USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1071 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 109 THR OG1 : rot 150:sc= -0.0976 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.213 K(o=0.11,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot -170:sc= 0.00402 USER MOD Single : A 9 SER OG : rot 93:sc= 0.485 USER MOD Single : A 24 LYS NZ :NH3+ -114:sc= 0.295 (180deg=0.187) USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.601 K(o=-0.6,f=-0.025) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0.739 (180deg=0.695) USER MOD Single : A 31 THR OG1 : rot 90:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0.698 (180deg=0.396) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= 0.704 (180deg=0.0697) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 128:sc= 0.473 (180deg=0.093) USER MOD Single : A 50 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00817 USER MOD Single : A 72 TYR OH : rot 135:sc= 0.0399 USER MOD Single : A 74 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.9) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 0.631 (180deg=0.199) USER MOD Single : A 84 MET CE :methyl -143:sc= -1.16 (180deg=-2.4!) USER MOD Single : A 87 GLN : amide:sc= 0.476 K(o=0.48,f=-0.17) USER MOD Single : A 89 GLN : amide:sc= -1.38 K(o=-1.4,f=-7.5!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.909 K(o=-0.91,f=-1.5) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= 1.16 (180deg=1.01) USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= 0.619 (180deg=0.258) USER MOD Single : A 120 LYS NZ :NH3+ 172:sc= 0.307 (180deg=0.262) USER MOD Single : A 125 LYS NZ :NH3+ -169:sc= -0.257 (180deg=-0.402) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 2.309 13.018 -1.906 1.00 22.44 N ATOM 21 CA GLY A 2 3.402 12.070 -1.611 1.00 24.34 C ATOM 22 C GLY A 2 2.903 10.848 -0.832 1.00 2.45 C ATOM 23 O GLY A 2 3.700 10.062 -0.318 1.00 2.41 O ATOM 0 HA2 GLY A 2 3.861 11.743 -2.544 1.00 24.34 H new ATOM 0 HA3 GLY A 2 4.176 12.576 -1.035 1.00 24.34 H new ATOM 27 N THR A 3 1.562 10.725 -0.766 1.00 31.43 N ATOM 28 CA THR A 3 0.823 9.710 0.000 1.00 71.20 C ATOM 29 C THR A 3 1.192 8.270 -0.416 1.00 20.51 C ATOM 30 O THR A 3 1.119 7.931 -1.592 1.00 45.34 O ATOM 31 CB THR A 3 -0.705 9.959 -0.216 1.00 40.24 C ATOM 32 OG1 THR A 3 -1.014 11.338 0.059 1.00 42.33 O ATOM 33 CG2 THR A 3 -1.574 9.070 0.670 1.00 63.31 C ATOM 0 H THR A 3 0.941 11.359 -1.268 1.00 31.43 H new ATOM 0 HA THR A 3 1.091 9.805 1.052 1.00 71.20 H new ATOM 0 HB THR A 3 -0.926 9.712 -1.254 1.00 40.24 H new ATOM 0 HG1 THR A 3 -1.986 11.458 0.078 1.00 42.33 H new ATOM 0 HG21 THR A 3 -2.626 9.284 0.480 1.00 63.31 H new ATOM 0 HG22 THR A 3 -1.370 8.023 0.446 1.00 63.31 H new ATOM 0 HG23 THR A 3 -1.347 9.268 1.718 1.00 63.31 H new ATOM 41 N VAL A 4 1.541 7.416 0.567 1.00 63.42 N ATOM 42 CA VAL A 4 2.065 6.060 0.311 1.00 13.54 C ATOM 43 C VAL A 4 1.009 4.999 0.684 1.00 62.34 C ATOM 44 O VAL A 4 0.584 4.914 1.837 1.00 23.10 O ATOM 45 CB VAL A 4 3.400 5.799 1.105 1.00 2.13 C ATOM 46 CG1 VAL A 4 4.004 4.420 0.753 1.00 42.14 C ATOM 47 CG2 VAL A 4 4.424 6.929 0.851 1.00 2.45 C ATOM 0 H VAL A 4 1.468 7.646 1.558 1.00 63.42 H new ATOM 0 HA VAL A 4 2.287 5.985 -0.753 1.00 13.54 H new ATOM 0 HB VAL A 4 3.156 5.793 2.167 1.00 2.13 H new ATOM 0 HG11 VAL A 4 4.924 4.271 1.318 1.00 42.14 H new ATOM 0 HG12 VAL A 4 3.291 3.635 1.007 1.00 42.14 H new ATOM 0 HG13 VAL A 4 4.223 4.380 -0.314 1.00 42.14 H new ATOM 0 HG21 VAL A 4 5.337 6.725 1.410 1.00 2.45 H new ATOM 0 HG22 VAL A 4 4.654 6.979 -0.213 1.00 2.45 H new ATOM 0 HG23 VAL A 4 4.004 7.881 1.176 1.00 2.45 H new ATOM 57 N VAL A 5 0.571 4.225 -0.317 1.00 44.51 N ATOM 58 CA VAL A 5 -0.352 3.096 -0.137 1.00 34.53 C ATOM 59 C VAL A 5 0.452 1.784 -0.173 1.00 42.04 C ATOM 60 O VAL A 5 1.178 1.542 -1.131 1.00 61.53 O ATOM 61 CB VAL A 5 -1.469 3.089 -1.254 1.00 45.14 C ATOM 62 CG1 VAL A 5 -2.438 1.888 -1.095 1.00 74.43 C ATOM 63 CG2 VAL A 5 -2.241 4.433 -1.272 1.00 24.15 C ATOM 0 H VAL A 5 0.851 4.367 -1.288 1.00 44.51 H new ATOM 0 HA VAL A 5 -0.853 3.196 0.826 1.00 34.53 H new ATOM 0 HB VAL A 5 -0.968 2.972 -2.215 1.00 45.14 H new ATOM 0 HG11 VAL A 5 -3.190 1.921 -1.883 1.00 74.43 H new ATOM 0 HG12 VAL A 5 -1.877 0.956 -1.167 1.00 74.43 H new ATOM 0 HG13 VAL A 5 -2.928 1.942 -0.123 1.00 74.43 H new ATOM 0 HG21 VAL A 5 -3.005 4.404 -2.049 1.00 24.15 H new ATOM 0 HG22 VAL A 5 -2.715 4.593 -0.304 1.00 24.15 H new ATOM 0 HG23 VAL A 5 -1.547 5.248 -1.476 1.00 24.15 H new ATOM 73 N ILE A 6 0.356 0.957 0.884 1.00 21.54 N ATOM 74 CA ILE A 6 1.087 -0.323 0.985 1.00 10.11 C ATOM 75 C ILE A 6 0.127 -1.493 0.740 1.00 33.35 C ATOM 76 O ILE A 6 -0.871 -1.634 1.450 1.00 63.44 O ATOM 77 CB ILE A 6 1.783 -0.474 2.395 1.00 72.51 C ATOM 78 CG1 ILE A 6 2.770 0.708 2.648 1.00 63.22 C ATOM 79 CG2 ILE A 6 2.505 -1.840 2.547 1.00 1.44 C ATOM 80 CD1 ILE A 6 3.846 0.861 1.586 1.00 1.42 C ATOM 0 H ILE A 6 -0.231 1.156 1.694 1.00 21.54 H new ATOM 0 HA ILE A 6 1.867 -0.332 0.223 1.00 10.11 H new ATOM 0 HB ILE A 6 0.998 -0.442 3.151 1.00 72.51 H new ATOM 0 HG12 ILE A 6 2.200 1.635 2.708 1.00 63.22 H new ATOM 0 HG13 ILE A 6 3.249 0.565 3.617 1.00 63.22 H new ATOM 0 HG21 ILE A 6 2.969 -1.899 3.532 1.00 1.44 H new ATOM 0 HG22 ILE A 6 1.782 -2.648 2.438 1.00 1.44 H new ATOM 0 HG23 ILE A 6 3.272 -1.934 1.778 1.00 1.44 H new ATOM 0 HD11 ILE A 6 4.489 1.705 1.838 1.00 1.42 H new ATOM 0 HD12 ILE A 6 4.444 -0.049 1.540 1.00 1.42 H new ATOM 0 HD13 ILE A 6 3.379 1.038 0.617 1.00 1.42 H new ATOM 92 N VAL A 7 0.422 -2.317 -0.281 1.00 3.34 N ATOM 93 CA VAL A 7 -0.362 -3.516 -0.620 1.00 3.20 C ATOM 94 C VAL A 7 0.518 -4.764 -0.438 1.00 4.32 C ATOM 95 O VAL A 7 1.571 -4.885 -1.072 1.00 5.42 O ATOM 96 CB VAL A 7 -0.920 -3.450 -2.087 1.00 54.22 C ATOM 97 CG1 VAL A 7 -1.772 -4.695 -2.421 1.00 74.43 C ATOM 98 CG2 VAL A 7 -1.721 -2.144 -2.318 1.00 31.12 C ATOM 0 H VAL A 7 1.219 -2.167 -0.899 1.00 3.34 H new ATOM 0 HA VAL A 7 -1.220 -3.567 0.050 1.00 3.20 H new ATOM 0 HB VAL A 7 -0.068 -3.444 -2.766 1.00 54.22 H new ATOM 0 HG11 VAL A 7 -2.143 -4.618 -3.443 1.00 74.43 H new ATOM 0 HG12 VAL A 7 -1.160 -5.592 -2.323 1.00 74.43 H new ATOM 0 HG13 VAL A 7 -2.615 -4.754 -1.732 1.00 74.43 H new ATOM 0 HG21 VAL A 7 -2.096 -2.123 -3.341 1.00 31.12 H new ATOM 0 HG22 VAL A 7 -2.560 -2.104 -1.623 1.00 31.12 H new ATOM 0 HG23 VAL A 7 -1.071 -1.285 -2.152 1.00 31.12 H new ATOM 108 N VAL A 8 0.085 -5.674 0.460 1.00 43.43 N ATOM 109 CA VAL A 8 0.797 -6.932 0.768 1.00 71.21 C ATOM 110 C VAL A 8 -0.125 -8.135 0.482 1.00 44.11 C ATOM 111 O VAL A 8 -1.176 -8.269 1.115 1.00 44.33 O ATOM 112 CB VAL A 8 1.260 -6.976 2.281 1.00 74.14 C ATOM 113 CG1 VAL A 8 1.959 -8.318 2.629 1.00 42.13 C ATOM 114 CG2 VAL A 8 2.159 -5.762 2.627 1.00 31.44 C ATOM 0 H VAL A 8 -0.775 -5.555 0.996 1.00 43.43 H new ATOM 0 HA VAL A 8 1.683 -6.981 0.135 1.00 71.21 H new ATOM 0 HB VAL A 8 0.364 -6.911 2.898 1.00 74.14 H new ATOM 0 HG11 VAL A 8 2.262 -8.310 3.676 1.00 42.13 H new ATOM 0 HG12 VAL A 8 1.268 -9.143 2.458 1.00 42.13 H new ATOM 0 HG13 VAL A 8 2.838 -8.445 1.998 1.00 42.13 H new ATOM 0 HG21 VAL A 8 2.461 -5.819 3.673 1.00 31.44 H new ATOM 0 HG22 VAL A 8 3.045 -5.773 1.992 1.00 31.44 H new ATOM 0 HG23 VAL A 8 1.604 -4.839 2.460 1.00 31.44 H new ATOM 124 N SER A 9 0.261 -8.988 -0.486 1.00 52.23 N ATOM 125 CA SER A 9 -0.420 -10.268 -0.749 1.00 43.12 C ATOM 126 C SER A 9 0.595 -11.337 -1.185 1.00 54.54 C ATOM 127 O SER A 9 1.536 -11.032 -1.931 1.00 1.31 O ATOM 128 CB SER A 9 -1.533 -10.098 -1.813 1.00 60.42 C ATOM 129 OG SER A 9 -1.022 -9.637 -3.043 1.00 74.11 O ATOM 0 H SER A 9 1.051 -8.809 -1.105 1.00 52.23 H new ATOM 0 HA SER A 9 -0.892 -10.599 0.176 1.00 43.12 H new ATOM 0 HB2 SER A 9 -2.038 -11.052 -1.965 1.00 60.42 H new ATOM 0 HB3 SER A 9 -2.282 -9.396 -1.446 1.00 60.42 H new ATOM 0 HG SER A 9 -0.824 -10.402 -3.622 1.00 74.11 H new ATOM 135 N ARG A 10 0.384 -12.588 -0.713 1.00 44.42 N ATOM 136 CA ARG A 10 1.212 -13.768 -1.081 1.00 11.21 C ATOM 137 C ARG A 10 1.218 -14.009 -2.601 1.00 31.21 C ATOM 138 O ARG A 10 2.212 -14.482 -3.171 1.00 12.34 O ATOM 139 CB ARG A 10 0.683 -15.045 -0.361 1.00 2.01 C ATOM 140 CG ARG A 10 0.886 -15.060 1.169 1.00 2.22 C ATOM 141 CD ARG A 10 0.253 -16.288 1.847 1.00 51.44 C ATOM 142 NE ARG A 10 0.718 -17.572 1.295 1.00 62.43 N ATOM 143 CZ ARG A 10 -0.045 -18.676 1.170 1.00 0.32 C ATOM 144 NH1 ARG A 10 -1.323 -18.672 1.553 1.00 1.54 N ATOM 145 NH2 ARG A 10 0.490 -19.785 0.686 1.00 54.41 N ATOM 0 H ARG A 10 -0.369 -12.812 -0.062 1.00 44.42 H new ATOM 0 HA ARG A 10 2.233 -13.559 -0.762 1.00 11.21 H new ATOM 0 HB2 ARG A 10 -0.381 -15.149 -0.573 1.00 2.01 H new ATOM 0 HB3 ARG A 10 1.180 -15.917 -0.787 1.00 2.01 H new ATOM 0 HG2 ARG A 10 1.953 -15.040 1.389 1.00 2.22 H new ATOM 0 HG3 ARG A 10 0.456 -14.154 1.596 1.00 2.22 H new ATOM 0 HD2 ARG A 10 0.476 -16.259 2.914 1.00 51.44 H new ATOM 0 HD3 ARG A 10 -0.831 -16.230 1.746 1.00 51.44 H new ATOM 0 HE ARG A 10 1.688 -17.630 0.985 1.00 62.43 H new ATOM 0 HH11 ARG A 10 -1.735 -17.826 1.946 1.00 1.54 H new ATOM 0 HH12 ARG A 10 -1.888 -19.515 1.452 1.00 1.54 H new ATOM 0 HH21 ARG A 10 1.472 -19.800 0.411 1.00 54.41 H new ATOM 0 HH22 ARG A 10 -0.080 -20.625 0.588 1.00 54.41 H new ATOM 159 N ASP A 11 0.078 -13.706 -3.234 1.00 33.14 N ATOM 160 CA ASP A 11 -0.152 -13.938 -4.667 1.00 60.35 C ATOM 161 C ASP A 11 0.185 -12.675 -5.472 1.00 34.34 C ATOM 162 O ASP A 11 -0.276 -11.577 -5.134 1.00 45.25 O ATOM 163 CB ASP A 11 -1.621 -14.352 -4.900 1.00 63.14 C ATOM 164 CG ASP A 11 -2.021 -15.592 -4.084 1.00 45.51 C ATOM 165 OD1 ASP A 11 -2.468 -15.435 -2.926 1.00 24.33 O ATOM 166 OD2 ASP A 11 -1.857 -16.728 -4.585 1.00 12.51 O ATOM 0 H ASP A 11 -0.722 -13.287 -2.760 1.00 33.14 H new ATOM 0 HA ASP A 11 0.499 -14.744 -5.006 1.00 60.35 H new ATOM 0 HB2 ASP A 11 -2.275 -13.521 -4.636 1.00 63.14 H new ATOM 0 HB3 ASP A 11 -1.774 -14.554 -5.960 1.00 63.14 H new ATOM 171 N GLU A 12 0.980 -12.857 -6.541 1.00 20.24 N ATOM 172 CA GLU A 12 1.429 -11.761 -7.421 1.00 3.24 C ATOM 173 C GLU A 12 0.289 -11.222 -8.290 1.00 43.11 C ATOM 174 O GLU A 12 0.308 -10.047 -8.685 1.00 22.31 O ATOM 175 CB GLU A 12 2.589 -12.236 -8.325 1.00 4.24 C ATOM 176 CG GLU A 12 3.819 -12.738 -7.554 1.00 73.54 C ATOM 177 CD GLU A 12 5.017 -13.057 -8.462 1.00 5.00 C ATOM 178 OE1 GLU A 12 5.502 -12.133 -9.153 1.00 32.43 O ATOM 179 OE2 GLU A 12 5.489 -14.212 -8.487 1.00 65.31 O ATOM 0 H GLU A 12 1.331 -13.773 -6.821 1.00 20.24 H new ATOM 0 HA GLU A 12 1.774 -10.952 -6.777 1.00 3.24 H new ATOM 0 HB2 GLU A 12 2.228 -13.036 -8.972 1.00 4.24 H new ATOM 0 HB3 GLU A 12 2.891 -11.413 -8.973 1.00 4.24 H new ATOM 0 HG2 GLU A 12 4.115 -11.984 -6.825 1.00 73.54 H new ATOM 0 HG3 GLU A 12 3.548 -13.633 -6.994 1.00 73.54 H new ATOM 186 N ARG A 13 -0.692 -12.097 -8.604 1.00 33.40 N ATOM 187 CA ARG A 13 -1.842 -11.713 -9.429 1.00 22.13 C ATOM 188 C ARG A 13 -2.723 -10.693 -8.710 1.00 65.01 C ATOM 189 O ARG A 13 -3.177 -9.755 -9.342 1.00 12.12 O ATOM 190 CB ARG A 13 -2.679 -12.922 -9.892 1.00 32.42 C ATOM 191 CG ARG A 13 -2.004 -13.801 -10.970 1.00 52.42 C ATOM 192 CD ARG A 13 -2.985 -14.801 -11.600 1.00 24.52 C ATOM 193 NE ARG A 13 -4.111 -14.113 -12.272 1.00 23.23 N ATOM 194 CZ ARG A 13 -5.408 -14.176 -11.901 1.00 20.51 C ATOM 195 NH1 ARG A 13 -5.795 -14.902 -10.857 1.00 34.42 N ATOM 196 NH2 ARG A 13 -6.308 -13.485 -12.577 1.00 64.52 N ATOM 0 H ARG A 13 -0.704 -13.069 -8.296 1.00 33.40 H new ATOM 0 HA ARG A 13 -1.431 -11.250 -10.326 1.00 22.13 H new ATOM 0 HB2 ARG A 13 -2.905 -13.543 -9.025 1.00 32.42 H new ATOM 0 HB3 ARG A 13 -3.631 -12.560 -10.281 1.00 32.42 H new ATOM 0 HG2 ARG A 13 -1.588 -13.162 -11.749 1.00 52.42 H new ATOM 0 HG3 ARG A 13 -1.170 -14.344 -10.524 1.00 52.42 H new ATOM 0 HD2 ARG A 13 -2.456 -15.424 -12.321 1.00 24.52 H new ATOM 0 HD3 ARG A 13 -3.373 -15.466 -10.828 1.00 24.52 H new ATOM 0 HE ARG A 13 -3.887 -13.541 -13.087 1.00 23.23 H new ATOM 0 HH11 ARG A 13 -5.107 -15.427 -10.317 1.00 34.42 H new ATOM 0 HH12 ARG A 13 -6.780 -14.934 -10.595 1.00 34.42 H new ATOM 0 HH21 ARG A 13 -6.020 -12.912 -13.370 1.00 64.52 H new ATOM 0 HH22 ARG A 13 -7.291 -13.525 -12.306 1.00 64.52 H new ATOM 210 N ILE A 14 -2.929 -10.865 -7.384 1.00 55.45 N ATOM 211 CA ILE A 14 -3.716 -9.910 -6.573 1.00 30.42 C ATOM 212 C ILE A 14 -3.108 -8.496 -6.708 1.00 14.34 C ATOM 213 O ILE A 14 -3.821 -7.524 -6.943 1.00 22.31 O ATOM 214 CB ILE A 14 -3.780 -10.328 -5.050 1.00 61.15 C ATOM 215 CG1 ILE A 14 -4.415 -11.748 -4.890 1.00 31.14 C ATOM 216 CG2 ILE A 14 -4.549 -9.273 -4.209 1.00 33.51 C ATOM 217 CD1 ILE A 14 -4.443 -12.285 -3.459 1.00 3.23 C ATOM 0 H ILE A 14 -2.561 -11.655 -6.854 1.00 55.45 H new ATOM 0 HA ILE A 14 -4.738 -9.916 -6.952 1.00 30.42 H new ATOM 0 HB ILE A 14 -2.759 -10.370 -4.671 1.00 61.15 H new ATOM 0 HG12 ILE A 14 -5.436 -11.718 -5.271 1.00 31.14 H new ATOM 0 HG13 ILE A 14 -3.862 -12.449 -5.515 1.00 31.14 H new ATOM 0 HG21 ILE A 14 -4.576 -9.589 -3.166 1.00 33.51 H new ATOM 0 HG22 ILE A 14 -4.044 -8.310 -4.284 1.00 33.51 H new ATOM 0 HG23 ILE A 14 -5.567 -9.179 -4.586 1.00 33.51 H new ATOM 0 HD11 ILE A 14 -4.901 -13.274 -3.450 1.00 3.23 H new ATOM 0 HD12 ILE A 14 -3.425 -12.353 -3.076 1.00 3.23 H new ATOM 0 HD13 ILE A 14 -5.023 -11.611 -2.829 1.00 3.23 H new ATOM 229 N LEU A 15 -1.765 -8.434 -6.633 1.00 75.22 N ATOM 230 CA LEU A 15 -0.990 -7.185 -6.764 1.00 13.43 C ATOM 231 C LEU A 15 -1.224 -6.493 -8.134 1.00 15.20 C ATOM 232 O LEU A 15 -1.481 -5.289 -8.187 1.00 3.05 O ATOM 233 CB LEU A 15 0.519 -7.484 -6.591 1.00 14.44 C ATOM 234 CG LEU A 15 0.954 -8.129 -5.244 1.00 14.55 C ATOM 235 CD1 LEU A 15 2.436 -8.533 -5.301 1.00 11.23 C ATOM 236 CD2 LEU A 15 0.671 -7.194 -4.047 1.00 4.31 C ATOM 0 H LEU A 15 -1.182 -9.257 -6.478 1.00 75.22 H new ATOM 0 HA LEU A 15 -1.332 -6.505 -5.984 1.00 13.43 H new ATOM 0 HB2 LEU A 15 0.830 -8.144 -7.400 1.00 14.44 H new ATOM 0 HB3 LEU A 15 1.067 -6.550 -6.714 1.00 14.44 H new ATOM 0 HG LEU A 15 0.358 -9.029 -5.092 1.00 14.55 H new ATOM 0 HD11 LEU A 15 2.727 -8.983 -4.352 1.00 11.23 H new ATOM 0 HD12 LEU A 15 2.586 -9.253 -6.105 1.00 11.23 H new ATOM 0 HD13 LEU A 15 3.047 -7.650 -5.486 1.00 11.23 H new ATOM 0 HD21 LEU A 15 0.988 -7.679 -3.124 1.00 4.31 H new ATOM 0 HD22 LEU A 15 1.222 -6.262 -4.175 1.00 4.31 H new ATOM 0 HD23 LEU A 15 -0.397 -6.981 -3.997 1.00 4.31 H new ATOM 248 N GLU A 16 -1.141 -7.274 -9.238 1.00 0.52 N ATOM 249 CA GLU A 16 -1.238 -6.731 -10.619 1.00 12.04 C ATOM 250 C GLU A 16 -2.700 -6.453 -11.031 1.00 50.51 C ATOM 251 O GLU A 16 -2.952 -5.673 -11.958 1.00 51.13 O ATOM 252 CB GLU A 16 -0.517 -7.656 -11.633 1.00 35.11 C ATOM 253 CG GLU A 16 -1.126 -9.056 -11.796 1.00 12.34 C ATOM 254 CD GLU A 16 -0.205 -10.044 -12.538 1.00 62.22 C ATOM 255 OE1 GLU A 16 -0.340 -10.206 -13.766 1.00 3.10 O ATOM 256 OE2 GLU A 16 0.682 -10.649 -11.889 1.00 52.10 O ATOM 0 H GLU A 16 -1.007 -8.284 -9.201 1.00 0.52 H new ATOM 0 HA GLU A 16 -0.725 -5.769 -10.629 1.00 12.04 H new ATOM 0 HB2 GLU A 16 -0.511 -7.165 -12.606 1.00 35.11 H new ATOM 0 HB3 GLU A 16 0.523 -7.764 -11.325 1.00 35.11 H new ATOM 0 HG2 GLU A 16 -1.359 -9.459 -10.811 1.00 12.34 H new ATOM 0 HG3 GLU A 16 -2.068 -8.973 -12.338 1.00 12.34 H new ATOM 263 N GLU A 17 -3.655 -7.093 -10.335 1.00 34.11 N ATOM 264 CA GLU A 17 -5.086 -6.764 -10.461 1.00 44.20 C ATOM 265 C GLU A 17 -5.328 -5.370 -9.859 1.00 4.32 C ATOM 266 O GLU A 17 -5.951 -4.506 -10.488 1.00 44.40 O ATOM 267 CB GLU A 17 -5.961 -7.826 -9.739 1.00 75.31 C ATOM 268 CG GLU A 17 -5.983 -9.220 -10.399 1.00 12.42 C ATOM 269 CD GLU A 17 -6.622 -9.230 -11.795 1.00 44.24 C ATOM 270 OE1 GLU A 17 -5.896 -9.279 -12.803 1.00 21.34 O ATOM 271 OE2 GLU A 17 -7.860 -9.172 -11.896 1.00 1.14 O ATOM 0 H GLU A 17 -3.460 -7.846 -9.675 1.00 34.11 H new ATOM 0 HA GLU A 17 -5.366 -6.764 -11.514 1.00 44.20 H new ATOM 0 HB2 GLU A 17 -5.603 -7.932 -8.715 1.00 75.31 H new ATOM 0 HB3 GLU A 17 -6.984 -7.453 -9.682 1.00 75.31 H new ATOM 0 HG2 GLU A 17 -4.962 -9.593 -10.474 1.00 12.42 H new ATOM 0 HG3 GLU A 17 -6.528 -9.909 -9.754 1.00 12.42 H new ATOM 278 N LEU A 18 -4.770 -5.165 -8.646 1.00 32.21 N ATOM 279 CA LEU A 18 -4.862 -3.893 -7.902 1.00 72.51 C ATOM 280 C LEU A 18 -3.998 -2.797 -8.552 1.00 54.12 C ATOM 281 O LEU A 18 -4.226 -1.609 -8.321 1.00 43.15 O ATOM 282 CB LEU A 18 -4.471 -4.113 -6.413 1.00 34.14 C ATOM 283 CG LEU A 18 -5.344 -5.146 -5.633 1.00 63.14 C ATOM 284 CD1 LEU A 18 -4.952 -5.226 -4.145 1.00 32.23 C ATOM 285 CD2 LEU A 18 -6.839 -4.860 -5.807 1.00 72.44 C ATOM 0 H LEU A 18 -4.240 -5.884 -8.153 1.00 32.21 H new ATOM 0 HA LEU A 18 -5.896 -3.549 -7.939 1.00 72.51 H new ATOM 0 HB2 LEU A 18 -3.432 -4.439 -6.373 1.00 34.14 H new ATOM 0 HB3 LEU A 18 -4.525 -3.155 -5.896 1.00 34.14 H new ATOM 0 HG LEU A 18 -5.144 -6.126 -6.067 1.00 63.14 H new ATOM 0 HD11 LEU A 18 -5.585 -5.957 -3.641 1.00 32.23 H new ATOM 0 HD12 LEU A 18 -3.909 -5.529 -4.059 1.00 32.23 H new ATOM 0 HD13 LEU A 18 -5.085 -4.249 -3.681 1.00 32.23 H new ATOM 0 HD21 LEU A 18 -7.418 -5.598 -5.251 1.00 72.44 H new ATOM 0 HD22 LEU A 18 -7.065 -3.863 -5.430 1.00 72.44 H new ATOM 0 HD23 LEU A 18 -7.100 -4.916 -6.864 1.00 72.44 H new ATOM 297 N LEU A 19 -3.002 -3.223 -9.359 1.00 72.23 N ATOM 298 CA LEU A 19 -2.171 -2.320 -10.170 1.00 75.24 C ATOM 299 C LEU A 19 -3.054 -1.580 -11.181 1.00 63.42 C ATOM 300 O LEU A 19 -3.056 -0.345 -11.220 1.00 21.53 O ATOM 301 CB LEU A 19 -1.049 -3.107 -10.902 1.00 42.32 C ATOM 302 CG LEU A 19 -0.121 -2.278 -11.845 1.00 53.43 C ATOM 303 CD1 LEU A 19 0.644 -1.202 -11.068 1.00 25.12 C ATOM 304 CD2 LEU A 19 0.848 -3.184 -12.628 1.00 11.01 C ATOM 0 H LEU A 19 -2.755 -4.207 -9.463 1.00 72.23 H new ATOM 0 HA LEU A 19 -1.694 -1.594 -9.511 1.00 75.24 H new ATOM 0 HB2 LEU A 19 -0.426 -3.593 -10.151 1.00 42.32 H new ATOM 0 HB3 LEU A 19 -1.514 -3.898 -11.490 1.00 42.32 H new ATOM 0 HG LEU A 19 -0.763 -1.777 -12.570 1.00 53.43 H new ATOM 0 HD11 LEU A 19 1.281 -0.642 -11.753 1.00 25.12 H new ATOM 0 HD12 LEU A 19 -0.064 -0.522 -10.594 1.00 25.12 H new ATOM 0 HD13 LEU A 19 1.260 -1.675 -10.303 1.00 25.12 H new ATOM 0 HD21 LEU A 19 1.478 -2.571 -13.273 1.00 11.01 H new ATOM 0 HD22 LEU A 19 1.475 -3.737 -11.928 1.00 11.01 H new ATOM 0 HD23 LEU A 19 0.278 -3.886 -13.237 1.00 11.01 H new ATOM 316 N GLU A 20 -3.827 -2.362 -11.972 1.00 53.55 N ATOM 317 CA GLU A 20 -4.772 -1.810 -12.962 1.00 54.21 C ATOM 318 C GLU A 20 -5.842 -0.940 -12.284 1.00 1.44 C ATOM 319 O GLU A 20 -6.227 0.091 -12.831 1.00 1.42 O ATOM 320 CB GLU A 20 -5.438 -2.923 -13.813 1.00 54.41 C ATOM 321 CG GLU A 20 -4.491 -3.605 -14.816 1.00 55.44 C ATOM 322 CD GLU A 20 -5.234 -4.444 -15.872 1.00 20.02 C ATOM 323 OE1 GLU A 20 -5.969 -3.855 -16.696 1.00 64.25 O ATOM 324 OE2 GLU A 20 -5.079 -5.681 -15.900 1.00 61.42 O ATOM 0 H GLU A 20 -3.811 -3.381 -11.940 1.00 53.55 H new ATOM 0 HA GLU A 20 -4.191 -1.181 -13.637 1.00 54.21 H new ATOM 0 HB2 GLU A 20 -5.846 -3.680 -13.144 1.00 54.41 H new ATOM 0 HB3 GLU A 20 -6.278 -2.493 -14.359 1.00 54.41 H new ATOM 0 HG2 GLU A 20 -3.895 -2.844 -15.319 1.00 55.44 H new ATOM 0 HG3 GLU A 20 -3.797 -4.247 -14.273 1.00 55.44 H new ATOM 331 N VAL A 21 -6.275 -1.347 -11.075 1.00 23.44 N ATOM 332 CA VAL A 21 -7.278 -0.601 -10.281 1.00 31.40 C ATOM 333 C VAL A 21 -6.825 0.854 -10.045 1.00 72.15 C ATOM 334 O VAL A 21 -7.631 1.778 -10.181 1.00 11.32 O ATOM 335 CB VAL A 21 -7.581 -1.322 -8.912 1.00 75.43 C ATOM 336 CG1 VAL A 21 -8.463 -0.460 -7.974 1.00 42.52 C ATOM 337 CG2 VAL A 21 -8.237 -2.693 -9.169 1.00 44.21 C ATOM 0 H VAL A 21 -5.943 -2.198 -10.621 1.00 23.44 H new ATOM 0 HA VAL A 21 -8.203 -0.580 -10.857 1.00 31.40 H new ATOM 0 HB VAL A 21 -6.629 -1.469 -8.402 1.00 75.43 H new ATOM 0 HG11 VAL A 21 -8.643 -1.001 -7.045 1.00 42.52 H new ATOM 0 HG12 VAL A 21 -7.953 0.478 -7.755 1.00 42.52 H new ATOM 0 HG13 VAL A 21 -9.415 -0.250 -8.461 1.00 42.52 H new ATOM 0 HG21 VAL A 21 -8.442 -3.182 -8.217 1.00 44.21 H new ATOM 0 HG22 VAL A 21 -9.171 -2.553 -9.714 1.00 44.21 H new ATOM 0 HG23 VAL A 21 -7.563 -3.314 -9.758 1.00 44.21 H new ATOM 347 N VAL A 22 -5.525 1.043 -9.724 1.00 74.01 N ATOM 348 CA VAL A 22 -4.938 2.385 -9.560 1.00 4.43 C ATOM 349 C VAL A 22 -4.931 3.135 -10.904 1.00 70.54 C ATOM 350 O VAL A 22 -5.424 4.249 -10.998 1.00 71.55 O ATOM 351 CB VAL A 22 -3.464 2.351 -9.012 1.00 62.21 C ATOM 352 CG1 VAL A 22 -2.937 3.788 -8.785 1.00 61.53 C ATOM 353 CG2 VAL A 22 -3.345 1.512 -7.727 1.00 71.23 C ATOM 0 H VAL A 22 -4.865 0.280 -9.574 1.00 74.01 H new ATOM 0 HA VAL A 22 -5.563 2.897 -8.828 1.00 4.43 H new ATOM 0 HB VAL A 22 -2.845 1.868 -9.767 1.00 62.21 H new ATOM 0 HG11 VAL A 22 -1.916 3.745 -8.406 1.00 61.53 H new ATOM 0 HG12 VAL A 22 -2.951 4.334 -9.728 1.00 61.53 H new ATOM 0 HG13 VAL A 22 -3.572 4.298 -8.061 1.00 61.53 H new ATOM 0 HG21 VAL A 22 -2.310 1.516 -7.384 1.00 71.23 H new ATOM 0 HG22 VAL A 22 -3.985 1.937 -6.954 1.00 71.23 H new ATOM 0 HG23 VAL A 22 -3.655 0.487 -7.932 1.00 71.23 H new ATOM 363 N LEU A 23 -4.396 2.460 -11.938 1.00 41.54 N ATOM 364 CA LEU A 23 -4.110 3.068 -13.258 1.00 1.53 C ATOM 365 C LEU A 23 -5.397 3.532 -13.983 1.00 63.54 C ATOM 366 O LEU A 23 -5.365 4.504 -14.753 1.00 74.04 O ATOM 367 CB LEU A 23 -3.310 2.060 -14.133 1.00 64.21 C ATOM 368 CG LEU A 23 -1.942 1.585 -13.536 1.00 71.24 C ATOM 369 CD1 LEU A 23 -1.312 0.465 -14.384 1.00 35.53 C ATOM 370 CD2 LEU A 23 -0.957 2.758 -13.346 1.00 34.21 C ATOM 0 H LEU A 23 -4.147 1.472 -11.885 1.00 41.54 H new ATOM 0 HA LEU A 23 -3.509 3.962 -13.094 1.00 1.53 H new ATOM 0 HB2 LEU A 23 -3.934 1.183 -14.308 1.00 64.21 H new ATOM 0 HB3 LEU A 23 -3.123 2.518 -15.104 1.00 64.21 H new ATOM 0 HG LEU A 23 -2.154 1.175 -12.549 1.00 71.24 H new ATOM 0 HD11 LEU A 23 -0.364 0.161 -13.939 1.00 35.53 H new ATOM 0 HD12 LEU A 23 -1.988 -0.390 -14.418 1.00 35.53 H new ATOM 0 HD13 LEU A 23 -1.137 0.830 -15.396 1.00 35.53 H new ATOM 0 HD21 LEU A 23 -0.022 2.384 -12.930 1.00 34.21 H new ATOM 0 HD22 LEU A 23 -0.763 3.230 -14.309 1.00 34.21 H new ATOM 0 HD23 LEU A 23 -1.390 3.490 -12.664 1.00 34.21 H new ATOM 382 N LYS A 24 -6.528 2.837 -13.720 1.00 52.24 N ATOM 383 CA LYS A 24 -7.845 3.173 -14.319 1.00 0.11 C ATOM 384 C LYS A 24 -8.568 4.228 -13.463 1.00 31.52 C ATOM 385 O LYS A 24 -9.336 5.042 -13.994 1.00 64.10 O ATOM 386 CB LYS A 24 -8.742 1.908 -14.473 1.00 22.12 C ATOM 387 CG LYS A 24 -8.077 0.732 -15.224 1.00 12.40 C ATOM 388 CD LYS A 24 -7.642 1.058 -16.672 1.00 23.12 C ATOM 389 CE LYS A 24 -6.769 -0.063 -17.282 1.00 13.35 C ATOM 390 NZ LYS A 24 -7.429 -1.400 -17.232 1.00 4.24 N ATOM 0 H LYS A 24 -6.556 2.034 -13.092 1.00 52.24 H new ATOM 0 HA LYS A 24 -7.662 3.580 -15.313 1.00 0.11 H new ATOM 0 HB2 LYS A 24 -9.038 1.567 -13.481 1.00 22.12 H new ATOM 0 HB3 LYS A 24 -9.654 2.188 -15.000 1.00 22.12 H new ATOM 0 HG2 LYS A 24 -7.203 0.406 -14.660 1.00 12.40 H new ATOM 0 HG3 LYS A 24 -8.772 -0.107 -15.247 1.00 12.40 H new ATOM 0 HD2 LYS A 24 -8.527 1.206 -17.291 1.00 23.12 H new ATOM 0 HD3 LYS A 24 -7.086 1.996 -16.681 1.00 23.12 H new ATOM 0 HE2 LYS A 24 -6.539 0.185 -18.318 1.00 13.35 H new ATOM 0 HE3 LYS A 24 -5.820 -0.111 -16.747 1.00 13.35 H new ATOM 0 HZ1 LYS A 24 -6.898 -2.026 -16.594 1.00 4.24 H new ATOM 0 HZ2 LYS A 24 -8.402 -1.294 -16.882 1.00 4.24 H new ATOM 0 HZ3 LYS A 24 -7.448 -1.814 -18.186 1.00 4.24 H new ATOM 404 N SER A 25 -8.316 4.204 -12.136 1.00 13.12 N ATOM 405 CA SER A 25 -8.912 5.168 -11.184 1.00 31.25 C ATOM 406 C SER A 25 -8.316 6.575 -11.399 1.00 21.21 C ATOM 407 O SER A 25 -9.047 7.576 -11.443 1.00 54.34 O ATOM 408 CB SER A 25 -8.677 4.690 -9.724 1.00 60.43 C ATOM 409 OG SER A 25 -9.309 5.526 -8.768 1.00 65.23 O ATOM 0 H SER A 25 -7.698 3.521 -11.697 1.00 13.12 H new ATOM 0 HA SER A 25 -9.986 5.222 -11.363 1.00 31.25 H new ATOM 0 HB2 SER A 25 -9.051 3.672 -9.614 1.00 60.43 H new ATOM 0 HB3 SER A 25 -7.606 4.660 -9.523 1.00 60.43 H new ATOM 0 HG SER A 25 -9.270 5.101 -7.886 1.00 65.23 H new ATOM 415 N ASP A 26 -6.979 6.616 -11.563 1.00 51.15 N ATOM 416 CA ASP A 26 -6.215 7.855 -11.771 1.00 0.12 C ATOM 417 C ASP A 26 -4.801 7.499 -12.303 1.00 62.11 C ATOM 418 O ASP A 26 -4.063 6.766 -11.634 1.00 3.43 O ATOM 419 CB ASP A 26 -6.114 8.652 -10.440 1.00 75.21 C ATOM 420 CG ASP A 26 -5.530 10.066 -10.617 1.00 24.52 C ATOM 421 OD1 ASP A 26 -4.302 10.230 -10.562 1.00 61.14 O ATOM 422 OD2 ASP A 26 -6.301 11.023 -10.822 1.00 32.54 O ATOM 0 H ASP A 26 -6.396 5.779 -11.554 1.00 51.15 H new ATOM 0 HA ASP A 26 -6.725 8.481 -12.503 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -7.106 8.730 -9.995 1.00 75.21 H new ATOM 0 HB3 ASP A 26 -5.493 8.096 -9.738 1.00 75.21 H new ATOM 427 N PRO A 27 -4.389 8.010 -13.511 1.00 23.11 N ATOM 428 CA PRO A 27 -3.074 7.686 -14.112 1.00 34.32 C ATOM 429 C PRO A 27 -1.926 8.561 -13.557 1.00 30.24 C ATOM 430 O PRO A 27 -0.748 8.278 -13.806 1.00 51.10 O ATOM 431 CB PRO A 27 -3.302 7.932 -15.637 1.00 70.52 C ATOM 432 CG PRO A 27 -4.643 8.630 -15.775 1.00 70.20 C ATOM 433 CD PRO A 27 -5.142 8.953 -14.375 1.00 45.13 C ATOM 0 HA PRO A 27 -2.759 6.668 -13.883 1.00 34.32 H new ATOM 0 HB2 PRO A 27 -2.503 8.545 -16.053 1.00 70.52 H new ATOM 0 HB3 PRO A 27 -3.299 6.990 -16.185 1.00 70.52 H new ATOM 0 HG2 PRO A 27 -4.541 9.541 -16.364 1.00 70.20 H new ATOM 0 HG3 PRO A 27 -5.355 7.991 -16.297 1.00 70.20 H new ATOM 0 HD2 PRO A 27 -4.941 9.990 -14.107 1.00 45.13 H new ATOM 0 HD3 PRO A 27 -6.218 8.804 -14.288 1.00 45.13 H new ATOM 441 N ASN A 28 -2.278 9.614 -12.792 1.00 25.01 N ATOM 442 CA ASN A 28 -1.301 10.592 -12.259 1.00 72.04 C ATOM 443 C ASN A 28 -0.666 10.064 -10.956 1.00 23.02 C ATOM 444 O ASN A 28 0.307 10.634 -10.451 1.00 31.22 O ATOM 445 CB ASN A 28 -1.983 11.967 -11.996 1.00 1.04 C ATOM 446 CG ASN A 28 -2.856 12.454 -13.160 1.00 32.41 C ATOM 447 OD1 ASN A 28 -2.377 13.105 -14.090 1.00 14.44 O ATOM 448 ND2 ASN A 28 -4.152 12.162 -13.098 1.00 22.03 N ATOM 0 H ASN A 28 -3.242 9.812 -12.526 1.00 25.01 H new ATOM 0 HA ASN A 28 -0.518 10.728 -13.005 1.00 72.04 H new ATOM 0 HB2 ASN A 28 -2.597 11.892 -11.099 1.00 1.04 H new ATOM 0 HB3 ASN A 28 -1.213 12.712 -11.794 1.00 1.04 H new ATOM 0 HD21 ASN A 28 -4.782 12.479 -13.835 1.00 22.03 H new ATOM 0 HD22 ASN A 28 -4.516 11.621 -12.314 1.00 22.03 H new ATOM 455 N VAL A 29 -1.249 8.988 -10.403 1.00 0.22 N ATOM 456 CA VAL A 29 -0.704 8.284 -9.232 1.00 75.44 C ATOM 457 C VAL A 29 0.430 7.334 -9.675 1.00 41.10 C ATOM 458 O VAL A 29 0.249 6.543 -10.603 1.00 75.13 O ATOM 459 CB VAL A 29 -1.824 7.464 -8.487 1.00 30.23 C ATOM 460 CG1 VAL A 29 -1.262 6.746 -7.234 1.00 54.14 C ATOM 461 CG2 VAL A 29 -3.018 8.373 -8.121 1.00 21.33 C ATOM 0 H VAL A 29 -2.115 8.581 -10.757 1.00 0.22 H new ATOM 0 HA VAL A 29 -0.310 9.029 -8.540 1.00 75.44 H new ATOM 0 HB VAL A 29 -2.183 6.694 -9.170 1.00 30.23 H new ATOM 0 HG11 VAL A 29 -2.061 6.190 -6.744 1.00 54.14 H new ATOM 0 HG12 VAL A 29 -0.471 6.058 -7.533 1.00 54.14 H new ATOM 0 HG13 VAL A 29 -0.857 7.485 -6.542 1.00 54.14 H new ATOM 0 HG21 VAL A 29 -3.779 7.785 -7.608 1.00 21.33 H new ATOM 0 HG22 VAL A 29 -2.677 9.176 -7.467 1.00 21.33 H new ATOM 0 HG23 VAL A 29 -3.442 8.800 -9.030 1.00 21.33 H new ATOM 471 N LYS A 30 1.605 7.450 -9.027 1.00 11.22 N ATOM 472 CA LYS A 30 2.742 6.538 -9.254 1.00 20.15 C ATOM 473 C LYS A 30 2.429 5.152 -8.653 1.00 73.24 C ATOM 474 O LYS A 30 1.810 5.056 -7.595 1.00 13.40 O ATOM 475 CB LYS A 30 4.040 7.127 -8.631 1.00 34.14 C ATOM 476 CG LYS A 30 5.292 6.217 -8.710 1.00 32.01 C ATOM 477 CD LYS A 30 5.684 5.850 -10.160 1.00 10.31 C ATOM 478 CE LYS A 30 6.877 4.880 -10.230 1.00 70.10 C ATOM 479 NZ LYS A 30 8.109 5.447 -9.623 1.00 34.44 N ATOM 0 H LYS A 30 1.792 8.175 -8.335 1.00 11.22 H new ATOM 0 HA LYS A 30 2.900 6.426 -10.327 1.00 20.15 H new ATOM 0 HB2 LYS A 30 4.266 8.070 -9.129 1.00 34.14 H new ATOM 0 HB3 LYS A 30 3.847 7.359 -7.584 1.00 34.14 H new ATOM 0 HG2 LYS A 30 6.131 6.721 -8.230 1.00 32.01 H new ATOM 0 HG3 LYS A 30 5.105 5.302 -8.148 1.00 32.01 H new ATOM 0 HD2 LYS A 30 4.826 5.400 -10.660 1.00 10.31 H new ATOM 0 HD3 LYS A 30 5.930 6.761 -10.706 1.00 10.31 H new ATOM 0 HE2 LYS A 30 6.618 3.953 -9.719 1.00 70.10 H new ATOM 0 HE3 LYS A 30 7.073 4.625 -11.272 1.00 70.10 H new ATOM 0 HZ1 LYS A 30 8.853 4.720 -9.604 1.00 34.44 H new ATOM 0 HZ2 LYS A 30 8.432 6.258 -10.187 1.00 34.44 H new ATOM 0 HZ3 LYS A 30 7.905 5.760 -8.652 1.00 34.44 H new ATOM 493 N THR A 31 2.836 4.092 -9.359 1.00 71.22 N ATOM 494 CA THR A 31 2.734 2.707 -8.886 1.00 61.54 C ATOM 495 C THR A 31 4.078 2.003 -9.063 1.00 51.01 C ATOM 496 O THR A 31 4.799 2.255 -10.033 1.00 72.12 O ATOM 497 CB THR A 31 1.636 1.916 -9.663 1.00 54.33 C ATOM 498 OG1 THR A 31 1.882 1.988 -11.078 1.00 43.15 O ATOM 499 CG2 THR A 31 0.230 2.433 -9.376 1.00 12.45 C ATOM 0 H THR A 31 3.251 4.173 -10.287 1.00 71.22 H new ATOM 0 HA THR A 31 2.457 2.734 -7.832 1.00 61.54 H new ATOM 0 HB THR A 31 1.690 0.883 -9.320 1.00 54.33 H new ATOM 0 HG1 THR A 31 2.455 1.240 -11.349 1.00 43.15 H new ATOM 0 HG21 THR A 31 -0.495 1.848 -9.942 1.00 12.45 H new ATOM 0 HG22 THR A 31 0.019 2.341 -8.311 1.00 12.45 H new ATOM 0 HG23 THR A 31 0.160 3.480 -9.670 1.00 12.45 H new ATOM 507 N VAL A 32 4.401 1.137 -8.097 1.00 10.31 N ATOM 508 CA VAL A 32 5.621 0.316 -8.065 1.00 35.15 C ATOM 509 C VAL A 32 5.242 -1.083 -7.560 1.00 11.31 C ATOM 510 O VAL A 32 4.538 -1.202 -6.559 1.00 21.53 O ATOM 511 CB VAL A 32 6.728 0.925 -7.109 1.00 10.31 C ATOM 512 CG1 VAL A 32 7.972 0.008 -7.016 1.00 70.21 C ATOM 513 CG2 VAL A 32 7.129 2.348 -7.541 1.00 14.24 C ATOM 0 H VAL A 32 3.801 0.981 -7.287 1.00 10.31 H new ATOM 0 HA VAL A 32 6.038 0.282 -9.071 1.00 35.15 H new ATOM 0 HB VAL A 32 6.287 0.989 -6.114 1.00 10.31 H new ATOM 0 HG11 VAL A 32 8.708 0.460 -6.351 1.00 70.21 H new ATOM 0 HG12 VAL A 32 7.678 -0.965 -6.623 1.00 70.21 H new ATOM 0 HG13 VAL A 32 8.407 -0.117 -8.008 1.00 70.21 H new ATOM 0 HG21 VAL A 32 7.890 2.733 -6.862 1.00 14.24 H new ATOM 0 HG22 VAL A 32 7.527 2.322 -8.555 1.00 14.24 H new ATOM 0 HG23 VAL A 32 6.254 2.997 -7.511 1.00 14.24 H new ATOM 523 N ARG A 33 5.705 -2.136 -8.253 1.00 11.22 N ATOM 524 CA ARG A 33 5.590 -3.515 -7.763 1.00 52.32 C ATOM 525 C ARG A 33 6.997 -4.133 -7.693 1.00 41.22 C ATOM 526 O ARG A 33 7.501 -4.693 -8.667 1.00 32.23 O ATOM 527 CB ARG A 33 4.617 -4.355 -8.644 1.00 23.23 C ATOM 528 CG ARG A 33 4.451 -5.827 -8.176 1.00 51.52 C ATOM 529 CD ARG A 33 3.280 -6.557 -8.853 1.00 72.22 C ATOM 530 NE ARG A 33 3.422 -6.637 -10.315 1.00 63.13 N ATOM 531 CZ ARG A 33 3.069 -7.694 -11.070 1.00 52.33 C ATOM 532 NH1 ARG A 33 2.556 -8.800 -10.515 1.00 22.22 N ATOM 533 NH2 ARG A 33 3.195 -7.621 -12.390 1.00 54.12 N ATOM 0 H ARG A 33 6.165 -2.055 -9.160 1.00 11.22 H new ATOM 0 HA ARG A 33 5.158 -3.513 -6.762 1.00 52.32 H new ATOM 0 HB2 ARG A 33 3.639 -3.873 -8.648 1.00 23.23 H new ATOM 0 HB3 ARG A 33 4.979 -4.350 -9.672 1.00 23.23 H new ATOM 0 HG2 ARG A 33 5.374 -6.371 -8.379 1.00 51.52 H new ATOM 0 HG3 ARG A 33 4.303 -5.842 -7.096 1.00 51.52 H new ATOM 0 HD2 ARG A 33 3.203 -7.565 -8.445 1.00 72.22 H new ATOM 0 HD3 ARG A 33 2.350 -6.043 -8.611 1.00 72.22 H new ATOM 0 HE ARG A 33 3.819 -5.829 -10.794 1.00 63.13 H new ATOM 0 HH11 ARG A 33 2.427 -8.851 -9.504 1.00 22.22 H new ATOM 0 HH12 ARG A 33 2.294 -9.591 -11.103 1.00 22.22 H new ATOM 0 HH21 ARG A 33 3.556 -6.770 -12.822 1.00 54.12 H new ATOM 0 HH22 ARG A 33 2.931 -8.416 -12.972 1.00 54.12 H new ATOM 547 N THR A 34 7.653 -3.920 -6.550 1.00 72.40 N ATOM 548 CA THR A 34 8.912 -4.594 -6.173 1.00 64.11 C ATOM 549 C THR A 34 8.707 -5.301 -4.821 1.00 3.33 C ATOM 550 O THR A 34 7.786 -4.953 -4.069 1.00 34.13 O ATOM 551 CB THR A 34 10.107 -3.580 -6.094 1.00 40.01 C ATOM 552 OG1 THR A 34 11.325 -4.271 -5.770 1.00 12.30 O ATOM 553 CG2 THR A 34 9.860 -2.469 -5.060 1.00 23.43 C ATOM 0 H THR A 34 7.323 -3.263 -5.843 1.00 72.40 H new ATOM 0 HA THR A 34 9.167 -5.326 -6.939 1.00 64.11 H new ATOM 0 HB THR A 34 10.194 -3.112 -7.075 1.00 40.01 H new ATOM 0 HG1 THR A 34 12.064 -3.628 -5.725 1.00 12.30 H new ATOM 0 HG21 THR A 34 10.714 -1.792 -5.042 1.00 23.43 H new ATOM 0 HG22 THR A 34 8.962 -1.913 -5.331 1.00 23.43 H new ATOM 0 HG23 THR A 34 9.728 -2.913 -4.073 1.00 23.43 H new ATOM 561 N ASP A 35 9.560 -6.284 -4.513 1.00 4.20 N ATOM 562 CA ASP A 35 9.555 -6.953 -3.198 1.00 41.41 C ATOM 563 C ASP A 35 10.690 -6.395 -2.319 1.00 31.51 C ATOM 564 O ASP A 35 10.674 -6.563 -1.091 1.00 2.44 O ATOM 565 CB ASP A 35 9.661 -8.493 -3.363 1.00 13.04 C ATOM 566 CG ASP A 35 11.054 -8.986 -3.797 1.00 21.21 C ATOM 567 OD1 ASP A 35 11.654 -9.830 -3.091 1.00 33.42 O ATOM 568 OD2 ASP A 35 11.545 -8.547 -4.857 1.00 33.44 O ATOM 0 H ASP A 35 10.267 -6.639 -5.157 1.00 4.20 H new ATOM 0 HA ASP A 35 8.609 -6.747 -2.698 1.00 41.41 H new ATOM 0 HB2 ASP A 35 9.398 -8.968 -2.418 1.00 13.04 H new ATOM 0 HB3 ASP A 35 8.926 -8.820 -4.099 1.00 13.04 H new ATOM 573 N ASP A 36 11.667 -5.718 -2.965 1.00 62.40 N ATOM 574 CA ASP A 36 12.805 -5.065 -2.286 1.00 70.32 C ATOM 575 C ASP A 36 12.337 -3.805 -1.545 1.00 73.00 C ATOM 576 O ASP A 36 11.956 -2.823 -2.196 1.00 41.14 O ATOM 577 CB ASP A 36 13.890 -4.658 -3.321 1.00 42.04 C ATOM 578 CG ASP A 36 14.483 -5.848 -4.080 1.00 70.20 C ATOM 579 OD1 ASP A 36 15.474 -6.437 -3.603 1.00 32.15 O ATOM 580 OD2 ASP A 36 13.966 -6.198 -5.164 1.00 71.54 O ATOM 0 H ASP A 36 11.686 -5.610 -3.979 1.00 62.40 H new ATOM 0 HA ASP A 36 13.223 -5.776 -1.573 1.00 70.32 H new ATOM 0 HB2 ASP A 36 13.455 -3.960 -4.037 1.00 42.04 H new ATOM 0 HB3 ASP A 36 14.692 -4.129 -2.807 1.00 42.04 H new ATOM 585 N LYS A 37 12.388 -3.826 -0.197 1.00 50.15 N ATOM 586 CA LYS A 37 12.014 -2.661 0.646 1.00 11.23 C ATOM 587 C LYS A 37 13.010 -1.495 0.468 1.00 62.45 C ATOM 588 O LYS A 37 12.694 -0.349 0.797 1.00 30.05 O ATOM 589 CB LYS A 37 11.858 -3.038 2.160 1.00 32.34 C ATOM 590 CG LYS A 37 13.146 -3.297 2.980 1.00 32.44 C ATOM 591 CD LYS A 37 13.884 -4.583 2.571 1.00 51.33 C ATOM 592 CE LYS A 37 15.101 -4.866 3.456 1.00 41.43 C ATOM 593 NZ LYS A 37 15.839 -6.078 3.020 1.00 64.11 N ATOM 0 H LYS A 37 12.686 -4.641 0.338 1.00 50.15 H new ATOM 0 HA LYS A 37 11.035 -2.331 0.299 1.00 11.23 H new ATOM 0 HB2 LYS A 37 11.306 -2.235 2.649 1.00 32.34 H new ATOM 0 HB3 LYS A 37 11.238 -3.933 2.219 1.00 32.34 H new ATOM 0 HG2 LYS A 37 13.819 -2.448 2.862 1.00 32.44 H new ATOM 0 HG3 LYS A 37 12.889 -3.356 4.038 1.00 32.44 H new ATOM 0 HD2 LYS A 37 13.195 -5.426 2.625 1.00 51.33 H new ATOM 0 HD3 LYS A 37 14.205 -4.499 1.533 1.00 51.33 H new ATOM 0 HE2 LYS A 37 15.771 -4.007 3.435 1.00 41.43 H new ATOM 0 HE3 LYS A 37 14.776 -4.992 4.489 1.00 41.43 H new ATOM 0 HZ1 LYS A 37 16.373 -6.467 3.823 1.00 64.11 H new ATOM 0 HZ2 LYS A 37 15.164 -6.790 2.675 1.00 64.11 H new ATOM 0 HZ3 LYS A 37 16.498 -5.827 2.256 1.00 64.11 H new ATOM 607 N GLU A 38 14.211 -1.815 -0.068 1.00 11.34 N ATOM 608 CA GLU A 38 15.226 -0.818 -0.451 1.00 12.13 C ATOM 609 C GLU A 38 14.678 0.044 -1.597 1.00 0.23 C ATOM 610 O GLU A 38 14.629 1.276 -1.508 1.00 63.21 O ATOM 611 CB GLU A 38 16.557 -1.486 -0.934 1.00 41.44 C ATOM 612 CG GLU A 38 17.290 -2.400 0.087 1.00 22.41 C ATOM 613 CD GLU A 38 16.782 -3.853 0.194 1.00 4.23 C ATOM 614 OE1 GLU A 38 15.835 -4.243 -0.513 1.00 51.44 O ATOM 615 OE2 GLU A 38 17.343 -4.618 1.003 1.00 33.22 O ATOM 0 H GLU A 38 14.500 -2.777 -0.246 1.00 11.34 H new ATOM 0 HA GLU A 38 15.443 -0.216 0.432 1.00 12.13 H new ATOM 0 HB2 GLU A 38 16.338 -2.077 -1.823 1.00 41.44 H new ATOM 0 HB3 GLU A 38 17.244 -0.696 -1.237 1.00 41.44 H new ATOM 0 HG2 GLU A 38 18.348 -2.426 -0.175 1.00 22.41 H new ATOM 0 HG3 GLU A 38 17.217 -1.939 1.072 1.00 22.41 H new ATOM 622 N LYS A 39 14.245 -0.662 -2.659 1.00 75.32 N ATOM 623 CA LYS A 39 13.742 -0.061 -3.904 1.00 12.32 C ATOM 624 C LYS A 39 12.479 0.778 -3.630 1.00 42.21 C ATOM 625 O LYS A 39 12.305 1.859 -4.203 1.00 75.31 O ATOM 626 CB LYS A 39 13.454 -1.180 -4.942 1.00 53.14 C ATOM 627 CG LYS A 39 13.056 -0.685 -6.351 1.00 5.32 C ATOM 628 CD LYS A 39 14.202 0.062 -7.067 1.00 74.22 C ATOM 629 CE LYS A 39 13.811 0.514 -8.478 1.00 43.15 C ATOM 630 NZ LYS A 39 14.943 1.153 -9.195 1.00 21.42 N ATOM 0 H LYS A 39 14.236 -1.682 -2.674 1.00 75.32 H new ATOM 0 HA LYS A 39 14.501 0.608 -4.311 1.00 12.32 H new ATOM 0 HB2 LYS A 39 14.341 -1.807 -5.032 1.00 53.14 H new ATOM 0 HB3 LYS A 39 12.654 -1.813 -4.557 1.00 53.14 H new ATOM 0 HG2 LYS A 39 12.749 -1.537 -6.957 1.00 5.32 H new ATOM 0 HG3 LYS A 39 12.193 -0.024 -6.269 1.00 5.32 H new ATOM 0 HD2 LYS A 39 14.490 0.932 -6.476 1.00 74.22 H new ATOM 0 HD3 LYS A 39 15.075 -0.588 -7.125 1.00 74.22 H new ATOM 0 HE2 LYS A 39 13.460 -0.346 -9.049 1.00 43.15 H new ATOM 0 HE3 LYS A 39 12.980 1.216 -8.416 1.00 43.15 H new ATOM 0 HZ1 LYS A 39 14.633 1.443 -10.145 1.00 21.42 H new ATOM 0 HZ2 LYS A 39 15.262 1.989 -8.665 1.00 21.42 H new ATOM 0 HZ3 LYS A 39 15.728 0.476 -9.279 1.00 21.42 H new ATOM 644 N VAL A 40 11.618 0.256 -2.727 1.00 45.44 N ATOM 645 CA VAL A 40 10.421 0.954 -2.241 1.00 63.54 C ATOM 646 C VAL A 40 10.794 2.333 -1.658 1.00 54.31 C ATOM 647 O VAL A 40 10.259 3.351 -2.096 1.00 71.02 O ATOM 648 CB VAL A 40 9.667 0.103 -1.151 1.00 50.42 C ATOM 649 CG1 VAL A 40 8.469 0.875 -0.571 1.00 13.12 C ATOM 650 CG2 VAL A 40 9.206 -1.267 -1.701 1.00 52.22 C ATOM 0 H VAL A 40 11.742 -0.669 -2.316 1.00 45.44 H new ATOM 0 HA VAL A 40 9.755 1.094 -3.092 1.00 63.54 H new ATOM 0 HB VAL A 40 10.382 -0.084 -0.349 1.00 50.42 H new ATOM 0 HG11 VAL A 40 7.969 0.261 0.178 1.00 13.12 H new ATOM 0 HG12 VAL A 40 8.820 1.798 -0.109 1.00 13.12 H new ATOM 0 HG13 VAL A 40 7.768 1.113 -1.371 1.00 13.12 H new ATOM 0 HG21 VAL A 40 8.691 -1.820 -0.915 1.00 52.22 H new ATOM 0 HG22 VAL A 40 8.528 -1.113 -2.540 1.00 52.22 H new ATOM 0 HG23 VAL A 40 10.074 -1.836 -2.035 1.00 52.22 H new ATOM 660 N LYS A 41 11.741 2.337 -0.692 1.00 71.32 N ATOM 661 CA LYS A 41 12.168 3.565 0.022 1.00 61.11 C ATOM 662 C LYS A 41 12.749 4.616 -0.940 1.00 70.41 C ATOM 663 O LYS A 41 12.505 5.815 -0.774 1.00 62.02 O ATOM 664 CB LYS A 41 13.215 3.237 1.113 1.00 11.11 C ATOM 665 CG LYS A 41 12.653 2.461 2.314 1.00 50.02 C ATOM 666 CD LYS A 41 13.744 2.168 3.365 1.00 62.43 C ATOM 667 CE LYS A 41 13.200 1.429 4.586 1.00 12.52 C ATOM 668 NZ LYS A 41 14.272 1.127 5.580 1.00 11.21 N ATOM 0 H LYS A 41 12.229 1.495 -0.386 1.00 71.32 H new ATOM 0 HA LYS A 41 11.275 3.981 0.490 1.00 61.11 H new ATOM 0 HB2 LYS A 41 14.021 2.656 0.664 1.00 11.11 H new ATOM 0 HB3 LYS A 41 13.655 4.168 1.470 1.00 11.11 H new ATOM 0 HG2 LYS A 41 11.849 3.035 2.774 1.00 50.02 H new ATOM 0 HG3 LYS A 41 12.218 1.523 1.970 1.00 50.02 H new ATOM 0 HD2 LYS A 41 14.534 1.573 2.907 1.00 62.43 H new ATOM 0 HD3 LYS A 41 14.197 3.107 3.685 1.00 62.43 H new ATOM 0 HE2 LYS A 41 12.426 2.032 5.060 1.00 12.52 H new ATOM 0 HE3 LYS A 41 12.729 0.499 4.267 1.00 12.52 H new ATOM 0 HZ1 LYS A 41 14.010 0.283 6.128 1.00 11.21 H new ATOM 0 HZ2 LYS A 41 15.168 0.952 5.082 1.00 11.21 H new ATOM 0 HZ3 LYS A 41 14.386 1.936 6.224 1.00 11.21 H new ATOM 682 N GLU A 42 13.522 4.135 -1.933 1.00 62.42 N ATOM 683 CA GLU A 42 14.131 4.984 -2.976 1.00 23.11 C ATOM 684 C GLU A 42 13.047 5.702 -3.798 1.00 61.33 C ATOM 685 O GLU A 42 13.159 6.898 -4.072 1.00 73.33 O ATOM 686 CB GLU A 42 15.027 4.125 -3.909 1.00 65.21 C ATOM 687 CG GLU A 42 16.283 3.555 -3.229 1.00 3.03 C ATOM 688 CD GLU A 42 17.053 2.576 -4.133 1.00 1.12 C ATOM 689 OE1 GLU A 42 17.743 3.037 -5.075 1.00 20.02 O ATOM 690 OE2 GLU A 42 16.985 1.348 -3.905 1.00 1.14 O ATOM 0 H GLU A 42 13.742 3.144 -2.035 1.00 62.42 H new ATOM 0 HA GLU A 42 14.747 5.739 -2.487 1.00 23.11 H new ATOM 0 HB2 GLU A 42 14.435 3.299 -4.303 1.00 65.21 H new ATOM 0 HB3 GLU A 42 15.333 4.733 -4.761 1.00 65.21 H new ATOM 0 HG2 GLU A 42 16.942 4.376 -2.944 1.00 3.03 H new ATOM 0 HG3 GLU A 42 15.994 3.045 -2.310 1.00 3.03 H new ATOM 697 N GLU A 43 11.986 4.961 -4.171 1.00 24.21 N ATOM 698 CA GLU A 43 10.907 5.500 -5.020 1.00 63.15 C ATOM 699 C GLU A 43 9.872 6.306 -4.208 1.00 71.54 C ATOM 700 O GLU A 43 9.155 7.126 -4.786 1.00 53.30 O ATOM 701 CB GLU A 43 10.257 4.371 -5.858 1.00 53.32 C ATOM 702 CG GLU A 43 11.274 3.660 -6.781 1.00 74.10 C ATOM 703 CD GLU A 43 10.635 2.873 -7.930 1.00 65.23 C ATOM 704 OE1 GLU A 43 10.107 3.510 -8.865 1.00 23.32 O ATOM 705 OE2 GLU A 43 10.676 1.630 -7.928 1.00 45.14 O ATOM 0 H GLU A 43 11.853 3.987 -3.897 1.00 24.21 H new ATOM 0 HA GLU A 43 11.353 6.210 -5.717 1.00 63.15 H new ATOM 0 HB2 GLU A 43 9.805 3.639 -5.188 1.00 53.32 H new ATOM 0 HB3 GLU A 43 9.452 4.789 -6.463 1.00 53.32 H new ATOM 0 HG2 GLU A 43 11.952 4.405 -7.198 1.00 74.10 H new ATOM 0 HG3 GLU A 43 11.878 2.980 -6.181 1.00 74.10 H new ATOM 712 N ILE A 44 9.809 6.085 -2.876 1.00 0.35 N ATOM 713 CA ILE A 44 9.057 6.975 -1.957 1.00 10.53 C ATOM 714 C ILE A 44 9.810 8.323 -1.856 1.00 13.34 C ATOM 715 O ILE A 44 9.197 9.388 -1.808 1.00 24.43 O ATOM 716 CB ILE A 44 8.871 6.343 -0.514 1.00 41.41 C ATOM 717 CG1 ILE A 44 8.007 5.040 -0.572 1.00 10.21 C ATOM 718 CG2 ILE A 44 8.253 7.360 0.485 1.00 34.00 C ATOM 719 CD1 ILE A 44 7.838 4.323 0.761 1.00 25.55 C ATOM 0 H ILE A 44 10.268 5.301 -2.412 1.00 0.35 H new ATOM 0 HA ILE A 44 8.056 7.120 -2.363 1.00 10.53 H new ATOM 0 HB ILE A 44 9.865 6.080 -0.151 1.00 41.41 H new ATOM 0 HG12 ILE A 44 7.020 5.293 -0.960 1.00 10.21 H new ATOM 0 HG13 ILE A 44 8.462 4.351 -1.283 1.00 10.21 H new ATOM 0 HG21 ILE A 44 8.142 6.889 1.462 1.00 34.00 H new ATOM 0 HG22 ILE A 44 8.907 8.227 0.573 1.00 34.00 H new ATOM 0 HG23 ILE A 44 7.276 7.678 0.122 1.00 34.00 H new ATOM 0 HD11 ILE A 44 7.225 3.433 0.620 1.00 25.55 H new ATOM 0 HD12 ILE A 44 8.816 4.033 1.145 1.00 25.55 H new ATOM 0 HD13 ILE A 44 7.352 4.989 1.473 1.00 25.55 H new ATOM 731 N GLU A 45 11.157 8.238 -1.872 1.00 45.42 N ATOM 732 CA GLU A 45 12.069 9.399 -1.785 1.00 0.10 C ATOM 733 C GLU A 45 11.987 10.250 -3.088 1.00 32.11 C ATOM 734 O GLU A 45 12.194 11.473 -3.063 1.00 75.31 O ATOM 735 CB GLU A 45 13.528 8.877 -1.500 1.00 34.32 C ATOM 736 CG GLU A 45 14.372 9.719 -0.513 1.00 13.41 C ATOM 737 CD GLU A 45 14.822 11.084 -1.061 1.00 61.41 C ATOM 738 OE1 GLU A 45 14.149 12.108 -0.800 1.00 33.23 O ATOM 739 OE2 GLU A 45 15.849 11.142 -1.770 1.00 55.43 O ATOM 0 H GLU A 45 11.649 7.348 -1.947 1.00 45.42 H new ATOM 0 HA GLU A 45 11.774 10.054 -0.965 1.00 0.10 H new ATOM 0 HB2 GLU A 45 13.459 7.861 -1.112 1.00 34.32 H new ATOM 0 HB3 GLU A 45 14.063 8.821 -2.448 1.00 34.32 H new ATOM 0 HG2 GLU A 45 13.792 9.880 0.396 1.00 13.41 H new ATOM 0 HG3 GLU A 45 15.255 9.146 -0.230 1.00 13.41 H new ATOM 746 N LYS A 46 11.664 9.585 -4.217 1.00 12.02 N ATOM 747 CA LYS A 46 11.451 10.252 -5.517 1.00 15.51 C ATOM 748 C LYS A 46 10.042 10.867 -5.578 1.00 24.34 C ATOM 749 O LYS A 46 9.892 12.058 -5.874 1.00 45.40 O ATOM 750 CB LYS A 46 11.667 9.256 -6.688 1.00 22.45 C ATOM 751 CG LYS A 46 13.103 8.697 -6.777 1.00 44.25 C ATOM 752 CD LYS A 46 13.323 7.768 -7.989 1.00 44.40 C ATOM 753 CE LYS A 46 13.210 8.502 -9.337 1.00 23.30 C ATOM 754 NZ LYS A 46 13.553 7.609 -10.476 1.00 22.44 N ATOM 0 H LYS A 46 11.544 8.573 -4.252 1.00 12.02 H new ATOM 0 HA LYS A 46 12.182 11.054 -5.617 1.00 15.51 H new ATOM 0 HB2 LYS A 46 10.970 8.425 -6.578 1.00 22.45 H new ATOM 0 HB3 LYS A 46 11.423 9.755 -7.626 1.00 22.45 H new ATOM 0 HG2 LYS A 46 13.806 9.528 -6.833 1.00 44.25 H new ATOM 0 HG3 LYS A 46 13.329 8.149 -5.862 1.00 44.25 H new ATOM 0 HD2 LYS A 46 14.308 7.308 -7.913 1.00 44.40 H new ATOM 0 HD3 LYS A 46 12.591 6.961 -7.959 1.00 44.40 H new ATOM 0 HE2 LYS A 46 12.195 8.880 -9.463 1.00 23.30 H new ATOM 0 HE3 LYS A 46 13.874 9.366 -9.338 1.00 23.30 H new ATOM 0 HZ1 LYS A 46 13.466 8.136 -11.368 1.00 22.44 H new ATOM 0 HZ2 LYS A 46 14.530 7.269 -10.368 1.00 22.44 H new ATOM 0 HZ3 LYS A 46 12.903 6.797 -10.489 1.00 22.44 H new ATOM 768 N ALA A 47 9.018 10.041 -5.240 1.00 2.41 N ATOM 769 CA ALA A 47 7.590 10.455 -5.254 1.00 34.32 C ATOM 770 C ALA A 47 7.317 11.575 -4.239 1.00 51.44 C ATOM 771 O ALA A 47 6.331 12.317 -4.364 1.00 44.14 O ATOM 772 CB ALA A 47 6.680 9.248 -4.989 1.00 34.23 C ATOM 0 H ALA A 47 9.158 9.073 -4.951 1.00 2.41 H new ATOM 0 HA ALA A 47 7.367 10.850 -6.245 1.00 34.32 H new ATOM 0 HB1 ALA A 47 5.638 9.568 -5.003 1.00 34.23 H new ATOM 0 HB2 ALA A 47 6.839 8.496 -5.762 1.00 34.23 H new ATOM 0 HB3 ALA A 47 6.916 8.822 -4.014 1.00 34.23 H new ATOM 778 N ARG A 48 8.213 11.663 -3.237 1.00 62.51 N ATOM 779 CA ARG A 48 8.243 12.739 -2.248 1.00 42.43 C ATOM 780 C ARG A 48 8.375 14.103 -2.949 1.00 5.55 C ATOM 781 O ARG A 48 7.515 14.974 -2.803 1.00 33.11 O ATOM 782 CB ARG A 48 9.445 12.520 -1.285 1.00 43.02 C ATOM 783 CG ARG A 48 9.469 13.476 -0.081 1.00 41.44 C ATOM 784 CD ARG A 48 8.326 13.201 0.912 1.00 10.12 C ATOM 785 NE ARG A 48 8.283 14.190 1.995 1.00 1.55 N ATOM 786 CZ ARG A 48 9.059 14.183 3.083 1.00 14.33 C ATOM 787 NH1 ARG A 48 9.967 13.230 3.285 1.00 24.13 N ATOM 788 NH2 ARG A 48 8.914 15.151 3.969 1.00 35.53 N ATOM 0 H ARG A 48 8.948 10.970 -3.096 1.00 62.51 H new ATOM 0 HA ARG A 48 7.313 12.729 -1.679 1.00 42.43 H new ATOM 0 HB2 ARG A 48 9.421 11.493 -0.919 1.00 43.02 H new ATOM 0 HB3 ARG A 48 10.372 12.637 -1.846 1.00 43.02 H new ATOM 0 HG2 ARG A 48 10.425 13.382 0.435 1.00 41.44 H new ATOM 0 HG3 ARG A 48 9.398 14.504 -0.436 1.00 41.44 H new ATOM 0 HD2 ARG A 48 7.375 13.206 0.379 1.00 10.12 H new ATOM 0 HD3 ARG A 48 8.448 12.205 1.337 1.00 10.12 H new ATOM 0 HE ARG A 48 7.604 14.946 1.910 1.00 1.55 H new ATOM 0 HH11 ARG A 48 10.083 12.482 2.601 1.00 24.13 H new ATOM 0 HH12 ARG A 48 10.547 13.248 4.124 1.00 24.13 H new ATOM 0 HH21 ARG A 48 8.221 15.883 3.815 1.00 35.53 H new ATOM 0 HH22 ARG A 48 9.495 15.166 4.807 1.00 35.53 H new ATOM 802 N LYS A 49 9.448 14.242 -3.754 1.00 64.54 N ATOM 803 CA LYS A 49 9.777 15.496 -4.466 1.00 11.22 C ATOM 804 C LYS A 49 8.724 15.807 -5.548 1.00 13.12 C ATOM 805 O LYS A 49 8.428 16.975 -5.830 1.00 30.20 O ATOM 806 CB LYS A 49 11.180 15.393 -5.120 1.00 51.34 C ATOM 807 CG LYS A 49 12.323 15.052 -4.140 1.00 34.25 C ATOM 808 CD LYS A 49 13.696 15.009 -4.848 1.00 0.32 C ATOM 809 CE LYS A 49 14.840 14.582 -3.918 1.00 35.33 C ATOM 810 NZ LYS A 49 14.663 13.190 -3.421 1.00 24.25 N ATOM 0 H LYS A 49 10.112 13.488 -3.930 1.00 64.54 H new ATOM 0 HA LYS A 49 9.778 16.306 -3.736 1.00 11.22 H new ATOM 0 HB2 LYS A 49 11.148 14.631 -5.899 1.00 51.34 H new ATOM 0 HB3 LYS A 49 11.409 16.340 -5.609 1.00 51.34 H new ATOM 0 HG2 LYS A 49 12.350 15.793 -3.341 1.00 34.25 H new ATOM 0 HG3 LYS A 49 12.125 14.087 -3.673 1.00 34.25 H new ATOM 0 HD2 LYS A 49 13.643 14.318 -5.689 1.00 0.32 H new ATOM 0 HD3 LYS A 49 13.918 15.994 -5.258 1.00 0.32 H new ATOM 0 HE2 LYS A 49 15.788 14.659 -4.450 1.00 35.33 H new ATOM 0 HE3 LYS A 49 14.893 15.266 -3.071 1.00 35.33 H new ATOM 0 HZ1 LYS A 49 15.530 12.645 -3.600 1.00 24.25 H new ATOM 0 HZ2 LYS A 49 14.470 13.208 -2.399 1.00 24.25 H new ATOM 0 HZ3 LYS A 49 13.865 12.743 -3.916 1.00 24.25 H new ATOM 824 N GLN A 50 8.177 14.734 -6.148 1.00 71.53 N ATOM 825 CA GLN A 50 7.134 14.817 -7.183 1.00 31.12 C ATOM 826 C GLN A 50 5.788 15.283 -6.582 1.00 42.30 C ATOM 827 O GLN A 50 4.967 15.896 -7.277 1.00 72.35 O ATOM 828 CB GLN A 50 6.971 13.430 -7.865 1.00 23.11 C ATOM 829 CG GLN A 50 8.235 12.921 -8.597 1.00 14.30 C ATOM 830 CD GLN A 50 8.094 11.480 -9.103 1.00 33.32 C ATOM 831 OE1 GLN A 50 8.440 10.519 -8.415 1.00 50.21 O ATOM 832 NE2 GLN A 50 7.574 11.318 -10.305 1.00 1.45 N ATOM 0 H GLN A 50 8.450 13.777 -5.925 1.00 71.53 H new ATOM 0 HA GLN A 50 7.438 15.554 -7.927 1.00 31.12 H new ATOM 0 HB2 GLN A 50 6.686 12.699 -7.109 1.00 23.11 H new ATOM 0 HB3 GLN A 50 6.150 13.485 -8.580 1.00 23.11 H new ATOM 0 HG2 GLN A 50 8.449 13.577 -9.441 1.00 14.30 H new ATOM 0 HG3 GLN A 50 9.089 12.981 -7.922 1.00 14.30 H new ATOM 0 HE21 GLN A 50 7.296 12.131 -10.854 1.00 1.45 H new ATOM 0 HE22 GLN A 50 7.450 10.380 -10.685 1.00 1.45 H new ATOM 841 N GLY A 51 5.574 14.974 -5.284 1.00 63.32 N ATOM 842 CA GLY A 51 4.345 15.342 -4.565 1.00 22.14 C ATOM 843 C GLY A 51 3.132 14.484 -4.932 1.00 11.21 C ATOM 844 O GLY A 51 2.036 14.697 -4.397 1.00 22.22 O ATOM 0 H GLY A 51 6.248 14.465 -4.712 1.00 63.32 H new ATOM 0 HA2 GLY A 51 4.525 15.260 -3.493 1.00 22.14 H new ATOM 0 HA3 GLY A 51 4.114 16.387 -4.771 1.00 22.14 H new ATOM 848 N ARG A 52 3.331 13.506 -5.838 1.00 73.05 N ATOM 849 CA ARG A 52 2.270 12.589 -6.291 1.00 44.14 C ATOM 850 C ARG A 52 2.185 11.389 -5.327 1.00 33.21 C ATOM 851 O ARG A 52 3.207 11.002 -4.734 1.00 3.14 O ATOM 852 CB ARG A 52 2.545 12.109 -7.753 1.00 45.12 C ATOM 853 CG ARG A 52 3.814 11.240 -7.935 1.00 4.00 C ATOM 854 CD ARG A 52 4.181 10.991 -9.413 1.00 40.15 C ATOM 855 NE ARG A 52 3.201 10.145 -10.128 1.00 34.51 N ATOM 856 CZ ARG A 52 3.257 9.840 -11.443 1.00 62.03 C ATOM 857 NH1 ARG A 52 4.224 10.320 -12.222 1.00 5.02 N ATOM 858 NH2 ARG A 52 2.348 9.021 -11.961 1.00 14.11 N ATOM 0 H ARG A 52 4.235 13.331 -6.276 1.00 73.05 H new ATOM 0 HA ARG A 52 1.315 13.115 -6.288 1.00 44.14 H new ATOM 0 HB2 ARG A 52 1.682 11.540 -8.100 1.00 45.12 H new ATOM 0 HB3 ARG A 52 2.629 12.985 -8.396 1.00 45.12 H new ATOM 0 HG2 ARG A 52 4.653 11.727 -7.437 1.00 4.00 H new ATOM 0 HG3 ARG A 52 3.662 10.281 -7.440 1.00 4.00 H new ATOM 0 HD2 ARG A 52 4.264 11.950 -9.925 1.00 40.15 H new ATOM 0 HD3 ARG A 52 5.162 10.518 -9.461 1.00 40.15 H new ATOM 0 HE ARG A 52 2.425 9.763 -9.588 1.00 34.51 H new ATOM 0 HH11 ARG A 52 4.940 10.930 -11.828 1.00 5.02 H new ATOM 0 HH12 ARG A 52 4.248 10.078 -13.213 1.00 5.02 H new ATOM 0 HH21 ARG A 52 1.617 8.629 -11.367 1.00 14.11 H new ATOM 0 HH22 ARG A 52 2.381 8.784 -12.953 1.00 14.11 H new ATOM 872 N PRO A 53 0.969 10.801 -5.119 1.00 72.33 N ATOM 873 CA PRO A 53 0.835 9.555 -4.340 1.00 71.13 C ATOM 874 C PRO A 53 1.527 8.368 -5.049 1.00 32.34 C ATOM 875 O PRO A 53 1.566 8.309 -6.283 1.00 14.31 O ATOM 876 CB PRO A 53 -0.700 9.352 -4.230 1.00 33.53 C ATOM 877 CG PRO A 53 -1.280 10.125 -5.377 1.00 64.30 C ATOM 878 CD PRO A 53 -0.356 11.303 -5.597 1.00 34.22 C ATOM 0 HA PRO A 53 1.316 9.613 -3.363 1.00 71.13 H new ATOM 0 HB2 PRO A 53 -0.963 8.296 -4.293 1.00 33.53 H new ATOM 0 HB3 PRO A 53 -1.079 9.719 -3.276 1.00 33.53 H new ATOM 0 HG2 PRO A 53 -1.343 9.506 -6.272 1.00 64.30 H new ATOM 0 HG3 PRO A 53 -2.292 10.460 -5.149 1.00 64.30 H new ATOM 0 HD2 PRO A 53 -0.320 11.594 -6.647 1.00 34.22 H new ATOM 0 HD3 PRO A 53 -0.680 12.178 -5.034 1.00 34.22 H new ATOM 886 N ILE A 54 2.094 7.454 -4.256 1.00 34.12 N ATOM 887 CA ILE A 54 2.744 6.238 -4.750 1.00 45.52 C ATOM 888 C ILE A 54 2.086 5.007 -4.094 1.00 62.51 C ATOM 889 O ILE A 54 1.800 5.008 -2.894 1.00 72.24 O ATOM 890 CB ILE A 54 4.298 6.282 -4.487 1.00 11.00 C ATOM 891 CG1 ILE A 54 5.007 5.029 -5.084 1.00 55.34 C ATOM 892 CG2 ILE A 54 4.628 6.461 -2.984 1.00 12.51 C ATOM 893 CD1 ILE A 54 6.523 5.066 -5.006 1.00 31.12 C ATOM 0 H ILE A 54 2.114 7.540 -3.240 1.00 34.12 H new ATOM 0 HA ILE A 54 2.610 6.168 -5.830 1.00 45.52 H new ATOM 0 HB ILE A 54 4.687 7.160 -5.002 1.00 11.00 H new ATOM 0 HG12 ILE A 54 4.651 4.142 -4.561 1.00 55.34 H new ATOM 0 HG13 ILE A 54 4.712 4.923 -6.128 1.00 55.34 H new ATOM 0 HG21 ILE A 54 5.709 6.486 -2.849 1.00 12.51 H new ATOM 0 HG22 ILE A 54 4.196 7.395 -2.625 1.00 12.51 H new ATOM 0 HG23 ILE A 54 4.211 5.628 -2.418 1.00 12.51 H new ATOM 0 HD11 ILE A 54 6.932 4.156 -5.444 1.00 31.12 H new ATOM 0 HD12 ILE A 54 6.895 5.931 -5.555 1.00 31.12 H new ATOM 0 HD13 ILE A 54 6.832 5.138 -3.963 1.00 31.12 H new ATOM 905 N VAL A 55 1.815 3.969 -4.906 1.00 72.02 N ATOM 906 CA VAL A 55 1.192 2.720 -4.451 1.00 3.00 C ATOM 907 C VAL A 55 2.193 1.583 -4.663 1.00 42.13 C ATOM 908 O VAL A 55 2.617 1.329 -5.790 1.00 71.50 O ATOM 909 CB VAL A 55 -0.151 2.403 -5.209 1.00 41.34 C ATOM 910 CG1 VAL A 55 -0.844 1.163 -4.598 1.00 61.34 C ATOM 911 CG2 VAL A 55 -1.102 3.621 -5.205 1.00 2.21 C ATOM 0 H VAL A 55 2.025 3.977 -5.904 1.00 72.02 H new ATOM 0 HA VAL A 55 0.936 2.826 -3.397 1.00 3.00 H new ATOM 0 HB VAL A 55 0.098 2.181 -6.247 1.00 41.34 H new ATOM 0 HG11 VAL A 55 -1.770 0.961 -5.136 1.00 61.34 H new ATOM 0 HG12 VAL A 55 -0.183 0.300 -4.678 1.00 61.34 H new ATOM 0 HG13 VAL A 55 -1.069 1.352 -3.548 1.00 61.34 H new ATOM 0 HG21 VAL A 55 -2.019 3.368 -5.736 1.00 2.21 H new ATOM 0 HG22 VAL A 55 -1.341 3.892 -4.177 1.00 2.21 H new ATOM 0 HG23 VAL A 55 -0.617 4.463 -5.699 1.00 2.21 H new ATOM 921 N ILE A 56 2.571 0.922 -3.573 1.00 43.01 N ATOM 922 CA ILE A 56 3.569 -0.146 -3.558 1.00 71.43 C ATOM 923 C ILE A 56 2.857 -1.509 -3.492 1.00 32.32 C ATOM 924 O ILE A 56 1.892 -1.671 -2.741 1.00 25.22 O ATOM 925 CB ILE A 56 4.533 0.022 -2.326 1.00 54.13 C ATOM 926 CG1 ILE A 56 5.203 1.438 -2.319 1.00 44.11 C ATOM 927 CG2 ILE A 56 5.603 -1.095 -2.290 1.00 3.44 C ATOM 928 CD1 ILE A 56 6.149 1.706 -3.478 1.00 52.44 C ATOM 0 H ILE A 56 2.182 1.119 -2.651 1.00 43.01 H new ATOM 0 HA ILE A 56 4.164 -0.092 -4.470 1.00 71.43 H new ATOM 0 HB ILE A 56 3.928 -0.068 -1.424 1.00 54.13 H new ATOM 0 HG12 ILE A 56 4.419 2.195 -2.327 1.00 44.11 H new ATOM 0 HG13 ILE A 56 5.753 1.559 -1.385 1.00 44.11 H new ATOM 0 HG21 ILE A 56 6.252 -0.949 -1.427 1.00 3.44 H new ATOM 0 HG22 ILE A 56 5.113 -2.066 -2.216 1.00 3.44 H new ATOM 0 HG23 ILE A 56 6.198 -1.058 -3.202 1.00 3.44 H new ATOM 0 HD11 ILE A 56 6.562 2.710 -3.385 1.00 52.44 H new ATOM 0 HD12 ILE A 56 6.959 0.977 -3.462 1.00 52.44 H new ATOM 0 HD13 ILE A 56 5.605 1.623 -4.419 1.00 52.44 H new ATOM 940 N PHE A 57 3.340 -2.476 -4.288 1.00 41.02 N ATOM 941 CA PHE A 57 2.805 -3.842 -4.346 1.00 13.24 C ATOM 942 C PHE A 57 3.954 -4.824 -4.081 1.00 61.51 C ATOM 943 O PHE A 57 4.880 -4.931 -4.888 1.00 11.34 O ATOM 944 CB PHE A 57 2.179 -4.124 -5.737 1.00 21.45 C ATOM 945 CG PHE A 57 1.084 -3.153 -6.164 1.00 54.23 C ATOM 946 CD1 PHE A 57 -0.222 -3.311 -5.720 1.00 33.04 C ATOM 947 CD2 PHE A 57 1.365 -2.078 -7.018 1.00 61.42 C ATOM 948 CE1 PHE A 57 -1.214 -2.431 -6.103 1.00 64.21 C ATOM 949 CE2 PHE A 57 0.370 -1.201 -7.398 1.00 14.24 C ATOM 950 CZ PHE A 57 -0.916 -1.381 -6.945 1.00 24.14 C ATOM 0 H PHE A 57 4.127 -2.326 -4.920 1.00 41.02 H new ATOM 0 HA PHE A 57 2.025 -3.961 -3.594 1.00 13.24 H new ATOM 0 HB2 PHE A 57 2.972 -4.105 -6.485 1.00 21.45 H new ATOM 0 HB3 PHE A 57 1.767 -5.133 -5.735 1.00 21.45 H new ATOM 0 HD1 PHE A 57 -0.465 -4.135 -5.065 1.00 33.04 H new ATOM 0 HD2 PHE A 57 2.371 -1.934 -7.383 1.00 61.42 H new ATOM 0 HE1 PHE A 57 -2.223 -2.565 -5.743 1.00 64.21 H new ATOM 0 HE2 PHE A 57 0.601 -0.373 -8.051 1.00 14.24 H new ATOM 0 HZ PHE A 57 -1.695 -0.698 -7.250 1.00 24.14 H new ATOM 960 N ILE A 58 3.906 -5.522 -2.936 1.00 1.44 N ATOM 961 CA ILE A 58 4.975 -6.448 -2.511 1.00 31.40 C ATOM 962 C ILE A 58 4.434 -7.882 -2.429 1.00 20.23 C ATOM 963 O ILE A 58 3.415 -8.132 -1.763 1.00 51.21 O ATOM 964 CB ILE A 58 5.578 -6.037 -1.117 1.00 24.51 C ATOM 965 CG1 ILE A 58 6.070 -4.559 -1.140 1.00 61.21 C ATOM 966 CG2 ILE A 58 6.725 -6.997 -0.703 1.00 54.23 C ATOM 967 CD1 ILE A 58 6.565 -4.033 0.192 1.00 41.21 C ATOM 0 H ILE A 58 3.129 -5.463 -2.278 1.00 1.44 H new ATOM 0 HA ILE A 58 5.768 -6.395 -3.257 1.00 31.40 H new ATOM 0 HB ILE A 58 4.788 -6.118 -0.371 1.00 24.51 H new ATOM 0 HG12 ILE A 58 6.873 -4.470 -1.871 1.00 61.21 H new ATOM 0 HG13 ILE A 58 5.253 -3.924 -1.485 1.00 61.21 H new ATOM 0 HG21 ILE A 58 7.124 -6.691 0.264 1.00 54.23 H new ATOM 0 HG22 ILE A 58 6.340 -8.014 -0.631 1.00 54.23 H new ATOM 0 HG23 ILE A 58 7.517 -6.961 -1.451 1.00 54.23 H new ATOM 0 HD11 ILE A 58 6.886 -2.998 0.078 1.00 41.21 H new ATOM 0 HD12 ILE A 58 5.760 -4.084 0.925 1.00 41.21 H new ATOM 0 HD13 ILE A 58 7.405 -4.638 0.533 1.00 41.21 H new ATOM 979 N ARG A 59 5.108 -8.811 -3.139 1.00 32.05 N ATOM 980 CA ARG A 59 4.820 -10.248 -3.054 1.00 31.21 C ATOM 981 C ARG A 59 5.260 -10.775 -1.678 1.00 52.24 C ATOM 982 O ARG A 59 6.466 -10.896 -1.420 1.00 24.44 O ATOM 983 CB ARG A 59 5.549 -11.024 -4.187 1.00 0.31 C ATOM 984 CG ARG A 59 5.373 -12.558 -4.106 1.00 65.22 C ATOM 985 CD ARG A 59 6.356 -13.324 -5.001 1.00 60.13 C ATOM 986 NE ARG A 59 7.762 -12.964 -4.739 1.00 65.03 N ATOM 987 CZ ARG A 59 8.573 -13.582 -3.865 1.00 43.13 C ATOM 988 NH1 ARG A 59 8.141 -14.611 -3.133 1.00 44.04 N ATOM 989 NH2 ARG A 59 9.822 -13.161 -3.730 1.00 75.44 N ATOM 0 H ARG A 59 5.864 -8.581 -3.784 1.00 32.05 H new ATOM 0 HA ARG A 59 3.748 -10.402 -3.176 1.00 31.21 H new ATOM 0 HB2 ARG A 59 5.177 -10.675 -5.151 1.00 0.31 H new ATOM 0 HB3 ARG A 59 6.612 -10.787 -4.151 1.00 0.31 H new ATOM 0 HG2 ARG A 59 5.506 -12.879 -3.073 1.00 65.22 H new ATOM 0 HG3 ARG A 59 4.353 -12.816 -4.392 1.00 65.22 H new ATOM 0 HD2 ARG A 59 6.224 -14.395 -4.845 1.00 60.13 H new ATOM 0 HD3 ARG A 59 6.122 -13.123 -6.046 1.00 60.13 H new ATOM 0 HE ARG A 59 8.150 -12.181 -5.265 1.00 65.03 H new ATOM 0 HH11 ARG A 59 7.181 -14.940 -3.233 1.00 44.04 H new ATOM 0 HH12 ARG A 59 8.771 -15.068 -2.474 1.00 44.04 H new ATOM 0 HH21 ARG A 59 10.158 -12.375 -4.287 1.00 75.44 H new ATOM 0 HH22 ARG A 59 10.447 -13.623 -3.069 1.00 75.44 H new ATOM 1003 N GLY A 60 4.265 -11.063 -0.814 1.00 3.22 N ATOM 1004 CA GLY A 60 4.487 -11.636 0.512 1.00 12.23 C ATOM 1005 C GLY A 60 5.503 -10.883 1.358 1.00 3.32 C ATOM 1006 O GLY A 60 6.588 -11.410 1.652 1.00 4.23 O ATOM 0 H GLY A 60 3.281 -10.900 -1.027 1.00 3.22 H new ATOM 0 HA2 GLY A 60 3.537 -11.665 1.046 1.00 12.23 H new ATOM 0 HA3 GLY A 60 4.820 -12.668 0.398 1.00 12.23 H new ATOM 1010 N ALA A 61 5.179 -9.626 1.705 1.00 54.44 N ATOM 1011 CA ALA A 61 6.006 -8.829 2.617 1.00 55.12 C ATOM 1012 C ALA A 61 5.926 -9.427 4.029 1.00 64.44 C ATOM 1013 O ALA A 61 4.838 -9.489 4.619 1.00 5.42 O ATOM 1014 CB ALA A 61 5.551 -7.363 2.631 1.00 73.33 C ATOM 0 H ALA A 61 4.348 -9.142 1.365 1.00 54.44 H new ATOM 0 HA ALA A 61 7.039 -8.854 2.270 1.00 55.12 H new ATOM 0 HB1 ALA A 61 6.180 -6.793 3.315 1.00 73.33 H new ATOM 0 HB2 ALA A 61 5.636 -6.946 1.627 1.00 73.33 H new ATOM 0 HB3 ALA A 61 4.514 -7.307 2.961 1.00 73.33 H new ATOM 1020 N THR A 62 7.069 -9.901 4.537 1.00 32.43 N ATOM 1021 CA THR A 62 7.179 -10.410 5.911 1.00 2.23 C ATOM 1022 C THR A 62 7.144 -9.225 6.909 1.00 11.44 C ATOM 1023 O THR A 62 7.231 -8.061 6.484 1.00 61.15 O ATOM 1024 CB THR A 62 8.472 -11.283 6.081 1.00 75.31 C ATOM 1025 OG1 THR A 62 8.503 -11.906 7.381 1.00 13.10 O ATOM 1026 CG2 THR A 62 9.753 -10.463 5.868 1.00 11.15 C ATOM 0 H THR A 62 7.942 -9.943 4.010 1.00 32.43 H new ATOM 0 HA THR A 62 6.330 -11.059 6.125 1.00 2.23 H new ATOM 0 HB THR A 62 8.435 -12.055 5.313 1.00 75.31 H new ATOM 0 HG1 THR A 62 9.316 -12.447 7.465 1.00 13.10 H new ATOM 0 HG21 THR A 62 10.623 -11.107 5.995 1.00 11.15 H new ATOM 0 HG22 THR A 62 9.755 -10.046 4.861 1.00 11.15 H new ATOM 0 HG23 THR A 62 9.792 -9.653 6.596 1.00 11.15 H new ATOM 1034 N GLU A 63 7.029 -9.547 8.220 1.00 21.12 N ATOM 1035 CA GLU A 63 6.810 -8.565 9.314 1.00 31.33 C ATOM 1036 C GLU A 63 7.687 -7.305 9.183 1.00 33.14 C ATOM 1037 O GLU A 63 7.179 -6.169 9.150 1.00 54.32 O ATOM 1038 CB GLU A 63 7.104 -9.215 10.689 1.00 12.21 C ATOM 1039 CG GLU A 63 6.241 -10.435 11.047 1.00 62.21 C ATOM 1040 CD GLU A 63 6.350 -10.836 12.524 1.00 75.43 C ATOM 1041 OE1 GLU A 63 6.575 -12.022 12.834 1.00 21.34 O ATOM 1042 OE2 GLU A 63 6.216 -9.950 13.396 1.00 51.13 O ATOM 0 H GLU A 63 7.086 -10.509 8.554 1.00 21.12 H new ATOM 0 HA GLU A 63 5.766 -8.263 9.237 1.00 31.33 H new ATOM 0 HB2 GLU A 63 8.152 -9.515 10.712 1.00 12.21 H new ATOM 0 HB3 GLU A 63 6.972 -8.459 11.463 1.00 12.21 H new ATOM 0 HG2 GLU A 63 5.199 -10.217 10.812 1.00 62.21 H new ATOM 0 HG3 GLU A 63 6.539 -11.279 10.425 1.00 62.21 H new ATOM 1049 N GLU A 64 9.003 -7.561 9.065 1.00 60.21 N ATOM 1050 CA GLU A 64 10.044 -6.530 9.054 1.00 33.41 C ATOM 1051 C GLU A 64 9.873 -5.576 7.860 1.00 64.45 C ATOM 1052 O GLU A 64 9.989 -4.380 8.026 1.00 64.24 O ATOM 1053 CB GLU A 64 11.455 -7.200 9.060 1.00 71.53 C ATOM 1054 CG GLU A 64 11.766 -8.090 7.836 1.00 0.54 C ATOM 1055 CD GLU A 64 12.942 -9.062 8.044 1.00 10.52 C ATOM 1056 OE1 GLU A 64 12.703 -10.254 8.346 1.00 50.33 O ATOM 1057 OE2 GLU A 64 14.109 -8.648 7.900 1.00 51.11 O ATOM 0 H GLU A 64 9.373 -8.507 8.973 1.00 60.21 H new ATOM 0 HA GLU A 64 9.948 -5.926 9.956 1.00 33.41 H new ATOM 0 HB2 GLU A 64 12.211 -6.417 9.121 1.00 71.53 H new ATOM 0 HB3 GLU A 64 11.549 -7.805 9.962 1.00 71.53 H new ATOM 0 HG2 GLU A 64 10.875 -8.665 7.583 1.00 0.54 H new ATOM 0 HG3 GLU A 64 11.985 -7.450 6.982 1.00 0.54 H new ATOM 1064 N VAL A 65 9.537 -6.130 6.679 1.00 21.24 N ATOM 1065 CA VAL A 65 9.368 -5.353 5.439 1.00 61.43 C ATOM 1066 C VAL A 65 8.160 -4.395 5.562 1.00 12.11 C ATOM 1067 O VAL A 65 8.298 -3.184 5.323 1.00 4.43 O ATOM 1068 CB VAL A 65 9.207 -6.315 4.194 1.00 4.31 C ATOM 1069 CG1 VAL A 65 8.927 -5.533 2.889 1.00 1.52 C ATOM 1070 CG2 VAL A 65 10.458 -7.215 4.031 1.00 43.32 C ATOM 0 H VAL A 65 9.375 -7.130 6.559 1.00 21.24 H new ATOM 0 HA VAL A 65 10.263 -4.751 5.283 1.00 61.43 H new ATOM 0 HB VAL A 65 8.341 -6.949 4.386 1.00 4.31 H new ATOM 0 HG11 VAL A 65 8.824 -6.233 2.060 1.00 1.52 H new ATOM 0 HG12 VAL A 65 8.005 -4.961 2.998 1.00 1.52 H new ATOM 0 HG13 VAL A 65 9.754 -4.853 2.688 1.00 1.52 H new ATOM 0 HG21 VAL A 65 10.326 -7.869 3.169 1.00 43.32 H new ATOM 0 HG22 VAL A 65 11.339 -6.590 3.881 1.00 43.32 H new ATOM 0 HG23 VAL A 65 10.590 -7.820 4.928 1.00 43.32 H new ATOM 1080 N VAL A 66 7.002 -4.948 6.010 1.00 63.43 N ATOM 1081 CA VAL A 66 5.733 -4.195 6.100 1.00 13.34 C ATOM 1082 C VAL A 66 5.904 -2.955 6.992 1.00 11.24 C ATOM 1083 O VAL A 66 5.846 -1.822 6.508 1.00 1.41 O ATOM 1084 CB VAL A 66 4.533 -5.061 6.663 1.00 24.14 C ATOM 1085 CG1 VAL A 66 3.207 -4.254 6.628 1.00 33.34 C ATOM 1086 CG2 VAL A 66 4.383 -6.396 5.905 1.00 61.10 C ATOM 0 H VAL A 66 6.927 -5.918 6.315 1.00 63.43 H new ATOM 0 HA VAL A 66 5.486 -3.904 5.079 1.00 13.34 H new ATOM 0 HB VAL A 66 4.764 -5.301 7.701 1.00 24.14 H new ATOM 0 HG11 VAL A 66 2.396 -4.869 7.019 1.00 33.34 H new ATOM 0 HG12 VAL A 66 3.310 -3.358 7.239 1.00 33.34 H new ATOM 0 HG13 VAL A 66 2.982 -3.968 5.600 1.00 33.34 H new ATOM 0 HG21 VAL A 66 3.549 -6.960 6.322 1.00 61.10 H new ATOM 0 HG22 VAL A 66 4.194 -6.196 4.850 1.00 61.10 H new ATOM 0 HG23 VAL A 66 5.300 -6.977 6.006 1.00 61.10 H new ATOM 1096 N ARG A 67 6.188 -3.203 8.284 1.00 14.01 N ATOM 1097 CA ARG A 67 6.174 -2.147 9.317 1.00 3.33 C ATOM 1098 C ARG A 67 7.322 -1.141 9.143 1.00 64.42 C ATOM 1099 O ARG A 67 7.180 -0.002 9.562 1.00 43.22 O ATOM 1100 CB ARG A 67 6.196 -2.764 10.732 1.00 24.44 C ATOM 1101 CG ARG A 67 7.465 -3.570 11.082 1.00 73.33 C ATOM 1102 CD ARG A 67 7.278 -4.438 12.336 1.00 64.24 C ATOM 1103 NE ARG A 67 6.092 -5.313 12.199 1.00 73.43 N ATOM 1104 CZ ARG A 67 5.943 -6.520 12.744 1.00 20.10 C ATOM 1105 NH1 ARG A 67 6.891 -7.069 13.500 1.00 70.45 N ATOM 1106 NH2 ARG A 67 4.844 -7.200 12.491 1.00 13.20 N ATOM 0 H ARG A 67 6.431 -4.128 8.640 1.00 14.01 H new ATOM 0 HA ARG A 67 5.244 -1.593 9.191 1.00 3.33 H new ATOM 0 HB2 ARG A 67 6.082 -1.962 11.462 1.00 24.44 H new ATOM 0 HB3 ARG A 67 5.330 -3.417 10.839 1.00 24.44 H new ATOM 0 HG2 ARG A 67 7.732 -4.207 10.239 1.00 73.33 H new ATOM 0 HG3 ARG A 67 8.297 -2.883 11.239 1.00 73.33 H new ATOM 0 HD2 ARG A 67 8.168 -5.047 12.498 1.00 64.24 H new ATOM 0 HD3 ARG A 67 7.165 -3.799 13.212 1.00 64.24 H new ATOM 0 HE ARG A 67 5.318 -4.960 11.636 1.00 73.43 H new ATOM 0 HH11 ARG A 67 7.760 -6.564 13.675 1.00 70.45 H new ATOM 0 HH12 ARG A 67 6.749 -7.995 13.904 1.00 70.45 H new ATOM 0 HH21 ARG A 67 4.125 -6.801 11.887 1.00 13.20 H new ATOM 0 HH22 ARG A 67 4.712 -8.125 12.899 1.00 13.20 H new ATOM 1120 N ASP A 68 8.439 -1.573 8.520 1.00 15.34 N ATOM 1121 CA ASP A 68 9.614 -0.707 8.272 1.00 60.40 C ATOM 1122 C ASP A 68 9.310 0.336 7.186 1.00 65.31 C ATOM 1123 O ASP A 68 9.757 1.480 7.285 1.00 53.22 O ATOM 1124 CB ASP A 68 10.842 -1.572 7.893 1.00 51.43 C ATOM 1125 CG ASP A 68 12.101 -0.791 7.497 1.00 52.25 C ATOM 1126 OD1 ASP A 68 12.701 -1.107 6.449 1.00 50.15 O ATOM 1127 OD2 ASP A 68 12.529 0.109 8.253 1.00 4.24 O ATOM 0 H ASP A 68 8.553 -2.526 8.176 1.00 15.34 H new ATOM 0 HA ASP A 68 9.846 -0.164 9.188 1.00 60.40 H new ATOM 0 HB2 ASP A 68 11.086 -2.216 8.738 1.00 51.43 H new ATOM 0 HB3 ASP A 68 10.564 -2.224 7.065 1.00 51.43 H new ATOM 1132 N ILE A 69 8.549 -0.067 6.151 1.00 72.32 N ATOM 1133 CA ILE A 69 8.123 0.857 5.075 1.00 12.42 C ATOM 1134 C ILE A 69 6.978 1.782 5.553 1.00 73.42 C ATOM 1135 O ILE A 69 6.982 2.990 5.253 1.00 22.31 O ATOM 1136 CB ILE A 69 7.672 0.080 3.796 1.00 42.21 C ATOM 1137 CG1 ILE A 69 8.831 -0.814 3.263 1.00 2.42 C ATOM 1138 CG2 ILE A 69 7.177 1.057 2.702 1.00 72.32 C ATOM 1139 CD1 ILE A 69 8.429 -1.750 2.146 1.00 75.55 C ATOM 0 H ILE A 69 8.215 -1.024 6.034 1.00 72.32 H new ATOM 0 HA ILE A 69 8.989 1.469 4.821 1.00 12.42 H new ATOM 0 HB ILE A 69 6.838 -0.568 4.066 1.00 42.21 H new ATOM 0 HG12 ILE A 69 9.638 -0.171 2.911 1.00 2.42 H new ATOM 0 HG13 ILE A 69 9.230 -1.403 4.089 1.00 2.42 H new ATOM 0 HG21 ILE A 69 6.869 0.492 1.822 1.00 72.32 H new ATOM 0 HG22 ILE A 69 6.330 1.629 3.081 1.00 72.32 H new ATOM 0 HG23 ILE A 69 7.983 1.739 2.431 1.00 72.32 H new ATOM 0 HD11 ILE A 69 9.293 -2.336 1.833 1.00 75.55 H new ATOM 0 HD12 ILE A 69 7.645 -2.420 2.498 1.00 75.55 H new ATOM 0 HD13 ILE A 69 8.059 -1.170 1.301 1.00 75.55 H new ATOM 1151 N VAL A 70 6.007 1.205 6.293 1.00 51.41 N ATOM 1152 CA VAL A 70 4.871 1.961 6.861 1.00 32.44 C ATOM 1153 C VAL A 70 5.404 3.078 7.781 1.00 32.10 C ATOM 1154 O VAL A 70 5.065 4.251 7.591 1.00 74.01 O ATOM 1155 CB VAL A 70 3.860 1.014 7.630 1.00 74.22 C ATOM 1156 CG1 VAL A 70 2.757 1.819 8.370 1.00 21.42 C ATOM 1157 CG2 VAL A 70 3.219 -0.010 6.657 1.00 63.43 C ATOM 0 H VAL A 70 5.988 0.209 6.512 1.00 51.41 H new ATOM 0 HA VAL A 70 4.312 2.413 6.042 1.00 32.44 H new ATOM 0 HB VAL A 70 4.434 0.474 8.383 1.00 74.22 H new ATOM 0 HG11 VAL A 70 2.086 1.130 8.883 1.00 21.42 H new ATOM 0 HG12 VAL A 70 3.219 2.485 9.098 1.00 21.42 H new ATOM 0 HG13 VAL A 70 2.190 2.407 7.649 1.00 21.42 H new ATOM 0 HG21 VAL A 70 2.528 -0.650 7.206 1.00 63.43 H new ATOM 0 HG22 VAL A 70 2.677 0.521 5.874 1.00 63.43 H new ATOM 0 HG23 VAL A 70 4.000 -0.622 6.206 1.00 63.43 H new ATOM 1167 N GLU A 71 6.307 2.703 8.717 1.00 40.52 N ATOM 1168 CA GLU A 71 6.905 3.654 9.674 1.00 23.24 C ATOM 1169 C GLU A 71 7.831 4.650 8.948 1.00 15.42 C ATOM 1170 O GLU A 71 7.935 5.799 9.374 1.00 31.15 O ATOM 1171 CB GLU A 71 7.679 2.931 10.818 1.00 14.43 C ATOM 1172 CG GLU A 71 9.049 2.334 10.427 1.00 43.51 C ATOM 1173 CD GLU A 71 9.769 1.638 11.593 1.00 34.23 C ATOM 1174 OE1 GLU A 71 9.570 0.422 11.794 1.00 51.24 O ATOM 1175 OE2 GLU A 71 10.533 2.314 12.322 1.00 61.31 O ATOM 0 H GLU A 71 6.636 1.744 8.827 1.00 40.52 H new ATOM 0 HA GLU A 71 6.083 4.203 10.132 1.00 23.24 H new ATOM 0 HB2 GLU A 71 7.831 3.639 11.633 1.00 14.43 H new ATOM 0 HB3 GLU A 71 7.051 2.129 11.206 1.00 14.43 H new ATOM 0 HG2 GLU A 71 8.907 1.617 9.618 1.00 43.51 H new ATOM 0 HG3 GLU A 71 9.686 3.129 10.040 1.00 43.51 H new ATOM 1182 N TYR A 72 8.503 4.186 7.857 1.00 45.34 N ATOM 1183 CA TYR A 72 9.404 5.030 7.037 1.00 60.31 C ATOM 1184 C TYR A 72 8.649 6.263 6.542 1.00 44.52 C ATOM 1185 O TYR A 72 9.024 7.394 6.860 1.00 15.24 O ATOM 1186 CB TYR A 72 9.993 4.228 5.832 1.00 73.12 C ATOM 1187 CG TYR A 72 10.801 5.060 4.814 1.00 33.34 C ATOM 1188 CD1 TYR A 72 12.103 5.490 5.094 1.00 41.40 C ATOM 1189 CD2 TYR A 72 10.263 5.419 3.567 1.00 50.00 C ATOM 1190 CE1 TYR A 72 12.823 6.252 4.187 1.00 64.22 C ATOM 1191 CE2 TYR A 72 10.985 6.175 2.663 1.00 50.13 C ATOM 1192 CZ TYR A 72 12.261 6.589 2.974 1.00 1.44 C ATOM 1193 OH TYR A 72 12.974 7.353 2.067 1.00 52.42 O ATOM 0 H TYR A 72 8.433 3.223 7.528 1.00 45.34 H new ATOM 0 HA TYR A 72 10.239 5.348 7.661 1.00 60.31 H new ATOM 0 HB2 TYR A 72 10.636 3.439 6.222 1.00 73.12 H new ATOM 0 HB3 TYR A 72 9.172 3.740 5.307 1.00 73.12 H new ATOM 0 HD1 TYR A 72 12.557 5.222 6.037 1.00 41.40 H new ATOM 0 HD2 TYR A 72 9.265 5.098 3.309 1.00 50.00 H new ATOM 0 HE1 TYR A 72 13.822 6.581 4.430 1.00 64.22 H new ATOM 0 HE2 TYR A 72 10.548 6.441 1.712 1.00 50.13 H new ATOM 0 HH TYR A 72 12.891 6.961 1.173 1.00 52.42 H new ATOM 1203 N ALA A 73 7.542 6.006 5.825 1.00 64.42 N ATOM 1204 CA ALA A 73 6.714 7.048 5.212 1.00 1.33 C ATOM 1205 C ALA A 73 6.114 7.986 6.278 1.00 62.03 C ATOM 1206 O ALA A 73 6.016 9.194 6.061 1.00 34.01 O ATOM 1207 CB ALA A 73 5.616 6.406 4.360 1.00 22.41 C ATOM 0 H ALA A 73 7.198 5.061 5.656 1.00 64.42 H new ATOM 0 HA ALA A 73 7.346 7.657 4.566 1.00 1.33 H new ATOM 0 HB1 ALA A 73 5.004 7.186 3.907 1.00 22.41 H new ATOM 0 HB2 ALA A 73 6.071 5.801 3.576 1.00 22.41 H new ATOM 0 HB3 ALA A 73 4.990 5.773 4.989 1.00 22.41 H new ATOM 1213 N GLN A 74 5.748 7.413 7.442 1.00 60.12 N ATOM 1214 CA GLN A 74 5.231 8.178 8.595 1.00 44.35 C ATOM 1215 C GLN A 74 6.295 9.141 9.161 1.00 73.14 C ATOM 1216 O GLN A 74 5.983 10.290 9.476 1.00 23.02 O ATOM 1217 CB GLN A 74 4.730 7.216 9.700 1.00 64.55 C ATOM 1218 CG GLN A 74 3.507 6.387 9.288 1.00 21.10 C ATOM 1219 CD GLN A 74 3.010 5.466 10.390 1.00 72.43 C ATOM 1220 OE1 GLN A 74 3.457 4.327 10.522 1.00 63.22 O ATOM 1221 NE2 GLN A 74 2.080 5.946 11.189 1.00 31.34 N ATOM 0 H GLN A 74 5.802 6.408 7.609 1.00 60.12 H new ATOM 0 HA GLN A 74 4.393 8.780 8.244 1.00 44.35 H new ATOM 0 HB2 GLN A 74 5.540 6.540 9.976 1.00 64.55 H new ATOM 0 HB3 GLN A 74 4.482 7.796 10.589 1.00 64.55 H new ATOM 0 HG2 GLN A 74 2.701 7.060 8.995 1.00 21.10 H new ATOM 0 HG3 GLN A 74 3.759 5.791 8.411 1.00 21.10 H new ATOM 0 HE21 GLN A 74 1.731 6.895 11.053 1.00 31.34 H new ATOM 0 HE22 GLN A 74 1.709 5.369 11.944 1.00 31.34 H new ATOM 1230 N LYS A 75 7.550 8.670 9.257 1.00 75.41 N ATOM 1231 CA LYS A 75 8.684 9.476 9.766 1.00 11.43 C ATOM 1232 C LYS A 75 9.131 10.521 8.729 1.00 62.32 C ATOM 1233 O LYS A 75 9.767 11.521 9.086 1.00 42.32 O ATOM 1234 CB LYS A 75 9.861 8.557 10.188 1.00 14.51 C ATOM 1235 CG LYS A 75 9.560 7.686 11.434 1.00 74.13 C ATOM 1236 CD LYS A 75 10.699 6.689 11.767 1.00 3.35 C ATOM 1237 CE LYS A 75 10.926 5.652 10.653 1.00 60.02 C ATOM 1238 NZ LYS A 75 11.935 4.632 11.029 1.00 75.22 N ATOM 0 H LYS A 75 7.811 7.722 8.986 1.00 75.41 H new ATOM 0 HA LYS A 75 8.348 10.018 10.650 1.00 11.43 H new ATOM 0 HB2 LYS A 75 10.117 7.904 9.353 1.00 14.51 H new ATOM 0 HB3 LYS A 75 10.737 9.174 10.391 1.00 14.51 H new ATOM 0 HG2 LYS A 75 9.391 8.336 12.293 1.00 74.13 H new ATOM 0 HG3 LYS A 75 8.636 7.131 11.268 1.00 74.13 H new ATOM 0 HD2 LYS A 75 11.623 7.242 11.936 1.00 3.35 H new ATOM 0 HD3 LYS A 75 10.463 6.171 12.697 1.00 3.35 H new ATOM 0 HE2 LYS A 75 9.982 5.158 10.422 1.00 60.02 H new ATOM 0 HE3 LYS A 75 11.249 6.162 9.746 1.00 60.02 H new ATOM 0 HZ1 LYS A 75 12.447 4.320 10.179 1.00 75.22 H new ATOM 0 HZ2 LYS A 75 12.608 5.043 11.707 1.00 75.22 H new ATOM 0 HZ3 LYS A 75 11.459 3.817 11.465 1.00 75.22 H new ATOM 1252 N GLU A 76 8.790 10.279 7.448 1.00 52.51 N ATOM 1253 CA GLU A 76 8.955 11.274 6.374 1.00 0.42 C ATOM 1254 C GLU A 76 7.846 12.346 6.468 1.00 2.21 C ATOM 1255 O GLU A 76 8.031 13.480 6.027 1.00 13.42 O ATOM 1256 CB GLU A 76 8.920 10.582 4.981 1.00 43.12 C ATOM 1257 CG GLU A 76 10.015 9.520 4.754 1.00 32.40 C ATOM 1258 CD GLU A 76 11.447 10.046 4.982 1.00 13.24 C ATOM 1259 OE1 GLU A 76 12.086 9.673 5.991 1.00 74.53 O ATOM 1260 OE2 GLU A 76 11.928 10.839 4.149 1.00 43.13 O ATOM 0 H GLU A 76 8.395 9.393 7.132 1.00 52.51 H new ATOM 0 HA GLU A 76 9.924 11.759 6.494 1.00 0.42 H new ATOM 0 HB2 GLU A 76 7.946 10.111 4.850 1.00 43.12 H new ATOM 0 HB3 GLU A 76 9.011 11.347 4.210 1.00 43.12 H new ATOM 0 HG2 GLU A 76 9.836 8.678 5.423 1.00 32.40 H new ATOM 0 HG3 GLU A 76 9.935 9.141 3.735 1.00 32.40 H new ATOM 1267 N GLY A 77 6.701 11.974 7.072 1.00 1.52 N ATOM 1268 CA GLY A 77 5.565 12.887 7.258 1.00 2.34 C ATOM 1269 C GLY A 77 4.510 12.726 6.175 1.00 52.25 C ATOM 1270 O GLY A 77 3.908 13.706 5.735 1.00 44.00 O ATOM 0 H GLY A 77 6.541 11.037 7.442 1.00 1.52 H new ATOM 0 HA2 GLY A 77 5.112 12.706 8.233 1.00 2.34 H new ATOM 0 HA3 GLY A 77 5.925 13.916 7.261 1.00 2.34 H new ATOM 1274 N LEU A 78 4.270 11.468 5.764 1.00 71.42 N ATOM 1275 CA LEU A 78 3.350 11.112 4.659 1.00 61.54 C ATOM 1276 C LEU A 78 2.174 10.278 5.196 1.00 21.21 C ATOM 1277 O LEU A 78 2.333 9.516 6.161 1.00 32.30 O ATOM 1278 CB LEU A 78 4.132 10.316 3.571 1.00 53.20 C ATOM 1279 CG LEU A 78 5.332 11.072 2.918 1.00 44.10 C ATOM 1280 CD1 LEU A 78 6.152 10.150 1.994 1.00 62.22 C ATOM 1281 CD2 LEU A 78 4.846 12.331 2.168 1.00 31.55 C ATOM 0 H LEU A 78 4.714 10.656 6.193 1.00 71.42 H new ATOM 0 HA LEU A 78 2.948 12.022 4.214 1.00 61.54 H new ATOM 0 HB2 LEU A 78 4.505 9.395 4.018 1.00 53.20 H new ATOM 0 HB3 LEU A 78 3.435 10.029 2.784 1.00 53.20 H new ATOM 0 HG LEU A 78 5.996 11.393 3.721 1.00 44.10 H new ATOM 0 HD11 LEU A 78 6.978 10.713 1.559 1.00 62.22 H new ATOM 0 HD12 LEU A 78 6.547 9.314 2.571 1.00 62.22 H new ATOM 0 HD13 LEU A 78 5.512 9.770 1.198 1.00 62.22 H new ATOM 0 HD21 LEU A 78 5.700 12.841 1.722 1.00 31.55 H new ATOM 0 HD22 LEU A 78 4.147 12.040 1.384 1.00 31.55 H new ATOM 0 HD23 LEU A 78 4.348 13.002 2.868 1.00 31.55 H new ATOM 1293 N ARG A 79 0.996 10.446 4.571 1.00 54.30 N ATOM 1294 CA ARG A 79 -0.227 9.692 4.903 1.00 24.54 C ATOM 1295 C ARG A 79 -0.093 8.256 4.365 1.00 43.51 C ATOM 1296 O ARG A 79 0.184 8.070 3.175 1.00 11.54 O ATOM 1297 CB ARG A 79 -1.462 10.393 4.268 1.00 1.01 C ATOM 1298 CG ARG A 79 -2.839 9.830 4.698 1.00 53.45 C ATOM 1299 CD ARG A 79 -4.014 10.375 3.854 1.00 12.53 C ATOM 1300 NE ARG A 79 -4.086 11.853 3.839 1.00 73.33 N ATOM 1301 CZ ARG A 79 -5.152 12.576 3.437 1.00 30.44 C ATOM 1302 NH1 ARG A 79 -6.273 11.982 3.021 1.00 50.53 N ATOM 1303 NH2 ARG A 79 -5.073 13.899 3.423 1.00 33.35 N ATOM 0 H ARG A 79 0.864 11.116 3.813 1.00 54.30 H new ATOM 0 HA ARG A 79 -0.362 9.660 5.984 1.00 24.54 H new ATOM 0 HB2 ARG A 79 -1.427 11.453 4.521 1.00 1.01 H new ATOM 0 HB3 ARG A 79 -1.382 10.321 3.183 1.00 1.01 H new ATOM 0 HG2 ARG A 79 -2.819 8.743 4.621 1.00 53.45 H new ATOM 0 HG3 ARG A 79 -3.011 10.072 5.747 1.00 53.45 H new ATOM 0 HD2 ARG A 79 -3.917 10.012 2.831 1.00 12.53 H new ATOM 0 HD3 ARG A 79 -4.950 9.976 4.246 1.00 12.53 H new ATOM 0 HE ARG A 79 -3.264 12.366 4.158 1.00 73.33 H new ATOM 0 HH11 ARG A 79 -6.334 10.964 3.003 1.00 50.53 H new ATOM 0 HH12 ARG A 79 -7.068 12.546 2.721 1.00 50.53 H new ATOM 0 HH21 ARG A 79 -4.212 14.362 3.714 1.00 33.35 H new ATOM 0 HH22 ARG A 79 -5.873 14.455 3.121 1.00 33.35 H new ATOM 1317 N VAL A 80 -0.265 7.250 5.241 1.00 21.25 N ATOM 1318 CA VAL A 80 -0.104 5.825 4.871 1.00 54.42 C ATOM 1319 C VAL A 80 -1.467 5.097 4.914 1.00 53.03 C ATOM 1320 O VAL A 80 -2.179 5.147 5.924 1.00 20.21 O ATOM 1321 CB VAL A 80 0.941 5.093 5.800 1.00 73.30 C ATOM 1322 CG1 VAL A 80 1.203 3.646 5.313 1.00 73.43 C ATOM 1323 CG2 VAL A 80 2.262 5.893 5.884 1.00 35.24 C ATOM 0 H VAL A 80 -0.517 7.396 6.218 1.00 21.25 H new ATOM 0 HA VAL A 80 0.282 5.793 3.852 1.00 54.42 H new ATOM 0 HB VAL A 80 0.515 5.038 6.802 1.00 73.30 H new ATOM 0 HG11 VAL A 80 1.927 3.166 5.972 1.00 73.43 H new ATOM 0 HG12 VAL A 80 0.270 3.083 5.327 1.00 73.43 H new ATOM 0 HG13 VAL A 80 1.597 3.670 4.297 1.00 73.43 H new ATOM 0 HG21 VAL A 80 2.965 5.367 6.530 1.00 35.24 H new ATOM 0 HG22 VAL A 80 2.691 5.993 4.887 1.00 35.24 H new ATOM 0 HG23 VAL A 80 2.062 6.883 6.294 1.00 35.24 H new ATOM 1333 N LEU A 81 -1.831 4.472 3.778 1.00 5.21 N ATOM 1334 CA LEU A 81 -3.051 3.652 3.622 1.00 61.35 C ATOM 1335 C LEU A 81 -2.598 2.214 3.308 1.00 64.23 C ATOM 1336 O LEU A 81 -1.966 1.994 2.281 1.00 4.34 O ATOM 1337 CB LEU A 81 -3.944 4.171 2.441 1.00 55.44 C ATOM 1338 CG LEU A 81 -4.542 5.624 2.502 1.00 14.54 C ATOM 1339 CD1 LEU A 81 -5.412 5.845 3.740 1.00 21.12 C ATOM 1340 CD2 LEU A 81 -3.466 6.710 2.388 1.00 51.45 C ATOM 0 H LEU A 81 -1.275 4.523 2.925 1.00 5.21 H new ATOM 0 HA LEU A 81 -3.642 3.704 4.536 1.00 61.35 H new ATOM 0 HB2 LEU A 81 -3.352 4.100 1.528 1.00 55.44 H new ATOM 0 HB3 LEU A 81 -4.779 3.479 2.334 1.00 55.44 H new ATOM 0 HG LEU A 81 -5.186 5.713 1.627 1.00 14.54 H new ATOM 0 HD11 LEU A 81 -5.801 6.863 3.735 1.00 21.12 H new ATOM 0 HD12 LEU A 81 -6.243 5.140 3.731 1.00 21.12 H new ATOM 0 HD13 LEU A 81 -4.814 5.690 4.638 1.00 21.12 H new ATOM 0 HD21 LEU A 81 -3.935 7.693 2.436 1.00 51.45 H new ATOM 0 HD22 LEU A 81 -2.756 6.606 3.208 1.00 51.45 H new ATOM 0 HD23 LEU A 81 -2.941 6.604 1.438 1.00 51.45 H new ATOM 1352 N VAL A 82 -2.901 1.233 4.172 1.00 41.24 N ATOM 1353 CA VAL A 82 -2.403 -0.153 4.009 1.00 22.11 C ATOM 1354 C VAL A 82 -3.562 -1.125 3.716 1.00 15.33 C ATOM 1355 O VAL A 82 -4.471 -1.282 4.537 1.00 73.00 O ATOM 1356 CB VAL A 82 -1.613 -0.650 5.282 1.00 44.21 C ATOM 1357 CG1 VAL A 82 -1.001 -2.059 5.063 1.00 12.04 C ATOM 1358 CG2 VAL A 82 -0.526 0.366 5.708 1.00 15.45 C ATOM 0 H VAL A 82 -3.489 1.369 4.994 1.00 41.24 H new ATOM 0 HA VAL A 82 -1.717 -0.141 3.162 1.00 22.11 H new ATOM 0 HB VAL A 82 -2.334 -0.727 6.095 1.00 44.21 H new ATOM 0 HG11 VAL A 82 -0.465 -2.367 5.961 1.00 12.04 H new ATOM 0 HG12 VAL A 82 -1.797 -2.773 4.853 1.00 12.04 H new ATOM 0 HG13 VAL A 82 -0.310 -2.029 4.221 1.00 12.04 H new ATOM 0 HG21 VAL A 82 -0.002 -0.009 6.587 1.00 15.45 H new ATOM 0 HG22 VAL A 82 0.185 0.502 4.893 1.00 15.45 H new ATOM 0 HG23 VAL A 82 -0.994 1.322 5.944 1.00 15.45 H new ATOM 1368 N ILE A 83 -3.527 -1.761 2.528 1.00 34.31 N ATOM 1369 CA ILE A 83 -4.364 -2.929 2.210 1.00 2.35 C ATOM 1370 C ILE A 83 -3.499 -4.187 2.262 1.00 55.11 C ATOM 1371 O ILE A 83 -2.398 -4.231 1.709 1.00 5.13 O ATOM 1372 CB ILE A 83 -5.080 -2.833 0.807 1.00 42.21 C ATOM 1373 CG1 ILE A 83 -6.102 -1.671 0.832 1.00 11.24 C ATOM 1374 CG2 ILE A 83 -5.768 -4.171 0.406 1.00 12.45 C ATOM 1375 CD1 ILE A 83 -7.037 -1.599 -0.350 1.00 15.31 C ATOM 0 H ILE A 83 -2.916 -1.477 1.763 1.00 34.31 H new ATOM 0 HA ILE A 83 -5.159 -2.965 2.955 1.00 2.35 H new ATOM 0 HB ILE A 83 -4.322 -2.635 0.050 1.00 42.21 H new ATOM 0 HG12 ILE A 83 -6.699 -1.756 1.740 1.00 11.24 H new ATOM 0 HG13 ILE A 83 -5.554 -0.731 0.897 1.00 11.24 H new ATOM 0 HG21 ILE A 83 -6.247 -4.057 -0.566 1.00 12.45 H new ATOM 0 HG22 ILE A 83 -5.020 -4.962 0.351 1.00 12.45 H new ATOM 0 HG23 ILE A 83 -6.519 -4.432 1.152 1.00 12.45 H new ATOM 0 HD11 ILE A 83 -7.710 -0.750 -0.231 1.00 15.31 H new ATOM 0 HD12 ILE A 83 -6.458 -1.477 -1.265 1.00 15.31 H new ATOM 0 HD13 ILE A 83 -7.620 -2.518 -0.409 1.00 15.31 H new ATOM 1387 N MET A 84 -4.006 -5.195 2.947 1.00 73.50 N ATOM 1388 CA MET A 84 -3.385 -6.504 3.058 1.00 51.43 C ATOM 1389 C MET A 84 -4.440 -7.548 2.677 1.00 54.22 C ATOM 1390 O MET A 84 -5.535 -7.566 3.238 1.00 35.13 O ATOM 1391 CB MET A 84 -2.858 -6.686 4.505 1.00 35.20 C ATOM 1392 CG MET A 84 -1.596 -5.876 4.841 1.00 10.14 C ATOM 1393 SD MET A 84 -1.249 -5.817 6.615 1.00 42.25 S ATOM 1394 CE MET A 84 -2.650 -4.869 7.220 1.00 41.01 C ATOM 0 H MET A 84 -4.887 -5.125 3.457 1.00 73.50 H new ATOM 0 HA MET A 84 -2.532 -6.616 2.389 1.00 51.43 H new ATOM 0 HB2 MET A 84 -3.648 -6.406 5.202 1.00 35.20 H new ATOM 0 HB3 MET A 84 -2.648 -7.743 4.669 1.00 35.20 H new ATOM 0 HG2 MET A 84 -0.742 -6.312 4.323 1.00 10.14 H new ATOM 0 HG3 MET A 84 -1.712 -4.860 4.465 1.00 10.14 H new ATOM 0 HE1 MET A 84 -2.324 -4.214 8.028 1.00 41.01 H new ATOM 0 HE2 MET A 84 -3.060 -4.268 6.408 1.00 41.01 H new ATOM 0 HE3 MET A 84 -3.417 -5.549 7.591 1.00 41.01 H new ATOM 1404 N VAL A 85 -4.121 -8.379 1.681 1.00 74.34 N ATOM 1405 CA VAL A 85 -5.007 -9.438 1.162 1.00 54.12 C ATOM 1406 C VAL A 85 -4.267 -10.773 1.272 1.00 44.43 C ATOM 1407 O VAL A 85 -3.090 -10.850 0.903 1.00 3.43 O ATOM 1408 CB VAL A 85 -5.410 -9.165 -0.340 1.00 60.25 C ATOM 1409 CG1 VAL A 85 -6.326 -10.277 -0.902 1.00 65.11 C ATOM 1410 CG2 VAL A 85 -6.064 -7.774 -0.500 1.00 71.21 C ATOM 0 H VAL A 85 -3.223 -8.338 1.200 1.00 74.34 H new ATOM 0 HA VAL A 85 -5.926 -9.458 1.747 1.00 54.12 H new ATOM 0 HB VAL A 85 -4.491 -9.175 -0.926 1.00 60.25 H new ATOM 0 HG11 VAL A 85 -6.580 -10.051 -1.938 1.00 65.11 H new ATOM 0 HG12 VAL A 85 -5.806 -11.234 -0.857 1.00 65.11 H new ATOM 0 HG13 VAL A 85 -7.239 -10.331 -0.308 1.00 65.11 H new ATOM 0 HG21 VAL A 85 -6.330 -7.615 -1.545 1.00 71.21 H new ATOM 0 HG22 VAL A 85 -6.962 -7.721 0.115 1.00 71.21 H new ATOM 0 HG23 VAL A 85 -5.361 -7.003 -0.184 1.00 71.21 H new ATOM 1420 N ASP A 86 -4.942 -11.819 1.773 1.00 12.34 N ATOM 1421 CA ASP A 86 -4.288 -13.122 2.018 1.00 42.42 C ATOM 1422 C ASP A 86 -5.329 -14.247 2.122 1.00 53.24 C ATOM 1423 O ASP A 86 -6.515 -13.996 2.355 1.00 32.43 O ATOM 1424 CB ASP A 86 -3.440 -13.045 3.332 1.00 35.25 C ATOM 1425 CG ASP A 86 -2.198 -13.948 3.359 1.00 52.21 C ATOM 1426 OD1 ASP A 86 -1.063 -13.427 3.452 1.00 2.42 O ATOM 1427 OD2 ASP A 86 -2.347 -15.183 3.284 1.00 42.41 O ATOM 0 H ASP A 86 -5.932 -11.793 2.016 1.00 12.34 H new ATOM 0 HA ASP A 86 -3.632 -13.347 1.177 1.00 42.42 H new ATOM 0 HB2 ASP A 86 -3.123 -12.013 3.482 1.00 35.25 H new ATOM 0 HB3 ASP A 86 -4.079 -13.308 4.175 1.00 35.25 H new ATOM 1432 N GLN A 87 -4.843 -15.478 1.935 1.00 24.20 N ATOM 1433 CA GLN A 87 -5.621 -16.719 2.104 1.00 13.52 C ATOM 1434 C GLN A 87 -5.696 -17.066 3.608 1.00 22.31 C ATOM 1435 O GLN A 87 -6.740 -17.488 4.124 1.00 60.34 O ATOM 1436 CB GLN A 87 -4.921 -17.866 1.317 1.00 62.14 C ATOM 1437 CG GLN A 87 -4.521 -17.486 -0.132 1.00 74.34 C ATOM 1438 CD GLN A 87 -3.694 -18.567 -0.844 1.00 5.14 C ATOM 1439 OE1 GLN A 87 -3.871 -19.759 -0.613 1.00 42.41 O ATOM 1440 NE2 GLN A 87 -2.778 -18.160 -1.718 1.00 62.41 N ATOM 0 H GLN A 87 -3.877 -15.648 1.656 1.00 24.20 H new ATOM 0 HA GLN A 87 -6.633 -16.589 1.719 1.00 13.52 H new ATOM 0 HB2 GLN A 87 -4.027 -18.173 1.861 1.00 62.14 H new ATOM 0 HB3 GLN A 87 -5.586 -18.729 1.285 1.00 62.14 H new ATOM 0 HG2 GLN A 87 -5.424 -17.291 -0.710 1.00 74.34 H new ATOM 0 HG3 GLN A 87 -3.950 -16.558 -0.111 1.00 74.34 H new ATOM 0 HE21 GLN A 87 -2.648 -17.164 -1.894 1.00 62.41 H new ATOM 0 HE22 GLN A 87 -2.205 -18.844 -2.212 1.00 62.41 H new ATOM 1449 N ASP A 88 -4.551 -16.875 4.277 1.00 20.42 N ATOM 1450 CA ASP A 88 -4.362 -17.102 5.716 1.00 45.22 C ATOM 1451 C ASP A 88 -4.273 -15.749 6.442 1.00 73.31 C ATOM 1452 O ASP A 88 -3.186 -15.153 6.539 1.00 23.21 O ATOM 1453 CB ASP A 88 -3.060 -17.909 5.957 1.00 51.14 C ATOM 1454 CG ASP A 88 -3.033 -19.252 5.216 1.00 32.43 C ATOM 1455 OD1 ASP A 88 -2.358 -19.357 4.166 1.00 44.31 O ATOM 1456 OD2 ASP A 88 -3.681 -20.214 5.681 1.00 53.44 O ATOM 0 H ASP A 88 -3.702 -16.547 3.816 1.00 20.42 H new ATOM 0 HA ASP A 88 -5.209 -17.668 6.104 1.00 45.22 H new ATOM 0 HB2 ASP A 88 -2.206 -17.310 5.641 1.00 51.14 H new ATOM 0 HB3 ASP A 88 -2.945 -18.089 7.026 1.00 51.14 H new ATOM 1461 N GLN A 89 -5.414 -15.240 6.930 1.00 61.14 N ATOM 1462 CA GLN A 89 -5.474 -13.908 7.559 1.00 44.51 C ATOM 1463 C GLN A 89 -5.209 -13.934 9.075 1.00 60.32 C ATOM 1464 O GLN A 89 -5.387 -12.913 9.732 1.00 31.42 O ATOM 1465 CB GLN A 89 -6.814 -13.189 7.267 1.00 31.42 C ATOM 1466 CG GLN A 89 -7.110 -12.951 5.768 1.00 52.51 C ATOM 1467 CD GLN A 89 -8.063 -11.778 5.541 1.00 72.15 C ATOM 1468 OE1 GLN A 89 -7.642 -10.648 5.321 1.00 13.03 O ATOM 1469 NE2 GLN A 89 -9.354 -12.019 5.633 1.00 70.13 N ATOM 0 H GLN A 89 -6.309 -15.729 6.902 1.00 61.14 H new ATOM 0 HA GLN A 89 -4.664 -13.342 7.100 1.00 44.51 H new ATOM 0 HB2 GLN A 89 -7.626 -13.777 7.694 1.00 31.42 H new ATOM 0 HB3 GLN A 89 -6.813 -12.227 7.780 1.00 31.42 H new ATOM 0 HG2 GLN A 89 -6.175 -12.763 5.241 1.00 52.51 H new ATOM 0 HG3 GLN A 89 -7.542 -13.855 5.338 1.00 52.51 H new ATOM 0 HE21 GLN A 89 -9.684 -12.966 5.817 1.00 70.13 H new ATOM 0 HE22 GLN A 89 -10.024 -11.258 5.521 1.00 70.13 H new ATOM 1478 N GLU A 90 -4.798 -15.086 9.640 1.00 1.10 N ATOM 1479 CA GLU A 90 -4.355 -15.148 11.056 1.00 22.13 C ATOM 1480 C GLU A 90 -2.993 -14.437 11.198 1.00 71.34 C ATOM 1481 O GLU A 90 -2.789 -13.618 12.103 1.00 42.43 O ATOM 1482 CB GLU A 90 -4.289 -16.619 11.559 1.00 63.23 C ATOM 1483 CG GLU A 90 -5.656 -17.329 11.607 1.00 13.33 C ATOM 1484 CD GLU A 90 -5.573 -18.789 12.092 1.00 24.15 C ATOM 1485 OE1 GLU A 90 -5.152 -19.666 11.313 1.00 4.25 O ATOM 1486 OE2 GLU A 90 -5.926 -19.072 13.253 1.00 41.21 O ATOM 0 H GLU A 90 -4.762 -15.979 9.149 1.00 1.10 H new ATOM 0 HA GLU A 90 -5.084 -14.633 11.682 1.00 22.13 H new ATOM 0 HB2 GLU A 90 -3.621 -17.184 10.909 1.00 63.23 H new ATOM 0 HB3 GLU A 90 -3.850 -16.631 12.557 1.00 63.23 H new ATOM 0 HG2 GLU A 90 -6.323 -16.773 12.266 1.00 13.33 H new ATOM 0 HG3 GLU A 90 -6.102 -17.310 10.613 1.00 13.33 H new ATOM 1493 N GLU A 91 -2.095 -14.728 10.246 1.00 63.03 N ATOM 1494 CA GLU A 91 -0.778 -14.078 10.129 1.00 64.12 C ATOM 1495 C GLU A 91 -0.962 -12.604 9.722 1.00 24.23 C ATOM 1496 O GLU A 91 -0.290 -11.709 10.238 1.00 14.24 O ATOM 1497 CB GLU A 91 0.075 -14.837 9.067 1.00 15.22 C ATOM 1498 CG GLU A 91 1.459 -14.224 8.746 1.00 62.24 C ATOM 1499 CD GLU A 91 2.377 -14.104 9.977 1.00 71.55 C ATOM 1500 OE1 GLU A 91 2.730 -15.148 10.567 1.00 70.53 O ATOM 1501 OE2 GLU A 91 2.771 -12.975 10.351 1.00 43.02 O ATOM 0 H GLU A 91 -2.263 -15.430 9.526 1.00 63.03 H new ATOM 0 HA GLU A 91 -0.261 -14.110 11.088 1.00 64.12 H new ATOM 0 HB2 GLU A 91 0.224 -15.860 9.413 1.00 15.22 H new ATOM 0 HB3 GLU A 91 -0.499 -14.894 8.142 1.00 15.22 H new ATOM 0 HG2 GLU A 91 1.953 -14.837 7.992 1.00 62.24 H new ATOM 0 HG3 GLU A 91 1.318 -13.235 8.310 1.00 62.24 H new ATOM 1508 N LEU A 92 -1.919 -12.383 8.814 1.00 45.11 N ATOM 1509 CA LEU A 92 -2.206 -11.065 8.232 1.00 24.50 C ATOM 1510 C LEU A 92 -2.828 -10.114 9.290 1.00 20.31 C ATOM 1511 O LEU A 92 -2.556 -8.913 9.272 1.00 53.32 O ATOM 1512 CB LEU A 92 -3.164 -11.239 7.033 1.00 23.02 C ATOM 1513 CG LEU A 92 -3.161 -10.103 5.976 1.00 10.24 C ATOM 1514 CD1 LEU A 92 -1.875 -10.144 5.119 1.00 31.23 C ATOM 1515 CD2 LEU A 92 -4.438 -10.156 5.111 1.00 20.12 C ATOM 0 H LEU A 92 -2.524 -13.123 8.458 1.00 45.11 H new ATOM 0 HA LEU A 92 -1.273 -10.616 7.891 1.00 24.50 H new ATOM 0 HB2 LEU A 92 -2.916 -12.174 6.530 1.00 23.02 H new ATOM 0 HB3 LEU A 92 -4.178 -11.344 7.419 1.00 23.02 H new ATOM 0 HG LEU A 92 -3.164 -9.147 6.499 1.00 10.24 H new ATOM 0 HD11 LEU A 92 -1.900 -9.337 4.387 1.00 31.23 H new ATOM 0 HD12 LEU A 92 -1.004 -10.023 5.763 1.00 31.23 H new ATOM 0 HD13 LEU A 92 -1.813 -11.101 4.602 1.00 31.23 H new ATOM 0 HD21 LEU A 92 -4.414 -9.350 4.377 1.00 20.12 H new ATOM 0 HD22 LEU A 92 -4.489 -11.115 4.596 1.00 20.12 H new ATOM 0 HD23 LEU A 92 -5.314 -10.040 5.749 1.00 20.12 H new ATOM 1527 N GLU A 93 -3.664 -10.679 10.208 1.00 3.41 N ATOM 1528 CA GLU A 93 -4.327 -9.910 11.294 1.00 63.24 C ATOM 1529 C GLU A 93 -3.319 -9.581 12.412 1.00 72.44 C ATOM 1530 O GLU A 93 -3.464 -8.572 13.113 1.00 62.11 O ATOM 1531 CB GLU A 93 -5.557 -10.665 11.880 1.00 5.23 C ATOM 1532 CG GLU A 93 -6.369 -9.852 12.918 1.00 43.24 C ATOM 1533 CD GLU A 93 -7.609 -10.589 13.447 1.00 1.44 C ATOM 1534 OE1 GLU A 93 -8.679 -10.505 12.812 1.00 54.43 O ATOM 1535 OE2 GLU A 93 -7.524 -11.260 14.502 1.00 24.00 O ATOM 0 H GLU A 93 -3.894 -11.673 10.213 1.00 3.41 H new ATOM 0 HA GLU A 93 -4.693 -8.981 10.857 1.00 63.24 H new ATOM 0 HB2 GLU A 93 -6.218 -10.949 11.061 1.00 5.23 H new ATOM 0 HB3 GLU A 93 -5.213 -11.588 12.347 1.00 5.23 H new ATOM 0 HG2 GLU A 93 -5.721 -9.601 13.758 1.00 43.24 H new ATOM 0 HG3 GLU A 93 -6.682 -8.911 12.465 1.00 43.24 H new ATOM 1542 N ARG A 94 -2.299 -10.441 12.554 1.00 65.13 N ATOM 1543 CA ARG A 94 -1.186 -10.232 13.496 1.00 3.05 C ATOM 1544 C ARG A 94 -0.416 -8.937 13.124 1.00 31.45 C ATOM 1545 O ARG A 94 -0.062 -8.137 13.998 1.00 24.10 O ATOM 1546 CB ARG A 94 -0.256 -11.475 13.467 1.00 73.32 C ATOM 1547 CG ARG A 94 0.876 -11.485 14.516 1.00 52.50 C ATOM 1548 CD ARG A 94 0.368 -11.601 15.959 1.00 33.54 C ATOM 1549 NE ARG A 94 1.477 -11.656 16.933 1.00 23.03 N ATOM 1550 CZ ARG A 94 1.340 -11.880 18.254 1.00 2.01 C ATOM 1551 NH1 ARG A 94 0.143 -12.082 18.795 1.00 1.11 N ATOM 1552 NH2 ARG A 94 2.415 -11.896 19.037 1.00 30.20 N ATOM 0 H ARG A 94 -2.222 -11.305 12.017 1.00 65.13 H new ATOM 0 HA ARG A 94 -1.569 -10.110 14.509 1.00 3.05 H new ATOM 0 HB2 ARG A 94 -0.867 -12.367 13.609 1.00 73.32 H new ATOM 0 HB3 ARG A 94 0.191 -11.549 12.476 1.00 73.32 H new ATOM 0 HG2 ARG A 94 1.548 -12.318 14.307 1.00 52.50 H new ATOM 0 HG3 ARG A 94 1.461 -10.571 14.417 1.00 52.50 H new ATOM 0 HD2 ARG A 94 -0.273 -10.750 16.187 1.00 33.54 H new ATOM 0 HD3 ARG A 94 -0.245 -12.497 16.057 1.00 33.54 H new ATOM 0 HE ARG A 94 2.422 -11.513 16.577 1.00 23.03 H new ATOM 0 HH11 ARG A 94 -0.691 -12.069 18.208 1.00 1.11 H new ATOM 0 HH12 ARG A 94 0.058 -12.250 19.797 1.00 1.11 H new ATOM 0 HH21 ARG A 94 3.340 -11.739 18.637 1.00 30.20 H new ATOM 0 HH22 ARG A 94 2.314 -12.065 20.038 1.00 30.20 H new ATOM 1566 N ILE A 95 -0.200 -8.745 11.802 1.00 51.13 N ATOM 1567 CA ILE A 95 0.459 -7.540 11.248 1.00 40.44 C ATOM 1568 C ILE A 95 -0.513 -6.334 11.305 1.00 60.21 C ATOM 1569 O ILE A 95 -0.141 -5.222 11.700 1.00 35.04 O ATOM 1570 CB ILE A 95 0.922 -7.773 9.753 1.00 61.03 C ATOM 1571 CG1 ILE A 95 1.659 -9.142 9.584 1.00 64.34 C ATOM 1572 CG2 ILE A 95 1.816 -6.615 9.253 1.00 12.45 C ATOM 1573 CD1 ILE A 95 2.861 -9.339 10.485 1.00 24.53 C ATOM 0 H ILE A 95 -0.478 -9.421 11.090 1.00 51.13 H new ATOM 0 HA ILE A 95 1.342 -7.333 11.853 1.00 40.44 H new ATOM 0 HB ILE A 95 0.020 -7.798 9.141 1.00 61.03 H new ATOM 0 HG12 ILE A 95 0.947 -9.946 9.772 1.00 64.34 H new ATOM 0 HG13 ILE A 95 1.982 -9.238 8.547 1.00 64.34 H new ATOM 0 HG21 ILE A 95 2.117 -6.806 8.223 1.00 12.45 H new ATOM 0 HG22 ILE A 95 1.260 -5.679 9.301 1.00 12.45 H new ATOM 0 HG23 ILE A 95 2.703 -6.542 9.882 1.00 12.45 H new ATOM 0 HD11 ILE A 95 3.303 -10.317 10.293 1.00 24.53 H new ATOM 0 HD12 ILE A 95 3.598 -8.562 10.284 1.00 24.53 H new ATOM 0 HD13 ILE A 95 2.548 -9.281 11.527 1.00 24.53 H new ATOM 1585 N TYR A 96 -1.773 -6.609 10.919 1.00 0.00 N ATOM 1586 CA TYR A 96 -2.889 -5.636 10.889 1.00 2.20 C ATOM 1587 C TYR A 96 -3.076 -4.938 12.243 1.00 1.01 C ATOM 1588 O TYR A 96 -3.342 -3.736 12.284 1.00 42.12 O ATOM 1589 CB TYR A 96 -4.179 -6.390 10.469 1.00 62.13 C ATOM 1590 CG TYR A 96 -5.503 -5.616 10.523 1.00 23.41 C ATOM 1591 CD1 TYR A 96 -5.839 -4.679 9.548 1.00 11.53 C ATOM 1592 CD2 TYR A 96 -6.443 -5.856 11.532 1.00 43.31 C ATOM 1593 CE1 TYR A 96 -7.051 -4.017 9.579 1.00 4.21 C ATOM 1594 CE2 TYR A 96 -7.649 -5.187 11.564 1.00 53.43 C ATOM 1595 CZ TYR A 96 -7.948 -4.269 10.585 1.00 10.34 C ATOM 1596 OH TYR A 96 -9.159 -3.604 10.609 1.00 65.32 O ATOM 0 H TYR A 96 -2.054 -7.540 10.610 1.00 0.00 H new ATOM 0 HA TYR A 96 -2.661 -4.851 10.168 1.00 2.20 H new ATOM 0 HB2 TYR A 96 -4.041 -6.750 9.449 1.00 62.13 H new ATOM 0 HB3 TYR A 96 -4.277 -7.269 11.106 1.00 62.13 H new ATOM 0 HD1 TYR A 96 -5.139 -4.466 8.753 1.00 11.53 H new ATOM 0 HD2 TYR A 96 -6.219 -6.580 12.302 1.00 43.31 H new ATOM 0 HE1 TYR A 96 -7.293 -3.299 8.809 1.00 4.21 H new ATOM 0 HE2 TYR A 96 -8.356 -5.384 12.356 1.00 53.43 H new ATOM 0 HH TYR A 96 -9.678 -3.898 11.386 1.00 65.32 H new ATOM 1606 N GLU A 97 -2.920 -5.707 13.338 1.00 73.32 N ATOM 1607 CA GLU A 97 -3.085 -5.201 14.706 1.00 54.44 C ATOM 1608 C GLU A 97 -1.992 -4.184 15.058 1.00 41.33 C ATOM 1609 O GLU A 97 -2.294 -3.115 15.589 1.00 1.33 O ATOM 1610 CB GLU A 97 -3.075 -6.352 15.744 1.00 33.34 C ATOM 1611 CG GLU A 97 -3.278 -5.867 17.199 1.00 34.41 C ATOM 1612 CD GLU A 97 -3.286 -6.998 18.228 1.00 52.15 C ATOM 1613 OE1 GLU A 97 -4.329 -7.673 18.374 1.00 21.14 O ATOM 1614 OE2 GLU A 97 -2.260 -7.212 18.911 1.00 60.32 O ATOM 0 H GLU A 97 -2.676 -6.696 13.294 1.00 73.32 H new ATOM 0 HA GLU A 97 -4.055 -4.706 14.744 1.00 54.44 H new ATOM 0 HB2 GLU A 97 -3.861 -7.065 15.493 1.00 33.34 H new ATOM 0 HB3 GLU A 97 -2.127 -6.885 15.675 1.00 33.34 H new ATOM 0 HG2 GLU A 97 -2.485 -5.163 17.452 1.00 34.41 H new ATOM 0 HG3 GLU A 97 -4.220 -5.323 17.263 1.00 34.41 H new ATOM 1621 N GLN A 98 -0.721 -4.526 14.753 1.00 42.54 N ATOM 1622 CA GLN A 98 0.433 -3.691 15.152 1.00 60.43 C ATOM 1623 C GLN A 98 0.546 -2.419 14.287 1.00 3.23 C ATOM 1624 O GLN A 98 1.167 -1.437 14.704 1.00 60.44 O ATOM 1625 CB GLN A 98 1.748 -4.528 15.202 1.00 50.03 C ATOM 1626 CG GLN A 98 2.238 -5.207 13.896 1.00 21.43 C ATOM 1627 CD GLN A 98 2.948 -4.301 12.882 1.00 20.13 C ATOM 1628 OE1 GLN A 98 2.935 -4.569 11.677 1.00 33.24 O ATOM 1629 NE2 GLN A 98 3.615 -3.257 13.347 1.00 55.15 N ATOM 0 H GLN A 98 -0.469 -5.368 14.236 1.00 42.54 H new ATOM 0 HA GLN A 98 0.259 -3.339 16.169 1.00 60.43 H new ATOM 0 HB2 GLN A 98 2.545 -3.874 15.556 1.00 50.03 H new ATOM 0 HB3 GLN A 98 1.618 -5.307 15.953 1.00 50.03 H new ATOM 0 HG2 GLN A 98 2.917 -6.016 14.165 1.00 21.43 H new ATOM 0 HG3 GLN A 98 1.378 -5.662 13.404 1.00 21.43 H new ATOM 0 HE21 GLN A 98 3.612 -3.054 14.347 1.00 55.15 H new ATOM 0 HE22 GLN A 98 4.132 -2.655 12.706 1.00 55.15 H new ATOM 1638 N LEU A 99 -0.062 -2.445 13.089 1.00 61.15 N ATOM 1639 CA LEU A 99 -0.204 -1.248 12.231 1.00 21.10 C ATOM 1640 C LEU A 99 -1.383 -0.359 12.718 1.00 23.33 C ATOM 1641 O LEU A 99 -1.273 0.873 12.774 1.00 34.31 O ATOM 1642 CB LEU A 99 -0.422 -1.683 10.756 1.00 10.24 C ATOM 1643 CG LEU A 99 0.725 -2.497 10.081 1.00 62.41 C ATOM 1644 CD1 LEU A 99 0.320 -2.960 8.666 1.00 61.41 C ATOM 1645 CD2 LEU A 99 2.046 -1.697 10.056 1.00 43.10 C ATOM 0 H LEU A 99 -0.468 -3.290 12.686 1.00 61.15 H new ATOM 0 HA LEU A 99 0.711 -0.659 12.295 1.00 21.10 H new ATOM 0 HB2 LEU A 99 -1.333 -2.279 10.710 1.00 10.24 H new ATOM 0 HB3 LEU A 99 -0.597 -0.787 10.161 1.00 10.24 H new ATOM 0 HG LEU A 99 0.897 -3.388 10.684 1.00 62.41 H new ATOM 0 HD11 LEU A 99 1.139 -3.525 8.220 1.00 61.41 H new ATOM 0 HD12 LEU A 99 -0.565 -3.593 8.730 1.00 61.41 H new ATOM 0 HD13 LEU A 99 0.100 -2.090 8.047 1.00 61.41 H new ATOM 0 HD21 LEU A 99 2.824 -2.294 9.579 1.00 43.10 H new ATOM 0 HD22 LEU A 99 1.902 -0.774 9.495 1.00 43.10 H new ATOM 0 HD23 LEU A 99 2.346 -1.458 11.076 1.00 43.10 H new ATOM 1657 N LYS A 100 -2.506 -1.023 13.089 1.00 33.25 N ATOM 1658 CA LYS A 100 -3.738 -0.358 13.594 1.00 34.22 C ATOM 1659 C LYS A 100 -3.469 0.305 14.957 1.00 70.04 C ATOM 1660 O LYS A 100 -4.066 1.334 15.284 1.00 33.15 O ATOM 1661 CB LYS A 100 -4.895 -1.407 13.689 1.00 4.54 C ATOM 1662 CG LYS A 100 -6.323 -0.848 13.985 1.00 31.23 C ATOM 1663 CD LYS A 100 -6.677 -0.800 15.494 1.00 71.35 C ATOM 1664 CE LYS A 100 -8.119 -0.339 15.765 1.00 40.43 C ATOM 1665 NZ LYS A 100 -8.453 -0.396 17.217 1.00 12.05 N ATOM 0 H LYS A 100 -2.585 -2.039 13.047 1.00 33.25 H new ATOM 0 HA LYS A 100 -4.039 0.427 12.900 1.00 34.22 H new ATOM 0 HB2 LYS A 100 -4.933 -1.958 12.750 1.00 4.54 H new ATOM 0 HB3 LYS A 100 -4.641 -2.124 14.470 1.00 4.54 H new ATOM 0 HG2 LYS A 100 -6.402 0.157 13.571 1.00 31.23 H new ATOM 0 HG3 LYS A 100 -7.059 -1.465 13.468 1.00 31.23 H new ATOM 0 HD2 LYS A 100 -6.532 -1.790 15.926 1.00 71.35 H new ATOM 0 HD3 LYS A 100 -5.986 -0.127 16.001 1.00 71.35 H new ATOM 0 HE2 LYS A 100 -8.250 0.680 15.401 1.00 40.43 H new ATOM 0 HE3 LYS A 100 -8.813 -0.968 15.207 1.00 40.43 H new ATOM 0 HZ1 LYS A 100 -9.433 -0.078 17.361 1.00 12.05 H new ATOM 0 HZ2 LYS A 100 -8.353 -1.373 17.558 1.00 12.05 H new ATOM 0 HZ3 LYS A 100 -7.807 0.224 17.746 1.00 12.05 H new ATOM 1679 N LYS A 101 -2.548 -0.312 15.718 1.00 61.05 N ATOM 1680 CA LYS A 101 -2.072 0.156 17.035 1.00 14.24 C ATOM 1681 C LYS A 101 -1.674 1.647 17.015 1.00 54.54 C ATOM 1682 O LYS A 101 -1.891 2.372 17.990 1.00 12.11 O ATOM 1683 CB LYS A 101 -0.843 -0.700 17.445 1.00 43.42 C ATOM 1684 CG LYS A 101 -0.202 -0.347 18.820 1.00 52.41 C ATOM 1685 CD LYS A 101 1.338 -0.509 18.826 1.00 74.35 C ATOM 1686 CE LYS A 101 1.810 -1.932 18.479 1.00 53.32 C ATOM 1687 NZ LYS A 101 3.294 -2.001 18.361 1.00 11.14 N ATOM 0 H LYS A 101 -2.098 -1.179 15.425 1.00 61.05 H new ATOM 0 HA LYS A 101 -2.885 0.046 17.752 1.00 14.24 H new ATOM 0 HB2 LYS A 101 -1.143 -1.748 17.463 1.00 43.42 H new ATOM 0 HB3 LYS A 101 -0.080 -0.600 16.673 1.00 43.42 H new ATOM 0 HG2 LYS A 101 -0.455 0.681 19.080 1.00 52.41 H new ATOM 0 HG3 LYS A 101 -0.633 -0.986 19.591 1.00 52.41 H new ATOM 0 HD2 LYS A 101 1.771 0.192 18.113 1.00 74.35 H new ATOM 0 HD3 LYS A 101 1.719 -0.239 19.811 1.00 74.35 H new ATOM 0 HE2 LYS A 101 1.472 -2.626 19.248 1.00 53.32 H new ATOM 0 HE3 LYS A 101 1.354 -2.249 17.541 1.00 53.32 H new ATOM 0 HZ1 LYS A 101 3.579 -2.973 18.126 1.00 11.14 H new ATOM 0 HZ2 LYS A 101 3.613 -1.356 17.610 1.00 11.14 H new ATOM 0 HZ3 LYS A 101 3.727 -1.722 19.264 1.00 11.14 H new ATOM 1701 N ASP A 102 -1.080 2.077 15.892 1.00 5.34 N ATOM 1702 CA ASP A 102 -0.603 3.455 15.714 1.00 32.22 C ATOM 1703 C ASP A 102 -1.757 4.426 15.371 1.00 21.20 C ATOM 1704 O ASP A 102 -1.722 5.609 15.747 1.00 41.23 O ATOM 1705 CB ASP A 102 0.469 3.473 14.595 1.00 24.31 C ATOM 1706 CG ASP A 102 1.025 4.887 14.317 1.00 70.24 C ATOM 1707 OD1 ASP A 102 2.043 5.273 14.926 1.00 73.14 O ATOM 1708 OD2 ASP A 102 0.439 5.620 13.490 1.00 74.01 O ATOM 0 H ASP A 102 -0.917 1.479 15.082 1.00 5.34 H new ATOM 0 HA ASP A 102 -0.170 3.796 16.654 1.00 32.22 H new ATOM 0 HB2 ASP A 102 1.291 2.814 14.875 1.00 24.31 H new ATOM 0 HB3 ASP A 102 0.037 3.071 13.678 1.00 24.31 H new ATOM 1713 N GLY A 103 -2.788 3.904 14.696 1.00 34.54 N ATOM 1714 CA GLY A 103 -3.874 4.729 14.146 1.00 42.11 C ATOM 1715 C GLY A 103 -3.738 4.934 12.641 1.00 40.55 C ATOM 1716 O GLY A 103 -4.336 5.858 12.081 1.00 30.04 O ATOM 0 H GLY A 103 -2.894 2.906 14.516 1.00 34.54 H new ATOM 0 HA2 GLY A 103 -4.832 4.255 14.361 1.00 42.11 H new ATOM 0 HA3 GLY A 103 -3.879 5.699 14.644 1.00 42.11 H new ATOM 1720 N VAL A 104 -2.920 4.078 11.991 1.00 2.31 N ATOM 1721 CA VAL A 104 -2.786 4.037 10.518 1.00 71.42 C ATOM 1722 C VAL A 104 -4.082 3.467 9.910 1.00 33.11 C ATOM 1723 O VAL A 104 -4.696 2.566 10.508 1.00 12.21 O ATOM 1724 CB VAL A 104 -1.560 3.137 10.079 1.00 33.12 C ATOM 1725 CG1 VAL A 104 -1.347 3.154 8.544 1.00 45.25 C ATOM 1726 CG2 VAL A 104 -0.268 3.554 10.813 1.00 34.22 C ATOM 0 H VAL A 104 -2.334 3.396 12.472 1.00 2.31 H new ATOM 0 HA VAL A 104 -2.611 5.051 10.158 1.00 71.42 H new ATOM 0 HB VAL A 104 -1.801 2.113 10.365 1.00 33.12 H new ATOM 0 HG11 VAL A 104 -0.496 2.523 8.288 1.00 45.25 H new ATOM 0 HG12 VAL A 104 -2.241 2.776 8.048 1.00 45.25 H new ATOM 0 HG13 VAL A 104 -1.154 4.175 8.215 1.00 45.25 H new ATOM 0 HG21 VAL A 104 0.556 2.917 10.490 1.00 34.22 H new ATOM 0 HG22 VAL A 104 -0.036 4.593 10.580 1.00 34.22 H new ATOM 0 HG23 VAL A 104 -0.410 3.446 11.888 1.00 34.22 H new ATOM 1736 N ASP A 105 -4.506 3.984 8.736 1.00 35.32 N ATOM 1737 CA ASP A 105 -5.652 3.414 8.013 1.00 11.24 C ATOM 1738 C ASP A 105 -5.225 2.067 7.433 1.00 24.21 C ATOM 1739 O ASP A 105 -4.411 2.016 6.513 1.00 31.32 O ATOM 1740 CB ASP A 105 -6.148 4.334 6.877 1.00 31.52 C ATOM 1741 CG ASP A 105 -7.349 3.723 6.105 1.00 63.43 C ATOM 1742 OD1 ASP A 105 -8.479 3.749 6.635 1.00 61.12 O ATOM 1743 OD2 ASP A 105 -7.180 3.243 4.961 1.00 73.31 O ATOM 0 H ASP A 105 -4.074 4.786 8.277 1.00 35.32 H new ATOM 0 HA ASP A 105 -6.480 3.300 8.713 1.00 11.24 H new ATOM 0 HB2 ASP A 105 -6.440 5.298 7.294 1.00 31.52 H new ATOM 0 HB3 ASP A 105 -5.330 4.522 6.182 1.00 31.52 H new ATOM 1748 N VAL A 106 -5.733 0.996 8.028 1.00 62.23 N ATOM 1749 CA VAL A 106 -5.414 -0.383 7.646 1.00 43.02 C ATOM 1750 C VAL A 106 -6.706 -1.177 7.437 1.00 72.34 C ATOM 1751 O VAL A 106 -7.728 -0.909 8.087 1.00 54.35 O ATOM 1752 CB VAL A 106 -4.508 -1.070 8.735 1.00 13.33 C ATOM 1753 CG1 VAL A 106 -3.114 -0.414 8.792 1.00 54.54 C ATOM 1754 CG2 VAL A 106 -5.178 -1.030 10.124 1.00 64.41 C ATOM 0 H VAL A 106 -6.391 1.057 8.805 1.00 62.23 H new ATOM 0 HA VAL A 106 -4.856 -0.366 6.710 1.00 43.02 H new ATOM 0 HB VAL A 106 -4.384 -2.114 8.446 1.00 13.33 H new ATOM 0 HG11 VAL A 106 -2.510 -0.909 9.553 1.00 54.54 H new ATOM 0 HG12 VAL A 106 -2.626 -0.511 7.822 1.00 54.54 H new ATOM 0 HG13 VAL A 106 -3.219 0.642 9.042 1.00 54.54 H new ATOM 0 HG21 VAL A 106 -4.529 -1.512 10.855 1.00 64.41 H new ATOM 0 HG22 VAL A 106 -5.348 0.006 10.416 1.00 64.41 H new ATOM 0 HG23 VAL A 106 -6.132 -1.556 10.083 1.00 64.41 H new ATOM 1764 N ARG A 107 -6.648 -2.151 6.517 1.00 25.43 N ATOM 1765 CA ARG A 107 -7.796 -2.987 6.143 1.00 30.10 C ATOM 1766 C ARG A 107 -7.315 -4.310 5.523 1.00 20.20 C ATOM 1767 O ARG A 107 -6.375 -4.331 4.719 1.00 54.51 O ATOM 1768 CB ARG A 107 -8.722 -2.198 5.175 1.00 43.45 C ATOM 1769 CG ARG A 107 -8.000 -1.561 3.963 1.00 32.01 C ATOM 1770 CD ARG A 107 -8.928 -0.715 3.076 1.00 31.00 C ATOM 1771 NE ARG A 107 -9.501 0.430 3.802 1.00 5.42 N ATOM 1772 CZ ARG A 107 -10.585 1.114 3.407 1.00 4.30 C ATOM 1773 NH1 ARG A 107 -11.236 0.784 2.294 1.00 64.00 N ATOM 1774 NH2 ARG A 107 -11.025 2.116 4.145 1.00 63.04 N ATOM 0 H ARG A 107 -5.795 -2.382 6.008 1.00 25.43 H new ATOM 0 HA ARG A 107 -8.372 -3.237 7.034 1.00 30.10 H new ATOM 0 HB2 ARG A 107 -9.497 -2.870 4.807 1.00 43.45 H new ATOM 0 HB3 ARG A 107 -9.224 -1.410 5.736 1.00 43.45 H new ATOM 0 HG2 ARG A 107 -7.184 -0.935 4.324 1.00 32.01 H new ATOM 0 HG3 ARG A 107 -7.553 -2.351 3.359 1.00 32.01 H new ATOM 0 HD2 ARG A 107 -8.371 -0.353 2.212 1.00 31.00 H new ATOM 0 HD3 ARG A 107 -9.734 -1.342 2.695 1.00 31.00 H new ATOM 0 HE ARG A 107 -9.042 0.723 4.665 1.00 5.42 H new ATOM 0 HH11 ARG A 107 -10.912 0.000 1.727 1.00 64.00 H new ATOM 0 HH12 ARG A 107 -12.059 1.315 2.008 1.00 64.00 H new ATOM 0 HH21 ARG A 107 -10.541 2.365 5.008 1.00 63.04 H new ATOM 0 HH22 ARG A 107 -11.849 2.642 3.852 1.00 63.04 H new ATOM 1788 N VAL A 108 -7.966 -5.418 5.930 1.00 31.30 N ATOM 1789 CA VAL A 108 -7.666 -6.784 5.450 1.00 15.30 C ATOM 1790 C VAL A 108 -8.922 -7.424 4.828 1.00 63.03 C ATOM 1791 O VAL A 108 -10.044 -7.140 5.265 1.00 63.31 O ATOM 1792 CB VAL A 108 -7.116 -7.706 6.611 1.00 51.24 C ATOM 1793 CG1 VAL A 108 -5.692 -7.298 7.029 1.00 65.02 C ATOM 1794 CG2 VAL A 108 -8.065 -7.720 7.834 1.00 12.43 C ATOM 0 H VAL A 108 -8.725 -5.390 6.610 1.00 31.30 H new ATOM 0 HA VAL A 108 -6.889 -6.698 4.690 1.00 15.30 H new ATOM 0 HB VAL A 108 -7.073 -8.721 6.215 1.00 51.24 H new ATOM 0 HG11 VAL A 108 -5.346 -7.953 7.829 1.00 65.02 H new ATOM 0 HG12 VAL A 108 -5.023 -7.385 6.173 1.00 65.02 H new ATOM 0 HG13 VAL A 108 -5.698 -6.267 7.382 1.00 65.02 H new ATOM 0 HG21 VAL A 108 -7.651 -8.365 8.609 1.00 12.43 H new ATOM 0 HG22 VAL A 108 -8.172 -6.708 8.223 1.00 12.43 H new ATOM 0 HG23 VAL A 108 -9.042 -8.097 7.532 1.00 12.43 H new ATOM 1804 N THR A 109 -8.729 -8.268 3.795 1.00 54.12 N ATOM 1805 CA THR A 109 -9.829 -9.003 3.137 1.00 33.33 C ATOM 1806 C THR A 109 -9.273 -10.250 2.424 1.00 23.31 C ATOM 1807 O THR A 109 -8.182 -10.209 1.850 1.00 44.11 O ATOM 1808 CB THR A 109 -10.616 -8.081 2.134 1.00 1.24 C ATOM 1809 OG1 THR A 109 -11.759 -8.766 1.600 1.00 13.24 O ATOM 1810 CG2 THR A 109 -9.740 -7.564 0.973 1.00 31.41 C ATOM 0 H THR A 109 -7.811 -8.459 3.394 1.00 54.12 H new ATOM 0 HA THR A 109 -10.536 -9.323 3.902 1.00 33.33 H new ATOM 0 HB THR A 109 -10.939 -7.215 2.712 1.00 1.24 H new ATOM 0 HG1 THR A 109 -12.464 -8.116 1.396 1.00 13.24 H new ATOM 0 HG21 THR A 109 -10.341 -6.934 0.317 1.00 31.41 H new ATOM 0 HG22 THR A 109 -8.910 -6.982 1.374 1.00 31.41 H new ATOM 0 HG23 THR A 109 -9.350 -8.410 0.407 1.00 31.41 H new ATOM 1818 N ASP A 110 -10.005 -11.380 2.514 1.00 3.54 N ATOM 1819 CA ASP A 110 -9.619 -12.633 1.839 1.00 63.32 C ATOM 1820 C ASP A 110 -10.475 -12.822 0.569 1.00 41.34 C ATOM 1821 O ASP A 110 -11.524 -13.472 0.600 1.00 64.30 O ATOM 1822 CB ASP A 110 -9.735 -13.854 2.817 1.00 1.21 C ATOM 1823 CG ASP A 110 -11.139 -14.069 3.429 1.00 45.13 C ATOM 1824 OD1 ASP A 110 -11.598 -13.219 4.214 1.00 50.44 O ATOM 1825 OD2 ASP A 110 -11.796 -15.096 3.133 1.00 33.25 O ATOM 0 H ASP A 110 -10.870 -11.448 3.050 1.00 3.54 H new ATOM 0 HA ASP A 110 -8.574 -12.573 1.536 1.00 63.32 H new ATOM 0 HB2 ASP A 110 -9.446 -14.758 2.281 1.00 1.21 H new ATOM 0 HB3 ASP A 110 -9.018 -13.721 3.627 1.00 1.21 H new ATOM 1830 N ASN A 111 -9.993 -12.205 -0.542 1.00 11.14 N ATOM 1831 CA ASN A 111 -10.584 -12.277 -1.913 1.00 64.22 C ATOM 1832 C ASN A 111 -10.002 -11.145 -2.794 1.00 65.12 C ATOM 1833 O ASN A 111 -9.256 -10.286 -2.307 1.00 30.14 O ATOM 1834 CB ASN A 111 -12.140 -12.198 -1.937 1.00 14.44 C ATOM 1835 CG ASN A 111 -12.690 -10.845 -1.510 1.00 33.02 C ATOM 1836 OD1 ASN A 111 -12.925 -9.982 -2.340 1.00 70.52 O ATOM 1837 ND2 ASN A 111 -12.892 -10.654 -0.215 1.00 15.13 N ATOM 0 H ASN A 111 -9.155 -11.624 -0.511 1.00 11.14 H new ATOM 0 HA ASN A 111 -10.316 -13.258 -2.306 1.00 64.22 H new ATOM 0 HB2 ASN A 111 -12.491 -12.421 -2.944 1.00 14.44 H new ATOM 0 HB3 ASN A 111 -12.544 -12.968 -1.280 1.00 14.44 H new ATOM 0 HD21 ASN A 111 -13.256 -9.761 0.118 1.00 15.13 H new ATOM 0 HD22 ASN A 111 -12.684 -11.400 0.449 1.00 15.13 H new ATOM 1844 N GLU A 112 -10.400 -11.130 -4.078 1.00 63.45 N ATOM 1845 CA GLU A 112 -9.885 -10.186 -5.088 1.00 62.01 C ATOM 1846 C GLU A 112 -10.872 -9.015 -5.330 1.00 72.10 C ATOM 1847 O GLU A 112 -10.445 -7.869 -5.494 1.00 63.31 O ATOM 1848 CB GLU A 112 -9.635 -10.958 -6.410 1.00 73.34 C ATOM 1849 CG GLU A 112 -8.889 -10.164 -7.495 1.00 23.24 C ATOM 1850 CD GLU A 112 -8.849 -10.897 -8.845 1.00 42.03 C ATOM 1851 OE1 GLU A 112 -9.694 -10.610 -9.724 1.00 53.53 O ATOM 1852 OE2 GLU A 112 -7.997 -11.785 -9.022 1.00 51.11 O ATOM 0 H GLU A 112 -11.095 -11.779 -4.448 1.00 63.45 H new ATOM 0 HA GLU A 112 -8.953 -9.754 -4.722 1.00 62.01 H new ATOM 0 HB2 GLU A 112 -9.065 -11.860 -6.185 1.00 73.34 H new ATOM 0 HB3 GLU A 112 -10.595 -11.280 -6.812 1.00 73.34 H new ATOM 0 HG2 GLU A 112 -9.371 -9.195 -7.626 1.00 23.24 H new ATOM 0 HG3 GLU A 112 -7.870 -9.970 -7.161 1.00 23.24 H new ATOM 1859 N ASP A 113 -12.191 -9.319 -5.349 1.00 65.11 N ATOM 1860 CA ASP A 113 -13.256 -8.337 -5.708 1.00 73.12 C ATOM 1861 C ASP A 113 -13.279 -7.148 -4.730 1.00 65.13 C ATOM 1862 O ASP A 113 -13.108 -5.997 -5.144 1.00 53.40 O ATOM 1863 CB ASP A 113 -14.656 -9.024 -5.748 1.00 41.40 C ATOM 1864 CG ASP A 113 -14.856 -10.000 -6.924 1.00 53.54 C ATOM 1865 OD1 ASP A 113 -15.878 -9.907 -7.633 1.00 42.23 O ATOM 1866 OD2 ASP A 113 -13.983 -10.861 -7.161 1.00 11.31 O ATOM 0 H ASP A 113 -12.551 -10.245 -5.118 1.00 65.11 H new ATOM 0 HA ASP A 113 -13.023 -7.956 -6.702 1.00 73.12 H new ATOM 0 HB2 ASP A 113 -14.808 -9.565 -4.814 1.00 41.40 H new ATOM 0 HB3 ASP A 113 -15.424 -8.252 -5.798 1.00 41.40 H new ATOM 1871 N GLU A 114 -13.493 -7.463 -3.433 1.00 42.31 N ATOM 1872 CA GLU A 114 -13.450 -6.485 -2.324 1.00 41.32 C ATOM 1873 C GLU A 114 -12.141 -5.695 -2.328 1.00 31.34 C ATOM 1874 O GLU A 114 -12.164 -4.479 -2.177 1.00 23.42 O ATOM 1875 CB GLU A 114 -13.633 -7.192 -0.954 1.00 0.33 C ATOM 1876 CG GLU A 114 -15.055 -7.713 -0.685 1.00 43.32 C ATOM 1877 CD GLU A 114 -16.072 -6.582 -0.454 1.00 24.00 C ATOM 1878 OE1 GLU A 114 -16.923 -6.327 -1.326 1.00 55.52 O ATOM 1879 OE2 GLU A 114 -16.012 -5.942 0.621 1.00 4.02 O ATOM 0 H GLU A 114 -13.702 -8.412 -3.124 1.00 42.31 H new ATOM 0 HA GLU A 114 -14.274 -5.788 -2.475 1.00 41.32 H new ATOM 0 HB2 GLU A 114 -12.937 -8.029 -0.896 1.00 0.33 H new ATOM 0 HB3 GLU A 114 -13.360 -6.495 -0.161 1.00 0.33 H new ATOM 0 HG2 GLU A 114 -15.380 -8.320 -1.530 1.00 43.32 H new ATOM 0 HG3 GLU A 114 -15.039 -8.365 0.189 1.00 43.32 H new ATOM 1886 N ALA A 115 -11.017 -6.412 -2.539 1.00 50.23 N ATOM 1887 CA ALA A 115 -9.670 -5.815 -2.581 1.00 31.24 C ATOM 1888 C ALA A 115 -9.630 -4.607 -3.538 1.00 44.20 C ATOM 1889 O ALA A 115 -9.127 -3.553 -3.172 1.00 74.21 O ATOM 1890 CB ALA A 115 -8.630 -6.873 -2.983 1.00 43.03 C ATOM 0 H ALA A 115 -11.020 -7.422 -2.685 1.00 50.23 H new ATOM 0 HA ALA A 115 -9.423 -5.453 -1.583 1.00 31.24 H new ATOM 0 HB1 ALA A 115 -7.640 -6.418 -3.010 1.00 43.03 H new ATOM 0 HB2 ALA A 115 -8.637 -7.685 -2.255 1.00 43.03 H new ATOM 0 HB3 ALA A 115 -8.875 -7.268 -3.969 1.00 43.03 H new ATOM 1896 N LYS A 116 -10.241 -4.780 -4.733 1.00 43.10 N ATOM 1897 CA LYS A 116 -10.300 -3.744 -5.794 1.00 13.12 C ATOM 1898 C LYS A 116 -11.166 -2.544 -5.392 1.00 31.21 C ATOM 1899 O LYS A 116 -10.820 -1.398 -5.679 1.00 52.00 O ATOM 1900 CB LYS A 116 -10.853 -4.363 -7.104 1.00 31.32 C ATOM 1901 CG LYS A 116 -9.966 -5.484 -7.665 1.00 30.45 C ATOM 1902 CD LYS A 116 -10.499 -6.075 -8.984 1.00 50.21 C ATOM 1903 CE LYS A 116 -9.541 -7.126 -9.545 1.00 21.52 C ATOM 1904 NZ LYS A 116 -10.065 -7.788 -10.758 1.00 3.04 N ATOM 0 H LYS A 116 -10.711 -5.648 -4.991 1.00 43.10 H new ATOM 0 HA LYS A 116 -9.284 -3.381 -5.947 1.00 13.12 H new ATOM 0 HB2 LYS A 116 -11.852 -4.758 -6.918 1.00 31.32 H new ATOM 0 HB3 LYS A 116 -10.954 -3.579 -7.854 1.00 31.32 H new ATOM 0 HG2 LYS A 116 -8.960 -5.096 -7.828 1.00 30.45 H new ATOM 0 HG3 LYS A 116 -9.885 -6.280 -6.924 1.00 30.45 H new ATOM 0 HD2 LYS A 116 -11.478 -6.524 -8.815 1.00 50.21 H new ATOM 0 HD3 LYS A 116 -10.636 -5.277 -9.714 1.00 50.21 H new ATOM 0 HE2 LYS A 116 -8.587 -6.654 -9.778 1.00 21.52 H new ATOM 0 HE3 LYS A 116 -9.346 -7.879 -8.781 1.00 21.52 H new ATOM 0 HZ1 LYS A 116 -9.301 -8.322 -11.219 1.00 3.04 H new ATOM 0 HZ2 LYS A 116 -10.832 -8.439 -10.494 1.00 3.04 H new ATOM 0 HZ3 LYS A 116 -10.431 -7.070 -11.415 1.00 3.04 H new ATOM 1918 N LYS A 117 -12.295 -2.836 -4.732 1.00 41.21 N ATOM 1919 CA LYS A 117 -13.283 -1.822 -4.314 1.00 10.10 C ATOM 1920 C LYS A 117 -12.669 -0.866 -3.281 1.00 52.24 C ATOM 1921 O LYS A 117 -12.796 0.363 -3.380 1.00 3.13 O ATOM 1922 CB LYS A 117 -14.523 -2.537 -3.719 1.00 53.35 C ATOM 1923 CG LYS A 117 -15.176 -3.547 -4.686 1.00 73.55 C ATOM 1924 CD LYS A 117 -16.281 -4.392 -4.015 1.00 11.34 C ATOM 1925 CE LYS A 117 -16.771 -5.548 -4.906 1.00 35.52 C ATOM 1926 NZ LYS A 117 -17.765 -6.410 -4.204 1.00 54.25 N ATOM 0 H LYS A 117 -12.554 -3.787 -4.470 1.00 41.21 H new ATOM 0 HA LYS A 117 -13.585 -1.233 -5.180 1.00 10.10 H new ATOM 0 HB2 LYS A 117 -14.230 -3.057 -2.807 1.00 53.35 H new ATOM 0 HB3 LYS A 117 -15.262 -1.788 -3.435 1.00 53.35 H new ATOM 0 HG2 LYS A 117 -15.601 -3.009 -5.533 1.00 73.55 H new ATOM 0 HG3 LYS A 117 -14.408 -4.211 -5.083 1.00 73.55 H new ATOM 0 HD2 LYS A 117 -15.903 -4.798 -3.077 1.00 11.34 H new ATOM 0 HD3 LYS A 117 -17.124 -3.748 -3.767 1.00 11.34 H new ATOM 0 HE2 LYS A 117 -17.219 -5.142 -5.813 1.00 35.52 H new ATOM 0 HE3 LYS A 117 -15.919 -6.154 -5.215 1.00 35.52 H new ATOM 0 HZ1 LYS A 117 -17.719 -7.376 -4.588 1.00 54.25 H new ATOM 0 HZ2 LYS A 117 -17.549 -6.431 -3.187 1.00 54.25 H new ATOM 0 HZ3 LYS A 117 -18.721 -6.025 -4.347 1.00 54.25 H new ATOM 1940 N ARG A 118 -11.956 -1.469 -2.318 1.00 2.24 N ATOM 1941 CA ARG A 118 -11.356 -0.756 -1.185 1.00 74.24 C ATOM 1942 C ARG A 118 -10.024 -0.106 -1.607 1.00 72.32 C ATOM 1943 O ARG A 118 -9.577 0.854 -0.982 1.00 24.34 O ATOM 1944 CB ARG A 118 -11.166 -1.739 0.008 1.00 33.42 C ATOM 1945 CG ARG A 118 -12.396 -2.644 0.291 1.00 71.21 C ATOM 1946 CD ARG A 118 -13.718 -1.876 0.517 1.00 73.23 C ATOM 1947 NE ARG A 118 -14.895 -2.770 0.411 1.00 32.11 N ATOM 1948 CZ ARG A 118 -16.096 -2.411 -0.081 1.00 51.01 C ATOM 1949 NH1 ARG A 118 -16.319 -1.174 -0.508 1.00 53.21 N ATOM 1950 NH2 ARG A 118 -17.064 -3.311 -0.176 1.00 14.23 N ATOM 0 H ARG A 118 -11.779 -2.474 -2.305 1.00 2.24 H new ATOM 0 HA ARG A 118 -12.021 0.045 -0.862 1.00 74.24 H new ATOM 0 HB2 ARG A 118 -10.302 -2.372 -0.192 1.00 33.42 H new ATOM 0 HB3 ARG A 118 -10.939 -1.164 0.905 1.00 33.42 H new ATOM 0 HG2 ARG A 118 -12.527 -3.329 -0.546 1.00 71.21 H new ATOM 0 HG3 ARG A 118 -12.189 -3.252 1.171 1.00 71.21 H new ATOM 0 HD2 ARG A 118 -13.704 -1.408 1.501 1.00 73.23 H new ATOM 0 HD3 ARG A 118 -13.803 -1.074 -0.216 1.00 73.23 H new ATOM 0 HE ARG A 118 -14.787 -3.731 0.736 1.00 32.11 H new ATOM 0 HH11 ARG A 118 -15.574 -0.478 -0.466 1.00 53.21 H new ATOM 0 HH12 ARG A 118 -17.235 -0.919 -0.878 1.00 53.21 H new ATOM 0 HH21 ARG A 118 -16.898 -4.272 0.123 1.00 14.23 H new ATOM 0 HH22 ARG A 118 -17.975 -3.043 -0.548 1.00 14.23 H new ATOM 1964 N LEU A 119 -9.402 -0.659 -2.676 1.00 13.11 N ATOM 1965 CA LEU A 119 -8.170 -0.113 -3.290 1.00 40.13 C ATOM 1966 C LEU A 119 -8.521 1.220 -3.970 1.00 10.43 C ATOM 1967 O LEU A 119 -7.930 2.258 -3.665 1.00 64.33 O ATOM 1968 CB LEU A 119 -7.581 -1.156 -4.308 1.00 33.32 C ATOM 1969 CG LEU A 119 -6.051 -1.093 -4.659 1.00 3.23 C ATOM 1970 CD1 LEU A 119 -5.664 0.174 -5.419 1.00 21.21 C ATOM 1971 CD2 LEU A 119 -5.175 -1.270 -3.404 1.00 25.14 C ATOM 0 H LEU A 119 -9.744 -1.501 -3.138 1.00 13.11 H new ATOM 0 HA LEU A 119 -7.405 0.071 -2.536 1.00 40.13 H new ATOM 0 HB2 LEU A 119 -7.789 -2.152 -3.917 1.00 33.32 H new ATOM 0 HB3 LEU A 119 -8.137 -1.057 -5.240 1.00 33.32 H new ATOM 0 HG LEU A 119 -5.862 -1.931 -5.330 1.00 3.23 H new ATOM 0 HD11 LEU A 119 -4.595 0.158 -5.632 1.00 21.21 H new ATOM 0 HD12 LEU A 119 -6.220 0.221 -6.355 1.00 21.21 H new ATOM 0 HD13 LEU A 119 -5.900 1.048 -4.813 1.00 21.21 H new ATOM 0 HD21 LEU A 119 -4.123 -1.221 -3.685 1.00 25.14 H new ATOM 0 HD22 LEU A 119 -5.397 -0.477 -2.690 1.00 25.14 H new ATOM 0 HD23 LEU A 119 -5.384 -2.238 -2.948 1.00 25.14 H new ATOM 1983 N LYS A 120 -9.540 1.160 -4.849 1.00 32.40 N ATOM 1984 CA LYS A 120 -10.058 2.314 -5.606 1.00 53.31 C ATOM 1985 C LYS A 120 -10.593 3.388 -4.632 1.00 3.44 C ATOM 1986 O LYS A 120 -10.499 4.584 -4.921 1.00 14.43 O ATOM 1987 CB LYS A 120 -11.148 1.803 -6.607 1.00 63.11 C ATOM 1988 CG LYS A 120 -11.647 2.817 -7.682 1.00 50.24 C ATOM 1989 CD LYS A 120 -12.821 3.711 -7.219 1.00 70.33 C ATOM 1990 CE LYS A 120 -14.085 2.909 -6.852 1.00 53.01 C ATOM 1991 NZ LYS A 120 -15.169 3.790 -6.328 1.00 62.20 N ATOM 0 H LYS A 120 -10.034 0.292 -5.056 1.00 32.40 H new ATOM 0 HA LYS A 120 -9.266 2.789 -6.184 1.00 53.31 H new ATOM 0 HB2 LYS A 120 -10.752 0.928 -7.123 1.00 63.11 H new ATOM 0 HB3 LYS A 120 -12.010 1.469 -6.029 1.00 63.11 H new ATOM 0 HG2 LYS A 120 -10.814 3.455 -7.976 1.00 50.24 H new ATOM 0 HG3 LYS A 120 -11.955 2.265 -8.570 1.00 50.24 H new ATOM 0 HD2 LYS A 120 -12.506 4.296 -6.355 1.00 70.33 H new ATOM 0 HD3 LYS A 120 -13.065 4.419 -8.011 1.00 70.33 H new ATOM 0 HE2 LYS A 120 -14.444 2.375 -7.732 1.00 53.01 H new ATOM 0 HE3 LYS A 120 -13.834 2.158 -6.103 1.00 53.01 H new ATOM 0 HZ1 LYS A 120 -16.044 3.238 -6.221 1.00 62.20 H new ATOM 0 HZ2 LYS A 120 -14.887 4.175 -5.404 1.00 62.20 H new ATOM 0 HZ3 LYS A 120 -15.333 4.572 -6.994 1.00 62.20 H new ATOM 2005 N GLU A 121 -11.127 2.928 -3.475 1.00 3.04 N ATOM 2006 CA GLU A 121 -11.576 3.807 -2.382 1.00 5.50 C ATOM 2007 C GLU A 121 -10.414 4.668 -1.854 1.00 1.32 C ATOM 2008 O GLU A 121 -10.575 5.872 -1.666 1.00 74.23 O ATOM 2009 CB GLU A 121 -12.169 2.977 -1.217 1.00 55.35 C ATOM 2010 CG GLU A 121 -12.872 3.816 -0.122 1.00 50.44 C ATOM 2011 CD GLU A 121 -13.216 3.012 1.142 1.00 4.45 C ATOM 2012 OE1 GLU A 121 -13.820 1.919 1.021 1.00 72.34 O ATOM 2013 OE2 GLU A 121 -12.867 3.450 2.263 1.00 12.35 O ATOM 0 H GLU A 121 -11.256 1.935 -3.279 1.00 3.04 H new ATOM 0 HA GLU A 121 -12.348 4.462 -2.785 1.00 5.50 H new ATOM 0 HB2 GLU A 121 -12.884 2.262 -1.624 1.00 55.35 H new ATOM 0 HB3 GLU A 121 -11.368 2.399 -0.756 1.00 55.35 H new ATOM 0 HG2 GLU A 121 -12.229 4.652 0.153 1.00 50.44 H new ATOM 0 HG3 GLU A 121 -13.788 4.241 -0.533 1.00 50.44 H new ATOM 2020 N LEU A 122 -9.240 4.024 -1.627 1.00 43.14 N ATOM 2021 CA LEU A 122 -8.033 4.712 -1.117 1.00 73.21 C ATOM 2022 C LEU A 122 -7.579 5.801 -2.086 1.00 74.54 C ATOM 2023 O LEU A 122 -7.215 6.894 -1.656 1.00 60.43 O ATOM 2024 CB LEU A 122 -6.861 3.728 -0.860 1.00 21.03 C ATOM 2025 CG LEU A 122 -7.112 2.606 0.186 1.00 43.30 C ATOM 2026 CD1 LEU A 122 -5.828 1.805 0.427 1.00 72.30 C ATOM 2027 CD2 LEU A 122 -7.692 3.158 1.505 1.00 71.34 C ATOM 0 H LEU A 122 -9.107 3.026 -1.791 1.00 43.14 H new ATOM 0 HA LEU A 122 -8.311 5.164 -0.165 1.00 73.21 H new ATOM 0 HB2 LEU A 122 -6.597 3.258 -1.807 1.00 21.03 H new ATOM 0 HB3 LEU A 122 -5.995 4.306 -0.538 1.00 21.03 H new ATOM 0 HG LEU A 122 -7.865 1.933 -0.224 1.00 43.30 H new ATOM 0 HD11 LEU A 122 -6.020 1.023 1.162 1.00 72.30 H new ATOM 0 HD12 LEU A 122 -5.501 1.352 -0.509 1.00 72.30 H new ATOM 0 HD13 LEU A 122 -5.049 2.470 0.800 1.00 72.30 H new ATOM 0 HD21 LEU A 122 -7.850 2.337 2.204 1.00 71.34 H new ATOM 0 HD22 LEU A 122 -6.994 3.874 1.938 1.00 71.34 H new ATOM 0 HD23 LEU A 122 -8.642 3.653 1.306 1.00 71.34 H new ATOM 2039 N LEU A 123 -7.615 5.482 -3.402 1.00 24.23 N ATOM 2040 CA LEU A 123 -7.303 6.456 -4.465 1.00 25.10 C ATOM 2041 C LEU A 123 -8.211 7.686 -4.345 1.00 54.31 C ATOM 2042 O LEU A 123 -7.724 8.810 -4.373 1.00 33.44 O ATOM 2043 CB LEU A 123 -7.411 5.837 -5.894 1.00 12.00 C ATOM 2044 CG LEU A 123 -6.172 5.021 -6.391 1.00 62.23 C ATOM 2045 CD1 LEU A 123 -4.877 5.841 -6.258 1.00 41.12 C ATOM 2046 CD2 LEU A 123 -6.044 3.669 -5.681 1.00 53.14 C ATOM 0 H LEU A 123 -7.858 4.554 -3.749 1.00 24.23 H new ATOM 0 HA LEU A 123 -6.265 6.759 -4.326 1.00 25.10 H new ATOM 0 HB2 LEU A 123 -8.283 5.184 -5.919 1.00 12.00 H new ATOM 0 HB3 LEU A 123 -7.596 6.644 -6.603 1.00 12.00 H new ATOM 0 HG LEU A 123 -6.335 4.811 -7.448 1.00 62.23 H new ATOM 0 HD11 LEU A 123 -4.033 5.248 -6.611 1.00 41.12 H new ATOM 0 HD12 LEU A 123 -4.958 6.749 -6.856 1.00 41.12 H new ATOM 0 HD13 LEU A 123 -4.721 6.108 -5.213 1.00 41.12 H new ATOM 0 HD21 LEU A 123 -5.169 3.140 -6.060 1.00 53.14 H new ATOM 0 HD22 LEU A 123 -5.934 3.830 -4.609 1.00 53.14 H new ATOM 0 HD23 LEU A 123 -6.938 3.074 -5.868 1.00 53.14 H new ATOM 2058 N GLU A 124 -9.520 7.446 -4.144 1.00 62.22 N ATOM 2059 CA GLU A 124 -10.519 8.521 -4.002 1.00 30.02 C ATOM 2060 C GLU A 124 -10.223 9.371 -2.754 1.00 53.22 C ATOM 2061 O GLU A 124 -10.289 10.583 -2.825 1.00 10.51 O ATOM 2062 CB GLU A 124 -11.951 7.932 -3.939 1.00 62.52 C ATOM 2063 CG GLU A 124 -12.401 7.223 -5.231 1.00 62.00 C ATOM 2064 CD GLU A 124 -13.768 6.533 -5.097 1.00 33.50 C ATOM 2065 OE1 GLU A 124 -13.888 5.612 -4.265 1.00 32.04 O ATOM 2066 OE2 GLU A 124 -14.715 6.874 -5.841 1.00 52.24 O ATOM 0 H GLU A 124 -9.913 6.507 -4.076 1.00 62.22 H new ATOM 0 HA GLU A 124 -10.456 9.167 -4.878 1.00 30.02 H new ATOM 0 HB2 GLU A 124 -12.004 7.224 -3.112 1.00 62.52 H new ATOM 0 HB3 GLU A 124 -12.653 8.736 -3.716 1.00 62.52 H new ATOM 0 HG2 GLU A 124 -12.446 7.951 -6.041 1.00 62.00 H new ATOM 0 HG3 GLU A 124 -11.653 6.482 -5.511 1.00 62.00 H new ATOM 2073 N LYS A 125 -9.834 8.706 -1.645 1.00 63.31 N ATOM 2074 CA LYS A 125 -9.522 9.364 -0.346 1.00 11.55 C ATOM 2075 C LYS A 125 -8.314 10.322 -0.456 1.00 4.42 C ATOM 2076 O LYS A 125 -8.279 11.371 0.205 1.00 30.24 O ATOM 2077 CB LYS A 125 -9.255 8.284 0.739 1.00 55.34 C ATOM 2078 CG LYS A 125 -10.489 7.427 1.104 1.00 14.22 C ATOM 2079 CD LYS A 125 -10.131 6.187 1.960 1.00 42.21 C ATOM 2080 CE LYS A 125 -9.450 6.537 3.295 1.00 40.32 C ATOM 2081 NZ LYS A 125 -9.115 5.311 4.078 1.00 22.15 N ATOM 0 H LYS A 125 -9.725 7.692 -1.620 1.00 63.31 H new ATOM 0 HA LYS A 125 -10.386 9.965 -0.061 1.00 11.55 H new ATOM 0 HB2 LYS A 125 -8.460 7.625 0.390 1.00 55.34 H new ATOM 0 HB3 LYS A 125 -8.889 8.775 1.641 1.00 55.34 H new ATOM 0 HG2 LYS A 125 -11.205 8.043 1.648 1.00 14.22 H new ATOM 0 HG3 LYS A 125 -10.981 7.100 0.188 1.00 14.22 H new ATOM 0 HD2 LYS A 125 -11.040 5.621 2.163 1.00 42.21 H new ATOM 0 HD3 LYS A 125 -9.472 5.537 1.385 1.00 42.21 H new ATOM 0 HE2 LYS A 125 -8.541 7.106 3.102 1.00 40.32 H new ATOM 0 HE3 LYS A 125 -10.108 7.177 3.883 1.00 40.32 H new ATOM 0 HZ1 LYS A 125 -8.832 5.581 5.042 1.00 22.15 H new ATOM 0 HZ2 LYS A 125 -9.948 4.690 4.123 1.00 22.15 H new ATOM 0 HZ3 LYS A 125 -8.332 4.807 3.616 1.00 22.15 H new ATOM 2095 N VAL A 126 -7.330 9.938 -1.291 1.00 35.44 N ATOM 2096 CA VAL A 126 -6.135 10.757 -1.558 1.00 63.42 C ATOM 2097 C VAL A 126 -6.511 11.952 -2.459 1.00 12.53 C ATOM 2098 O VAL A 126 -6.142 13.102 -2.179 1.00 25.02 O ATOM 2099 CB VAL A 126 -4.998 9.901 -2.235 1.00 22.02 C ATOM 2100 CG1 VAL A 126 -3.755 10.763 -2.550 1.00 23.53 C ATOM 2101 CG2 VAL A 126 -4.618 8.686 -1.353 1.00 33.24 C ATOM 0 H VAL A 126 -7.342 9.053 -1.798 1.00 35.44 H new ATOM 0 HA VAL A 126 -5.754 11.128 -0.607 1.00 63.42 H new ATOM 0 HB VAL A 126 -5.388 9.525 -3.181 1.00 22.02 H new ATOM 0 HG11 VAL A 126 -2.990 10.142 -3.016 1.00 23.53 H new ATOM 0 HG12 VAL A 126 -4.033 11.568 -3.230 1.00 23.53 H new ATOM 0 HG13 VAL A 126 -3.364 11.188 -1.626 1.00 23.53 H new ATOM 0 HG21 VAL A 126 -3.832 8.112 -1.843 1.00 33.24 H new ATOM 0 HG22 VAL A 126 -4.261 9.037 -0.385 1.00 33.24 H new ATOM 0 HG23 VAL A 126 -5.493 8.053 -1.210 1.00 33.24 H new