H new ATOM 0 HG23 ILE A 39 9.554 -2.817 -4.814 1.00 52.42 H new ATOM 0 HD11 ILE A 39 8.808 -6.143 -2.109 1.00 62.13 H new ATOM 0 HD12 ILE A 39 9.059 -6.837 -3.729 1.00 62.13 H new ATOM 0 HD13 ILE A 39 10.053 -5.465 -3.185 1.00 62.13 H new ATOM 657 N LYS A 40 7.080 -4.203 -8.147 1.00 15.21 N ATOM 658 CA LYS A 40 7.213 -3.944 -9.599 1.00 21.33 C ATOM 659 C LYS A 40 6.218 -2.856 -10.046 1.00 15.40 C ATOM 660 O LYS A 40 6.544 -2.010 -10.883 1.00 65.03 O ATOM 661 CB LYS A 40 6.970 -5.251 -10.409 1.00 54.05 C ATOM 662 CG LYS A 40 7.869 -6.438 -10.004 1.00 3.35 C ATOM 663 CD LYS A 40 9.377 -6.150 -10.146 1.00 64.43 C ATOM 664 CE LYS A 40 9.824 -5.956 -11.601 1.00 65.21 C ATOM 665 NZ LYS A 40 11.285 -5.687 -11.690 1.00 51.23 N ATOM 0 H LYS A 40 6.797 -5.158 -7.927 1.00 15.21 H new ATOM 0 HA LYS A 40 8.227 -3.594 -9.792 1.00 21.33 H new ATOM 0 HB2 LYS A 40 5.927 -5.546 -10.292 1.00 54.05 H new ATOM 0 HB3 LYS A 40 7.125 -5.040 -11.467 1.00 54.05 H new ATOM 0 HG2 LYS A 40 7.655 -6.708 -8.970 1.00 3.35 H new ATOM 0 HG3 LYS A 40 7.614 -7.302 -10.618 1.00 3.35 H new ATOM 0 HD2 LYS A 40 9.624 -5.255 -9.575 1.00 64.43 H new ATOM 0 HD3 LYS A 40 9.940 -6.974 -9.707 1.00 64.43 H new ATOM 0 HE2 LYS A 40 9.581 -6.847 -12.180 1.00 65.21 H new ATOM 0 HE3 LYS A 40 9.272 -5.127 -12.045 1.00 65.21 H new ATOM 0 HZ1 LYS A 40 11.555 -5.561 -12.686 1.00 51.23 H new ATOM 0 HZ2 LYS A 40 11.512 -4.823 -11.158 1.00 51.23 H new ATOM 0 HZ3 LYS A 40 11.811 -6.489 -11.288 1.00 51.23 H new ATOM 679 N GLU A 41 5.017 -2.890 -9.437 1.00 72.12 N ATOM 680 CA GLU A 41 3.924 -1.939 -9.710 1.00 31.22 C ATOM 681 C GLU A 41 4.316 -0.510 -9.262 1.00 33.10 C ATOM 682 O GLU A 41 4.030 0.474 -9.959 1.00 1.12 O ATOM 683 CB GLU A 41 2.641 -2.395 -8.957 1.00 51.53 C ATOM 684 CG GLU A 41 1.339 -1.718 -9.419 1.00 3.15 C ATOM 685 CD GLU A 41 0.924 -2.134 -10.838 1.00 61.41 C ATOM 686 OE1 GLU A 41 0.561 -3.298 -11.041 1.00 4.20 O ATOM 687 OE2 GLU A 41 0.942 -1.312 -11.743 1.00 72.21 O ATOM 0 H GLU A 41 4.776 -3.588 -8.733 1.00 72.12 H new ATOM 0 HA GLU A 41 3.734 -1.922 -10.783 1.00 31.22 H new ATOM 0 HB2 GLU A 41 2.533 -3.473 -9.074 1.00 51.53 H new ATOM 0 HB3 GLU A 41 2.775 -2.202 -7.893 1.00 51.53 H new ATOM 0 HG2 GLU A 41 0.538 -1.968 -8.723 1.00 3.15 H new ATOM 0 HG3 GLU A 41 1.465 -0.636 -9.385 1.00 3.15 H new ATOM 694 N ILE A 42 4.966 -0.439 -8.076 1.00 63.34 N ATOM 695 CA ILE A 42 5.484 0.813 -7.482 1.00 71.31 C ATOM 696 C ILE A 42 6.516 1.467 -8.423 1.00 14.33 C ATOM 697 O ILE A 42 6.438 2.662 -8.718 1.00 62.04 O ATOM 698 CB ILE A 42 6.145 0.552 -6.063 1.00 10.15 C ATOM 699 CG1 ILE A 42 5.106 -0.048 -5.057 1.00 33.21 C ATOM 700 CG2 ILE A 42 6.787 1.838 -5.479 1.00 54.41 C ATOM 701 CD1 ILE A 42 5.706 -0.593 -3.765 1.00 4.53 C ATOM 0 H ILE A 42 5.147 -1.261 -7.499 1.00 63.34 H new ATOM 0 HA ILE A 42 4.638 1.487 -7.347 1.00 71.31 H new ATOM 0 HB ILE A 42 6.941 -0.177 -6.212 1.00 10.15 H new ATOM 0 HG12 ILE A 42 4.378 0.723 -4.806 1.00 33.21 H new ATOM 0 HG13 ILE A 42 4.561 -0.850 -5.555 1.00 33.21 H new ATOM 0 HG21 ILE A 42 7.228 1.616 -4.507 1.00 54.41 H new ATOM 0 HG22 ILE A 42 7.562 2.197 -6.156 1.00 54.41 H new ATOM 0 HG23 ILE A 42 6.022 2.606 -5.363 1.00 54.41 H new ATOM 0 HD11 ILE A 42 4.911 -0.987 -3.132 1.00 4.53 H new ATOM 0 HD12 ILE A 42 6.412 -1.390 -3.999 1.00 4.53 H new ATOM 0 HD13 ILE A 42 6.225 0.208 -3.239 1.00 4.53 H new ATOM 713 N GLN A 43 7.450 0.640 -8.915 1.00 14.11 N ATOM 714 CA GLN A 43 8.549 1.079 -9.792 1.00 14.12 C ATOM 715 C GLN A 43 8.015 1.570 -11.163 1.00 34.42 C ATOM 716 O GLN A 43 8.482 2.589 -11.686 1.00 52.00 O ATOM 717 CB GLN A 43 9.570 -0.081 -9.961 1.00 50.45 C ATOM 718 CG GLN A 43 10.238 -0.523 -8.636 1.00 75.44 C ATOM 719 CD GLN A 43 11.117 -1.774 -8.762 1.00 45.11 C ATOM 720 OE1 GLN A 43 10.871 -2.649 -9.595 1.00 3.44 O ATOM 721 NE2 GLN A 43 12.147 -1.875 -7.929 1.00 45.34 N ATOM 0 H GLN A 43 7.465 -0.360 -8.715 1.00 14.11 H new ATOM 0 HA GLN A 43 9.054 1.927 -9.329 1.00 14.12 H new ATOM 0 HB2 GLN A 43 9.063 -0.938 -10.405 1.00 50.45 H new ATOM 0 HB3 GLN A 43 10.345 0.229 -10.662 1.00 50.45 H new ATOM 0 HG2 GLN A 43 10.846 0.298 -8.257 1.00 75.44 H new ATOM 0 HG3 GLN A 43 9.461 -0.712 -7.896 1.00 75.44 H new ATOM 0 HE21 GLN A 43 12.328 -1.136 -7.249 1.00 45.34 H new ATOM 0 HE22 GLN A 43 12.757 -2.691 -7.969 1.00 45.34 H new ATOM 730 N LYS A 44 7.007 0.850 -11.705 1.00 21.24 N ATOM 731 CA LYS A 44 6.378 1.177 -13.009 1.00 1.21 C ATOM 732 C LYS A 44 5.555 2.484 -12.954 1.00 53.12 C ATOM 733 O LYS A 44 5.596 3.288 -13.894 1.00 12.41 O ATOM 734 CB LYS A 44 5.482 -0.008 -13.495 1.00 23.41 C ATOM 735 CG LYS A 44 6.261 -1.219 -14.074 1.00 63.22 C ATOM 736 CD LYS A 44 7.089 -0.838 -15.325 1.00 40.11 C ATOM 737 CE LYS A 44 7.797 -2.033 -15.978 1.00 13.25 C ATOM 738 NZ LYS A 44 8.747 -2.692 -15.052 1.00 70.51 N ATOM 0 H LYS A 44 6.606 0.028 -11.254 1.00 21.24 H new ATOM 0 HA LYS A 44 7.186 1.334 -13.724 1.00 1.21 H new ATOM 0 HB2 LYS A 44 4.874 -0.352 -12.658 1.00 23.41 H new ATOM 0 HB3 LYS A 44 4.796 0.362 -14.257 1.00 23.41 H new ATOM 0 HG2 LYS A 44 6.926 -1.621 -13.309 1.00 63.22 H new ATOM 0 HG3 LYS A 44 5.558 -2.011 -14.333 1.00 63.22 H new ATOM 0 HD2 LYS A 44 6.431 -0.371 -16.058 1.00 40.11 H new ATOM 0 HD3 LYS A 44 7.834 -0.093 -15.045 1.00 40.11 H new ATOM 0 HE2 LYS A 44 7.053 -2.757 -16.310 1.00 13.25 H new ATOM 0 HE3 LYS A 44 8.332 -1.696 -16.866 1.00 13.25 H new ATOM 0 HZ1 LYS A 44 9.227 -3.472 -15.544 1.00 70.51 H new ATOM 0 HZ2 LYS A 44 9.453 -2.000 -14.728 1.00 70.51 H new ATOM 0 HZ3 LYS A 44 8.229 -3.067 -14.232 1.00 70.51 H new ATOM 752 N LYS A 45 4.793 2.673 -11.863 1.00 42.20 N ATOM 753 CA LYS A 45 3.988 3.899 -11.638 1.00 24.01 C ATOM 754 C LYS A 45 4.887 5.068 -11.185 1.00 4.55 C ATOM 755 O LYS A 45 4.497 6.235 -11.331 1.00 11.21 O ATOM 756 CB LYS A 45 2.841 3.638 -10.595 1.00 41.33 C ATOM 757 CG LYS A 45 1.411 3.360 -11.152 1.00 1.55 C ATOM 758 CD LYS A 45 1.204 1.955 -11.788 1.00 43.15 C ATOM 759 CE LYS A 45 1.769 1.817 -13.210 1.00 33.41 C ATOM 760 NZ LYS A 45 1.507 0.478 -13.800 1.00 31.12 N ATOM 0 H LYS A 45 4.714 1.987 -11.112 1.00 42.20 H new ATOM 0 HA LYS A 45 3.523 4.175 -12.585 1.00 24.01 H new ATOM 0 HB2 LYS A 45 3.133 2.787 -9.979 1.00 41.33 H new ATOM 0 HB3 LYS A 45 2.783 4.504 -9.935 1.00 41.33 H new ATOM 0 HG2 LYS A 45 0.693 3.482 -10.341 1.00 1.55 H new ATOM 0 HG3 LYS A 45 1.178 4.117 -11.901 1.00 1.55 H new ATOM 0 HD2 LYS A 45 1.673 1.207 -11.149 1.00 43.15 H new ATOM 0 HD3 LYS A 45 0.137 1.732 -11.810 1.00 43.15 H new ATOM 0 HE2 LYS A 45 1.329 2.584 -13.848 1.00 33.41 H new ATOM 0 HE3 LYS A 45 2.844 1.997 -13.189 1.00 33.41 H new ATOM 0 HZ1 LYS A 45 2.372 0.125 -14.258 1.00 31.12 H new ATOM 0 HZ2 LYS A 45 1.219 -0.182 -13.049 1.00 31.12 H new ATOM 0 HZ3 LYS A 45 0.747 0.552 -14.506 1.00 31.12 H new ATOM 774 N GLY A 46 6.083 4.741 -10.650 1.00 72.50 N ATOM 775 CA GLY A 46 6.979 5.743 -10.070 1.00 40.44 C ATOM 776 C GLY A 46 6.360 6.376 -8.837 1.00 61.34 C ATOM 777 O GLY A 46 6.342 7.604 -8.696 1.00 75.45 O ATOM 0 H GLY A 46 6.443 3.788 -10.612 1.00 72.50 H new ATOM 0 HA2 GLY A 46 7.929 5.278 -9.807 1.00 40.44 H new ATOM 0 HA3 GLY A 46 7.196 6.514 -10.809 1.00 40.44 H new ATOM 781 N VAL A 47 5.816 5.509 -7.962 1.00 32.44 N ATOM 782 CA VAL A 47 5.016 5.919 -6.803 1.00 53.14 C ATOM 783 C VAL A 47 5.908 6.609 -5.765 1.00 60.24 C ATOM 784 O VAL A 47 7.003 6.125 -5.453 1.00 64.11 O ATOM 785 CB VAL A 47 4.283 4.696 -6.138 1.00 54.50 C ATOM 786 CG1 VAL A 47 3.363 5.135 -4.980 1.00 1.11 C ATOM 787 CG2 VAL A 47 3.494 3.896 -7.185 1.00 41.32 C ATOM 0 H VAL A 47 5.923 4.498 -8.044 1.00 32.44 H new ATOM 0 HA VAL A 47 4.257 6.615 -7.159 1.00 53.14 H new ATOM 0 HB VAL A 47 5.052 4.050 -5.715 1.00 54.50 H new ATOM 0 HG11 VAL A 47 2.877 4.259 -4.550 1.00 1.11 H new ATOM 0 HG12 VAL A 47 3.956 5.634 -4.214 1.00 1.11 H new ATOM 0 HG13 VAL A 47 2.605 5.822 -5.358 1.00 1.11 H new ATOM 0 HG21 VAL A 47 2.996 3.056 -6.701 1.00 41.32 H new ATOM 0 HG22 VAL A 47 2.748 4.541 -7.650 1.00 41.32 H new ATOM 0 HG23 VAL A 47 4.177 3.523 -7.948 1.00 41.32 H new ATOM 797 N GLN A 48 5.419 7.734 -5.246 1.00 24.44 N ATOM 798 CA GLN A 48 6.137 8.558 -4.279 1.00 3.01 C ATOM 799 C GLN A 48 5.980 7.936 -2.886 1.00 0.21 C ATOM 800 O GLN A 48 6.969 7.665 -2.184 1.00 5.12 O ATOM 801 CB GLN A 48 5.588 10.023 -4.311 1.00 4.34 C ATOM 802 CG GLN A 48 5.820 10.795 -5.641 1.00 22.12 C ATOM 803 CD GLN A 48 5.049 10.246 -6.851 1.00 54.41 C ATOM 804 OE1 GLN A 48 3.954 9.699 -6.723 1.00 72.20 O ATOM 805 NE2 GLN A 48 5.606 10.404 -8.035 1.00 25.11 N ATOM 0 H GLN A 48 4.500 8.103 -5.490 1.00 24.44 H new ATOM 0 HA GLN A 48 7.197 8.596 -4.531 1.00 3.01 H new ATOM 0 HB2 GLN A 48 4.517 9.996 -4.109 1.00 4.34 H new ATOM 0 HB3 GLN A 48 6.052 10.584 -3.500 1.00 4.34 H new ATOM 0 HG2 GLN A 48 5.539 11.838 -5.492 1.00 22.12 H new ATOM 0 HG3 GLN A 48 6.885 10.781 -5.871 1.00 22.12 H new ATOM 0 HE21 GLN A 48 6.515 10.861 -8.114 1.00 25.11 H new ATOM 0 HE22 GLN A 48 5.128 10.070 -8.872 1.00 25.11 H new ATOM 814 N LYS A 49 4.713 7.694 -2.503 1.00 22.44 N ATOM 815 CA LYS A 49 4.347 7.171 -1.178 1.00 73.12 C ATOM 816 C LYS A 49 3.454 5.932 -1.298 1.00 35.40 C ATOM 817 O LYS A 49 2.493 5.926 -2.073 1.00 72.24 O ATOM 818 CB LYS A 49 3.607 8.263 -0.367 1.00 12.43 C ATOM 819 CG LYS A 49 4.413 9.558 -0.180 1.00 30.01 C ATOM 820 CD LYS A 49 3.697 10.586 0.715 1.00 54.33 C ATOM 821 CE LYS A 49 4.601 11.773 1.057 1.00 1.31 C ATOM 822 NZ LYS A 49 4.020 12.619 2.129 1.00 61.42 N ATOM 0 H LYS A 49 3.910 7.858 -3.110 1.00 22.44 H new ATOM 0 HA LYS A 49 5.265 6.886 -0.663 1.00 73.12 H new ATOM 0 HB2 LYS A 49 2.669 8.500 -0.869 1.00 12.43 H new ATOM 0 HB3 LYS A 49 3.351 7.862 0.614 1.00 12.43 H new ATOM 0 HG2 LYS A 49 5.382 9.317 0.256 1.00 30.01 H new ATOM 0 HG3 LYS A 49 4.605 10.005 -1.156 1.00 30.01 H new ATOM 0 HD2 LYS A 49 2.801 10.946 0.209 1.00 54.33 H new ATOM 0 HD3 LYS A 49 3.371 10.101 1.635 1.00 54.33 H new ATOM 0 HE2 LYS A 49 5.578 11.407 1.373 1.00 1.31 H new ATOM 0 HE3 LYS A 49 4.761 12.377 0.164 1.00 1.31 H new ATOM 0 HZ1 LYS A 49 4.645 13.430 2.308 1.00 61.42 H new ATOM 0 HZ2 LYS A 49 3.084 12.962 1.832 1.00 61.42 H new ATOM 0 HZ3 LYS A 49 3.923 12.058 2.999 1.00 61.42 H new ATOM 836 N VAL A 50 3.777 4.894 -0.518 1.00 31.31 N ATOM 837 CA VAL A 50 2.946 3.689 -0.387 1.00 62.45 C ATOM 838 C VAL A 50 2.408 3.587 1.049 1.00 12.33 C ATOM 839 O VAL A 50 3.079 3.998 2.011 1.00 12.45 O ATOM 840 CB VAL A 50 3.727 2.381 -0.784 1.00 3.11 C ATOM 841 CG1 VAL A 50 4.194 2.460 -2.255 1.00 45.22 C ATOM 842 CG2 VAL A 50 4.906 2.096 0.180 1.00 33.03 C ATOM 0 H VAL A 50 4.628 4.865 0.044 1.00 31.31 H new ATOM 0 HA VAL A 50 2.112 3.780 -1.082 1.00 62.45 H new ATOM 0 HB VAL A 50 3.042 1.538 -0.690 1.00 3.11 H new ATOM 0 HG11 VAL A 50 4.733 1.549 -2.515 1.00 45.22 H new ATOM 0 HG12 VAL A 50 3.327 2.568 -2.907 1.00 45.22 H new ATOM 0 HG13 VAL A 50 4.852 3.319 -2.382 1.00 45.22 H new ATOM 0 HG21 VAL A 50 5.418 1.185 -0.130 1.00 33.03 H new ATOM 0 HG22 VAL A 50 5.606 2.931 0.156 1.00 33.03 H new ATOM 0 HG23 VAL A 50 4.525 1.971 1.194 1.00 33.03 H new ATOM 852 N VAL A 51 1.184 3.057 1.185 1.00 53.25 N ATOM 853 CA VAL A 51 0.510 2.898 2.480 1.00 74.12 C ATOM 854 C VAL A 51 0.278 1.403 2.731 1.00 14.04 C ATOM 855 O VAL A 51 -0.667 0.817 2.204 1.00 3.55 O ATOM 856 CB VAL A 51 -0.861 3.672 2.497 1.00 41.21 C ATOM 857 CG1 VAL A 51 -1.547 3.566 3.866 1.00 72.22 C ATOM 858 CG2 VAL A 51 -0.686 5.142 2.074 1.00 61.21 C ATOM 0 H VAL A 51 0.631 2.725 0.395 1.00 53.25 H new ATOM 0 HA VAL A 51 1.137 3.316 3.268 1.00 74.12 H new ATOM 0 HB VAL A 51 -1.511 3.195 1.763 1.00 41.21 H new ATOM 0 HG11 VAL A 51 -2.491 4.111 3.843 1.00 72.22 H new ATOM 0 HG12 VAL A 51 -1.739 2.518 4.097 1.00 72.22 H new ATOM 0 HG13 VAL A 51 -0.899 3.993 4.632 1.00 72.22 H new ATOM 0 HG21 VAL A 51 -1.653 5.645 2.097 1.00 61.21 H new ATOM 0 HG22 VAL A 51 -0.001 5.639 2.761 1.00 61.21 H new ATOM 0 HG23 VAL A 51 -0.280 5.184 1.063 1.00 61.21 H new ATOM 868 N LEU A 52 1.146 0.802 3.539 1.00 5.30 N ATOM 869 CA LEU A 52 1.108 -0.631 3.825 1.00 45.43 C ATOM 870 C LEU A 52 0.154 -0.895 5.013 1.00 23.21 C ATOM 871 O LEU A 52 0.541 -0.773 6.184 1.00 64.12 O ATOM 872 CB LEU A 52 2.563 -1.131 4.088 1.00 75.23 C ATOM 873 CG LEU A 52 3.580 -0.949 2.904 1.00 64.12 C ATOM 874 CD1 LEU A 52 4.994 -1.436 3.276 1.00 33.10 C ATOM 875 CD2 LEU A 52 3.099 -1.649 1.629 1.00 20.53 C ATOM 0 H LEU A 52 1.900 1.296 4.017 1.00 5.30 H new ATOM 0 HA LEU A 52 0.717 -1.192 2.976 1.00 45.43 H new ATOM 0 HB2 LEU A 52 2.954 -0.607 4.960 1.00 75.23 H new ATOM 0 HB3 LEU A 52 2.521 -2.189 4.345 1.00 75.23 H new ATOM 0 HG LEU A 52 3.633 0.122 2.708 1.00 64.12 H new ATOM 0 HD11 LEU A 52 5.664 -1.291 2.428 1.00 33.10 H new ATOM 0 HD12 LEU A 52 5.362 -0.867 4.130 1.00 33.10 H new ATOM 0 HD13 LEU A 52 4.958 -2.495 3.533 1.00 33.10 H new ATOM 0 HD21 LEU A 52 3.830 -1.500 0.834 1.00 20.53 H new ATOM 0 HD22 LEU A 52 2.984 -2.716 1.821 1.00 20.53 H new ATOM 0 HD23 LEU A 52 2.140 -1.230 1.324 1.00 20.53 H new ATOM 887 N VAL A 53 -1.114 -1.210 4.673 1.00 41.14 N ATOM 888 CA VAL A 53 -2.197 -1.473 5.636 1.00 51.33 C ATOM 889 C VAL A 53 -2.296 -2.978 5.942 1.00 54.42 C ATOM 890 O VAL A 53 -2.522 -3.787 5.033 1.00 70.14 O ATOM 891 CB VAL A 53 -3.601 -0.968 5.111 1.00 2.12 C ATOM 892 CG1 VAL A 53 -4.725 -1.202 6.157 1.00 43.21 C ATOM 893 CG2 VAL A 53 -3.545 0.513 4.670 1.00 2.41 C ATOM 0 H VAL A 53 -1.416 -1.289 3.702 1.00 41.14 H new ATOM 0 HA VAL A 53 -1.948 -0.920 6.542 1.00 51.33 H new ATOM 0 HB VAL A 53 -3.845 -1.564 4.232 1.00 2.12 H new ATOM 0 HG11 VAL A 53 -5.673 -0.842 5.759 1.00 43.21 H new ATOM 0 HG12 VAL A 53 -4.804 -2.267 6.374 1.00 43.21 H new ATOM 0 HG13 VAL A 53 -4.488 -0.661 7.073 1.00 43.21 H new ATOM 0 HG21 VAL A 53 -4.528 0.824 4.315 1.00 2.41 H new ATOM 0 HG22 VAL A 53 -3.251 1.134 5.516 1.00 2.41 H new ATOM 0 HG23 VAL A 53 -2.817 0.626 3.867 1.00 2.41 H new ATOM 903 N GLY A 54 -2.121 -3.324 7.231 1.00 41.31 N ATOM 904 CA GLY A 54 -2.312 -4.688 7.738 1.00 2.53 C ATOM 905 C GLY A 54 -1.420 -5.753 7.094 1.00 34.33 C ATOM 906 O GLY A 54 -1.774 -6.937 7.094 1.00 43.42 O ATOM 0 H GLY A 54 -1.841 -2.658 7.951 1.00 41.31 H new ATOM 0 HA2 GLY A 54 -2.132 -4.688 8.813 1.00 2.53 H new ATOM 0 HA3 GLY A 54 -3.354 -4.971 7.589 1.00 2.53 H new ATOM 910 N VAL A 55 -0.256 -5.334 6.565 1.00 51.30 N ATOM 911 CA VAL A 55 0.709 -6.245 5.913 1.00 31.45 C ATOM 912 C VAL A 55 1.653 -6.848 6.969 1.00 21.23 C ATOM 913 O VAL A 55 1.803 -6.281 8.066 1.00 1.41 O ATOM 914 CB VAL A 55 1.552 -5.519 4.796 1.00 32.21 C ATOM 915 CG1 VAL A 55 0.632 -4.886 3.722 1.00 61.34 C ATOM 916 CG2 VAL A 55 2.524 -4.476 5.400 1.00 13.31 C ATOM 0 H VAL A 55 0.043 -4.359 6.576 1.00 51.30 H new ATOM 0 HA VAL A 55 0.137 -7.037 5.429 1.00 31.45 H new ATOM 0 HB VAL A 55 2.162 -6.276 4.302 1.00 32.21 H new ATOM 0 HG11 VAL A 55 1.242 -4.393 2.965 1.00 61.34 H new ATOM 0 HG12 VAL A 55 0.031 -5.665 3.253 1.00 61.34 H new ATOM 0 HG13 VAL A 55 -0.025 -4.154 4.192 1.00 61.34 H new ATOM 0 HG21 VAL A 55 3.087 -3.997 4.599 1.00 13.31 H new ATOM 0 HG22 VAL A 55 1.956 -3.722 5.945 1.00 13.31 H new ATOM 0 HG23 VAL A 55 3.214 -4.974 6.081 1.00 13.31 H new ATOM 926 N SER A 56 2.278 -7.990 6.639 1.00 70.02 N ATOM 927 CA SER A 56 3.287 -8.620 7.501 1.00 33.24 C ATOM 928 C SER A 56 4.536 -7.717 7.572 1.00 63.15 C ATOM 929 O SER A 56 4.914 -7.095 6.569 1.00 61.41 O ATOM 930 CB SER A 56 3.642 -10.025 6.962 1.00 45.14 C ATOM 931 OG SER A 56 4.112 -9.954 5.626 1.00 22.33 O ATOM 0 H SER A 56 2.099 -8.498 5.773 1.00 70.02 H new ATOM 0 HA SER A 56 2.888 -8.739 8.508 1.00 33.24 H new ATOM 0 HB2 SER A 56 4.404 -10.479 7.595 1.00 45.14 H new ATOM 0 HB3 SER A 56 2.764 -10.669 7.008 1.00 45.14 H new ATOM 0 HG SER A 56 4.332 -10.855 5.308 1.00 22.33 H new ATOM 937 N GLU A 57 5.155 -7.659 8.756 1.00 65.14 N ATOM 938 CA GLU A 57 6.262 -6.737 9.055 1.00 5.45 C ATOM 939 C GLU A 57 7.518 -7.053 8.212 1.00 10.33 C ATOM 940 O GLU A 57 8.277 -6.148 7.852 1.00 42.13 O ATOM 941 CB GLU A 57 6.561 -6.788 10.578 1.00 43.32 C ATOM 942 CG GLU A 57 7.609 -5.771 11.075 1.00 74.53 C ATOM 943 CD GLU A 57 7.303 -4.313 10.667 1.00 21.35 C ATOM 944 OE1 GLU A 57 6.198 -3.812 10.979 1.00 0.22 O ATOM 945 OE2 GLU A 57 8.180 -3.657 10.060 1.00 40.44 O ATOM 0 H GLU A 57 4.901 -8.256 9.543 1.00 65.14 H new ATOM 0 HA GLU A 57 5.965 -5.724 8.783 1.00 5.45 H new ATOM 0 HB2 GLU A 57 5.630 -6.621 11.121 1.00 43.32 H new ATOM 0 HB3 GLU A 57 6.903 -7.791 10.832 1.00 43.32 H new ATOM 0 HG2 GLU A 57 7.672 -5.829 12.162 1.00 74.53 H new ATOM 0 HG3 GLU A 57 8.587 -6.051 10.684 1.00 74.53 H new ATOM 952 N LYS A 58 7.700 -8.340 7.877 1.00 61.22 N ATOM 953 CA LYS A 58 8.829 -8.801 7.053 1.00 23.23 C ATOM 954 C LYS A 58 8.689 -8.334 5.581 1.00 40.10 C ATOM 955 O LYS A 58 9.686 -7.947 4.954 1.00 22.12 O ATOM 956 CB LYS A 58 8.982 -10.346 7.136 1.00 2.04 C ATOM 957 CG LYS A 58 7.786 -11.168 6.586 1.00 12.41 C ATOM 958 CD LYS A 58 7.997 -12.696 6.703 1.00 71.15 C ATOM 959 CE LYS A 58 9.280 -13.180 6.004 1.00 60.41 C ATOM 960 NZ LYS A 58 9.274 -12.866 4.549 1.00 42.30 N ATOM 0 H LYS A 58 7.071 -9.088 8.168 1.00 61.22 H new ATOM 0 HA LYS A 58 9.736 -8.348 7.454 1.00 23.23 H new ATOM 0 HB2 LYS A 58 9.880 -10.634 6.589 1.00 2.04 H new ATOM 0 HB3 LYS A 58 9.141 -10.622 8.178 1.00 2.04 H new ATOM 0 HG2 LYS A 58 6.882 -10.889 7.127 1.00 12.41 H new ATOM 0 HG3 LYS A 58 7.624 -10.908 5.540 1.00 12.41 H new ATOM 0 HD2 LYS A 58 8.037 -12.972 7.757 1.00 71.15 H new ATOM 0 HD3 LYS A 58 7.138 -13.210 6.271 1.00 71.15 H new ATOM 0 HE2 LYS A 58 10.146 -12.713 6.472 1.00 60.41 H new ATOM 0 HE3 LYS A 58 9.384 -14.256 6.142 1.00 60.41 H new ATOM 0 HZ1 LYS A 58 10.140 -13.239 4.110 1.00 42.30 H new ATOM 0 HZ2 LYS A 58 8.443 -13.304 4.103 1.00 42.30 H new ATOM 0 HZ3 LYS A 58 9.235 -11.835 4.416 1.00 42.30 H new ATOM 974 N LEU A 59 7.442 -8.367 5.044 1.00 44.13 N ATOM 975 CA LEU A 59 7.146 -7.869 3.680 1.00 63.43 C ATOM 976 C LEU A 59 7.202 -6.331 3.655 1.00 22.42 C ATOM 977 O LEU A 59 7.611 -5.746 2.662 1.00 41.13 O ATOM 978 CB LEU A 59 5.759 -8.376 3.162 1.00 3.23 C ATOM 979 CG LEU A 59 5.689 -9.873 2.708 1.00 70.24 C ATOM 980 CD1 LEU A 59 4.243 -10.270 2.309 1.00 23.11 C ATOM 981 CD2 LEU A 59 6.682 -10.149 1.553 1.00 21.14 C ATOM 0 H LEU A 59 6.627 -8.734 5.537 1.00 44.13 H new ATOM 0 HA LEU A 59 7.907 -8.266 3.009 1.00 63.43 H new ATOM 0 HB2 LEU A 59 5.023 -8.224 3.952 1.00 3.23 H new ATOM 0 HB3 LEU A 59 5.459 -7.750 2.322 1.00 3.23 H new ATOM 0 HG LEU A 59 5.981 -10.493 3.556 1.00 70.24 H new ATOM 0 HD11 LEU A 59 4.225 -11.315 1.998 1.00 23.11 H new ATOM 0 HD12 LEU A 59 3.580 -10.134 3.163 1.00 23.11 H new ATOM 0 HD13 LEU A 59 3.907 -9.641 1.485 1.00 23.11 H new ATOM 0 HD21 LEU A 59 6.613 -11.196 1.257 1.00 21.14 H new ATOM 0 HD22 LEU A 59 6.436 -9.514 0.702 1.00 21.14 H new ATOM 0 HD23 LEU A 59 7.697 -9.932 1.886 1.00 21.14 H new ATOM 993 N LEU A 60 6.805 -5.699 4.770 1.00 0.41 N ATOM 994 CA LEU A 60 6.839 -4.230 4.928 1.00 30.11 C ATOM 995 C LEU A 60 8.266 -3.692 4.730 1.00 1.22 C ATOM 996 O LEU A 60 8.495 -2.747 3.956 1.00 64.15 O ATOM 997 CB LEU A 60 6.272 -3.848 6.322 1.00 55.04 C ATOM 998 CG LEU A 60 6.142 -2.313 6.650 1.00 23.32 C ATOM 999 CD1 LEU A 60 4.916 -2.050 7.534 1.00 62.10 C ATOM 1000 CD2 LEU A 60 7.420 -1.735 7.316 1.00 34.43 C ATOM 0 H LEU A 60 6.450 -6.189 5.591 1.00 0.41 H new ATOM 0 HA LEU A 60 6.215 -3.770 4.162 1.00 30.11 H new ATOM 0 HB2 LEU A 60 5.285 -4.299 6.420 1.00 55.04 H new ATOM 0 HB3 LEU A 60 6.908 -4.303 7.082 1.00 55.04 H new ATOM 0 HG LEU A 60 6.015 -1.798 5.698 1.00 23.32 H new ATOM 0 HD11 LEU A 60 4.844 -0.984 7.749 1.00 62.10 H new ATOM 0 HD12 LEU A 60 4.016 -2.377 7.014 1.00 62.10 H new ATOM 0 HD13 LEU A 60 5.016 -2.603 8.468 1.00 62.10 H new ATOM 0 HD21 LEU A 60 7.276 -0.674 7.520 1.00 34.43 H new ATOM 0 HD22 LEU A 60 7.613 -2.262 8.251 1.00 34.43 H new ATOM 0 HD23 LEU A 60 8.270 -1.863 6.645 1.00 34.43 H new ATOM 1012 N GLN A 61 9.215 -4.331 5.431 1.00 31.52 N ATOM 1013 CA GLN A 61 10.644 -3.997 5.356 1.00 14.34 C ATOM 1014 C GLN A 61 11.215 -4.329 3.967 1.00 54.33 C ATOM 1015 O GLN A 61 12.089 -3.615 3.463 1.00 23.21 O ATOM 1016 CB GLN A 61 11.412 -4.734 6.478 1.00 65.23 C ATOM 1017 CG GLN A 61 10.966 -4.319 7.895 1.00 74.21 C ATOM 1018 CD GLN A 61 11.604 -5.130 9.021 1.00 25.22 C ATOM 1019 OE1 GLN A 61 10.872 -5.300 10.108 1.00 54.12 O flip ATOM 1020 NE2 GLN A 61 12.738 -5.606 8.915 1.00 4.04 N flip ATOM 0 H GLN A 61 9.010 -5.099 6.070 1.00 31.52 H new ATOM 0 HA GLN A 61 10.766 -2.924 5.504 1.00 14.34 H new ATOM 0 HB2 GLN A 61 11.271 -5.808 6.360 1.00 65.23 H new ATOM 0 HB3 GLN A 61 12.479 -4.538 6.368 1.00 65.23 H new ATOM 0 HG2 GLN A 61 11.203 -3.266 8.043 1.00 74.21 H new ATOM 0 HG3 GLN A 61 9.882 -4.415 7.964 1.00 74.21 H new ATOM 0 HE21 GLN A 61 13.276 -5.456 8.062 1.00 4.04 H new ATOM 0 HE22 GLN A 61 13.137 -6.150 9.681 1.00 4.04 H new ATOM 1029 N LYS A 62 10.685 -5.393 3.336 1.00 11.33 N ATOM 1030 CA LYS A 62 11.111 -5.790 1.988 1.00 61.13 C ATOM 1031 C LYS A 62 10.756 -4.684 0.966 1.00 21.44 C ATOM 1032 O LYS A 62 11.618 -4.246 0.218 1.00 45.32 O ATOM 1033 CB LYS A 62 10.482 -7.136 1.556 1.00 52.25 C ATOM 1034 CG LYS A 62 11.043 -7.666 0.220 1.00 51.43 C ATOM 1035 CD LYS A 62 10.410 -8.994 -0.224 1.00 50.24 C ATOM 1036 CE LYS A 62 11.156 -9.610 -1.415 1.00 64.32 C ATOM 1037 NZ LYS A 62 12.562 -9.981 -1.063 1.00 21.11 N ATOM 0 H LYS A 62 9.963 -5.990 3.740 1.00 11.33 H new ATOM 0 HA LYS A 62 12.192 -5.925 2.013 1.00 61.13 H new ATOM 0 HB2 LYS A 62 10.655 -7.878 2.336 1.00 52.25 H new ATOM 0 HB3 LYS A 62 9.403 -7.014 1.467 1.00 52.25 H new ATOM 0 HG2 LYS A 62 10.881 -6.918 -0.556 1.00 51.43 H new ATOM 0 HG3 LYS A 62 12.121 -7.799 0.314 1.00 51.43 H new ATOM 0 HD2 LYS A 62 10.414 -9.696 0.610 1.00 50.24 H new ATOM 0 HD3 LYS A 62 9.367 -8.827 -0.495 1.00 50.24 H new ATOM 0 HE2 LYS A 62 10.622 -10.496 -1.758 1.00 64.32 H new ATOM 0 HE3 LYS A 62 11.164 -8.902 -2.244 1.00 64.32 H new ATOM 0 HZ1 LYS A 62 12.936 -10.640 -1.775 1.00 21.11 H new ATOM 0 HZ2 LYS A 62 13.152 -9.125 -1.040 1.00 21.11 H new ATOM 0 HZ3 LYS A 62 12.577 -10.437 -0.128 1.00 21.11 H new ATOM 1051 N ILE A 63 9.484 -4.217 0.997 1.00 22.11 N ATOM 1052 CA ILE A 63 8.967 -3.166 0.083 1.00 60.25 C ATOM 1053 C ILE A 63 9.794 -1.850 0.221 1.00 30.22 C ATOM 1054 O ILE A 63 10.117 -1.210 -0.789 1.00 2.34 O ATOM 1055 CB ILE A 63 7.393 -2.919 0.300 1.00 74.15 C ATOM 1056 CG1 ILE A 63 6.505 -3.927 -0.533 1.00 71.15 C ATOM 1057 CG2 ILE A 63 6.961 -1.454 -0.021 1.00 32.21 C ATOM 1058 CD1 ILE A 63 6.692 -5.415 -0.238 1.00 44.00 C ATOM 0 H ILE A 63 8.786 -4.558 1.657 1.00 22.11 H new ATOM 0 HA ILE A 63 9.090 -3.519 -0.941 1.00 60.25 H new ATOM 0 HB ILE A 63 7.221 -3.099 1.361 1.00 74.15 H new ATOM 0 HG12 ILE A 63 5.458 -3.676 -0.365 1.00 71.15 H new ATOM 0 HG13 ILE A 63 6.706 -3.762 -1.592 1.00 71.15 H new ATOM 0 HG21 ILE A 63 5.889 -1.347 0.143 1.00 32.21 H new ATOM 0 HG22 ILE A 63 7.499 -0.765 0.630 1.00 32.21 H new ATOM 0 HG23 ILE A 63 7.193 -1.226 -1.061 1.00 32.21 H new ATOM 0 HD11 ILE A 63 6.027 -5.998 -0.874 1.00 44.00 H new ATOM 0 HD12 ILE A 63 7.725 -5.698 -0.437 1.00 44.00 H new ATOM 0 HD13 ILE A 63 6.457 -5.611 0.808 1.00 44.00 H new ATOM 1070 N LYS A 64 10.177 -1.480 1.469 1.00 32.11 N ATOM 1071 CA LYS A 64 10.911 -0.213 1.725 1.00 31.13 C ATOM 1072 C LYS A 64 12.381 -0.303 1.269 1.00 0.01 C ATOM 1073 O LYS A 64 12.988 0.720 0.942 1.00 55.23 O ATOM 1074 CB LYS A 64 10.759 0.239 3.217 1.00 43.12 C ATOM 1075 CG LYS A 64 11.493 -0.564 4.314 1.00 10.42 C ATOM 1076 CD LYS A 64 12.950 -0.110 4.560 1.00 51.23 C ATOM 1077 CE LYS A 64 13.622 -0.909 5.678 1.00 60.35 C ATOM 1078 NZ LYS A 64 15.061 -0.550 5.831 1.00 5.54 N ATOM 0 H LYS A 64 9.993 -2.033 2.306 1.00 32.11 H new ATOM 0 HA LYS A 64 10.456 0.568 1.117 1.00 31.13 H new ATOM 0 HB2 LYS A 64 11.094 1.274 3.285 1.00 43.12 H new ATOM 0 HB3 LYS A 64 9.696 0.232 3.458 1.00 43.12 H new ATOM 0 HG2 LYS A 64 10.935 -0.479 5.246 1.00 10.42 H new ATOM 0 HG3 LYS A 64 11.494 -1.619 4.038 1.00 10.42 H new ATOM 0 HD2 LYS A 64 13.524 -0.222 3.640 1.00 51.23 H new ATOM 0 HD3 LYS A 64 12.961 0.950 4.816 1.00 51.23 H new ATOM 0 HE2 LYS A 64 13.101 -0.727 6.618 1.00 60.35 H new ATOM 0 HE3 LYS A 64 13.534 -1.975 5.466 1.00 60.35 H new ATOM 0 HZ1 LYS A 64 15.480 -1.113 6.598 1.00 5.54 H new ATOM 0 HZ2 LYS A 64 15.564 -0.747 4.943 1.00 5.54 H new ATOM 0 HZ3 LYS A 64 15.144 0.461 6.059 1.00 5.54 H new ATOM 1092 N GLN A 65 12.951 -1.521 1.266 1.00 62.53 N ATOM 1093 CA GLN A 65 14.314 -1.753 0.729 1.00 13.14 C ATOM 1094 C GLN A 65 14.294 -1.772 -0.820 1.00 21.55 C ATOM 1095 O GLN A 65 15.020 -1.012 -1.475 1.00 14.15 O ATOM 1096 CB GLN A 65 14.900 -3.079 1.291 1.00 14.34 C ATOM 1097 CG GLN A 65 15.081 -3.099 2.821 1.00 24.14 C ATOM 1098 CD GLN A 65 15.556 -4.449 3.369 1.00 13.45 C ATOM 1099 OE1 GLN A 65 16.757 -4.699 3.501 1.00 2.20 O ATOM 1100 NE2 GLN A 65 14.620 -5.344 3.658 1.00 21.11 N ATOM 0 H GLN A 65 12.496 -2.360 1.626 1.00 62.53 H new ATOM 0 HA GLN A 65 14.956 -0.933 1.049 1.00 13.14 H new ATOM 0 HB2 GLN A 65 14.245 -3.901 1.004 1.00 14.34 H new ATOM 0 HB3 GLN A 65 15.866 -3.263 0.821 1.00 14.34 H new ATOM 0 HG2 GLN A 65 15.800 -2.330 3.103 1.00 24.14 H new ATOM 0 HG3 GLN A 65 14.134 -2.838 3.293 1.00 24.14 H new ATOM 0 HE21 GLN A 65 13.635 -5.108 3.539 1.00 21.11 H new ATOM 0 HE22 GLN A 65 14.886 -6.268 3.999 1.00 21.11 H new ATOM 1109 N GLU A 66 13.408 -2.610 -1.375 1.00 10.43 N ATOM 1110 CA GLU A 66 13.352 -2.923 -2.816 1.00 45.23 C ATOM 1111 C GLU A 66 12.931 -1.703 -3.662 1.00 35.44 C ATOM 1112 O GLU A 66 13.580 -1.381 -4.665 1.00 64.35 O ATOM 1113 CB GLU A 66 12.363 -4.093 -3.047 1.00 65.23 C ATOM 1114 CG GLU A 66 12.792 -5.444 -2.442 1.00 62.13 C ATOM 1115 CD GLU A 66 13.989 -6.085 -3.158 1.00 31.53 C ATOM 1116 OE1 GLU A 66 13.780 -6.731 -4.208 1.00 74.13 O ATOM 1117 OE2 GLU A 66 15.138 -5.955 -2.684 1.00 44.51 O ATOM 0 H GLU A 66 12.698 -3.099 -0.830 1.00 10.43 H new ATOM 0 HA GLU A 66 14.354 -3.207 -3.136 1.00 45.23 H new ATOM 0 HB2 GLU A 66 11.395 -3.817 -2.629 1.00 65.23 H new ATOM 0 HB3 GLU A 66 12.222 -4.222 -4.120 1.00 65.23 H new ATOM 0 HG2 GLU A 66 13.043 -5.299 -1.391 1.00 62.13 H new ATOM 0 HG3 GLU A 66 11.948 -6.132 -2.476 1.00 62.13 H new ATOM 1124 N ALA A 67 11.834 -1.041 -3.254 1.00 24.43 N ATOM 1125 CA ALA A 67 11.282 0.119 -3.982 1.00 64.21 C ATOM 1126 C ALA A 67 11.918 1.441 -3.501 1.00 21.34 C ATOM 1127 O ALA A 67 12.010 2.402 -4.279 1.00 21.13 O ATOM 1128 CB ALA A 67 9.756 0.162 -3.810 1.00 55.42 C ATOM 0 H ALA A 67 11.307 -1.291 -2.417 1.00 24.43 H new ATOM 0 HA ALA A 67 11.521 0.005 -5.039 1.00 64.21 H new ATOM 0 HB1 ALA A 67 9.353 1.020 -4.349 1.00 55.42 H new ATOM 0 HB2 ALA A 67 9.319 -0.754 -4.207 1.00 55.42 H new ATOM 0 HB3 ALA A 67 9.512 0.251 -2.752 1.00 55.42 H new ATOM 1134 N ASN A 68 12.360 1.458 -2.219 1.00 64.14 N ATOM 1135 CA ASN A 68 12.992 2.635 -1.560 1.00 52.11 C ATOM 1136 C ASN A 68 12.080 3.886 -1.657 1.00 51.44 C ATOM 1137 O ASN A 68 12.452 4.934 -2.209 1.00 24.12 O ATOM 1138 CB ASN A 68 14.428 2.888 -2.118 1.00 3.23 C ATOM 1139 CG ASN A 68 15.231 3.967 -1.365 1.00 51.25 C ATOM 1140 OD1 ASN A 68 15.069 4.171 -0.157 1.00 41.44 O ATOM 1141 ND2 ASN A 68 16.117 4.657 -2.072 1.00 15.13 N ATOM 0 H ASN A 68 12.288 0.647 -1.604 1.00 64.14 H new ATOM 0 HA ASN A 68 13.106 2.415 -0.498 1.00 52.11 H new ATOM 0 HB2 ASN A 68 14.985 1.952 -2.087 1.00 3.23 H new ATOM 0 HB3 ASN A 68 14.350 3.178 -3.166 1.00 3.23 H new ATOM 0 HD21 ASN A 68 16.683 5.375 -1.619 1.00 15.13 H new ATOM 0 HD22 ASN A 68 16.232 4.470 -3.068 1.00 15.13 H new ATOM 1148 N VAL A 69 10.853 3.727 -1.133 1.00 3.45 N ATOM 1149 CA VAL A 69 9.788 4.763 -1.171 1.00 41.11 C ATOM 1150 C VAL A 69 9.258 5.044 0.250 1.00 32.05 C ATOM 1151 O VAL A 69 9.548 4.273 1.176 1.00 42.53 O ATOM 1152 CB VAL A 69 8.610 4.334 -2.126 1.00 50.15 C ATOM 1153 CG1 VAL A 69 9.075 4.278 -3.602 1.00 25.43 C ATOM 1154 CG2 VAL A 69 7.998 2.983 -1.682 1.00 53.32 C ATOM 0 H VAL A 69 10.562 2.869 -0.664 1.00 3.45 H new ATOM 0 HA VAL A 69 10.224 5.680 -1.568 1.00 41.11 H new ATOM 0 HB VAL A 69 7.832 5.094 -2.054 1.00 50.15 H new ATOM 0 HG11 VAL A 69 8.240 3.979 -4.235 1.00 25.43 H new ATOM 0 HG12 VAL A 69 9.430 5.262 -3.909 1.00 25.43 H new ATOM 0 HG13 VAL A 69 9.883 3.554 -3.702 1.00 25.43 H new ATOM 0 HG21 VAL A 69 7.188 2.711 -2.358 1.00 53.32 H new ATOM 0 HG22 VAL A 69 8.766 2.210 -1.707 1.00 53.32 H new ATOM 0 HG23 VAL A 69 7.609 3.076 -0.668 1.00 53.32 H new ATOM 1164 N GLN A 70 8.503 6.155 0.415 1.00 4.23 N ATOM 1165 CA GLN A 70 7.949 6.554 1.723 1.00 54.22 C ATOM 1166 C GLN A 70 6.831 5.586 2.153 1.00 1.24 C ATOM 1167 O GLN A 70 5.764 5.535 1.538 1.00 42.32 O ATOM 1168 CB GLN A 70 7.429 8.017 1.683 1.00 1.05 C ATOM 1169 CG GLN A 70 8.503 9.090 1.368 1.00 11.43 C ATOM 1170 CD GLN A 70 9.603 9.266 2.438 1.00 40.15 C ATOM 1171 OE1 GLN A 70 9.985 8.329 3.148 1.00 30.40 O ATOM 1172 NE2 GLN A 70 10.125 10.479 2.564 1.00 35.24 N ATOM 0 H GLN A 70 8.265 6.791 -0.346 1.00 4.23 H new ATOM 0 HA GLN A 70 8.749 6.504 2.462 1.00 54.22 H new ATOM 0 HB2 GLN A 70 6.640 8.085 0.934 1.00 1.05 H new ATOM 0 HB3 GLN A 70 6.976 8.251 2.646 1.00 1.05 H new ATOM 0 HG2 GLN A 70 8.979 8.835 0.421 1.00 11.43 H new ATOM 0 HG3 GLN A 70 8.003 10.048 1.225 1.00 11.43 H new ATOM 0 HE21 GLN A 70 9.797 11.240 1.969 1.00 35.24 H new ATOM 0 HE22 GLN A 70 10.855 10.651 3.256 1.00 35.24 H new ATOM 1181 N VAL A 71 7.102 4.830 3.227 1.00 2.13 N ATOM 1182 CA VAL A 71 6.199 3.787 3.751 1.00 34.24 C ATOM 1183 C VAL A 71 5.373 4.324 4.923 1.00 1.15 C ATOM 1184 O VAL A 71 5.914 4.957 5.835 1.00 60.12 O ATOM 1185 CB VAL A 71 7.012 2.515 4.206 1.00 13.45 C ATOM 1186 CG1 VAL A 71 6.135 1.498 4.984 1.00 11.12 C ATOM 1187 CG2 VAL A 71 7.682 1.851 2.988 1.00 24.21 C ATOM 0 H VAL A 71 7.964 4.924 3.765 1.00 2.13 H new ATOM 0 HA VAL A 71 5.522 3.498 2.947 1.00 34.24 H new ATOM 0 HB VAL A 71 7.785 2.850 4.898 1.00 13.45 H new ATOM 0 HG11 VAL A 71 6.743 0.641 5.274 1.00 11.12 H new ATOM 0 HG12 VAL A 71 5.730 1.975 5.877 1.00 11.12 H new ATOM 0 HG13 VAL A 71 5.315 1.163 4.348 1.00 11.12 H new ATOM 0 HG21 VAL A 71 8.241 0.974 3.314 1.00 24.21 H new ATOM 0 HG22 VAL A 71 6.918 1.549 2.272 1.00 24.21 H new ATOM 0 HG23 VAL A 71 8.362 2.560 2.516 1.00 24.21 H new ATOM 1197 N TYR A 72 4.058 4.079 4.868 1.00 54.12 N ATOM 1198 CA TYR A 72 3.123 4.390 5.951 1.00 2.11 C ATOM 1199 C TYR A 72 2.490 3.082 6.442 1.00 64.34 C ATOM 1200 O TYR A 72 1.616 2.524 5.767 1.00 54.32 O ATOM 1201 CB TYR A 72 2.044 5.388 5.440 1.00 64.23 C ATOM 1202 CG TYR A 72 2.612 6.760 5.051 1.00 75.04 C ATOM 1203 CD1 TYR A 72 3.231 6.968 3.814 1.00 11.13 C ATOM 1204 CD2 TYR A 72 2.546 7.842 5.929 1.00 10.33 C ATOM 1205 CE1 TYR A 72 3.757 8.198 3.476 1.00 52.13 C ATOM 1206 CE2 TYR A 72 3.069 9.073 5.591 1.00 53.51 C ATOM 1207 CZ TYR A 72 3.673 9.247 4.366 1.00 44.22 C ATOM 1208 OH TYR A 72 4.202 10.476 4.036 1.00 73.41 O ATOM 0 H TYR A 72 3.609 3.653 4.057 1.00 54.12 H new ATOM 0 HA TYR A 72 3.644 4.862 6.784 1.00 2.11 H new ATOM 0 HB2 TYR A 72 1.540 4.954 4.576 1.00 64.23 H new ATOM 0 HB3 TYR A 72 1.289 5.523 6.215 1.00 64.23 H new ATOM 0 HD1 TYR A 72 3.298 6.151 3.111 1.00 11.13 H new ATOM 0 HD2 TYR A 72 2.076 7.713 6.893 1.00 10.33 H new ATOM 0 HE1 TYR A 72 4.233 8.338 2.517 1.00 52.13 H new ATOM 0 HE2 TYR A 72 3.005 9.898 6.285 1.00 53.51 H new ATOM 0 HH TYR A 72 4.056 11.104 4.774 1.00 73.41 H new ATOM 1218 N ARG A 73 2.971 2.570 7.595 1.00 10.44 N ATOM 1219 CA ARG A 73 2.382 1.381 8.230 1.00 32.23 C ATOM 1220 C ARG A 73 1.075 1.799 8.900 1.00 62.33 C ATOM 1221 O ARG A 73 1.080 2.526 9.904 1.00 41.41 O ATOM 1222 CB ARG A 73 3.318 0.732 9.286 1.00 0.24 C ATOM 1223 CG ARG A 73 2.700 -0.517 9.975 1.00 65.45 C ATOM 1224 CD ARG A 73 3.649 -1.219 10.962 1.00 10.24 C ATOM 1225 NE ARG A 73 3.971 -0.390 12.130 1.00 52.01 N ATOM 1226 CZ ARG A 73 4.808 -0.747 13.122 1.00 61.12 C ATOM 1227 NH1 ARG A 73 5.449 -1.917 13.093 1.00 20.10 N ATOM 1228 NH2 ARG A 73 5.026 0.099 14.122 1.00 33.00 N ATOM 0 H ARG A 73 3.764 2.964 8.101 1.00 10.44 H new ATOM 0 HA ARG A 73 2.216 0.632 7.455 1.00 32.23 H new ATOM 0 HB2 ARG A 73 4.253 0.447 8.805 1.00 0.24 H new ATOM 0 HB3 ARG A 73 3.564 1.473 10.047 1.00 0.24 H new ATOM 0 HG2 ARG A 73 1.797 -0.217 10.506 1.00 65.45 H new ATOM 0 HG3 ARG A 73 2.397 -1.230 9.208 1.00 65.45 H new ATOM 0 HD2 ARG A 73 3.192 -2.150 11.298 1.00 10.24 H new ATOM 0 HD3 ARG A 73 4.571 -1.485 10.445 1.00 10.24 H new ATOM 0 HE ARG A 73 3.527 0.526 12.195 1.00 52.01 H new ATOM 0 HH11 ARG A 73 5.308 -2.556 12.311 1.00 20.10 H new ATOM 0 HH12 ARG A 73 6.080 -2.172 13.853 1.00 20.10 H new ATOM 0 HH21 ARG A 73 4.562 1.007 14.132 1.00 33.00 H new ATOM 0 HH22 ARG A 73 5.658 -0.159 14.880 1.00 33.00 H new ATOM 1242 N VAL A 74 -0.034 1.369 8.311 1.00 34.22 N ATOM 1243 CA VAL A 74 -1.374 1.715 8.775 1.00 20.01 C ATOM 1244 C VAL A 74 -2.106 0.452 9.257 1.00 72.11 C ATOM 1245 O VAL A 74 -2.043 -0.600 8.623 1.00 24.35 O ATOM 1246 CB VAL A 74 -2.151 2.448 7.627 1.00 52.54 C ATOM 1247 CG1 VAL A 74 -3.651 2.590 7.933 1.00 45.00 C ATOM 1248 CG2 VAL A 74 -1.500 3.824 7.336 1.00 30.25 C ATOM 0 H VAL A 74 -0.030 0.764 7.490 1.00 34.22 H new ATOM 0 HA VAL A 74 -1.312 2.396 9.624 1.00 20.01 H new ATOM 0 HB VAL A 74 -2.079 1.830 6.732 1.00 52.54 H new ATOM 0 HG11 VAL A 74 -4.144 3.104 7.108 1.00 45.00 H new ATOM 0 HG12 VAL A 74 -4.092 1.601 8.060 1.00 45.00 H new ATOM 0 HG13 VAL A 74 -3.783 3.166 8.849 1.00 45.00 H new ATOM 0 HG21 VAL A 74 -2.048 4.324 6.537 1.00 30.25 H new ATOM 0 HG22 VAL A 74 -1.530 4.438 8.236 1.00 30.25 H new ATOM 0 HG23 VAL A 74 -0.464 3.679 7.030 1.00 30.25 H new ATOM 1258 N THR A 75 -2.731 0.563 10.427 1.00 11.41 N ATOM 1259 CA THR A 75 -3.573 -0.484 11.023 1.00 5.25 C ATOM 1260 C THR A 75 -4.981 0.077 11.329 1.00 72.24 C ATOM 1261 O THR A 75 -5.890 -0.673 11.713 1.00 32.13 O ATOM 1262 CB THR A 75 -2.911 -1.013 12.335 1.00 20.51 C ATOM 1263 OG1 THR A 75 -2.584 0.104 13.182 1.00 62.21 O ATOM 1264 CG2 THR A 75 -1.629 -1.827 12.058 1.00 3.11 C ATOM 0 H THR A 75 -2.668 1.401 11.004 1.00 11.41 H new ATOM 0 HA THR A 75 -3.669 -1.308 10.316 1.00 5.25 H new ATOM 0 HB THR A 75 -3.626 -1.676 12.822 1.00 20.51 H new ATOM 0 HG1 THR A 75 -2.170 -0.222 14.008 1.00 62.21 H new ATOM 0 HG21 THR A 75 -1.206 -2.173 13.001 1.00 3.11 H new ATOM 0 HG22 THR A 75 -1.872 -2.686 11.433 1.00 3.11 H new ATOM 0 HG23 THR A 75 -0.902 -1.198 11.544 1.00 3.11 H new ATOM 1272 N SER A 76 -5.152 1.404 11.157 1.00 25.41 N ATOM 1273 CA SER A 76 -6.421 2.104 11.431 1.00 74.20 C ATOM 1274 C SER A 76 -6.747 3.067 10.282 1.00 23.24 C ATOM 1275 O SER A 76 -5.841 3.727 9.754 1.00 65.51 O ATOM 1276 CB SER A 76 -6.321 2.882 12.763 1.00 64.04 C ATOM 1277 OG SER A 76 -5.306 3.860 12.702 1.00 4.31 O ATOM 0 H SER A 76 -4.411 2.021 10.823 1.00 25.41 H new ATOM 0 HA SER A 76 -7.220 1.368 11.513 1.00 74.20 H new ATOM 0 HB2 SER A 76 -7.277 3.358 12.983 1.00 64.04 H new ATOM 0 HB3 SER A 76 -6.115 2.189 13.579 1.00 64.04 H new ATOM 0 HG SER A 76 -4.459 3.437 12.451 1.00 4.31 H new ATOM 1283 N ASN A 77 -8.050 3.163 9.925 1.00 50.05 N ATOM 1284 CA ASN A 77 -8.537 4.055 8.846 1.00 21.30 C ATOM 1285 C ASN A 77 -8.107 5.514 9.069 1.00 0.14 C ATOM 1286 O ASN A 77 -7.895 6.231 8.103 1.00 11.10 O ATOM 1287 CB ASN A 77 -10.082 3.993 8.689 1.00 4.12 C ATOM 1288 CG ASN A 77 -10.587 2.641 8.191 1.00 3.41 C ATOM 1289 OD1 ASN A 77 -10.639 2.387 6.986 1.00 24.44 O ATOM 1290 ND2 ASN A 77 -10.984 1.776 9.106 1.00 22.00 N ATOM 0 H ASN A 77 -8.791 2.626 10.376 1.00 50.05 H new ATOM 0 HA ASN A 77 -8.078 3.689 7.928 1.00 21.30 H new ATOM 0 HB2 ASN A 77 -10.547 4.215 9.650 1.00 4.12 H new ATOM 0 HB3 ASN A 77 -10.401 4.770 7.994 1.00 4.12 H new ATOM 0 HD21 ASN A 77 -11.347 0.866 8.824 1.00 22.00 H new ATOM 0 HD22 ASN A 77 -10.927 2.018 10.095 1.00 22.00 H new ATOM 1297 N ASP A 78 -7.955 5.917 10.353 1.00 21.12 N ATOM 1298 CA ASP A 78 -7.496 7.275 10.744 1.00 42.31 C ATOM 1299 C ASP A 78 -6.214 7.675 9.992 1.00 25.13 C ATOM 1300 O ASP A 78 -6.184 8.694 9.300 1.00 31.02 O ATOM 1301 CB ASP A 78 -7.232 7.368 12.272 1.00 22.30 C ATOM 1302 CG ASP A 78 -8.479 7.081 13.118 1.00 32.13 C ATOM 1303 OD1 ASP A 78 -8.730 5.899 13.431 1.00 75.25 O ATOM 1304 OD2 ASP A 78 -9.225 8.027 13.454 1.00 52.24 O ATOM 0 H ASP A 78 -8.147 5.310 11.150 1.00 21.12 H new ATOM 0 HA ASP A 78 -8.298 7.962 10.476 1.00 42.31 H new ATOM 0 HB2 ASP A 78 -6.447 6.662 12.542 1.00 22.30 H new ATOM 0 HB3 ASP A 78 -6.860 8.365 12.510 1.00 22.30 H new ATOM 1309 N GLU A 79 -5.201 6.796 10.082 1.00 42.30 N ATOM 1310 CA GLU A 79 -3.863 7.011 9.497 1.00 41.41 C ATOM 1311 C GLU A 79 -3.958 7.047 7.956 1.00 74.41 C ATOM 1312 O GLU A 79 -3.437 7.963 7.310 1.00 11.13 O ATOM 1313 CB GLU A 79 -2.906 5.878 9.969 1.00 74.24 C ATOM 1314 CG GLU A 79 -2.869 5.675 11.496 1.00 15.04 C ATOM 1315 CD GLU A 79 -2.023 4.466 11.931 1.00 42.31 C ATOM 1316 OE1 GLU A 79 -2.476 3.322 11.728 1.00 23.33 O ATOM 1317 OE2 GLU A 79 -0.913 4.651 12.483 1.00 1.21 O ATOM 0 H GLU A 79 -5.288 5.904 10.569 1.00 42.30 H new ATOM 0 HA GLU A 79 -3.465 7.969 9.833 1.00 41.41 H new ATOM 0 HB2 GLU A 79 -3.208 4.943 9.497 1.00 74.24 H new ATOM 0 HB3 GLU A 79 -1.898 6.101 9.619 1.00 74.24 H new ATOM 0 HG2 GLU A 79 -2.472 6.575 11.965 1.00 15.04 H new ATOM 0 HG3 GLU A 79 -3.887 5.547 11.863 1.00 15.04 H new ATOM 1324 N LEU A 80 -4.702 6.060 7.415 1.00 70.23 N ATOM 1325 CA LEU A 80 -4.950 5.873 5.965 1.00 60.22 C ATOM 1326 C LEU A 80 -5.517 7.163 5.327 1.00 30.30 C ATOM 1327 O LEU A 80 -4.999 7.646 4.312 1.00 13.23 O ATOM 1328 CB LEU A 80 -5.923 4.655 5.800 1.00 61.55 C ATOM 1329 CG LEU A 80 -6.326 4.161 4.360 1.00 40.34 C ATOM 1330 CD1 LEU A 80 -7.565 4.876 3.814 1.00 14.01 C ATOM 1331 CD2 LEU A 80 -5.148 4.244 3.362 1.00 75.14 C ATOM 0 H LEU A 80 -5.160 5.351 7.987 1.00 70.23 H new ATOM 0 HA LEU A 80 -4.017 5.665 5.441 1.00 60.22 H new ATOM 0 HB2 LEU A 80 -5.474 3.808 6.320 1.00 61.55 H new ATOM 0 HB3 LEU A 80 -6.844 4.902 6.328 1.00 61.55 H new ATOM 0 HG LEU A 80 -6.589 3.109 4.471 1.00 40.34 H new ATOM 0 HD11 LEU A 80 -7.796 4.495 2.819 1.00 14.01 H new ATOM 0 HD12 LEU A 80 -8.411 4.695 4.477 1.00 14.01 H new ATOM 0 HD13 LEU A 80 -7.371 5.947 3.757 1.00 14.01 H new ATOM 0 HD21 LEU A 80 -5.475 3.893 2.383 1.00 75.14 H new ATOM 0 HD22 LEU A 80 -4.811 5.277 3.283 1.00 75.14 H new ATOM 0 HD23 LEU A 80 -4.327 3.620 3.716 1.00 75.14 H new ATOM 1343 N GLU A 81 -6.548 7.727 5.981 1.00 3.04 N ATOM 1344 CA GLU A 81 -7.262 8.924 5.509 1.00 4.32 C ATOM 1345 C GLU A 81 -6.350 10.161 5.525 1.00 50.23 C ATOM 1346 O GLU A 81 -6.414 10.985 4.610 1.00 42.43 O ATOM 1347 CB GLU A 81 -8.524 9.159 6.379 1.00 34.35 C ATOM 1348 CG GLU A 81 -9.573 8.029 6.296 1.00 23.31 C ATOM 1349 CD GLU A 81 -10.714 8.184 7.312 1.00 34.34 C ATOM 1350 OE1 GLU A 81 -10.453 8.072 8.529 1.00 3.21 O ATOM 1351 OE2 GLU A 81 -11.878 8.411 6.910 1.00 34.12 O ATOM 0 H GLU A 81 -6.912 7.360 6.861 1.00 3.04 H new ATOM 0 HA GLU A 81 -7.569 8.759 4.476 1.00 4.32 H new ATOM 0 HB2 GLU A 81 -8.217 9.278 7.418 1.00 34.35 H new ATOM 0 HB3 GLU A 81 -8.991 10.096 6.075 1.00 34.35 H new ATOM 0 HG2 GLU A 81 -9.992 8.005 5.290 1.00 23.31 H new ATOM 0 HG3 GLU A 81 -9.079 7.071 6.458 1.00 23.31 H new ATOM 1358 N GLN A 82 -5.482 10.259 6.553 1.00 11.40 N ATOM 1359 CA GLN A 82 -4.580 11.414 6.726 1.00 44.15 C ATOM 1360 C GLN A 82 -3.492 11.443 5.635 1.00 30.54 C ATOM 1361 O GLN A 82 -3.101 12.524 5.187 1.00 14.24 O ATOM 1362 CB GLN A 82 -3.932 11.431 8.137 1.00 21.40 C ATOM 1363 CG GLN A 82 -4.929 11.578 9.313 1.00 51.42 C ATOM 1364 CD GLN A 82 -5.809 12.840 9.279 1.00 64.34 C ATOM 1365 OE1 GLN A 82 -6.956 12.823 9.736 1.00 43.02 O ATOM 1366 NE2 GLN A 82 -5.280 13.956 8.793 1.00 12.21 N ATOM 0 H GLN A 82 -5.388 9.548 7.278 1.00 11.40 H new ATOM 0 HA GLN A 82 -5.190 12.312 6.626 1.00 44.15 H new ATOM 0 HB2 GLN A 82 -3.367 10.509 8.272 1.00 21.40 H new ATOM 0 HB3 GLN A 82 -3.217 12.252 8.182 1.00 21.40 H new ATOM 0 HG2 GLN A 82 -5.579 10.703 9.328 1.00 51.42 H new ATOM 0 HG3 GLN A 82 -4.367 11.573 10.247 1.00 51.42 H new ATOM 0 HE21 GLN A 82 -4.331 13.950 8.420 1.00 12.21 H new ATOM 0 HE22 GLN A 82 -5.823 14.820 8.793 1.00 12.21 H new ATOM 1375 N VAL A 83 -3.019 10.252 5.203 1.00 1.44 N ATOM 1376 CA VAL A 83 -2.017 10.149 4.113 1.00 32.12 C ATOM 1377 C VAL A 83 -2.647 10.592 2.768 1.00 0.43 C ATOM 1378 O VAL A 83 -1.979 11.210 1.927 1.00 5.03 O ATOM 1379 CB VAL A 83 -1.415 8.698 3.961 1.00 52.04 C ATOM 1380 CG1 VAL A 83 -0.230 8.680 2.961 1.00 53.04 C ATOM 1381 CG2 VAL A 83 -0.988 8.114 5.321 1.00 41.25 C ATOM 0 H VAL A 83 -3.311 9.354 5.588 1.00 1.44 H new ATOM 0 HA VAL A 83 -1.195 10.812 4.383 1.00 32.12 H new ATOM 0 HB VAL A 83 -2.206 8.064 3.560 1.00 52.04 H new ATOM 0 HG11 VAL A 83 0.162 7.666 2.879 1.00 53.04 H new ATOM 0 HG12 VAL A 83 -0.574 9.016 1.983 1.00 53.04 H new ATOM 0 HG13 VAL A 83 0.557 9.345 3.317 1.00 53.04 H new ATOM 0 HG21 VAL A 83 -0.579 7.114 5.175 1.00 41.25 H new ATOM 0 HG22 VAL A 83 -0.229 8.755 5.770 1.00 41.25 H new ATOM 0 HG23 VAL A 83 -1.854 8.059 5.981 1.00 41.25 H new ATOM 1391 N VAL A 84 -3.950 10.290 2.588 1.00 65.54 N ATOM 1392 CA VAL A 84 -4.708 10.710 1.389 1.00 1.34 C ATOM 1393 C VAL A 84 -5.004 12.235 1.441 1.00 43.51 C ATOM 1394 O VAL A 84 -5.076 12.894 0.400 1.00 34.12 O ATOM 1395 CB VAL A 84 -6.034 9.872 1.203 1.00 53.03 C ATOM 1396 CG1 VAL A 84 -6.776 10.248 -0.106 1.00 53.11 C ATOM 1397 CG2 VAL A 84 -5.738 8.349 1.251 1.00 64.34 C ATOM 0 H VAL A 84 -4.501 9.755 3.260 1.00 65.54 H new ATOM 0 HA VAL A 84 -4.086 10.510 0.516 1.00 1.34 H new ATOM 0 HB VAL A 84 -6.694 10.121 2.034 1.00 53.03 H new ATOM 0 HG11 VAL A 84 -7.682 9.649 -0.196 1.00 53.11 H new ATOM 0 HG12 VAL A 84 -7.041 11.305 -0.083 1.00 53.11 H new ATOM 0 HG13 VAL A 84 -6.127 10.055 -0.960 1.00 53.11 H new ATOM 0 HG21 VAL A 84 -6.667 7.794 1.121 1.00 64.34 H new ATOM 0 HG22 VAL A 84 -5.044 8.088 0.452 1.00 64.34 H new ATOM 0 HG23 VAL A 84 -5.295 8.095 2.214 1.00 64.34 H new ATOM 1407 N LYS A 85 -5.135 12.796 2.668 1.00 73.01 N ATOM 1408 CA LYS A 85 -5.244 14.265 2.867 1.00 32.34 C ATOM 1409 C LYS A 85 -3.895 14.950 2.565 1.00 52.20 C ATOM 1410 O LYS A 85 -3.857 16.112 2.142 1.00 43.24 O ATOM 1411 CB LYS A 85 -5.712 14.625 4.312 1.00 2.44 C ATOM 1412 CG LYS A 85 -7.146 14.158 4.662 1.00 73.14 C ATOM 1413 CD LYS A 85 -7.672 14.725 6.002 1.00 33.52 C ATOM 1414 CE LYS A 85 -7.856 16.247 5.970 1.00 41.00 C ATOM 1415 NZ LYS A 85 -8.483 16.763 7.217 1.00 41.13 N ATOM 0 H LYS A 85 -5.168 12.257 3.533 1.00 73.01 H new ATOM 0 HA LYS A 85 -6.000 14.631 2.172 1.00 32.34 H new ATOM 0 HB2 LYS A 85 -5.016 14.183 5.025 1.00 2.44 H new ATOM 0 HB3 LYS A 85 -5.655 15.706 4.439 1.00 2.44 H new ATOM 0 HG2 LYS A 85 -7.822 14.456 3.861 1.00 73.14 H new ATOM 0 HG3 LYS A 85 -7.164 13.069 4.706 1.00 73.14 H new ATOM 0 HD2 LYS A 85 -8.625 14.253 6.242 1.00 33.52 H new ATOM 0 HD3 LYS A 85 -6.977 14.464 6.800 1.00 33.52 H new ATOM 0 HE2 LYS A 85 -6.887 16.726 5.827 1.00 41.00 H new ATOM 0 HE3 LYS A 85 -8.475 16.519 5.115 1.00 41.00 H new ATOM 0 HZ1 LYS A 85 -8.588 17.796 7.151 1.00 41.13 H new ATOM 0 HZ2 LYS A 85 -9.419 16.327 7.341 1.00 41.13 H new ATOM 0 HZ3 LYS A 85 -7.881 16.528 8.032 1.00 41.13 H new ATOM 1429 N ASP A 86 -2.799 14.210 2.797 1.00 42.25 N ATOM 1430 CA ASP A 86 -1.422 14.698 2.593 1.00 21.44 C ATOM 1431 C ASP A 86 -1.088 14.769 1.090 1.00 33.52 C ATOM 1432 O ASP A 86 -0.435 15.715 0.636 1.00 22.34 O ATOM 1433 CB ASP A 86 -0.412 13.776 3.337 1.00 42.41 C ATOM 1434 CG ASP A 86 1.012 14.363 3.431 1.00 30.44 C ATOM 1435 OD1 ASP A 86 1.774 14.272 2.456 1.00 41.31 O ATOM 1436 OD2 ASP A 86 1.375 14.926 4.485 1.00 74.44 O ATOM 0 H ASP A 86 -2.842 13.248 3.134 1.00 42.25 H new ATOM 0 HA ASP A 86 -1.344 15.704 3.005 1.00 21.44 H new ATOM 0 HB2 ASP A 86 -0.783 13.583 4.344 1.00 42.41 H new ATOM 0 HB3 ASP A 86 -0.366 12.815 2.825 1.00 42.41 H new ATOM 1441 N VAL A 87 -1.564 13.760 0.321 1.00 35.22 N ATOM 1442 CA VAL A 87 -1.284 13.650 -1.132 1.00 34.15 C ATOM 1443 C VAL A 87 -2.146 14.645 -1.956 1.00 64.41 C ATOM 1444 O VAL A 87 -1.940 14.806 -3.167 1.00 61.43 O ATOM 1445 CB VAL A 87 -1.453 12.159 -1.647 1.00 71.51 C ATOM 1446 CG1 VAL A 87 -2.932 11.765 -1.865 1.00 43.14 C ATOM 1447 CG2 VAL A 87 -0.589 11.890 -2.906 1.00 23.35 C ATOM 0 H VAL A 87 -2.147 13.006 0.685 1.00 35.22 H new ATOM 0 HA VAL A 87 -0.241 13.926 -1.284 1.00 34.15 H new ATOM 0 HB VAL A 87 -1.082 11.512 -0.852 1.00 71.51 H new ATOM 0 HG11 VAL A 87 -2.986 10.735 -2.217 1.00 43.14 H new ATOM 0 HG12 VAL A 87 -3.475 11.856 -0.924 1.00 43.14 H new ATOM 0 HG13 VAL A 87 -3.379 12.426 -2.607 1.00 43.14 H new ATOM 0 HG21 VAL A 87 -0.730 10.859 -3.231 1.00 23.35 H new ATOM 0 HG22 VAL A 87 -0.891 12.567 -3.706 1.00 23.35 H new ATOM 0 HG23 VAL A 87 0.462 12.055 -2.668 1.00 23.35 H new