USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 905 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 106 THR OG1 : rot -155:sc= 0.949 USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -2.46! F(o=-4.1,f=-1.5!) USER MOD Set 2.1: A 18 HIS : no HE2:sc= -1.9! C(o=-0.52!,f=-12!) USER MOD Set 2.2: A 19 SER OG : rot 180:sc= -0.409 USER MOD Set 2.3: A 20 GLN : amide:sc= 0.758 K(o=-0.52,f=-7!) USER MOD Set 2.4: A 21 SER OG : rot 129:sc= 1.26 USER MOD Set 2.5: A 35 THR OG1 : rot 180:sc= -0.221 USER MOD Set 3.1: A 17 LYS NZ :NH3+ -178:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 108 SER OG : rot 76:sc= 0.986 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -1.75! C(o=-0.43!,f=-6.5!) USER MOD Set 4.2: A 69 SER OG : rot -165:sc= 1.32 USER MOD Set 5.1: A 11 CYS SG : rot -97:sc= 1.26 USER MOD Set 5.2: A 92 SER OG : rot -124:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.119 (180deg=0) USER MOD Single : A 2 SER OG : rot 130:sc= 0.0228 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 161:sc= -0.038 (180deg=-0.379) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -74:sc= 0.555 USER MOD Single : A 26 SER OG : rot 180:sc= 1.22 USER MOD Single : A 29 GLN : amide:sc= -0.0965 K(o=-0.097,f=-0.67) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0069) USER MOD Single : A 46 TYR OH : rot -59:sc= 0.651 USER MOD Single : A 48 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0.635 (180deg=0.541) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -161:sc= 1.19 USER MOD Single : A 59 SER OG : rot 170:sc= -0.41 USER MOD Single : A 62 SER OG : rot 36:sc= 1.26 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 65 SER OG : rot 14:sc= 2.14 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= -0.0174 (180deg=-0.138) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.0194 F(o=-0.79,f=-0.019) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0513 X(o=-0.051,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ -135:sc= -0.0199 (180deg=-0.198) USER MOD Single : A 97 THR OG1 : rot -21:sc= 0.715 USER MOD Single : A 100 MET CE :methyl -162:sc= -0.095 (180deg=-0.529) USER MOD Single : A 101 SER OG : rot -100:sc= -1.63! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0782 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.946 -20.111 14.148 1.00 34.32 N ATOM 2 CA GLY A 1 2.443 -20.216 12.765 1.00 51.12 C ATOM 3 C GLY A 1 3.328 -19.052 12.402 1.00 73.33 C ATOM 4 O GLY A 1 3.417 -18.084 13.160 1.00 13.21 O ATOM 0 H1 GLY A 1 2.291 -20.920 14.703 1.00 34.32 H new ATOM 0 H2 GLY A 1 2.289 -19.227 14.574 1.00 34.32 H new ATOM 0 H3 GLY A 1 0.906 -20.112 14.144 1.00 34.32 H new ATOM 0 HA2 GLY A 1 2.999 -21.146 12.647 1.00 51.12 H new ATOM 0 HA3 GLY A 1 1.599 -20.260 12.077 1.00 51.12 H new ATOM 10 N SER A 2 3.984 -19.148 11.245 1.00 71.21 N ATOM 11 CA SER A 2 4.881 -18.107 10.754 1.00 1.23 C ATOM 12 C SER A 2 5.980 -17.805 11.770 1.00 2.42 C ATOM 13 O SER A 2 5.937 -16.792 12.474 1.00 30.03 O ATOM 14 CB SER A 2 4.098 -16.831 10.396 1.00 34.02 C ATOM 15 OG SER A 2 4.924 -15.884 9.733 1.00 65.34 O ATOM 0 H SER A 2 3.907 -19.952 10.622 1.00 71.21 H new ATOM 0 HA SER A 2 5.357 -18.477 9.846 1.00 1.23 H new ATOM 0 HB2 SER A 2 3.253 -17.088 9.758 1.00 34.02 H new ATOM 0 HB3 SER A 2 3.689 -16.387 11.303 1.00 34.02 H new ATOM 0 HG SER A 2 4.479 -15.577 8.916 1.00 65.34 H new ATOM 21 N HIS A 3 6.946 -18.703 11.868 1.00 65.54 N ATOM 22 CA HIS A 3 8.048 -18.517 12.797 1.00 15.25 C ATOM 23 C HIS A 3 9.375 -18.557 12.054 1.00 11.21 C ATOM 24 O HIS A 3 10.436 -18.323 12.629 1.00 52.43 O ATOM 25 CB HIS A 3 8.013 -19.583 13.896 1.00 21.00 C ATOM 26 CG HIS A 3 8.753 -19.186 15.138 1.00 1.12 C ATOM 27 ND1 HIS A 3 8.188 -18.421 16.133 1.00 13.51 N ATOM 28 CD2 HIS A 3 10.019 -19.438 15.537 1.00 54.23 C ATOM 29 CE1 HIS A 3 9.072 -18.218 17.085 1.00 41.13 C ATOM 30 NE2 HIS A 3 10.189 -18.825 16.749 1.00 15.01 N ATOM 0 H HIS A 3 6.990 -19.562 11.320 1.00 65.54 H new ATOM 0 HA HIS A 3 7.943 -17.540 13.268 1.00 15.25 H new ATOM 0 HB2 HIS A 3 6.975 -19.795 14.153 1.00 21.00 H new ATOM 0 HB3 HIS A 3 8.440 -20.508 13.508 1.00 21.00 H new ATOM 0 HD2 HIS A 3 10.758 -20.015 15.001 1.00 54.23 H new ATOM 0 HE1 HIS A 3 8.909 -17.650 17.989 1.00 41.13 H new ATOM 0 HE2 HIS A 3 11.045 -18.837 17.303 1.00 15.01 H new ATOM 39 N MET A 4 9.305 -18.864 10.775 1.00 74.12 N ATOM 40 CA MET A 4 10.482 -18.907 9.936 1.00 35.00 C ATOM 41 C MET A 4 10.343 -17.900 8.814 1.00 3.23 C ATOM 42 O MET A 4 9.233 -17.440 8.521 1.00 55.21 O ATOM 43 CB MET A 4 10.712 -20.316 9.365 1.00 53.13 C ATOM 44 CG MET A 4 11.185 -21.346 10.390 1.00 52.34 C ATOM 45 SD MET A 4 9.887 -21.884 11.531 1.00 64.24 S ATOM 46 CE MET A 4 8.835 -22.829 10.429 1.00 53.11 C ATOM 0 H MET A 4 8.436 -19.089 10.291 1.00 74.12 H new ATOM 0 HA MET A 4 11.349 -18.653 10.546 1.00 35.00 H new ATOM 0 HB2 MET A 4 9.783 -20.669 8.917 1.00 53.13 H new ATOM 0 HB3 MET A 4 11.449 -20.254 8.564 1.00 53.13 H new ATOM 0 HG2 MET A 4 11.577 -22.216 9.864 1.00 52.34 H new ATOM 0 HG3 MET A 4 12.009 -20.922 10.964 1.00 52.34 H new ATOM 0 HE1 MET A 4 8.198 -23.492 11.014 1.00 53.11 H new ATOM 0 HE2 MET A 4 8.213 -22.149 9.847 1.00 53.11 H new ATOM 0 HE3 MET A 4 9.453 -23.422 9.755 1.00 53.11 H new ATOM 56 N GLU A 5 11.449 -17.552 8.193 1.00 0.30 N ATOM 57 CA GLU A 5 11.437 -16.576 7.126 1.00 12.53 C ATOM 58 C GLU A 5 11.179 -17.257 5.781 1.00 73.53 C ATOM 59 O GLU A 5 11.967 -18.100 5.335 1.00 63.01 O ATOM 60 CB GLU A 5 12.757 -15.808 7.102 1.00 74.31 C ATOM 61 CG GLU A 5 12.758 -14.606 6.179 1.00 74.41 C ATOM 62 CD GLU A 5 14.049 -13.832 6.256 1.00 64.12 C ATOM 63 OE1 GLU A 5 14.992 -14.161 5.510 1.00 34.42 O ATOM 64 OE2 GLU A 5 14.136 -12.892 7.071 1.00 70.20 O ATOM 0 H GLU A 5 12.370 -17.932 8.410 1.00 0.30 H new ATOM 0 HA GLU A 5 10.629 -15.867 7.307 1.00 12.53 H new ATOM 0 HB2 GLU A 5 12.990 -15.476 8.114 1.00 74.31 H new ATOM 0 HB3 GLU A 5 13.554 -16.487 6.798 1.00 74.31 H new ATOM 0 HG2 GLU A 5 12.595 -14.937 5.153 1.00 74.41 H new ATOM 0 HG3 GLU A 5 11.927 -13.950 6.438 1.00 74.41 H new ATOM 71 N PRO A 6 10.061 -16.913 5.130 1.00 23.51 N ATOM 72 CA PRO A 6 9.683 -17.494 3.848 1.00 33.21 C ATOM 73 C PRO A 6 10.405 -16.826 2.677 1.00 74.05 C ATOM 74 O PRO A 6 11.151 -15.859 2.859 1.00 60.51 O ATOM 75 CB PRO A 6 8.183 -17.217 3.780 1.00 13.23 C ATOM 76 CG PRO A 6 8.003 -15.944 4.536 1.00 10.40 C ATOM 77 CD PRO A 6 9.071 -15.921 5.601 1.00 50.24 C ATOM 0 HA PRO A 6 9.944 -18.550 3.776 1.00 33.21 H new ATOM 0 HB2 PRO A 6 7.844 -17.117 2.749 1.00 13.23 H new ATOM 0 HB3 PRO A 6 7.609 -18.029 4.227 1.00 13.23 H new ATOM 0 HG2 PRO A 6 8.097 -15.083 3.874 1.00 10.40 H new ATOM 0 HG3 PRO A 6 7.010 -15.895 4.982 1.00 10.40 H new ATOM 0 HD2 PRO A 6 9.514 -14.930 5.702 1.00 50.24 H new ATOM 0 HD3 PRO A 6 8.668 -16.191 6.577 1.00 50.24 H new ATOM 85 N ALA A 7 10.181 -17.345 1.483 1.00 23.44 N ATOM 86 CA ALA A 7 10.804 -16.807 0.287 1.00 52.10 C ATOM 87 C ALA A 7 9.766 -16.169 -0.629 1.00 54.53 C ATOM 88 O ALA A 7 10.043 -15.173 -1.298 1.00 71.44 O ATOM 89 CB ALA A 7 11.561 -17.901 -0.450 1.00 10.34 C ATOM 0 H ALA A 7 9.568 -18.143 1.316 1.00 23.44 H new ATOM 0 HA ALA A 7 11.510 -16.033 0.589 1.00 52.10 H new ATOM 0 HB1 ALA A 7 12.023 -17.484 -1.345 1.00 10.34 H new ATOM 0 HB2 ALA A 7 12.334 -18.310 0.201 1.00 10.34 H new ATOM 0 HB3 ALA A 7 10.869 -18.694 -0.735 1.00 10.34 H new ATOM 95 N ARG A 8 8.579 -16.746 -0.664 1.00 34.03 N ATOM 96 CA ARG A 8 7.505 -16.232 -1.500 1.00 13.23 C ATOM 97 C ARG A 8 6.237 -16.067 -0.683 1.00 13.24 C ATOM 98 O ARG A 8 5.764 -17.018 -0.057 1.00 12.02 O ATOM 99 CB ARG A 8 7.250 -17.170 -2.685 1.00 14.44 C ATOM 100 CG ARG A 8 8.444 -17.329 -3.615 1.00 25.21 C ATOM 101 CD ARG A 8 8.181 -18.374 -4.685 1.00 72.41 C ATOM 102 NE ARG A 8 7.102 -17.983 -5.596 1.00 32.22 N ATOM 103 CZ ARG A 8 6.259 -18.843 -6.180 1.00 23.30 C ATOM 104 NH1 ARG A 8 6.331 -20.144 -5.914 1.00 64.31 N ATOM 105 NH2 ARG A 8 5.341 -18.398 -7.028 1.00 73.03 N ATOM 0 H ARG A 8 8.332 -17.574 -0.122 1.00 34.03 H new ATOM 0 HA ARG A 8 7.805 -15.258 -1.887 1.00 13.23 H new ATOM 0 HB2 ARG A 8 6.966 -18.151 -2.304 1.00 14.44 H new ATOM 0 HB3 ARG A 8 6.403 -16.793 -3.258 1.00 14.44 H new ATOM 0 HG2 ARG A 8 8.669 -16.372 -4.087 1.00 25.21 H new ATOM 0 HG3 ARG A 8 9.322 -17.613 -3.036 1.00 25.21 H new ATOM 0 HD2 ARG A 8 9.093 -18.541 -5.258 1.00 72.41 H new ATOM 0 HD3 ARG A 8 7.926 -19.321 -4.209 1.00 72.41 H new ATOM 0 HE ARG A 8 6.986 -16.990 -5.798 1.00 32.22 H new ATOM 0 HH11 ARG A 8 7.032 -20.493 -5.261 1.00 64.31 H new ATOM 0 HH12 ARG A 8 5.685 -20.793 -6.363 1.00 64.31 H new ATOM 0 HH21 ARG A 8 5.278 -17.401 -7.235 1.00 73.03 H new ATOM 0 HH22 ARG A 8 4.698 -19.053 -7.474 1.00 73.03 H new ATOM 119 N VAL A 9 5.696 -14.862 -0.676 1.00 32.14 N ATOM 120 CA VAL A 9 4.479 -14.570 0.071 1.00 21.55 C ATOM 121 C VAL A 9 3.511 -13.765 -0.774 1.00 10.44 C ATOM 122 O VAL A 9 3.861 -13.309 -1.865 1.00 45.31 O ATOM 123 CB VAL A 9 4.767 -13.793 1.387 1.00 34.23 C ATOM 124 CG1 VAL A 9 5.539 -14.653 2.371 1.00 11.22 C ATOM 125 CG2 VAL A 9 5.521 -12.499 1.102 1.00 71.34 C ATOM 0 H VAL A 9 6.080 -14.064 -1.181 1.00 32.14 H new ATOM 0 HA VAL A 9 4.037 -15.532 0.330 1.00 21.55 H new ATOM 0 HB VAL A 9 3.808 -13.538 1.838 1.00 34.23 H new ATOM 0 HG11 VAL A 9 5.727 -14.085 3.282 1.00 11.22 H new ATOM 0 HG12 VAL A 9 4.957 -15.542 2.612 1.00 11.22 H new ATOM 0 HG13 VAL A 9 6.489 -14.950 1.927 1.00 11.22 H new ATOM 0 HG21 VAL A 9 5.710 -11.974 2.038 1.00 71.34 H new ATOM 0 HG22 VAL A 9 6.470 -12.730 0.617 1.00 71.34 H new ATOM 0 HG23 VAL A 9 4.923 -11.866 0.446 1.00 71.34 H new ATOM 135 N ARG A 10 2.300 -13.602 -0.273 1.00 71.25 N ATOM 136 CA ARG A 10 1.282 -12.826 -0.955 1.00 30.51 C ATOM 137 C ARG A 10 0.786 -11.697 -0.062 1.00 71.11 C ATOM 138 O ARG A 10 0.511 -11.907 1.124 1.00 73.13 O ATOM 139 CB ARG A 10 0.097 -13.709 -1.359 1.00 13.34 C ATOM 140 CG ARG A 10 -1.030 -12.923 -2.005 1.00 51.04 C ATOM 141 CD ARG A 10 -2.265 -13.768 -2.261 1.00 44.31 C ATOM 142 NE ARG A 10 -3.319 -12.970 -2.899 1.00 12.02 N ATOM 143 CZ ARG A 10 -4.628 -13.112 -2.675 1.00 24.35 C ATOM 144 NH1 ARG A 10 -5.066 -14.048 -1.840 1.00 3.43 N ATOM 145 NH2 ARG A 10 -5.501 -12.315 -3.294 1.00 32.11 N ATOM 0 H ARG A 10 1.996 -14.002 0.615 1.00 71.25 H new ATOM 0 HA ARG A 10 1.733 -12.407 -1.854 1.00 30.51 H new ATOM 0 HB2 ARG A 10 0.442 -14.477 -2.052 1.00 13.34 H new ATOM 0 HB3 ARG A 10 -0.284 -14.223 -0.477 1.00 13.34 H new ATOM 0 HG2 ARG A 10 -1.296 -12.084 -1.362 1.00 51.04 H new ATOM 0 HG3 ARG A 10 -0.680 -12.504 -2.948 1.00 51.04 H new ATOM 0 HD2 ARG A 10 -2.007 -14.614 -2.898 1.00 44.31 H new ATOM 0 HD3 ARG A 10 -2.632 -14.178 -1.320 1.00 44.31 H new ATOM 0 HE ARG A 10 -3.030 -12.253 -3.564 1.00 12.02 H new ATOM 0 HH11 ARG A 10 -4.402 -14.661 -1.367 1.00 3.43 H new ATOM 0 HH12 ARG A 10 -6.066 -14.153 -1.671 1.00 3.43 H new ATOM 0 HH21 ARG A 10 -5.169 -11.597 -3.938 1.00 32.11 H new ATOM 0 HH22 ARG A 10 -6.501 -12.423 -3.123 1.00 32.11 H new ATOM 159 N CYS A 11 0.673 -10.509 -0.625 1.00 13.33 N ATOM 160 CA CYS A 11 0.165 -9.371 0.106 1.00 44.54 C ATOM 161 C CYS A 11 -0.560 -8.421 -0.834 1.00 44.40 C ATOM 162 O CYS A 11 -0.393 -8.490 -2.050 1.00 3.13 O ATOM 163 CB CYS A 11 1.301 -8.637 0.837 1.00 23.53 C ATOM 164 SG CYS A 11 2.548 -7.912 -0.250 1.00 21.32 S ATOM 0 H CYS A 11 0.929 -10.310 -1.592 1.00 13.33 H new ATOM 0 HA CYS A 11 -0.542 -9.733 0.853 1.00 44.54 H new ATOM 0 HB2 CYS A 11 0.869 -7.847 1.451 1.00 23.53 H new ATOM 0 HB3 CYS A 11 1.791 -9.336 1.515 1.00 23.53 H new ATOM 0 HG CYS A 11 3.565 -8.717 -0.342 1.00 21.32 H new ATOM 170 N SER A 12 -1.377 -7.568 -0.275 1.00 40.45 N ATOM 171 CA SER A 12 -2.094 -6.578 -1.037 1.00 40.31 C ATOM 172 C SER A 12 -1.474 -5.206 -0.768 1.00 65.41 C ATOM 173 O SER A 12 -0.810 -5.017 0.258 1.00 51.25 O ATOM 174 CB SER A 12 -3.569 -6.591 -0.643 1.00 13.05 C ATOM 175 OG SER A 12 -4.117 -7.897 -0.765 1.00 1.00 O ATOM 0 H SER A 12 -1.565 -7.540 0.727 1.00 40.45 H new ATOM 0 HA SER A 12 -2.024 -6.801 -2.102 1.00 40.31 H new ATOM 0 HB2 SER A 12 -3.678 -6.241 0.384 1.00 13.05 H new ATOM 0 HB3 SER A 12 -4.124 -5.899 -1.276 1.00 13.05 H new ATOM 0 HG SER A 12 -5.062 -7.881 -0.506 1.00 1.00 H new ATOM 181 N HIS A 13 -1.687 -4.251 -1.663 1.00 2.10 N ATOM 182 CA HIS A 13 -1.060 -2.945 -1.509 1.00 33.23 C ATOM 183 C HIS A 13 -1.977 -1.789 -1.934 1.00 22.12 C ATOM 184 O HIS A 13 -2.457 -1.735 -3.063 1.00 0.54 O ATOM 185 CB HIS A 13 0.294 -2.887 -2.273 1.00 24.54 C ATOM 186 CG HIS A 13 0.196 -3.029 -3.780 1.00 21.54 C ATOM 187 ND1 HIS A 13 1.158 -2.554 -4.645 1.00 63.22 N ATOM 188 CD2 HIS A 13 -0.757 -3.587 -4.566 1.00 33.32 C ATOM 189 CE1 HIS A 13 0.796 -2.809 -5.887 1.00 1.52 C ATOM 190 NE2 HIS A 13 -0.360 -3.435 -5.865 1.00 33.32 N ATOM 0 H HIS A 13 -2.278 -4.352 -2.489 1.00 2.10 H new ATOM 0 HA HIS A 13 -0.868 -2.815 -0.444 1.00 33.23 H new ATOM 0 HB2 HIS A 13 0.780 -1.938 -2.045 1.00 24.54 H new ATOM 0 HB3 HIS A 13 0.941 -3.677 -1.892 1.00 24.54 H new ATOM 0 HD1 HIS A 13 2.017 -2.079 -4.367 1.00 63.22 H new ATOM 0 HD2 HIS A 13 -1.665 -4.065 -4.228 1.00 33.32 H new ATOM 0 HE1 HIS A 13 1.355 -2.548 -6.773 1.00 1.52 H new ATOM 199 N LEU A 14 -2.213 -0.880 -1.013 1.00 2.34 N ATOM 200 CA LEU A 14 -2.992 0.319 -1.289 1.00 0.04 C ATOM 201 C LEU A 14 -2.020 1.486 -1.412 1.00 42.55 C ATOM 202 O LEU A 14 -1.057 1.560 -0.662 1.00 2.11 O ATOM 203 CB LEU A 14 -4.011 0.560 -0.148 1.00 21.34 C ATOM 204 CG LEU A 14 -5.136 1.587 -0.411 1.00 13.40 C ATOM 205 CD1 LEU A 14 -6.285 1.367 0.562 1.00 31.43 C ATOM 206 CD2 LEU A 14 -4.623 3.016 -0.283 1.00 44.50 C ATOM 0 H LEU A 14 -1.874 -0.946 -0.053 1.00 2.34 H new ATOM 0 HA LEU A 14 -3.556 0.211 -2.215 1.00 0.04 H new ATOM 0 HB2 LEU A 14 -4.476 -0.395 0.097 1.00 21.34 H new ATOM 0 HB3 LEU A 14 -3.459 0.882 0.735 1.00 21.34 H new ATOM 0 HG LEU A 14 -5.489 1.440 -1.432 1.00 13.40 H new ATOM 0 HD11 LEU A 14 -7.071 2.096 0.367 1.00 31.43 H new ATOM 0 HD12 LEU A 14 -6.683 0.361 0.433 1.00 31.43 H new ATOM 0 HD13 LEU A 14 -5.925 1.486 1.584 1.00 31.43 H new ATOM 0 HD21 LEU A 14 -5.438 3.714 -0.474 1.00 44.50 H new ATOM 0 HD22 LEU A 14 -4.237 3.175 0.724 1.00 44.50 H new ATOM 0 HD23 LEU A 14 -3.826 3.183 -1.007 1.00 44.50 H new ATOM 218 N LEU A 15 -2.245 2.369 -2.359 1.00 73.31 N ATOM 219 CA LEU A 15 -1.340 3.490 -2.563 1.00 15.23 C ATOM 220 C LEU A 15 -2.081 4.787 -2.802 1.00 45.31 C ATOM 221 O LEU A 15 -2.972 4.862 -3.651 1.00 14.22 O ATOM 222 CB LEU A 15 -0.409 3.217 -3.746 1.00 15.44 C ATOM 223 CG LEU A 15 0.438 4.407 -4.232 1.00 2.12 C ATOM 224 CD1 LEU A 15 1.478 4.792 -3.199 1.00 45.43 C ATOM 225 CD2 LEU A 15 1.098 4.094 -5.567 1.00 12.01 C ATOM 0 H LEU A 15 -3.039 2.338 -2.998 1.00 73.31 H new ATOM 0 HA LEU A 15 -0.758 3.596 -1.648 1.00 15.23 H new ATOM 0 HB2 LEU A 15 0.265 2.406 -3.471 1.00 15.44 H new ATOM 0 HB3 LEU A 15 -1.012 2.861 -4.582 1.00 15.44 H new ATOM 0 HG LEU A 15 -0.230 5.257 -4.373 1.00 2.12 H new ATOM 0 HD11 LEU A 15 2.062 5.635 -3.568 1.00 45.43 H new ATOM 0 HD12 LEU A 15 0.982 5.073 -2.270 1.00 45.43 H new ATOM 0 HD13 LEU A 15 2.139 3.945 -3.015 1.00 45.43 H new ATOM 0 HD21 LEU A 15 1.691 4.950 -5.889 1.00 12.01 H new ATOM 0 HD22 LEU A 15 1.746 3.224 -5.458 1.00 12.01 H new ATOM 0 HD23 LEU A 15 0.331 3.883 -6.312 1.00 12.01 H new ATOM 237 N VAL A 16 -1.711 5.794 -2.047 1.00 61.23 N ATOM 238 CA VAL A 16 -2.223 7.130 -2.238 1.00 51.13 C ATOM 239 C VAL A 16 -1.069 8.021 -2.678 1.00 0.52 C ATOM 240 O VAL A 16 -0.010 8.046 -2.032 1.00 13.20 O ATOM 241 CB VAL A 16 -2.872 7.695 -0.949 1.00 32.45 C ATOM 242 CG1 VAL A 16 -3.310 9.141 -1.148 1.00 5.12 C ATOM 243 CG2 VAL A 16 -4.061 6.838 -0.534 1.00 64.42 C ATOM 0 H VAL A 16 -1.044 5.709 -1.280 1.00 61.23 H new ATOM 0 HA VAL A 16 -3.004 7.103 -2.998 1.00 51.13 H new ATOM 0 HB VAL A 16 -2.125 7.670 -0.155 1.00 32.45 H new ATOM 0 HG11 VAL A 16 -3.762 9.514 -0.229 1.00 5.12 H new ATOM 0 HG12 VAL A 16 -2.443 9.752 -1.400 1.00 5.12 H new ATOM 0 HG13 VAL A 16 -4.038 9.193 -1.958 1.00 5.12 H new ATOM 0 HG21 VAL A 16 -4.506 7.248 0.373 1.00 64.42 H new ATOM 0 HG22 VAL A 16 -4.803 6.834 -1.332 1.00 64.42 H new ATOM 0 HG23 VAL A 16 -3.726 5.818 -0.345 1.00 64.42 H new ATOM 253 N LYS A 17 -1.253 8.716 -3.779 1.00 60.45 N ATOM 254 CA LYS A 17 -0.206 9.548 -4.336 1.00 24.54 C ATOM 255 C LYS A 17 -0.320 10.976 -3.821 1.00 33.40 C ATOM 256 O LYS A 17 -1.318 11.350 -3.197 1.00 1.11 O ATOM 257 CB LYS A 17 -0.265 9.530 -5.866 1.00 43.34 C ATOM 258 CG LYS A 17 -0.020 8.162 -6.496 1.00 64.45 C ATOM 259 CD LYS A 17 -0.348 8.187 -7.982 1.00 40.33 C ATOM 260 CE LYS A 17 -0.221 6.810 -8.627 1.00 31.11 C ATOM 261 NZ LYS A 17 1.193 6.427 -8.894 1.00 23.01 N ATOM 0 H LYS A 17 -2.124 8.722 -4.310 1.00 60.45 H new ATOM 0 HA LYS A 17 0.755 9.143 -4.018 1.00 24.54 H new ATOM 0 HB2 LYS A 17 -1.243 9.891 -6.183 1.00 43.34 H new ATOM 0 HB3 LYS A 17 0.474 10.231 -6.253 1.00 43.34 H new ATOM 0 HG2 LYS A 17 1.021 7.872 -6.353 1.00 64.45 H new ATOM 0 HG3 LYS A 17 -0.632 7.411 -5.996 1.00 64.45 H new ATOM 0 HD2 LYS A 17 -1.363 8.559 -8.121 1.00 40.33 H new ATOM 0 HD3 LYS A 17 0.319 8.885 -8.487 1.00 40.33 H new ATOM 0 HE2 LYS A 17 -0.678 6.065 -7.976 1.00 31.11 H new ATOM 0 HE3 LYS A 17 -0.779 6.799 -9.563 1.00 31.11 H new ATOM 0 HZ1 LYS A 17 1.219 5.499 -9.363 1.00 23.01 H new ATOM 0 HZ2 LYS A 17 1.635 7.139 -9.510 1.00 23.01 H new ATOM 0 HZ3 LYS A 17 1.714 6.376 -7.996 1.00 23.01 H new ATOM 275 N HIS A 18 0.699 11.769 -4.088 1.00 14.03 N ATOM 276 CA HIS A 18 0.736 13.146 -3.630 1.00 35.45 C ATOM 277 C HIS A 18 1.330 14.069 -4.690 1.00 62.15 C ATOM 278 O HIS A 18 1.826 13.606 -5.720 1.00 24.42 O ATOM 279 CB HIS A 18 1.487 13.270 -2.286 1.00 40.33 C ATOM 280 CG HIS A 18 2.761 12.476 -2.192 1.00 20.12 C ATOM 281 ND1 HIS A 18 4.008 13.029 -2.324 1.00 74.43 N ATOM 282 CD2 HIS A 18 2.964 11.162 -1.954 1.00 22.12 C ATOM 283 CE1 HIS A 18 4.923 12.095 -2.176 1.00 52.42 C ATOM 284 NE2 HIS A 18 4.318 10.953 -1.949 1.00 70.45 N ATOM 0 H HIS A 18 1.518 11.482 -4.623 1.00 14.03 H new ATOM 0 HA HIS A 18 -0.292 13.465 -3.461 1.00 35.45 H new ATOM 0 HB2 HIS A 18 1.718 14.321 -2.112 1.00 40.33 H new ATOM 0 HB3 HIS A 18 0.820 12.954 -1.484 1.00 40.33 H new ATOM 0 HD1 HIS A 18 4.198 14.014 -2.509 1.00 74.43 H new ATOM 0 HD2 HIS A 18 2.200 10.415 -1.797 1.00 22.12 H new ATOM 0 HE1 HIS A 18 5.991 12.243 -2.232 1.00 52.42 H new ATOM 293 N SER A 19 1.258 15.368 -4.432 1.00 14.12 N ATOM 294 CA SER A 19 1.728 16.388 -5.359 1.00 51.34 C ATOM 295 C SER A 19 3.211 16.227 -5.693 1.00 10.43 C ATOM 296 O SER A 19 3.569 15.901 -6.828 1.00 71.50 O ATOM 297 CB SER A 19 1.453 17.775 -4.776 1.00 11.32 C ATOM 298 OG SER A 19 1.926 17.867 -3.439 1.00 1.10 O ATOM 0 H SER A 19 0.869 15.746 -3.568 1.00 14.12 H new ATOM 0 HA SER A 19 1.181 16.270 -6.294 1.00 51.34 H new ATOM 0 HB2 SER A 19 1.937 18.534 -5.390 1.00 11.32 H new ATOM 0 HB3 SER A 19 0.383 17.979 -4.802 1.00 11.32 H new ATOM 0 HG SER A 19 1.741 18.763 -3.087 1.00 1.10 H new ATOM 304 N GLN A 20 4.067 16.455 -4.716 1.00 1.41 N ATOM 305 CA GLN A 20 5.494 16.319 -4.926 1.00 71.20 C ATOM 306 C GLN A 20 5.917 14.854 -4.951 1.00 61.40 C ATOM 307 O GLN A 20 6.300 14.279 -3.936 1.00 23.31 O ATOM 308 CB GLN A 20 6.315 17.143 -3.906 1.00 3.32 C ATOM 309 CG GLN A 20 5.616 17.434 -2.573 1.00 24.43 C ATOM 310 CD GLN A 20 5.331 16.196 -1.754 1.00 13.23 C ATOM 311 OE1 GLN A 20 4.260 15.601 -1.861 1.00 53.40 O ATOM 312 NE2 GLN A 20 6.283 15.799 -0.936 1.00 70.24 N ATOM 0 H GLN A 20 3.800 16.734 -3.772 1.00 1.41 H new ATOM 0 HA GLN A 20 5.715 16.736 -5.909 1.00 71.20 H new ATOM 0 HB2 GLN A 20 7.244 16.611 -3.700 1.00 3.32 H new ATOM 0 HB3 GLN A 20 6.587 18.092 -4.368 1.00 3.32 H new ATOM 0 HG2 GLN A 20 6.237 18.111 -1.987 1.00 24.43 H new ATOM 0 HG3 GLN A 20 4.678 17.952 -2.770 1.00 24.43 H new ATOM 0 HE21 GLN A 20 7.157 16.322 -0.878 1.00 70.24 H new ATOM 0 HE22 GLN A 20 6.147 14.968 -0.360 1.00 70.24 H new ATOM 321 N SER A 21 5.800 14.257 -6.120 1.00 24.03 N ATOM 322 CA SER A 21 6.163 12.871 -6.339 1.00 3.12 C ATOM 323 C SER A 21 6.827 12.755 -7.703 1.00 1.30 C ATOM 324 O SER A 21 7.118 13.771 -8.341 1.00 33.22 O ATOM 325 CB SER A 21 4.905 11.988 -6.316 1.00 0.31 C ATOM 326 OG SER A 21 4.074 12.291 -5.213 1.00 22.42 O ATOM 0 H SER A 21 5.446 14.726 -6.954 1.00 24.03 H new ATOM 0 HA SER A 21 6.843 12.542 -5.553 1.00 3.12 H new ATOM 0 HB2 SER A 21 4.346 12.126 -7.242 1.00 0.31 H new ATOM 0 HB3 SER A 21 5.197 10.939 -6.274 1.00 0.31 H new ATOM 0 HG SER A 21 3.158 12.444 -5.526 1.00 22.42 H new ATOM 332 N ARG A 22 7.069 11.529 -8.153 1.00 61.31 N ATOM 333 CA ARG A 22 7.618 11.312 -9.485 1.00 61.41 C ATOM 334 C ARG A 22 6.661 11.881 -10.543 1.00 0.13 C ATOM 335 O ARG A 22 7.088 12.459 -11.543 1.00 44.22 O ATOM 336 CB ARG A 22 7.879 9.815 -9.733 1.00 33.05 C ATOM 337 CG ARG A 22 6.655 8.924 -9.552 1.00 24.41 C ATOM 338 CD ARG A 22 6.972 7.466 -9.856 1.00 32.43 C ATOM 339 NE ARG A 22 7.994 6.921 -8.961 1.00 11.04 N ATOM 340 CZ ARG A 22 8.451 5.666 -9.014 1.00 65.23 C ATOM 341 NH1 ARG A 22 7.998 4.824 -9.930 1.00 4.24 N ATOM 342 NH2 ARG A 22 9.371 5.262 -8.153 1.00 13.11 N ATOM 0 H ARG A 22 6.895 10.677 -7.620 1.00 61.31 H new ATOM 0 HA ARG A 22 8.573 11.833 -9.559 1.00 61.41 H new ATOM 0 HB2 ARG A 22 8.259 9.688 -10.747 1.00 33.05 H new ATOM 0 HB3 ARG A 22 8.662 9.478 -9.054 1.00 33.05 H new ATOM 0 HG2 ARG A 22 6.289 9.012 -8.529 1.00 24.41 H new ATOM 0 HG3 ARG A 22 5.855 9.267 -10.208 1.00 24.41 H new ATOM 0 HD2 ARG A 22 6.062 6.873 -9.768 1.00 32.43 H new ATOM 0 HD3 ARG A 22 7.312 7.378 -10.888 1.00 32.43 H new ATOM 0 HE ARG A 22 8.383 7.540 -8.250 1.00 11.04 H new ATOM 0 HH11 ARG A 22 7.295 5.131 -10.602 1.00 4.24 H new ATOM 0 HH12 ARG A 22 8.352 3.868 -9.964 1.00 4.24 H new ATOM 0 HH21 ARG A 22 9.730 5.908 -7.450 1.00 13.11 H new ATOM 0 HH22 ARG A 22 9.721 4.305 -8.192 1.00 13.11 H new ATOM 356 N ARG A 23 5.364 11.735 -10.287 1.00 53.04 N ATOM 357 CA ARG A 23 4.333 12.243 -11.174 1.00 33.12 C ATOM 358 C ARG A 23 3.008 12.366 -10.421 1.00 11.22 C ATOM 359 O ARG A 23 2.413 11.358 -10.031 1.00 44.33 O ATOM 360 CB ARG A 23 4.169 11.327 -12.390 1.00 35.44 C ATOM 361 CG ARG A 23 3.152 11.825 -13.405 1.00 63.23 C ATOM 362 CD ARG A 23 3.133 10.948 -14.645 1.00 53.21 C ATOM 363 NE ARG A 23 4.436 10.922 -15.311 1.00 53.13 N ATOM 364 CZ ARG A 23 4.636 10.524 -16.567 1.00 10.14 C ATOM 365 NH1 ARG A 23 3.619 10.090 -17.305 1.00 21.02 N ATOM 366 NH2 ARG A 23 5.855 10.553 -17.079 1.00 51.41 N ATOM 0 H ARG A 23 5.003 11.261 -9.459 1.00 53.04 H new ATOM 0 HA ARG A 23 4.633 13.230 -11.526 1.00 33.12 H new ATOM 0 HB2 ARG A 23 5.135 11.217 -12.883 1.00 35.44 H new ATOM 0 HB3 ARG A 23 3.871 10.336 -12.048 1.00 35.44 H new ATOM 0 HG2 ARG A 23 2.161 11.839 -12.952 1.00 63.23 H new ATOM 0 HG3 ARG A 23 3.389 12.851 -13.687 1.00 63.23 H new ATOM 0 HD2 ARG A 23 2.846 9.934 -14.369 1.00 53.21 H new ATOM 0 HD3 ARG A 23 2.377 11.316 -15.339 1.00 53.21 H new ATOM 0 HE ARG A 23 5.248 11.230 -14.776 1.00 53.13 H new ATOM 0 HH11 ARG A 23 2.679 10.060 -16.911 1.00 21.02 H new ATOM 0 HH12 ARG A 23 3.779 9.787 -18.266 1.00 21.02 H new ATOM 0 HH21 ARG A 23 6.638 10.879 -16.513 1.00 51.41 H new ATOM 0 HH22 ARG A 23 6.012 10.249 -18.040 1.00 51.41 H new ATOM 380 N PRO A 24 2.541 13.600 -10.191 1.00 62.22 N ATOM 381 CA PRO A 24 1.281 13.861 -9.479 1.00 74.14 C ATOM 382 C PRO A 24 0.050 13.644 -10.369 1.00 22.12 C ATOM 383 O PRO A 24 -0.752 14.559 -10.578 1.00 32.32 O ATOM 384 CB PRO A 24 1.406 15.336 -9.100 1.00 41.44 C ATOM 385 CG PRO A 24 2.241 15.929 -10.181 1.00 33.22 C ATOM 386 CD PRO A 24 3.212 14.855 -10.595 1.00 51.11 C ATOM 0 HA PRO A 24 1.139 13.190 -8.632 1.00 74.14 H new ATOM 0 HB2 PRO A 24 0.429 15.816 -9.045 1.00 41.44 H new ATOM 0 HB3 PRO A 24 1.876 15.457 -8.124 1.00 41.44 H new ATOM 0 HG2 PRO A 24 1.624 16.242 -11.023 1.00 33.22 H new ATOM 0 HG3 PRO A 24 2.768 16.815 -9.825 1.00 33.22 H new ATOM 0 HD2 PRO A 24 3.403 14.880 -11.668 1.00 51.11 H new ATOM 0 HD3 PRO A 24 4.175 14.972 -10.098 1.00 51.11 H new ATOM 394 N SER A 25 -0.097 12.434 -10.882 1.00 13.22 N ATOM 395 CA SER A 25 -1.217 12.099 -11.747 1.00 74.20 C ATOM 396 C SER A 25 -1.653 10.650 -11.531 1.00 13.13 C ATOM 397 O SER A 25 -0.817 9.733 -11.512 1.00 42.14 O ATOM 398 CB SER A 25 -0.829 12.321 -13.209 1.00 42.34 C ATOM 399 OG SER A 25 -0.331 13.637 -13.403 1.00 50.32 O ATOM 0 H SER A 25 0.549 11.663 -10.713 1.00 13.22 H new ATOM 0 HA SER A 25 -2.056 12.749 -11.497 1.00 74.20 H new ATOM 0 HB2 SER A 25 -0.073 11.594 -13.504 1.00 42.34 H new ATOM 0 HB3 SER A 25 -1.696 12.157 -13.849 1.00 42.34 H new ATOM 0 HG SER A 25 -1.075 14.275 -13.383 1.00 50.32 H new ATOM 405 N SER A 26 -2.946 10.452 -11.362 1.00 5.25 N ATOM 406 CA SER A 26 -3.512 9.133 -11.150 1.00 44.51 C ATOM 407 C SER A 26 -4.766 8.962 -12.001 1.00 70.25 C ATOM 408 O SER A 26 -5.027 9.764 -12.910 1.00 70.34 O ATOM 409 CB SER A 26 -3.875 8.965 -9.677 1.00 53.14 C ATOM 410 OG SER A 26 -4.949 9.829 -9.312 1.00 32.41 O ATOM 0 H SER A 26 -3.636 11.203 -11.368 1.00 5.25 H new ATOM 0 HA SER A 26 -2.778 8.380 -11.436 1.00 44.51 H new ATOM 0 HB2 SER A 26 -4.155 7.929 -9.484 1.00 53.14 H new ATOM 0 HB3 SER A 26 -3.004 9.180 -9.058 1.00 53.14 H new ATOM 0 HG SER A 26 -5.164 9.702 -8.364 1.00 32.41 H new ATOM 415 N TRP A 27 -5.544 7.923 -11.708 1.00 33.04 N ATOM 416 CA TRP A 27 -6.792 7.690 -12.410 1.00 2.00 C ATOM 417 C TRP A 27 -7.939 8.402 -11.699 1.00 35.12 C ATOM 418 O TRP A 27 -9.061 8.459 -12.204 1.00 54.04 O ATOM 419 CB TRP A 27 -7.085 6.185 -12.549 1.00 41.12 C ATOM 420 CG TRP A 27 -7.251 5.458 -11.246 1.00 34.12 C ATOM 421 CD1 TRP A 27 -6.263 4.915 -10.480 1.00 3.33 C ATOM 422 CD2 TRP A 27 -8.485 5.180 -10.566 1.00 74.04 C ATOM 423 NE1 TRP A 27 -6.803 4.324 -9.368 1.00 62.33 N ATOM 424 CE2 TRP A 27 -8.164 4.474 -9.395 1.00 10.53 C ATOM 425 CE3 TRP A 27 -9.827 5.465 -10.832 1.00 42.43 C ATOM 426 CZ2 TRP A 27 -9.134 4.046 -8.491 1.00 73.05 C ATOM 427 CZ3 TRP A 27 -10.788 5.040 -9.935 1.00 42.23 C ATOM 428 CH2 TRP A 27 -10.438 4.338 -8.777 1.00 55.32 C ATOM 0 H TRP A 27 -5.328 7.233 -10.989 1.00 33.04 H new ATOM 0 HA TRP A 27 -6.696 8.100 -13.416 1.00 2.00 H new ATOM 0 HB2 TRP A 27 -7.993 6.058 -13.139 1.00 41.12 H new ATOM 0 HB3 TRP A 27 -6.273 5.720 -13.109 1.00 41.12 H new ATOM 0 HD1 TRP A 27 -5.209 4.946 -10.715 1.00 3.33 H new ATOM 0 HE1 TRP A 27 -6.275 3.848 -8.636 1.00 62.33 H new ATOM 0 HE3 TRP A 27 -10.108 6.008 -11.723 1.00 42.43 H new ATOM 0 HZ2 TRP A 27 -8.865 3.503 -7.597 1.00 73.05 H new ATOM 0 HZ3 TRP A 27 -11.828 5.254 -10.132 1.00 42.23 H new ATOM 0 HH2 TRP A 27 -11.213 4.021 -8.096 1.00 55.32 H new ATOM 439 N ARG A 28 -7.652 8.942 -10.519 1.00 44.42 N ATOM 440 CA ARG A 28 -8.643 9.689 -9.766 1.00 44.14 C ATOM 441 C ARG A 28 -8.374 11.169 -9.902 1.00 42.42 C ATOM 442 O ARG A 28 -9.285 11.962 -10.157 1.00 45.40 O ATOM 443 CB ARG A 28 -8.641 9.298 -8.285 1.00 64.40 C ATOM 444 CG ARG A 28 -8.993 7.846 -8.023 1.00 31.05 C ATOM 445 CD ARG A 28 -9.292 7.606 -6.552 1.00 32.24 C ATOM 446 NE ARG A 28 -8.174 7.983 -5.686 1.00 52.13 N ATOM 447 CZ ARG A 28 -8.285 8.261 -4.387 1.00 44.44 C ATOM 448 NH1 ARG A 28 -9.477 8.269 -3.799 1.00 61.23 N ATOM 449 NH2 ARG A 28 -7.202 8.551 -3.681 1.00 25.20 N ATOM 0 H ARG A 28 -6.740 8.874 -10.067 1.00 44.42 H new ATOM 0 HA ARG A 28 -9.625 9.450 -10.174 1.00 44.14 H new ATOM 0 HB2 ARG A 28 -7.654 9.501 -7.869 1.00 64.40 H new ATOM 0 HB3 ARG A 28 -9.349 9.933 -7.752 1.00 64.40 H new ATOM 0 HG2 ARG A 28 -9.859 7.566 -8.623 1.00 31.05 H new ATOM 0 HG3 ARG A 28 -8.168 7.207 -8.337 1.00 31.05 H new ATOM 0 HD2 ARG A 28 -10.177 8.175 -6.267 1.00 32.24 H new ATOM 0 HD3 ARG A 28 -9.527 6.553 -6.399 1.00 32.24 H new ATOM 0 HE ARG A 28 -7.246 8.037 -6.105 1.00 52.13 H new ATOM 0 HH11 ARG A 28 -10.315 8.061 -4.342 1.00 61.23 H new ATOM 0 HH12 ARG A 28 -9.554 8.483 -2.805 1.00 61.23 H new ATOM 0 HH21 ARG A 28 -6.287 8.561 -4.132 1.00 25.20 H new ATOM 0 HH22 ARG A 28 -7.283 8.764 -2.687 1.00 25.20 H new ATOM 463 N GLN A 29 -7.121 11.540 -9.740 1.00 14.22 N ATOM 464 CA GLN A 29 -6.711 12.916 -9.862 1.00 44.13 C ATOM 465 C GLN A 29 -5.699 13.054 -10.982 1.00 31.33 C ATOM 466 O GLN A 29 -4.581 12.555 -10.881 1.00 72.41 O ATOM 467 CB GLN A 29 -6.097 13.416 -8.552 1.00 60.24 C ATOM 468 CG GLN A 29 -7.031 13.351 -7.355 1.00 43.22 C ATOM 469 CD GLN A 29 -8.290 14.173 -7.546 1.00 54.43 C ATOM 470 OE1 GLN A 29 -8.291 15.196 -8.241 1.00 13.44 O ATOM 471 NE2 GLN A 29 -9.365 13.737 -6.933 1.00 21.35 N ATOM 0 H GLN A 29 -6.362 10.895 -9.521 1.00 14.22 H new ATOM 0 HA GLN A 29 -7.591 13.519 -10.088 1.00 44.13 H new ATOM 0 HB2 GLN A 29 -5.206 12.827 -8.335 1.00 60.24 H new ATOM 0 HB3 GLN A 29 -5.772 14.447 -8.688 1.00 60.24 H new ATOM 0 HG2 GLN A 29 -7.305 12.312 -7.170 1.00 43.22 H new ATOM 0 HG3 GLN A 29 -6.503 13.704 -6.469 1.00 43.22 H new ATOM 0 HE21 GLN A 29 -9.322 12.888 -6.369 1.00 21.35 H new ATOM 0 HE22 GLN A 29 -10.244 14.247 -7.021 1.00 21.35 H new ATOM 480 N GLU A 30 -6.089 13.721 -12.051 1.00 73.34 N ATOM 481 CA GLU A 30 -5.192 13.933 -13.171 1.00 71.03 C ATOM 482 C GLU A 30 -4.080 14.892 -12.743 1.00 14.53 C ATOM 483 O GLU A 30 -2.967 14.866 -13.273 1.00 32.14 O ATOM 484 CB GLU A 30 -5.967 14.485 -14.369 1.00 25.25 C ATOM 485 CG GLU A 30 -5.223 14.386 -15.690 1.00 65.25 C ATOM 486 CD GLU A 30 -4.874 12.956 -16.068 1.00 11.12 C ATOM 487 OE1 GLU A 30 -5.759 12.241 -16.594 1.00 54.34 O ATOM 488 OE2 GLU A 30 -3.709 12.546 -15.862 1.00 23.11 O ATOM 0 H GLU A 30 -7.018 14.125 -12.168 1.00 73.34 H new ATOM 0 HA GLU A 30 -4.744 12.986 -13.473 1.00 71.03 H new ATOM 0 HB2 GLU A 30 -6.911 13.948 -14.455 1.00 25.25 H new ATOM 0 HB3 GLU A 30 -6.211 15.530 -14.179 1.00 25.25 H new ATOM 0 HG2 GLU A 30 -5.833 14.826 -16.479 1.00 65.25 H new ATOM 0 HG3 GLU A 30 -4.307 14.974 -15.630 1.00 65.25 H new ATOM 495 N LYS A 31 -4.400 15.725 -11.769 1.00 24.32 N ATOM 496 CA LYS A 31 -3.448 16.633 -11.176 1.00 3.25 C ATOM 497 C LYS A 31 -3.581 16.583 -9.654 1.00 14.32 C ATOM 498 O LYS A 31 -4.561 17.062 -9.084 1.00 12.12 O ATOM 499 CB LYS A 31 -3.641 18.066 -11.700 1.00 31.55 C ATOM 500 CG LYS A 31 -5.061 18.610 -11.554 1.00 60.14 C ATOM 501 CD LYS A 31 -5.136 20.084 -11.921 1.00 0.21 C ATOM 502 CE LYS A 31 -4.287 20.935 -10.984 1.00 52.53 C ATOM 503 NZ LYS A 31 -4.361 22.374 -11.322 1.00 73.01 N ATOM 0 H LYS A 31 -5.336 15.787 -11.368 1.00 24.32 H new ATOM 0 HA LYS A 31 -2.442 16.322 -11.457 1.00 3.25 H new ATOM 0 HB2 LYS A 31 -2.956 18.728 -11.170 1.00 31.55 H new ATOM 0 HB3 LYS A 31 -3.361 18.095 -12.753 1.00 31.55 H new ATOM 0 HG2 LYS A 31 -5.737 18.041 -12.192 1.00 60.14 H new ATOM 0 HG3 LYS A 31 -5.400 18.472 -10.527 1.00 60.14 H new ATOM 0 HD2 LYS A 31 -4.797 20.222 -12.948 1.00 0.21 H new ATOM 0 HD3 LYS A 31 -6.173 20.418 -11.880 1.00 0.21 H new ATOM 0 HE2 LYS A 31 -4.621 20.786 -9.957 1.00 52.53 H new ATOM 0 HE3 LYS A 31 -3.250 20.604 -11.033 1.00 52.53 H new ATOM 0 HZ1 LYS A 31 -3.770 22.917 -10.661 1.00 73.01 H new ATOM 0 HZ2 LYS A 31 -4.019 22.521 -12.293 1.00 73.01 H new ATOM 0 HZ3 LYS A 31 -5.347 22.697 -11.250 1.00 73.01 H new ATOM 517 N ILE A 32 -2.619 15.972 -9.007 1.00 72.25 N ATOM 518 CA ILE A 32 -2.654 15.823 -7.565 1.00 53.45 C ATOM 519 C ILE A 32 -2.051 17.040 -6.873 1.00 24.31 C ATOM 520 O ILE A 32 -0.878 17.364 -7.070 1.00 4.30 O ATOM 521 CB ILE A 32 -1.917 14.542 -7.121 1.00 11.52 C ATOM 522 CG1 ILE A 32 -2.509 13.329 -7.840 1.00 61.24 C ATOM 523 CG2 ILE A 32 -2.022 14.365 -5.613 1.00 34.45 C ATOM 524 CD1 ILE A 32 -1.788 12.035 -7.559 1.00 12.51 C ATOM 0 H ILE A 32 -1.797 15.567 -9.455 1.00 72.25 H new ATOM 0 HA ILE A 32 -3.700 15.740 -7.270 1.00 53.45 H new ATOM 0 HB ILE A 32 -0.863 14.632 -7.384 1.00 11.52 H new ATOM 0 HG12 ILE A 32 -3.554 13.221 -7.548 1.00 61.24 H new ATOM 0 HG13 ILE A 32 -2.495 13.514 -8.914 1.00 61.24 H new ATOM 0 HG21 ILE A 32 -1.497 13.457 -5.316 1.00 34.45 H new ATOM 0 HG22 ILE A 32 -1.573 15.224 -5.114 1.00 34.45 H new ATOM 0 HG23 ILE A 32 -3.071 14.287 -5.328 1.00 34.45 H new ATOM 0 HD11 ILE A 32 -2.269 11.224 -8.106 1.00 12.51 H new ATOM 0 HD12 ILE A 32 -0.749 12.121 -7.877 1.00 12.51 H new ATOM 0 HD13 ILE A 32 -1.824 11.823 -6.490 1.00 12.51 H new ATOM 536 N THR A 33 -2.861 17.716 -6.075 1.00 3.41 N ATOM 537 CA THR A 33 -2.426 18.902 -5.364 1.00 2.11 C ATOM 538 C THR A 33 -2.119 18.600 -3.893 1.00 54.34 C ATOM 539 O THR A 33 -1.380 19.340 -3.242 1.00 44.42 O ATOM 540 CB THR A 33 -3.491 20.012 -5.455 1.00 51.05 C ATOM 541 OG1 THR A 33 -4.788 19.468 -5.152 1.00 71.04 O ATOM 542 CG2 THR A 33 -3.512 20.621 -6.850 1.00 53.22 C ATOM 0 H THR A 33 -3.833 17.458 -5.904 1.00 3.41 H new ATOM 0 HA THR A 33 -1.507 19.244 -5.840 1.00 2.11 H new ATOM 0 HB THR A 33 -3.241 20.790 -4.734 1.00 51.05 H new ATOM 0 HG1 THR A 33 -5.462 20.177 -5.209 1.00 71.04 H new ATOM 0 HG21 THR A 33 -4.270 21.403 -6.894 1.00 53.22 H new ATOM 0 HG22 THR A 33 -2.535 21.050 -7.075 1.00 53.22 H new ATOM 0 HG23 THR A 33 -3.745 19.847 -7.581 1.00 53.22 H new ATOM 550 N ARG A 34 -2.689 17.514 -3.378 1.00 44.44 N ATOM 551 CA ARG A 34 -2.470 17.124 -1.986 1.00 54.32 C ATOM 552 C ARG A 34 -1.035 16.638 -1.778 1.00 15.41 C ATOM 553 O ARG A 34 -0.563 15.755 -2.487 1.00 30.13 O ATOM 554 CB ARG A 34 -3.474 16.037 -1.556 1.00 63.44 C ATOM 555 CG ARG A 34 -3.378 14.746 -2.357 1.00 62.42 C ATOM 556 CD ARG A 34 -4.434 13.743 -1.933 1.00 51.45 C ATOM 557 NE ARG A 34 -4.433 12.556 -2.794 1.00 42.32 N ATOM 558 CZ ARG A 34 -5.526 12.055 -3.381 1.00 64.33 C ATOM 559 NH1 ARG A 34 -6.714 12.611 -3.169 1.00 25.52 N ATOM 560 NH2 ARG A 34 -5.435 10.990 -4.164 1.00 45.20 N ATOM 0 H ARG A 34 -3.304 16.890 -3.900 1.00 44.44 H new ATOM 0 HA ARG A 34 -2.629 18.003 -1.362 1.00 54.32 H new ATOM 0 HB2 ARG A 34 -3.317 15.810 -0.502 1.00 63.44 H new ATOM 0 HB3 ARG A 34 -4.485 16.435 -1.649 1.00 63.44 H new ATOM 0 HG2 ARG A 34 -3.491 14.967 -3.418 1.00 62.42 H new ATOM 0 HG3 ARG A 34 -2.388 14.309 -2.226 1.00 62.42 H new ATOM 0 HD2 ARG A 34 -4.257 13.443 -0.900 1.00 51.45 H new ATOM 0 HD3 ARG A 34 -5.416 14.214 -1.964 1.00 51.45 H new ATOM 0 HE ARG A 34 -3.544 12.083 -2.955 1.00 42.32 H new ATOM 0 HH11 ARG A 34 -6.795 13.423 -2.557 1.00 25.52 H new ATOM 0 HH12 ARG A 34 -7.545 12.226 -3.618 1.00 25.52 H new ATOM 0 HH21 ARG A 34 -4.529 10.549 -4.321 1.00 45.20 H new ATOM 0 HH22 ARG A 34 -6.271 10.612 -4.609 1.00 45.20 H new ATOM 574 N THR A 35 -0.346 17.224 -0.820 1.00 33.42 N ATOM 575 CA THR A 35 1.024 16.842 -0.532 1.00 21.24 C ATOM 576 C THR A 35 1.064 15.552 0.303 1.00 33.43 C ATOM 577 O THR A 35 0.018 15.014 0.686 1.00 2.14 O ATOM 578 CB THR A 35 1.795 17.986 0.196 1.00 71.13 C ATOM 579 OG1 THR A 35 3.172 17.626 0.377 1.00 33.41 O ATOM 580 CG2 THR A 35 1.175 18.294 1.550 1.00 13.22 C ATOM 0 H THR A 35 -0.712 17.968 -0.226 1.00 33.42 H new ATOM 0 HA THR A 35 1.521 16.657 -1.484 1.00 21.24 H new ATOM 0 HB THR A 35 1.729 18.876 -0.430 1.00 71.13 H new ATOM 0 HG1 THR A 35 3.643 18.354 0.833 1.00 33.41 H new ATOM 0 HG21 THR A 35 1.735 19.095 2.033 1.00 13.22 H new ATOM 0 HG22 THR A 35 0.139 18.606 1.414 1.00 13.22 H new ATOM 0 HG23 THR A 35 1.206 17.402 2.176 1.00 13.22 H new ATOM 588 N LYS A 36 2.274 15.065 0.573 1.00 12.12 N ATOM 589 CA LYS A 36 2.484 13.840 1.349 1.00 2.13 C ATOM 590 C LYS A 36 1.792 13.931 2.707 1.00 53.03 C ATOM 591 O LYS A 36 1.192 12.964 3.177 1.00 52.32 O ATOM 592 CB LYS A 36 3.989 13.604 1.542 1.00 42.14 C ATOM 593 CG LYS A 36 4.339 12.378 2.378 1.00 11.31 C ATOM 594 CD LYS A 36 5.838 12.305 2.640 1.00 52.04 C ATOM 595 CE LYS A 36 6.202 11.101 3.494 1.00 15.41 C ATOM 596 NZ LYS A 36 7.660 11.045 3.784 1.00 72.44 N ATOM 0 H LYS A 36 3.138 15.508 0.260 1.00 12.12 H new ATOM 0 HA LYS A 36 2.051 13.003 0.801 1.00 2.13 H new ATOM 0 HB2 LYS A 36 4.456 13.504 0.562 1.00 42.14 H new ATOM 0 HB3 LYS A 36 4.424 14.485 2.014 1.00 42.14 H new ATOM 0 HG2 LYS A 36 3.802 12.415 3.326 1.00 11.31 H new ATOM 0 HG3 LYS A 36 4.012 11.476 1.861 1.00 11.31 H new ATOM 0 HD2 LYS A 36 6.371 12.252 1.691 1.00 52.04 H new ATOM 0 HD3 LYS A 36 6.165 13.217 3.139 1.00 52.04 H new ATOM 0 HE2 LYS A 36 5.647 11.140 4.431 1.00 15.41 H new ATOM 0 HE3 LYS A 36 5.899 10.188 2.982 1.00 15.41 H new ATOM 0 HZ1 LYS A 36 7.866 10.210 4.368 1.00 72.44 H new ATOM 0 HZ2 LYS A 36 8.189 10.982 2.891 1.00 72.44 H new ATOM 0 HZ3 LYS A 36 7.945 11.904 4.296 1.00 72.44 H new ATOM 610 N GLU A 37 1.859 15.108 3.307 1.00 2.22 N ATOM 611 CA GLU A 37 1.269 15.353 4.619 1.00 2.42 C ATOM 612 C GLU A 37 -0.249 15.175 4.595 1.00 21.52 C ATOM 613 O GLU A 37 -0.845 14.714 5.571 1.00 13.31 O ATOM 614 CB GLU A 37 1.625 16.758 5.087 1.00 24.11 C ATOM 615 CG GLU A 37 3.116 17.034 5.074 1.00 40.15 C ATOM 616 CD GLU A 37 3.448 18.443 5.484 1.00 45.31 C ATOM 617 OE1 GLU A 37 3.569 18.697 6.695 1.00 41.44 O ATOM 618 OE2 GLU A 37 3.595 19.307 4.597 1.00 65.25 O ATOM 0 H GLU A 37 2.322 15.921 2.902 1.00 2.22 H new ATOM 0 HA GLU A 37 1.676 14.621 5.316 1.00 2.42 H new ATOM 0 HB2 GLU A 37 1.122 17.485 4.449 1.00 24.11 H new ATOM 0 HB3 GLU A 37 1.244 16.904 6.098 1.00 24.11 H new ATOM 0 HG2 GLU A 37 3.617 16.337 5.746 1.00 40.15 H new ATOM 0 HG3 GLU A 37 3.507 16.849 4.074 1.00 40.15 H new ATOM 625 N GLU A 38 -0.865 15.524 3.473 1.00 23.11 N ATOM 626 CA GLU A 38 -2.310 15.416 3.327 1.00 44.43 C ATOM 627 C GLU A 38 -2.705 13.988 2.974 1.00 22.31 C ATOM 628 O GLU A 38 -3.836 13.568 3.203 1.00 44.32 O ATOM 629 CB GLU A 38 -2.813 16.377 2.249 1.00 33.12 C ATOM 630 CG GLU A 38 -2.401 17.823 2.467 1.00 54.34 C ATOM 631 CD GLU A 38 -2.824 18.360 3.814 1.00 11.21 C ATOM 632 OE1 GLU A 38 -4.013 18.697 3.977 1.00 54.34 O ATOM 633 OE2 GLU A 38 -1.968 18.451 4.718 1.00 52.02 O ATOM 0 H GLU A 38 -0.385 15.885 2.649 1.00 23.11 H new ATOM 0 HA GLU A 38 -2.770 15.683 4.279 1.00 44.43 H new ATOM 0 HB2 GLU A 38 -2.440 16.046 1.280 1.00 33.12 H new ATOM 0 HB3 GLU A 38 -3.901 16.323 2.208 1.00 33.12 H new ATOM 0 HG2 GLU A 38 -1.318 17.905 2.373 1.00 54.34 H new ATOM 0 HG3 GLU A 38 -2.837 18.442 1.682 1.00 54.34 H new ATOM 640 N ALA A 39 -1.767 13.249 2.413 1.00 73.24 N ATOM 641 CA ALA A 39 -2.008 11.868 2.041 1.00 60.35 C ATOM 642 C ALA A 39 -1.877 10.960 3.255 1.00 63.41 C ATOM 643 O ALA A 39 -2.546 9.930 3.350 1.00 41.14 O ATOM 644 CB ALA A 39 -1.041 11.439 0.946 1.00 20.53 C ATOM 0 H ALA A 39 -0.827 13.584 2.204 1.00 73.24 H new ATOM 0 HA ALA A 39 -3.025 11.784 1.657 1.00 60.35 H new ATOM 0 HB1 ALA A 39 -1.234 10.400 0.677 1.00 20.53 H new ATOM 0 HB2 ALA A 39 -1.179 12.072 0.070 1.00 20.53 H new ATOM 0 HB3 ALA A 39 -0.017 11.537 1.306 1.00 20.53 H new ATOM 650 N LEU A 40 -1.024 11.362 4.189 1.00 44.35 N ATOM 651 CA LEU A 40 -0.777 10.591 5.401 1.00 54.33 C ATOM 652 C LEU A 40 -2.052 10.426 6.230 1.00 23.13 C ATOM 653 O LEU A 40 -2.330 9.337 6.749 1.00 23.03 O ATOM 654 CB LEU A 40 0.320 11.254 6.240 1.00 54.21 C ATOM 655 CG LEU A 40 0.739 10.502 7.507 1.00 61.34 C ATOM 656 CD1 LEU A 40 1.300 9.130 7.162 1.00 31.15 C ATOM 657 CD2 LEU A 40 1.757 11.312 8.291 1.00 13.41 C ATOM 0 H LEU A 40 -0.487 12.227 4.129 1.00 44.35 H new ATOM 0 HA LEU A 40 -0.443 9.598 5.101 1.00 54.33 H new ATOM 0 HB2 LEU A 40 1.201 11.387 5.612 1.00 54.21 H new ATOM 0 HB3 LEU A 40 -0.020 12.249 6.527 1.00 54.21 H new ATOM 0 HG LEU A 40 -0.145 10.360 8.128 1.00 61.34 H new ATOM 0 HD11 LEU A 40 1.591 8.615 8.078 1.00 31.15 H new ATOM 0 HD12 LEU A 40 0.540 8.546 6.643 1.00 31.15 H new ATOM 0 HD13 LEU A 40 2.172 9.245 6.518 1.00 31.15 H new ATOM 0 HD21 LEU A 40 2.045 10.764 9.188 1.00 13.41 H new ATOM 0 HD22 LEU A 40 2.638 11.485 7.673 1.00 13.41 H new ATOM 0 HD23 LEU A 40 1.320 12.269 8.575 1.00 13.41 H new ATOM 669 N GLU A 41 -2.836 11.497 6.344 1.00 73.53 N ATOM 670 CA GLU A 41 -4.077 11.445 7.112 1.00 63.05 C ATOM 671 C GLU A 41 -5.092 10.524 6.442 1.00 73.45 C ATOM 672 O GLU A 41 -5.923 9.902 7.112 1.00 45.25 O ATOM 673 CB GLU A 41 -4.678 12.842 7.306 1.00 71.11 C ATOM 674 CG GLU A 41 -5.087 13.530 6.018 1.00 4.03 C ATOM 675 CD GLU A 41 -5.905 14.771 6.264 1.00 44.52 C ATOM 676 OE1 GLU A 41 -7.133 14.651 6.427 1.00 23.21 O ATOM 677 OE2 GLU A 41 -5.328 15.877 6.299 1.00 0.23 O ATOM 0 H GLU A 41 -2.636 12.402 5.919 1.00 73.53 H new ATOM 0 HA GLU A 41 -3.834 11.043 8.095 1.00 63.05 H new ATOM 0 HB2 GLU A 41 -5.550 12.762 7.955 1.00 71.11 H new ATOM 0 HB3 GLU A 41 -3.952 13.468 7.824 1.00 71.11 H new ATOM 0 HG2 GLU A 41 -4.194 13.793 5.451 1.00 4.03 H new ATOM 0 HG3 GLU A 41 -5.661 12.835 5.405 1.00 4.03 H new ATOM 684 N LEU A 42 -5.019 10.436 5.120 1.00 61.41 N ATOM 685 CA LEU A 42 -5.905 9.567 4.365 1.00 11.22 C ATOM 686 C LEU A 42 -5.538 8.119 4.622 1.00 30.24 C ATOM 687 O LEU A 42 -6.393 7.302 4.952 1.00 12.10 O ATOM 688 CB LEU A 42 -5.816 9.875 2.865 1.00 43.01 C ATOM 689 CG LEU A 42 -6.206 11.296 2.448 1.00 62.42 C ATOM 690 CD1 LEU A 42 -5.999 11.487 0.955 1.00 33.01 C ATOM 691 CD2 LEU A 42 -7.652 11.590 2.827 1.00 73.14 C ATOM 0 H LEU A 42 -4.353 10.958 4.550 1.00 61.41 H new ATOM 0 HA LEU A 42 -6.930 9.743 4.690 1.00 11.22 H new ATOM 0 HB2 LEU A 42 -4.794 9.689 2.536 1.00 43.01 H new ATOM 0 HB3 LEU A 42 -6.456 9.172 2.331 1.00 43.01 H new ATOM 0 HG LEU A 42 -5.563 11.998 2.980 1.00 62.42 H new ATOM 0 HD11 LEU A 42 -6.281 12.502 0.676 1.00 33.01 H new ATOM 0 HD12 LEU A 42 -4.950 11.321 0.709 1.00 33.01 H new ATOM 0 HD13 LEU A 42 -6.617 10.775 0.408 1.00 33.01 H new ATOM 0 HD21 LEU A 42 -7.909 12.604 2.522 1.00 73.14 H new ATOM 0 HD22 LEU A 42 -8.311 10.882 2.324 1.00 73.14 H new ATOM 0 HD23 LEU A 42 -7.772 11.494 3.906 1.00 73.14 H new ATOM 703 N ILE A 43 -4.245 7.826 4.497 1.00 73.30 N ATOM 704 CA ILE A 43 -3.711 6.486 4.729 1.00 30.11 C ATOM 705 C ILE A 43 -4.170 5.943 6.077 1.00 31.35 C ATOM 706 O ILE A 43 -4.783 4.877 6.152 1.00 1.41 O ATOM 707 CB ILE A 43 -2.160 6.494 4.681 1.00 32.21 C ATOM 708 CG1 ILE A 43 -1.664 6.841 3.274 1.00 74.20 C ATOM 709 CG2 ILE A 43 -1.585 5.159 5.140 1.00 12.22 C ATOM 710 CD1 ILE A 43 -2.035 5.818 2.217 1.00 54.02 C ATOM 0 H ILE A 43 -3.538 8.512 4.232 1.00 73.30 H new ATOM 0 HA ILE A 43 -4.090 5.841 3.937 1.00 30.11 H new ATOM 0 HB ILE A 43 -1.809 7.263 5.370 1.00 32.21 H new ATOM 0 HG12 ILE A 43 -2.071 7.810 2.985 1.00 74.20 H new ATOM 0 HG13 ILE A 43 -0.579 6.946 3.298 1.00 74.20 H new ATOM 0 HG21 ILE A 43 -0.497 5.197 5.095 1.00 12.22 H new ATOM 0 HG22 ILE A 43 -1.899 4.961 6.165 1.00 12.22 H new ATOM 0 HG23 ILE A 43 -1.948 4.364 4.489 1.00 12.22 H new ATOM 0 HD11 ILE A 43 -1.647 6.137 1.250 1.00 54.02 H new ATOM 0 HD12 ILE A 43 -1.605 4.851 2.479 1.00 54.02 H new ATOM 0 HD13 ILE A 43 -3.120 5.729 2.162 1.00 54.02 H new ATOM 722 N ASN A 44 -3.892 6.696 7.134 1.00 34.21 N ATOM 723 CA ASN A 44 -4.267 6.289 8.484 1.00 10.11 C ATOM 724 C ASN A 44 -5.770 6.119 8.610 1.00 10.54 C ATOM 725 O ASN A 44 -6.241 5.193 9.265 1.00 44.43 O ATOM 726 CB ASN A 44 -3.765 7.294 9.525 1.00 54.41 C ATOM 727 CG ASN A 44 -2.269 7.206 9.763 1.00 41.20 C ATOM 728 OD1 ASN A 44 -1.808 6.436 10.603 1.00 63.30 O ATOM 729 ND2 ASN A 44 -1.501 7.995 9.034 1.00 63.51 N ATOM 0 H ASN A 44 -3.408 7.592 7.083 1.00 34.21 H new ATOM 0 HA ASN A 44 -3.793 5.326 8.674 1.00 10.11 H new ATOM 0 HB2 ASN A 44 -4.016 8.303 9.198 1.00 54.41 H new ATOM 0 HB3 ASN A 44 -4.287 7.125 10.467 1.00 54.41 H new ATOM 0 HD21 ASN A 44 -0.489 7.978 9.159 1.00 63.51 H new ATOM 0 HD22 ASN A 44 -1.920 8.621 8.346 1.00 63.51 H new ATOM 736 N GLY A 45 -6.517 7.005 7.960 1.00 11.05 N ATOM 737 CA GLY A 45 -7.965 6.947 8.015 1.00 44.03 C ATOM 738 C GLY A 45 -8.515 5.645 7.473 1.00 55.30 C ATOM 739 O GLY A 45 -9.365 5.011 8.107 1.00 22.33 O ATOM 0 H GLY A 45 -6.142 7.766 7.393 1.00 11.05 H new ATOM 0 HA2 GLY A 45 -8.291 7.074 9.047 1.00 44.03 H new ATOM 0 HA3 GLY A 45 -8.380 7.778 7.445 1.00 44.03 H new ATOM 743 N TYR A 46 -8.023 5.233 6.313 1.00 64.11 N ATOM 744 CA TYR A 46 -8.474 3.995 5.697 1.00 45.02 C ATOM 745 C TYR A 46 -8.065 2.794 6.538 1.00 70.41 C ATOM 746 O TYR A 46 -8.844 1.856 6.712 1.00 23.23 O ATOM 747 CB TYR A 46 -7.944 3.870 4.263 1.00 4.23 C ATOM 748 CG TYR A 46 -8.402 4.998 3.363 1.00 33.15 C ATOM 749 CD1 TYR A 46 -9.749 5.319 3.255 1.00 61.50 C ATOM 750 CD2 TYR A 46 -7.490 5.749 2.632 1.00 11.44 C ATOM 751 CE1 TYR A 46 -10.175 6.355 2.451 1.00 34.21 C ATOM 752 CE2 TYR A 46 -7.910 6.788 1.821 1.00 0.23 C ATOM 753 CZ TYR A 46 -9.253 7.086 1.736 1.00 73.32 C ATOM 754 OH TYR A 46 -9.677 8.125 0.938 1.00 61.43 O ATOM 0 H TYR A 46 -7.313 5.737 5.781 1.00 64.11 H new ATOM 0 HA TYR A 46 -9.563 4.018 5.649 1.00 45.02 H new ATOM 0 HB2 TYR A 46 -6.854 3.849 4.285 1.00 4.23 H new ATOM 0 HB3 TYR A 46 -8.273 2.920 3.842 1.00 4.23 H new ATOM 0 HD1 TYR A 46 -10.476 4.746 3.811 1.00 61.50 H new ATOM 0 HD2 TYR A 46 -6.437 5.518 2.698 1.00 11.44 H new ATOM 0 HE1 TYR A 46 -11.226 6.592 2.382 1.00 34.21 H new ATOM 0 HE2 TYR A 46 -7.190 7.362 1.258 1.00 0.23 H new ATOM 0 HH TYR A 46 -10.302 7.786 0.264 1.00 61.43 H new ATOM 764 N ILE A 47 -6.848 2.842 7.083 1.00 11.02 N ATOM 765 CA ILE A 47 -6.348 1.775 7.949 1.00 72.13 C ATOM 766 C ILE A 47 -7.284 1.569 9.143 1.00 75.45 C ATOM 767 O ILE A 47 -7.596 0.432 9.518 1.00 54.01 O ATOM 768 CB ILE A 47 -4.913 2.084 8.465 1.00 62.51 C ATOM 769 CG1 ILE A 47 -3.918 2.105 7.299 1.00 33.33 C ATOM 770 CG2 ILE A 47 -4.481 1.068 9.519 1.00 30.03 C ATOM 771 CD1 ILE A 47 -2.498 2.444 7.709 1.00 45.14 C ATOM 0 H ILE A 47 -6.191 3.609 6.939 1.00 11.02 H new ATOM 0 HA ILE A 47 -6.312 0.863 7.353 1.00 72.13 H new ATOM 0 HB ILE A 47 -4.924 3.070 8.930 1.00 62.51 H new ATOM 0 HG12 ILE A 47 -3.922 1.129 6.813 1.00 33.33 H new ATOM 0 HG13 ILE A 47 -4.255 2.831 6.559 1.00 33.33 H new ATOM 0 HG21 ILE A 47 -3.475 1.306 9.863 1.00 30.03 H new ATOM 0 HG22 ILE A 47 -5.171 1.103 10.362 1.00 30.03 H new ATOM 0 HG23 ILE A 47 -4.489 0.068 9.085 1.00 30.03 H new ATOM 0 HD11 ILE A 47 -1.854 2.439 6.829 1.00 45.14 H new ATOM 0 HD12 ILE A 47 -2.478 3.433 8.168 1.00 45.14 H new ATOM 0 HD13 ILE A 47 -2.140 1.704 8.425 1.00 45.14 H new ATOM 783 N GLN A 48 -7.749 2.674 9.721 1.00 34.21 N ATOM 784 CA GLN A 48 -8.650 2.614 10.867 1.00 24.31 C ATOM 785 C GLN A 48 -9.953 1.907 10.499 1.00 30.22 C ATOM 786 O GLN A 48 -10.470 1.107 11.273 1.00 41.31 O ATOM 787 CB GLN A 48 -8.961 4.018 11.417 1.00 51.55 C ATOM 788 CG GLN A 48 -7.737 4.834 11.821 1.00 33.14 C ATOM 789 CD GLN A 48 -6.788 4.087 12.742 1.00 63.21 C ATOM 790 OE1 GLN A 48 -7.194 3.212 13.505 1.00 11.11 O ATOM 791 NE2 GLN A 48 -5.516 4.437 12.686 1.00 40.03 N ATOM 0 H GLN A 48 -7.517 3.619 9.415 1.00 34.21 H new ATOM 0 HA GLN A 48 -8.141 2.044 11.645 1.00 24.31 H new ATOM 0 HB2 GLN A 48 -9.517 4.573 10.662 1.00 51.55 H new ATOM 0 HB3 GLN A 48 -9.614 3.917 12.284 1.00 51.55 H new ATOM 0 HG2 GLN A 48 -7.198 5.134 10.923 1.00 33.14 H new ATOM 0 HG3 GLN A 48 -8.066 5.748 12.315 1.00 33.14 H new ATOM 0 HE21 GLN A 48 -5.216 5.167 12.040 1.00 40.03 H new ATOM 0 HE22 GLN A 48 -4.833 3.977 13.288 1.00 40.03 H new ATOM 800 N LYS A 49 -10.461 2.184 9.300 1.00 2.24 N ATOM 801 CA LYS A 49 -11.720 1.596 8.840 1.00 11.51 C ATOM 802 C LYS A 49 -11.576 0.098 8.590 1.00 32.24 C ATOM 803 O LYS A 49 -12.499 -0.679 8.865 1.00 34.24 O ATOM 804 CB LYS A 49 -12.213 2.299 7.572 1.00 13.12 C ATOM 805 CG LYS A 49 -12.424 3.799 7.739 1.00 0.42 C ATOM 806 CD LYS A 49 -13.507 4.117 8.767 1.00 5.10 C ATOM 807 CE LYS A 49 -14.897 3.749 8.261 1.00 51.43 C ATOM 808 NZ LYS A 49 -15.951 4.055 9.263 1.00 65.31 N ATOM 0 H LYS A 49 -10.021 2.812 8.628 1.00 2.24 H new ATOM 0 HA LYS A 49 -12.458 1.737 9.630 1.00 11.51 H new ATOM 0 HB2 LYS A 49 -11.493 2.130 6.772 1.00 13.12 H new ATOM 0 HB3 LYS A 49 -13.152 1.843 7.257 1.00 13.12 H new ATOM 0 HG2 LYS A 49 -11.487 4.264 8.045 1.00 0.42 H new ATOM 0 HG3 LYS A 49 -12.698 4.235 6.778 1.00 0.42 H new ATOM 0 HD2 LYS A 49 -13.302 3.575 9.690 1.00 5.10 H new ATOM 0 HD3 LYS A 49 -13.478 5.180 9.008 1.00 5.10 H new ATOM 0 HE2 LYS A 49 -15.104 4.293 7.339 1.00 51.43 H new ATOM 0 HE3 LYS A 49 -14.925 2.687 8.017 1.00 51.43 H new ATOM 0 HZ1 LYS A 49 -16.879 3.774 8.887 1.00 65.31 H new ATOM 0 HZ2 LYS A 49 -15.759 3.530 10.140 1.00 65.31 H new ATOM 0 HZ3 LYS A 49 -15.953 5.075 9.464 1.00 65.31 H new ATOM 822 N ILE A 50 -10.418 -0.303 8.079 1.00 11.21 N ATOM 823 CA ILE A 50 -10.146 -1.711 7.804 1.00 41.52 C ATOM 824 C ILE A 50 -10.056 -2.507 9.105 1.00 41.45 C ATOM 825 O ILE A 50 -10.649 -3.578 9.235 1.00 32.54 O ATOM 826 CB ILE A 50 -8.837 -1.891 6.993 1.00 44.41 C ATOM 827 CG1 ILE A 50 -8.922 -1.116 5.674 1.00 24.25 C ATOM 828 CG2 ILE A 50 -8.570 -3.372 6.725 1.00 52.51 C ATOM 829 CD1 ILE A 50 -7.643 -1.136 4.865 1.00 65.14 C ATOM 0 H ILE A 50 -9.650 0.327 7.846 1.00 11.21 H new ATOM 0 HA ILE A 50 -10.975 -2.089 7.206 1.00 41.52 H new ATOM 0 HB ILE A 50 -8.008 -1.494 7.579 1.00 44.41 H new ATOM 0 HG12 ILE A 50 -9.728 -1.533 5.071 1.00 24.25 H new ATOM 0 HG13 ILE A 50 -9.188 -0.081 5.889 1.00 24.25 H new ATOM 0 HG21 ILE A 50 -7.647 -3.478 6.155 1.00 52.51 H new ATOM 0 HG22 ILE A 50 -8.474 -3.902 7.673 1.00 52.51 H new ATOM 0 HG23 ILE A 50 -9.399 -3.794 6.156 1.00 52.51 H new ATOM 0 HD11 ILE A 50 -7.784 -0.566 3.947 1.00 65.14 H new ATOM 0 HD12 ILE A 50 -6.837 -0.691 5.448 1.00 65.14 H new ATOM 0 HD13 ILE A 50 -7.386 -2.166 4.617 1.00 65.14 H new ATOM 841 N LYS A 51 -9.331 -1.965 10.076 1.00 73.01 N ATOM 842 CA LYS A 51 -9.180 -2.622 11.373 1.00 4.42 C ATOM 843 C LYS A 51 -10.473 -2.536 12.186 1.00 60.10 C ATOM 844 O LYS A 51 -10.691 -3.315 13.114 1.00 73.24 O ATOM 845 CB LYS A 51 -8.007 -2.019 12.153 1.00 32.24 C ATOM 846 CG LYS A 51 -6.652 -2.268 11.503 1.00 34.13 C ATOM 847 CD LYS A 51 -5.517 -1.656 12.312 1.00 4.34 C ATOM 848 CE LYS A 51 -4.163 -1.956 11.682 1.00 4.44 C ATOM 849 NZ LYS A 51 -3.044 -1.345 12.442 1.00 41.22 N ATOM 0 H LYS A 51 -8.839 -1.075 9.993 1.00 73.01 H new ATOM 0 HA LYS A 51 -8.966 -3.676 11.194 1.00 4.42 H new ATOM 0 HB2 LYS A 51 -8.161 -0.945 12.252 1.00 32.24 H new ATOM 0 HB3 LYS A 51 -7.999 -2.434 13.161 1.00 32.24 H new ATOM 0 HG2 LYS A 51 -6.489 -3.341 11.402 1.00 34.13 H new ATOM 0 HG3 LYS A 51 -6.649 -1.849 10.497 1.00 34.13 H new ATOM 0 HD2 LYS A 51 -5.657 -0.577 12.381 1.00 4.34 H new ATOM 0 HD3 LYS A 51 -5.541 -2.046 13.329 1.00 4.34 H new ATOM 0 HE2 LYS A 51 -4.019 -3.035 11.631 1.00 4.44 H new ATOM 0 HE3 LYS A 51 -4.150 -1.584 10.658 1.00 4.44 H new ATOM 0 HZ1 LYS A 51 -2.142 -1.575 11.977 1.00 41.22 H new ATOM 0 HZ2 LYS A 51 -3.166 -0.313 12.469 1.00 41.22 H new ATOM 0 HZ3 LYS A 51 -3.039 -1.719 13.412 1.00 41.22 H new ATOM 863 N SER A 52 -11.328 -1.587 11.822 1.00 3.24 N ATOM 864 CA SER A 52 -12.615 -1.408 12.479 1.00 15.41 C ATOM 865 C SER A 52 -13.540 -2.580 12.152 1.00 34.03 C ATOM 866 O SER A 52 -14.335 -3.016 12.989 1.00 62.33 O ATOM 867 CB SER A 52 -13.252 -0.078 12.028 1.00 13.13 C ATOM 868 OG SER A 52 -14.524 0.132 12.620 1.00 70.02 O ATOM 0 H SER A 52 -11.149 -0.924 11.068 1.00 3.24 H new ATOM 0 HA SER A 52 -12.464 -1.377 13.558 1.00 15.41 H new ATOM 0 HB2 SER A 52 -12.590 0.748 12.290 1.00 13.13 H new ATOM 0 HB3 SER A 52 -13.353 -0.074 10.943 1.00 13.13 H new ATOM 0 HG SER A 52 -15.021 0.798 12.100 1.00 70.02 H new ATOM 874 N GLY A 53 -13.414 -3.098 10.937 1.00 24.43 N ATOM 875 CA GLY A 53 -14.251 -4.197 10.508 1.00 43.30 C ATOM 876 C GLY A 53 -15.317 -3.742 9.542 1.00 64.05 C ATOM 877 O GLY A 53 -16.010 -4.559 8.932 1.00 25.24 O ATOM 0 H GLY A 53 -12.744 -2.774 10.240 1.00 24.43 H new ATOM 0 HA2 GLY A 53 -13.634 -4.962 10.036 1.00 43.30 H new ATOM 0 HA3 GLY A 53 -14.720 -4.658 11.377 1.00 43.30 H new ATOM 881 N GLU A 54 -15.437 -2.434 9.396 1.00 14.11 N ATOM 882 CA GLU A 54 -16.426 -1.842 8.514 1.00 4.44 C ATOM 883 C GLU A 54 -16.040 -2.040 7.057 1.00 51.33 C ATOM 884 O GLU A 54 -16.753 -2.698 6.297 1.00 43.10 O ATOM 885 CB GLU A 54 -16.562 -0.355 8.814 1.00 72.24 C ATOM 886 CG GLU A 54 -16.970 -0.055 10.242 1.00 34.21 C ATOM 887 CD GLU A 54 -16.943 1.418 10.540 1.00 14.14 C ATOM 888 OE1 GLU A 54 -17.957 2.096 10.291 1.00 22.25 O ATOM 889 OE2 GLU A 54 -15.893 1.914 11.004 1.00 62.31 O ATOM 0 H GLU A 54 -14.853 -1.755 9.884 1.00 14.11 H new ATOM 0 HA GLU A 54 -17.382 -2.337 8.688 1.00 4.44 H new ATOM 0 HB2 GLU A 54 -15.612 0.137 8.606 1.00 72.24 H new ATOM 0 HB3 GLU A 54 -17.299 0.077 8.137 1.00 72.24 H new ATOM 0 HG2 GLU A 54 -17.973 -0.442 10.421 1.00 34.21 H new ATOM 0 HG3 GLU A 54 -16.300 -0.575 10.927 1.00 34.21 H new ATOM 896 N GLU A 55 -14.904 -1.484 6.680 1.00 32.45 N ATOM 897 CA GLU A 55 -14.427 -1.574 5.313 1.00 44.41 C ATOM 898 C GLU A 55 -13.310 -2.594 5.218 1.00 21.32 C ATOM 899 O GLU A 55 -12.566 -2.798 6.178 1.00 43.13 O ATOM 900 CB GLU A 55 -13.920 -0.214 4.835 1.00 40.44 C ATOM 901 CG GLU A 55 -14.935 0.912 4.953 1.00 60.42 C ATOM 902 CD GLU A 55 -16.207 0.639 4.186 1.00 25.23 C ATOM 903 OE1 GLU A 55 -16.223 0.831 2.945 1.00 12.41 O ATOM 904 OE2 GLU A 55 -17.201 0.243 4.813 1.00 24.11 O ATOM 0 H GLU A 55 -14.291 -0.962 7.306 1.00 32.45 H new ATOM 0 HA GLU A 55 -15.256 -1.887 4.678 1.00 44.41 H new ATOM 0 HB2 GLU A 55 -13.033 0.052 5.409 1.00 40.44 H new ATOM 0 HB3 GLU A 55 -13.611 -0.301 3.793 1.00 40.44 H new ATOM 0 HG2 GLU A 55 -15.177 1.068 6.004 1.00 60.42 H new ATOM 0 HG3 GLU A 55 -14.488 1.837 4.588 1.00 60.42 H new ATOM 911 N ASP A 56 -13.199 -3.240 4.078 1.00 60.52 N ATOM 912 CA ASP A 56 -12.150 -4.219 3.866 1.00 31.20 C ATOM 913 C ASP A 56 -11.017 -3.590 3.054 1.00 42.20 C ATOM 914 O ASP A 56 -11.167 -2.480 2.532 1.00 32.34 O ATOM 915 CB ASP A 56 -12.706 -5.457 3.156 1.00 12.10 C ATOM 916 CG ASP A 56 -11.827 -6.674 3.337 1.00 13.51 C ATOM 917 OD1 ASP A 56 -10.830 -6.807 2.606 1.00 23.11 O ATOM 918 OD2 ASP A 56 -12.131 -7.504 4.219 1.00 12.33 O ATOM 0 H ASP A 56 -13.822 -3.106 3.281 1.00 60.52 H new ATOM 0 HA ASP A 56 -11.757 -4.536 4.832 1.00 31.20 H new ATOM 0 HB2 ASP A 56 -13.703 -5.674 3.538 1.00 12.10 H new ATOM 0 HB3 ASP A 56 -12.812 -5.245 2.092 1.00 12.10 H new ATOM 923 N PHE A 57 -9.905 -4.296 2.929 1.00 30.43 N ATOM 924 CA PHE A 57 -8.739 -3.768 2.243 1.00 75.05 C ATOM 925 C PHE A 57 -8.983 -3.644 0.745 1.00 12.12 C ATOM 926 O PHE A 57 -8.984 -2.538 0.209 1.00 43.44 O ATOM 927 CB PHE A 57 -7.511 -4.637 2.505 1.00 44.04 C ATOM 928 CG PHE A 57 -6.230 -4.019 2.021 1.00 34.24 C ATOM 929 CD1 PHE A 57 -5.837 -4.143 0.699 1.00 23.00 C ATOM 930 CD2 PHE A 57 -5.424 -3.305 2.888 1.00 65.53 C ATOM 931 CE1 PHE A 57 -4.668 -3.567 0.255 1.00 51.05 C ATOM 932 CE2 PHE A 57 -4.253 -2.730 2.448 1.00 34.33 C ATOM 933 CZ PHE A 57 -3.876 -2.861 1.131 1.00 10.53 C ATOM 0 H PHE A 57 -9.786 -5.240 3.296 1.00 30.43 H new ATOM 0 HA PHE A 57 -8.553 -2.771 2.641 1.00 75.05 H new ATOM 0 HB2 PHE A 57 -7.432 -4.829 3.575 1.00 44.04 H new ATOM 0 HB3 PHE A 57 -7.647 -5.602 2.018 1.00 44.04 H new ATOM 0 HD1 PHE A 57 -6.455 -4.698 0.008 1.00 23.00 H new ATOM 0 HD2 PHE A 57 -5.716 -3.197 3.922 1.00 65.53 H new ATOM 0 HE1 PHE A 57 -4.373 -3.669 -0.779 1.00 51.05 H new ATOM 0 HE2 PHE A 57 -3.631 -2.177 3.136 1.00 34.33 H new ATOM 0 HZ PHE A 57 -2.958 -2.409 0.785 1.00 10.53 H new ATOM 943 N GLU A 58 -9.193 -4.784 0.072 1.00 4.41 N ATOM 944 CA GLU A 58 -9.427 -4.799 -1.381 1.00 53.31 C ATOM 945 C GLU A 58 -10.560 -3.859 -1.776 1.00 62.32 C ATOM 946 O GLU A 58 -10.572 -3.312 -2.880 1.00 41.04 O ATOM 947 CB GLU A 58 -9.728 -6.218 -1.893 1.00 53.42 C ATOM 948 CG GLU A 58 -8.541 -7.174 -1.861 1.00 60.41 C ATOM 949 CD GLU A 58 -8.349 -7.836 -0.517 1.00 4.45 C ATOM 950 OE1 GLU A 58 -7.720 -7.232 0.365 1.00 72.41 O ATOM 951 OE2 GLU A 58 -8.842 -8.973 -0.338 1.00 11.01 O ATOM 0 H GLU A 58 -9.206 -5.706 0.508 1.00 4.41 H new ATOM 0 HA GLU A 58 -8.506 -4.450 -1.848 1.00 53.31 H new ATOM 0 HB2 GLU A 58 -10.534 -6.642 -1.294 1.00 53.42 H new ATOM 0 HB3 GLU A 58 -10.094 -6.150 -2.917 1.00 53.42 H new ATOM 0 HG2 GLU A 58 -8.681 -7.943 -2.621 1.00 60.41 H new ATOM 0 HG3 GLU A 58 -7.635 -6.628 -2.123 1.00 60.41 H new ATOM 958 N SER A 59 -11.504 -3.674 -0.872 1.00 12.33 N ATOM 959 CA SER A 59 -12.619 -2.791 -1.110 1.00 10.32 C ATOM 960 C SER A 59 -12.144 -1.340 -1.238 1.00 13.34 C ATOM 961 O SER A 59 -12.421 -0.669 -2.238 1.00 34.41 O ATOM 962 CB SER A 59 -13.624 -2.924 0.023 1.00 15.32 C ATOM 963 OG SER A 59 -13.943 -4.289 0.256 1.00 62.01 O ATOM 0 H SER A 59 -11.516 -4.130 0.040 1.00 12.33 H new ATOM 0 HA SER A 59 -13.098 -3.072 -2.048 1.00 10.32 H new ATOM 0 HB2 SER A 59 -13.216 -2.481 0.931 1.00 15.32 H new ATOM 0 HB3 SER A 59 -14.531 -2.371 -0.222 1.00 15.32 H new ATOM 0 HG SER A 59 -14.460 -4.367 1.085 1.00 62.01 H new ATOM 969 N LEU A 60 -11.404 -0.874 -0.240 1.00 11.12 N ATOM 970 CA LEU A 60 -10.907 0.493 -0.234 1.00 12.51 C ATOM 971 C LEU A 60 -9.801 0.678 -1.261 1.00 72.13 C ATOM 972 O LEU A 60 -9.710 1.720 -1.900 1.00 1.13 O ATOM 973 CB LEU A 60 -10.396 0.882 1.156 1.00 13.13 C ATOM 974 CG LEU A 60 -11.432 0.863 2.282 1.00 31.34 C ATOM 975 CD1 LEU A 60 -10.797 1.293 3.592 1.00 22.54 C ATOM 976 CD2 LEU A 60 -12.613 1.760 1.942 1.00 11.53 C ATOM 0 H LEU A 60 -11.135 -1.424 0.576 1.00 11.12 H new ATOM 0 HA LEU A 60 -11.739 1.146 -0.498 1.00 12.51 H new ATOM 0 HB2 LEU A 60 -9.584 0.206 1.425 1.00 13.13 H new ATOM 0 HB3 LEU A 60 -9.971 1.884 1.098 1.00 13.13 H new ATOM 0 HG LEU A 60 -11.800 -0.157 2.393 1.00 31.34 H new ATOM 0 HD11 LEU A 60 -11.547 1.274 4.383 1.00 22.54 H new ATOM 0 HD12 LEU A 60 -9.986 0.610 3.845 1.00 22.54 H new ATOM 0 HD13 LEU A 60 -10.402 2.304 3.490 1.00 22.54 H new ATOM 0 HD21 LEU A 60 -13.338 1.732 2.756 1.00 11.53 H new ATOM 0 HD22 LEU A 60 -12.264 2.783 1.802 1.00 11.53 H new ATOM 0 HD23 LEU A 60 -13.084 1.409 1.024 1.00 11.53 H new ATOM 988 N ALA A 61 -8.980 -0.345 -1.429 1.00 34.50 N ATOM 989 CA ALA A 61 -7.855 -0.289 -2.357 1.00 54.33 C ATOM 990 C ALA A 61 -8.314 -0.177 -3.808 1.00 15.52 C ATOM 991 O ALA A 61 -7.574 0.289 -4.661 1.00 33.10 O ATOM 992 CB ALA A 61 -6.956 -1.502 -2.176 1.00 60.42 C ATOM 0 H ALA A 61 -9.070 -1.232 -0.933 1.00 34.50 H new ATOM 0 HA ALA A 61 -7.287 0.612 -2.125 1.00 54.33 H new ATOM 0 HB1 ALA A 61 -6.122 -1.445 -2.876 1.00 60.42 H new ATOM 0 HB2 ALA A 61 -6.573 -1.522 -1.156 1.00 60.42 H new ATOM 0 HB3 ALA A 61 -7.528 -2.410 -2.367 1.00 60.42 H new ATOM 998 N SER A 62 -9.533 -0.593 -4.081 1.00 71.00 N ATOM 999 CA SER A 62 -10.051 -0.536 -5.432 1.00 2.03 C ATOM 1000 C SER A 62 -10.720 0.816 -5.708 1.00 1.53 C ATOM 1001 O SER A 62 -10.974 1.170 -6.861 1.00 30.43 O ATOM 1002 CB SER A 62 -11.048 -1.678 -5.665 1.00 63.22 C ATOM 1003 OG SER A 62 -11.247 -1.913 -7.054 1.00 43.12 O ATOM 0 H SER A 62 -10.180 -0.972 -3.390 1.00 71.00 H new ATOM 0 HA SER A 62 -9.215 -0.648 -6.122 1.00 2.03 H new ATOM 0 HB2 SER A 62 -10.681 -2.587 -5.189 1.00 63.22 H new ATOM 0 HB3 SER A 62 -12.001 -1.434 -5.195 1.00 63.22 H new ATOM 0 HG SER A 62 -10.404 -1.772 -7.534 1.00 43.12 H new ATOM 1009 N GLN A 63 -10.996 1.572 -4.654 1.00 1.30 N ATOM 1010 CA GLN A 63 -11.693 2.844 -4.807 1.00 12.11 C ATOM 1011 C GLN A 63 -10.842 4.050 -4.410 1.00 63.33 C ATOM 1012 O GLN A 63 -10.841 5.067 -5.101 1.00 12.13 O ATOM 1013 CB GLN A 63 -12.985 2.849 -3.993 1.00 12.34 C ATOM 1014 CG GLN A 63 -14.052 1.895 -4.508 1.00 34.41 C ATOM 1015 CD GLN A 63 -15.389 2.091 -3.817 1.00 11.20 C ATOM 1016 OE1 GLN A 63 -15.354 2.497 -2.563 1.00 74.00 O flip ATOM 1017 NE2 GLN A 63 -16.445 1.879 -4.411 1.00 54.14 N flip ATOM 0 H GLN A 63 -10.752 1.331 -3.693 1.00 1.30 H new ATOM 0 HA GLN A 63 -11.916 2.939 -5.870 1.00 12.11 H new ATOM 0 HB2 GLN A 63 -12.751 2.591 -2.960 1.00 12.34 H new ATOM 0 HB3 GLN A 63 -13.392 3.860 -3.985 1.00 12.34 H new ATOM 0 HG2 GLN A 63 -14.177 2.039 -5.581 1.00 34.41 H new ATOM 0 HG3 GLN A 63 -13.718 0.868 -4.361 1.00 34.41 H new ATOM 0 HE21 GLN A 63 -16.430 1.566 -5.382 1.00 54.14 H new ATOM 0 HE22 GLN A 63 -17.336 2.017 -3.933 1.00 54.14 H new ATOM 1026 N PHE A 64 -10.125 3.938 -3.310 1.00 4.04 N ATOM 1027 CA PHE A 64 -9.393 5.073 -2.767 1.00 5.34 C ATOM 1028 C PHE A 64 -7.891 4.971 -2.989 1.00 62.31 C ATOM 1029 O PHE A 64 -7.113 5.632 -2.306 1.00 12.44 O ATOM 1030 CB PHE A 64 -9.702 5.229 -1.280 1.00 51.01 C ATOM 1031 CG PHE A 64 -11.161 5.448 -0.993 1.00 42.31 C ATOM 1032 CD1 PHE A 64 -11.743 6.689 -1.202 1.00 23.33 C ATOM 1033 CD2 PHE A 64 -11.952 4.414 -0.521 1.00 23.42 C ATOM 1034 CE1 PHE A 64 -13.084 6.893 -0.944 1.00 52.54 C ATOM 1035 CE2 PHE A 64 -13.294 4.612 -0.261 1.00 64.32 C ATOM 1036 CZ PHE A 64 -13.860 5.852 -0.473 1.00 50.13 C ATOM 0 H PHE A 64 -10.031 3.076 -2.773 1.00 4.04 H new ATOM 0 HA PHE A 64 -9.728 5.958 -3.308 1.00 5.34 H new ATOM 0 HB2 PHE A 64 -9.365 4.337 -0.751 1.00 51.01 H new ATOM 0 HB3 PHE A 64 -9.131 6.069 -0.884 1.00 51.01 H new ATOM 0 HD1 PHE A 64 -11.140 7.506 -1.571 1.00 23.33 H new ATOM 0 HD2 PHE A 64 -11.514 3.441 -0.354 1.00 23.42 H new ATOM 0 HE1 PHE A 64 -13.525 7.865 -1.110 1.00 52.54 H new ATOM 0 HE2 PHE A 64 -13.899 3.797 0.108 1.00 64.32 H new ATOM 0 HZ PHE A 64 -14.909 6.009 -0.271 1.00 50.13 H new ATOM 1046 N SER A 65 -7.483 4.162 -3.938 1.00 30.44 N ATOM 1047 CA SER A 65 -6.081 4.057 -4.256 1.00 12.12 C ATOM 1048 C SER A 65 -5.817 4.707 -5.603 1.00 41.50 C ATOM 1049 O SER A 65 -6.543 4.474 -6.561 1.00 64.14 O ATOM 1050 CB SER A 65 -5.621 2.599 -4.262 1.00 2.11 C ATOM 1051 OG SER A 65 -4.206 2.513 -4.349 1.00 44.05 O ATOM 0 H SER A 65 -8.097 3.572 -4.499 1.00 30.44 H new ATOM 0 HA SER A 65 -5.510 4.577 -3.487 1.00 12.12 H new ATOM 0 HB2 SER A 65 -5.964 2.102 -3.355 1.00 2.11 H new ATOM 0 HB3 SER A 65 -6.073 2.074 -5.104 1.00 2.11 H new ATOM 0 HG SER A 65 -3.813 3.393 -4.171 1.00 44.05 H new ATOM 1057 N ASP A 66 -4.779 5.520 -5.666 1.00 75.01 N ATOM 1058 CA ASP A 66 -4.432 6.240 -6.891 1.00 2.42 C ATOM 1059 C ASP A 66 -3.606 5.369 -7.812 1.00 32.21 C ATOM 1060 O ASP A 66 -3.267 5.766 -8.926 1.00 33.24 O ATOM 1061 CB ASP A 66 -3.643 7.504 -6.562 1.00 33.33 C ATOM 1062 CG ASP A 66 -4.384 8.445 -5.656 1.00 32.40 C ATOM 1063 OD1 ASP A 66 -5.582 8.676 -5.886 1.00 4.34 O ATOM 1064 OD2 ASP A 66 -3.774 8.948 -4.693 1.00 61.42 O ATOM 0 H ASP A 66 -4.154 5.703 -4.881 1.00 75.01 H new ATOM 0 HA ASP A 66 -5.362 6.510 -7.391 1.00 2.42 H new ATOM 0 HB2 ASP A 66 -2.700 7.224 -6.092 1.00 33.33 H new ATOM 0 HB3 ASP A 66 -3.396 8.022 -7.489 1.00 33.33 H new ATOM 1069 N ASP A 67 -3.281 4.189 -7.341 1.00 44.11 N ATOM 1070 CA ASP A 67 -2.454 3.258 -8.086 1.00 42.13 C ATOM 1071 C ASP A 67 -3.277 2.536 -9.146 1.00 74.05 C ATOM 1072 O ASP A 67 -4.483 2.348 -8.984 1.00 0.23 O ATOM 1073 CB ASP A 67 -1.826 2.252 -7.114 1.00 51.34 C ATOM 1074 CG ASP A 67 -0.809 1.334 -7.756 1.00 21.21 C ATOM 1075 OD1 ASP A 67 -0.310 1.661 -8.842 1.00 15.12 O ATOM 1076 OD2 ASP A 67 -0.494 0.285 -7.157 1.00 53.52 O ATOM 0 H ASP A 67 -3.581 3.843 -6.430 1.00 44.11 H new ATOM 0 HA ASP A 67 -1.664 3.809 -8.596 1.00 42.13 H new ATOM 0 HB2 ASP A 67 -1.347 2.797 -6.301 1.00 51.34 H new ATOM 0 HB3 ASP A 67 -2.617 1.648 -6.670 1.00 51.34 H new ATOM 1081 N SER A 68 -2.619 2.122 -10.223 1.00 23.32 N ATOM 1082 CA SER A 68 -3.282 1.413 -11.309 1.00 52.43 C ATOM 1083 C SER A 68 -3.652 -0.002 -10.870 1.00 64.01 C ATOM 1084 O SER A 68 -4.361 -0.723 -11.564 1.00 41.52 O ATOM 1085 CB SER A 68 -2.376 1.373 -12.547 1.00 21.45 C ATOM 1086 OG SER A 68 -1.100 0.815 -12.236 1.00 22.14 O ATOM 0 H SER A 68 -1.620 2.267 -10.367 1.00 23.32 H new ATOM 0 HA SER A 68 -4.198 1.944 -11.567 1.00 52.43 H new ATOM 0 HB2 SER A 68 -2.852 0.783 -13.330 1.00 21.45 H new ATOM 0 HB3 SER A 68 -2.249 2.382 -12.940 1.00 21.45 H new ATOM 0 HG SER A 68 -0.544 0.800 -13.043 1.00 22.14 H new ATOM 1092 N SER A 69 -3.160 -0.386 -9.706 1.00 41.43 N ATOM 1093 CA SER A 69 -3.444 -1.682 -9.139 1.00 4.34 C ATOM 1094 C SER A 69 -4.865 -1.702 -8.560 1.00 20.11 C ATOM 1095 O SER A 69 -5.402 -2.764 -8.249 1.00 14.30 O ATOM 1096 CB SER A 69 -2.407 -2.011 -8.053 1.00 13.02 C ATOM 1097 OG SER A 69 -2.440 -3.384 -7.682 1.00 21.23 O ATOM 0 H SER A 69 -2.552 0.196 -9.130 1.00 41.43 H new ATOM 0 HA SER A 69 -3.382 -2.440 -9.920 1.00 4.34 H new ATOM 0 HB2 SER A 69 -1.411 -1.757 -8.415 1.00 13.02 H new ATOM 0 HB3 SER A 69 -2.594 -1.394 -7.174 1.00 13.02 H new ATOM 0 HG SER A 69 -1.944 -3.509 -6.846 1.00 21.23 H new ATOM 1103 N ALA A 70 -5.474 -0.516 -8.441 1.00 44.42 N ATOM 1104 CA ALA A 70 -6.821 -0.382 -7.890 1.00 64.04 C ATOM 1105 C ALA A 70 -7.850 -1.145 -8.724 1.00 53.22 C ATOM 1106 O ALA A 70 -8.804 -1.708 -8.182 1.00 74.04 O ATOM 1107 CB ALA A 70 -7.208 1.083 -7.776 1.00 11.23 C ATOM 0 H ALA A 70 -5.049 0.368 -8.722 1.00 44.42 H new ATOM 0 HA ALA A 70 -6.814 -0.821 -6.892 1.00 64.04 H new ATOM 0 HB1 ALA A 70 -8.214 1.163 -7.364 1.00 11.23 H new ATOM 0 HB2 ALA A 70 -6.505 1.595 -7.119 1.00 11.23 H new ATOM 0 HB3 ALA A 70 -7.183 1.544 -8.763 1.00 11.23 H new ATOM 1113 N LYS A 71 -7.651 -1.178 -10.043 1.00 1.24 N ATOM 1114 CA LYS A 71 -8.557 -1.913 -10.928 1.00 75.52 C ATOM 1115 C LYS A 71 -8.418 -3.421 -10.722 1.00 24.34 C ATOM 1116 O LYS A 71 -9.222 -4.205 -11.214 1.00 11.40 O ATOM 1117 CB LYS A 71 -8.351 -1.517 -12.416 1.00 24.50 C ATOM 1118 CG LYS A 71 -6.921 -1.668 -12.960 1.00 1.01 C ATOM 1119 CD LYS A 71 -6.538 -3.124 -13.245 1.00 21.42 C ATOM 1120 CE LYS A 71 -7.400 -3.744 -14.346 1.00 42.45 C ATOM 1121 NZ LYS A 71 -7.263 -3.026 -15.642 1.00 52.33 N ATOM 0 H LYS A 71 -6.879 -0.710 -10.518 1.00 1.24 H new ATOM 0 HA LYS A 71 -9.577 -1.635 -10.663 1.00 75.52 H new ATOM 0 HB2 LYS A 71 -9.018 -2.124 -13.029 1.00 24.50 H new ATOM 0 HB3 LYS A 71 -8.659 -0.479 -12.541 1.00 24.50 H new ATOM 0 HG2 LYS A 71 -6.824 -1.087 -13.877 1.00 1.01 H new ATOM 0 HG3 LYS A 71 -6.218 -1.248 -12.240 1.00 1.01 H new ATOM 0 HD2 LYS A 71 -5.489 -3.171 -13.537 1.00 21.42 H new ATOM 0 HD3 LYS A 71 -6.641 -3.710 -12.332 1.00 21.42 H new ATOM 0 HE2 LYS A 71 -7.118 -4.788 -14.480 1.00 42.45 H new ATOM 0 HE3 LYS A 71 -8.445 -3.733 -14.036 1.00 42.45 H new ATOM 0 HZ1 LYS A 71 -7.727 -3.575 -16.394 1.00 52.33 H new ATOM 0 HZ2 LYS A 71 -7.711 -2.090 -15.570 1.00 52.33 H new ATOM 0 HZ3 LYS A 71 -6.255 -2.910 -15.870 1.00 52.33 H new ATOM 1135 N ALA A 72 -7.385 -3.809 -9.989 1.00 0.01 N ATOM 1136 CA ALA A 72 -7.145 -5.200 -9.660 1.00 62.32 C ATOM 1137 C ALA A 72 -7.440 -5.428 -8.185 1.00 10.21 C ATOM 1138 O ALA A 72 -6.986 -6.402 -7.591 1.00 54.51 O ATOM 1139 CB ALA A 72 -5.705 -5.578 -9.984 1.00 44.41 C ATOM 0 H ALA A 72 -6.691 -3.166 -9.607 1.00 0.01 H new ATOM 0 HA ALA A 72 -7.804 -5.832 -10.256 1.00 62.32 H new ATOM 0 HB1 ALA A 72 -5.538 -6.625 -9.732 1.00 44.41 H new ATOM 0 HB2 ALA A 72 -5.520 -5.427 -11.047 1.00 44.41 H new ATOM 0 HB3 ALA A 72 -5.026 -4.953 -9.405 1.00 44.41 H new ATOM 1145 N ARG A 73 -8.201 -4.485 -7.601 1.00 33.10 N ATOM 1146 CA ARG A 73 -8.617 -4.523 -6.188 1.00 32.02 C ATOM 1147 C ARG A 73 -7.466 -4.213 -5.237 1.00 3.41 C ATOM 1148 O ARG A 73 -7.645 -4.194 -4.026 1.00 73.31 O ATOM 1149 CB ARG A 73 -9.261 -5.861 -5.828 1.00 21.54 C ATOM 1150 CG ARG A 73 -10.539 -6.153 -6.592 1.00 23.23 C ATOM 1151 CD ARG A 73 -11.034 -7.555 -6.307 1.00 10.43 C ATOM 1152 NE ARG A 73 -10.018 -8.560 -6.622 1.00 74.24 N ATOM 1153 CZ ARG A 73 -10.248 -9.675 -7.316 1.00 2.21 C ATOM 1154 NH1 ARG A 73 -11.463 -9.938 -7.785 1.00 51.13 N ATOM 1155 NH2 ARG A 73 -9.259 -10.522 -7.543 1.00 73.53 N ATOM 0 H ARG A 73 -8.548 -3.667 -8.102 1.00 33.10 H new ATOM 0 HA ARG A 73 -9.364 -3.738 -6.067 1.00 32.02 H new ATOM 0 HB2 ARG A 73 -8.545 -6.661 -6.018 1.00 21.54 H new ATOM 0 HB3 ARG A 73 -9.477 -5.874 -4.760 1.00 21.54 H new ATOM 0 HG2 ARG A 73 -11.306 -5.430 -6.315 1.00 23.23 H new ATOM 0 HG3 ARG A 73 -10.362 -6.036 -7.661 1.00 23.23 H new ATOM 0 HD2 ARG A 73 -11.313 -7.636 -5.257 1.00 10.43 H new ATOM 0 HD3 ARG A 73 -11.933 -7.750 -6.892 1.00 10.43 H new ATOM 0 HE ARG A 73 -9.068 -8.396 -6.288 1.00 74.24 H new ATOM 0 HH11 ARG A 73 -12.228 -9.285 -7.615 1.00 51.13 H new ATOM 0 HH12 ARG A 73 -11.631 -10.793 -8.315 1.00 51.13 H new ATOM 0 HH21 ARG A 73 -8.324 -10.321 -7.188 1.00 73.53 H new ATOM 0 HH22 ARG A 73 -9.431 -11.376 -8.073 1.00 73.53 H new ATOM 1169 N GLY A 74 -6.293 -3.967 -5.790 1.00 54.31 N ATOM 1170 CA GLY A 74 -5.145 -3.646 -4.972 1.00 34.33 C ATOM 1171 C GLY A 74 -4.477 -4.873 -4.385 1.00 41.14 C ATOM 1172 O GLY A 74 -3.453 -4.762 -3.705 1.00 72.11 O ATOM 0 H GLY A 74 -6.113 -3.984 -6.794 1.00 54.31 H new ATOM 0 HA2 GLY A 74 -4.420 -3.096 -5.572 1.00 34.33 H new ATOM 0 HA3 GLY A 74 -5.455 -2.985 -4.163 1.00 34.33 H new ATOM 1176 N ASP A 75 -5.035 -6.044 -4.646 1.00 2.51 N ATOM 1177 CA ASP A 75 -4.463 -7.269 -4.120 1.00 20.22 C ATOM 1178 C ASP A 75 -3.461 -7.848 -5.101 1.00 2.43 C ATOM 1179 O ASP A 75 -3.623 -7.730 -6.321 1.00 34.31 O ATOM 1180 CB ASP A 75 -5.554 -8.309 -3.766 1.00 11.45 C ATOM 1181 CG ASP A 75 -5.996 -9.177 -4.936 1.00 54.44 C ATOM 1182 OD1 ASP A 75 -5.361 -10.236 -5.170 1.00 3.20 O ATOM 1183 OD2 ASP A 75 -7.002 -8.833 -5.604 1.00 75.21 O ATOM 0 H ASP A 75 -5.874 -6.170 -5.212 1.00 2.51 H new ATOM 0 HA ASP A 75 -3.943 -7.021 -3.195 1.00 20.22 H new ATOM 0 HB2 ASP A 75 -5.180 -8.954 -2.971 1.00 11.45 H new ATOM 0 HB3 ASP A 75 -6.423 -7.785 -3.369 1.00 11.45 H new ATOM 1188 N LEU A 76 -2.414 -8.438 -4.571 1.00 52.34 N ATOM 1189 CA LEU A 76 -1.381 -9.044 -5.383 1.00 50.32 C ATOM 1190 C LEU A 76 -1.313 -10.525 -5.109 1.00 65.43 C ATOM 1191 O LEU A 76 -1.997 -11.028 -4.220 1.00 23.23 O ATOM 1192 CB LEU A 76 -0.019 -8.407 -5.100 1.00 62.35 C ATOM 1193 CG LEU A 76 0.106 -6.918 -5.406 1.00 25.44 C ATOM 1194 CD1 LEU A 76 1.501 -6.431 -5.068 1.00 23.02 C ATOM 1195 CD2 LEU A 76 -0.216 -6.638 -6.864 1.00 42.53 C ATOM 0 H LEU A 76 -2.254 -8.512 -3.566 1.00 52.34 H new ATOM 0 HA LEU A 76 -1.631 -8.878 -6.431 1.00 50.32 H new ATOM 0 HB2 LEU A 76 0.219 -8.561 -4.048 1.00 62.35 H new ATOM 0 HB3 LEU A 76 0.735 -8.940 -5.679 1.00 62.35 H new ATOM 0 HG LEU A 76 -0.613 -6.378 -4.790 1.00 25.44 H new ATOM 0 HD11 LEU A 76 1.579 -5.367 -5.290 1.00 23.02 H new ATOM 0 HD12 LEU A 76 1.697 -6.595 -4.008 1.00 23.02 H new ATOM 0 HD13 LEU A 76 2.232 -6.980 -5.662 1.00 23.02 H new ATOM 0 HD21 LEU A 76 -0.120 -5.570 -7.059 1.00 42.53 H new ATOM 0 HD22 LEU A 76 0.477 -7.187 -7.502 1.00 42.53 H new ATOM 0 HD23 LEU A 76 -1.236 -6.956 -7.079 1.00 42.53 H new ATOM 1207 N GLY A 77 -0.526 -11.222 -5.890 1.00 20.14 N ATOM 1208 CA GLY A 77 -0.342 -12.638 -5.689 1.00 25.31 C ATOM 1209 C GLY A 77 0.979 -12.932 -5.009 1.00 31.02 C ATOM 1210 O GLY A 77 1.548 -12.060 -4.346 1.00 43.21 O ATOM 0 H GLY A 77 -0.001 -10.831 -6.673 1.00 20.14 H new ATOM 0 HA2 GLY A 77 -1.160 -13.031 -5.084 1.00 25.31 H new ATOM 0 HA3 GLY A 77 -0.381 -13.152 -6.650 1.00 25.31 H new ATOM 1214 N ALA A 78 1.467 -14.148 -5.166 1.00 45.12 N ATOM 1215 CA ALA A 78 2.736 -14.541 -4.576 1.00 44.13 C ATOM 1216 C ALA A 78 3.892 -13.943 -5.362 1.00 10.00 C ATOM 1217 O ALA A 78 3.950 -14.063 -6.590 1.00 1.13 O ATOM 1218 CB ALA A 78 2.854 -16.058 -4.527 1.00 12.13 C ATOM 0 H ALA A 78 1.003 -14.884 -5.699 1.00 45.12 H new ATOM 0 HA ALA A 78 2.776 -14.160 -3.556 1.00 44.13 H new ATOM 0 HB1 ALA A 78 3.810 -16.334 -4.082 1.00 12.13 H new ATOM 0 HB2 ALA A 78 2.042 -16.467 -3.925 1.00 12.13 H new ATOM 0 HB3 ALA A 78 2.794 -16.460 -5.538 1.00 12.13 H new ATOM 1224 N PHE A 79 4.804 -13.299 -4.667 1.00 35.01 N ATOM 1225 CA PHE A 79 5.938 -12.655 -5.312 1.00 11.12 C ATOM 1226 C PHE A 79 7.260 -13.126 -4.719 1.00 70.44 C ATOM 1227 O PHE A 79 7.284 -13.852 -3.722 1.00 70.01 O ATOM 1228 CB PHE A 79 5.821 -11.129 -5.200 1.00 42.52 C ATOM 1229 CG PHE A 79 5.749 -10.622 -3.784 1.00 21.11 C ATOM 1230 CD1 PHE A 79 6.904 -10.310 -3.083 1.00 42.22 C ATOM 1231 CD2 PHE A 79 4.528 -10.460 -3.156 1.00 62.32 C ATOM 1232 CE1 PHE A 79 6.839 -9.847 -1.787 1.00 64.50 C ATOM 1233 CE2 PHE A 79 4.458 -10.000 -1.860 1.00 64.41 C ATOM 1234 CZ PHE A 79 5.615 -9.692 -1.174 1.00 62.25 C ATOM 0 H PHE A 79 4.786 -13.205 -3.652 1.00 35.01 H new ATOM 0 HA PHE A 79 5.924 -12.937 -6.365 1.00 11.12 H new ATOM 0 HB2 PHE A 79 6.678 -10.672 -5.695 1.00 42.52 H new ATOM 0 HB3 PHE A 79 4.931 -10.803 -5.737 1.00 42.52 H new ATOM 0 HD1 PHE A 79 7.866 -10.431 -3.559 1.00 42.22 H new ATOM 0 HD2 PHE A 79 3.619 -10.697 -3.688 1.00 62.32 H new ATOM 0 HE1 PHE A 79 7.746 -9.606 -1.253 1.00 64.50 H new ATOM 0 HE2 PHE A 79 3.498 -9.880 -1.381 1.00 64.41 H new ATOM 0 HZ PHE A 79 5.561 -9.330 -0.158 1.00 62.25 H new ATOM 1244 N SER A 80 8.350 -12.706 -5.340 1.00 75.41 N ATOM 1245 CA SER A 80 9.684 -13.052 -4.890 1.00 72.03 C ATOM 1246 C SER A 80 10.361 -11.825 -4.274 1.00 35.30 C ATOM 1247 O SER A 80 10.171 -10.701 -4.748 1.00 34.13 O ATOM 1248 CB SER A 80 10.507 -13.582 -6.068 1.00 33.20 C ATOM 1249 OG SER A 80 11.818 -13.939 -5.670 1.00 62.03 O ATOM 0 H SER A 80 8.332 -12.115 -6.171 1.00 75.41 H new ATOM 0 HA SER A 80 9.617 -13.831 -4.130 1.00 72.03 H new ATOM 0 HB2 SER A 80 10.008 -14.450 -6.500 1.00 33.20 H new ATOM 0 HB3 SER A 80 10.557 -12.823 -6.848 1.00 33.20 H new ATOM 0 HG SER A 80 12.315 -14.275 -6.445 1.00 62.03 H new ATOM 1255 N ARG A 81 11.156 -12.046 -3.228 1.00 13.21 N ATOM 1256 CA ARG A 81 11.831 -10.953 -2.525 1.00 54.44 C ATOM 1257 C ARG A 81 12.849 -10.244 -3.426 1.00 13.34 C ATOM 1258 O ARG A 81 12.983 -9.022 -3.384 1.00 12.41 O ATOM 1259 CB ARG A 81 12.518 -11.467 -1.246 1.00 12.00 C ATOM 1260 CG ARG A 81 13.641 -12.462 -1.494 1.00 62.31 C ATOM 1261 CD ARG A 81 14.302 -12.894 -0.199 1.00 11.11 C ATOM 1262 NE ARG A 81 15.451 -13.770 -0.439 1.00 32.34 N ATOM 1263 CZ ARG A 81 16.203 -14.316 0.519 1.00 4.15 C ATOM 1264 NH1 ARG A 81 15.925 -14.098 1.798 1.00 72.20 N ATOM 1265 NH2 ARG A 81 17.237 -15.082 0.189 1.00 22.40 N ATOM 0 H ARG A 81 11.349 -12.972 -2.847 1.00 13.21 H new ATOM 0 HA ARG A 81 11.068 -10.227 -2.246 1.00 54.44 H new ATOM 0 HB2 ARG A 81 12.918 -10.616 -0.696 1.00 12.00 H new ATOM 0 HB3 ARG A 81 11.768 -11.935 -0.608 1.00 12.00 H new ATOM 0 HG2 ARG A 81 13.245 -13.337 -2.010 1.00 62.31 H new ATOM 0 HG3 ARG A 81 14.386 -12.014 -2.151 1.00 62.31 H new ATOM 0 HD2 ARG A 81 14.626 -12.013 0.355 1.00 11.11 H new ATOM 0 HD3 ARG A 81 13.574 -13.412 0.425 1.00 11.11 H new ATOM 0 HE ARG A 81 15.694 -13.978 -1.408 1.00 32.34 H new ATOM 0 HH11 ARG A 81 15.132 -13.510 2.054 1.00 72.20 H new ATOM 0 HH12 ARG A 81 16.504 -14.519 2.525 1.00 72.20 H new ATOM 0 HH21 ARG A 81 17.454 -15.251 -0.793 1.00 22.40 H new ATOM 0 HH22 ARG A 81 17.814 -15.501 0.918 1.00 22.40 H new ATOM 1279 N GLY A 82 13.537 -11.014 -4.262 1.00 13.13 N ATOM 1280 CA GLY A 82 14.553 -10.449 -5.131 1.00 14.11 C ATOM 1281 C GLY A 82 13.973 -9.648 -6.279 1.00 41.35 C ATOM 1282 O GLY A 82 14.699 -8.948 -6.984 1.00 53.30 O ATOM 0 H GLY A 82 13.409 -12.022 -4.353 1.00 13.13 H new ATOM 0 HA2 GLY A 82 15.210 -9.808 -4.543 1.00 14.11 H new ATOM 0 HA3 GLY A 82 15.169 -11.254 -5.532 1.00 14.11 H new ATOM 1286 N GLN A 83 12.665 -9.739 -6.466 1.00 40.42 N ATOM 1287 CA GLN A 83 12.006 -9.027 -7.549 1.00 30.51 C ATOM 1288 C GLN A 83 11.206 -7.844 -7.014 1.00 31.22 C ATOM 1289 O GLN A 83 10.476 -7.183 -7.762 1.00 11.32 O ATOM 1290 CB GLN A 83 11.084 -9.969 -8.332 1.00 24.22 C ATOM 1291 CG GLN A 83 11.774 -11.225 -8.855 1.00 2.25 C ATOM 1292 CD GLN A 83 12.965 -10.930 -9.755 1.00 63.52 C ATOM 1293 OE1 GLN A 83 12.906 -9.841 -10.499 1.00 1.42 O flip ATOM 1294 NE2 GLN A 83 13.926 -11.693 -9.789 1.00 42.02 N flip ATOM 0 H GLN A 83 12.041 -10.297 -5.884 1.00 40.42 H new ATOM 0 HA GLN A 83 12.778 -8.650 -8.220 1.00 30.51 H new ATOM 0 HB2 GLN A 83 10.254 -10.264 -7.690 1.00 24.22 H new ATOM 0 HB3 GLN A 83 10.657 -9.425 -9.174 1.00 24.22 H new ATOM 0 HG2 GLN A 83 12.107 -11.826 -8.009 1.00 2.25 H new ATOM 0 HG3 GLN A 83 11.051 -11.825 -9.407 1.00 2.25 H new ATOM 0 HE21 GLN A 83 13.937 -12.526 -9.200 1.00 42.02 H new ATOM 0 HE22 GLN A 83 14.713 -11.494 -10.406 1.00 42.02 H new ATOM 1303 N MET A 84 11.348 -7.575 -5.730 1.00 3.01 N ATOM 1304 CA MET A 84 10.624 -6.484 -5.099 1.00 62.20 C ATOM 1305 C MET A 84 11.573 -5.513 -4.427 1.00 52.34 C ATOM 1306 O MET A 84 12.711 -5.860 -4.110 1.00 4.43 O ATOM 1307 CB MET A 84 9.611 -7.016 -4.084 1.00 65.41 C ATOM 1308 CG MET A 84 8.399 -7.682 -4.713 1.00 13.43 C ATOM 1309 SD MET A 84 7.433 -6.546 -5.730 1.00 22.42 S ATOM 1310 CE MET A 84 6.066 -7.597 -6.209 1.00 64.14 C ATOM 0 H MET A 84 11.959 -8.097 -5.101 1.00 3.01 H new ATOM 0 HA MET A 84 10.086 -5.951 -5.883 1.00 62.20 H new ATOM 0 HB2 MET A 84 10.109 -7.733 -3.431 1.00 65.41 H new ATOM 0 HB3 MET A 84 9.275 -6.192 -3.455 1.00 65.41 H new ATOM 0 HG2 MET A 84 8.727 -8.522 -5.325 1.00 13.43 H new ATOM 0 HG3 MET A 84 7.764 -8.090 -3.926 1.00 13.43 H new ATOM 0 HE1 MET A 84 5.380 -7.035 -6.843 1.00 64.14 H new ATOM 0 HE2 MET A 84 6.445 -8.459 -6.759 1.00 64.14 H new ATOM 0 HE3 MET A 84 5.540 -7.938 -5.318 1.00 64.14 H new ATOM 1320 N GLN A 85 11.100 -4.296 -4.220 1.00 0.43 N ATOM 1321 CA GLN A 85 11.883 -3.259 -3.567 1.00 73.42 C ATOM 1322 C GLN A 85 12.009 -3.547 -2.077 1.00 60.51 C ATOM 1323 O GLN A 85 11.158 -4.223 -1.497 1.00 53.05 O ATOM 1324 CB GLN A 85 11.229 -1.893 -3.785 1.00 4.23 C ATOM 1325 CG GLN A 85 11.234 -1.431 -5.231 1.00 52.34 C ATOM 1326 CD GLN A 85 12.630 -1.134 -5.739 1.00 63.11 C ATOM 1327 OE1 GLN A 85 13.317 -2.009 -6.268 1.00 62.31 O ATOM 1328 NE2 GLN A 85 13.061 0.098 -5.582 1.00 12.23 N ATOM 0 H GLN A 85 10.165 -3.999 -4.499 1.00 0.43 H new ATOM 0 HA GLN A 85 12.881 -3.248 -4.004 1.00 73.42 H new ATOM 0 HB2 GLN A 85 10.199 -1.934 -3.431 1.00 4.23 H new ATOM 0 HB3 GLN A 85 11.747 -1.152 -3.176 1.00 4.23 H new ATOM 0 HG2 GLN A 85 10.779 -2.199 -5.856 1.00 52.34 H new ATOM 0 HG3 GLN A 85 10.618 -0.537 -5.326 1.00 52.34 H new ATOM 0 HE21 GLN A 85 12.462 0.795 -5.139 1.00 12.23 H new ATOM 0 HE22 GLN A 85 13.994 0.357 -5.903 1.00 12.23 H new ATOM 1337 N LYS A 86 13.059 -3.019 -1.462 1.00 43.40 N ATOM 1338 CA LYS A 86 13.317 -3.227 -0.034 1.00 22.45 C ATOM 1339 C LYS A 86 12.125 -2.820 0.855 1.00 23.40 C ATOM 1340 O LYS A 86 11.690 -3.615 1.680 1.00 72.14 O ATOM 1341 CB LYS A 86 14.602 -2.513 0.422 1.00 11.13 C ATOM 1342 CG LYS A 86 15.893 -3.271 0.112 1.00 43.53 C ATOM 1343 CD LYS A 86 16.149 -3.393 -1.383 1.00 55.32 C ATOM 1344 CE LYS A 86 17.407 -4.202 -1.666 1.00 11.02 C ATOM 1345 NZ LYS A 86 18.612 -3.587 -1.051 1.00 21.10 N ATOM 0 H LYS A 86 13.754 -2.438 -1.930 1.00 43.40 H new ATOM 0 HA LYS A 86 13.458 -4.301 0.091 1.00 22.45 H new ATOM 0 HB2 LYS A 86 14.647 -1.534 -0.055 1.00 11.13 H new ATOM 0 HB3 LYS A 86 14.545 -2.342 1.497 1.00 11.13 H new ATOM 0 HG2 LYS A 86 16.733 -2.759 0.581 1.00 43.53 H new ATOM 0 HG3 LYS A 86 15.841 -4.267 0.551 1.00 43.53 H new ATOM 0 HD2 LYS A 86 15.293 -3.868 -1.863 1.00 55.32 H new ATOM 0 HD3 LYS A 86 16.248 -2.399 -1.819 1.00 55.32 H new ATOM 0 HE2 LYS A 86 17.281 -5.215 -1.283 1.00 11.02 H new ATOM 0 HE3 LYS A 86 17.551 -4.284 -2.743 1.00 11.02 H new ATOM 0 HZ1 LYS A 86 19.392 -3.588 -1.739 1.00 21.10 H new ATOM 0 HZ2 LYS A 86 18.398 -2.608 -0.771 1.00 21.10 H new ATOM 0 HZ3 LYS A 86 18.891 -4.134 -0.212 1.00 21.10 H new ATOM 1359 N PRO A 87 11.568 -1.578 0.703 1.00 12.51 N ATOM 1360 CA PRO A 87 10.418 -1.132 1.508 1.00 45.43 C ATOM 1361 C PRO A 87 9.208 -2.055 1.358 1.00 71.50 C ATOM 1362 O PRO A 87 8.401 -2.192 2.273 1.00 43.10 O ATOM 1363 CB PRO A 87 10.095 0.269 0.951 1.00 63.31 C ATOM 1364 CG PRO A 87 10.800 0.339 -0.363 1.00 70.41 C ATOM 1365 CD PRO A 87 12.017 -0.523 -0.223 1.00 12.21 C ATOM 0 HA PRO A 87 10.651 -1.134 2.573 1.00 45.43 H new ATOM 0 HB2 PRO A 87 9.021 0.406 0.829 1.00 63.31 H new ATOM 0 HB3 PRO A 87 10.442 1.051 1.626 1.00 63.31 H new ATOM 0 HG2 PRO A 87 10.159 -0.018 -1.169 1.00 70.41 H new ATOM 0 HG3 PRO A 87 11.074 1.366 -0.605 1.00 70.41 H new ATOM 0 HD2 PRO A 87 12.333 -0.934 -1.182 1.00 12.21 H new ATOM 0 HD3 PRO A 87 12.863 0.034 0.179 1.00 12.21 H new ATOM 1373 N PHE A 88 9.104 -2.699 0.210 1.00 31.14 N ATOM 1374 CA PHE A 88 8.000 -3.598 -0.056 1.00 42.05 C ATOM 1375 C PHE A 88 8.288 -4.973 0.546 1.00 52.50 C ATOM 1376 O PHE A 88 7.420 -5.586 1.175 1.00 71.32 O ATOM 1377 CB PHE A 88 7.765 -3.711 -1.568 1.00 5.20 C ATOM 1378 CG PHE A 88 6.481 -4.397 -1.935 1.00 21.22 C ATOM 1379 CD1 PHE A 88 5.311 -3.670 -2.072 1.00 42.41 C ATOM 1380 CD2 PHE A 88 6.443 -5.766 -2.143 1.00 1.15 C ATOM 1381 CE1 PHE A 88 4.128 -4.294 -2.409 1.00 2.05 C ATOM 1382 CE2 PHE A 88 5.263 -6.394 -2.479 1.00 0.53 C ATOM 1383 CZ PHE A 88 4.104 -5.658 -2.612 1.00 1.42 C ATOM 0 H PHE A 88 9.774 -2.615 -0.554 1.00 31.14 H new ATOM 0 HA PHE A 88 7.097 -3.199 0.406 1.00 42.05 H new ATOM 0 HB2 PHE A 88 7.768 -2.711 -2.002 1.00 5.20 H new ATOM 0 HB3 PHE A 88 8.597 -4.255 -2.015 1.00 5.20 H new ATOM 0 HD1 PHE A 88 5.325 -2.602 -1.913 1.00 42.41 H new ATOM 0 HD2 PHE A 88 7.347 -6.347 -2.041 1.00 1.15 H new ATOM 0 HE1 PHE A 88 3.222 -3.716 -2.514 1.00 2.05 H new ATOM 0 HE2 PHE A 88 5.246 -7.462 -2.638 1.00 0.53 H new ATOM 0 HZ PHE A 88 3.179 -6.149 -2.875 1.00 1.42 H new ATOM 1393 N GLU A 89 9.517 -5.438 0.358 1.00 72.51 N ATOM 1394 CA GLU A 89 9.952 -6.732 0.866 1.00 63.41 C ATOM 1395 C GLU A 89 9.935 -6.749 2.392 1.00 31.43 C ATOM 1396 O GLU A 89 9.268 -7.583 3.007 1.00 32.52 O ATOM 1397 CB GLU A 89 11.370 -7.039 0.379 1.00 0.15 C ATOM 1398 CG GLU A 89 11.848 -8.435 0.736 1.00 13.30 C ATOM 1399 CD GLU A 89 13.353 -8.546 0.793 1.00 1.35 C ATOM 1400 OE1 GLU A 89 14.029 -8.130 -0.167 1.00 35.52 O ATOM 1401 OE2 GLU A 89 13.871 -9.042 1.813 1.00 54.24 O ATOM 0 H GLU A 89 10.239 -4.928 -0.151 1.00 72.51 H new ATOM 0 HA GLU A 89 9.262 -7.489 0.494 1.00 63.41 H new ATOM 0 HB2 GLU A 89 11.407 -6.917 -0.704 1.00 0.15 H new ATOM 0 HB3 GLU A 89 12.058 -6.309 0.806 1.00 0.15 H new ATOM 0 HG2 GLU A 89 11.431 -8.720 1.702 1.00 13.30 H new ATOM 0 HG3 GLU A 89 11.464 -9.143 0.002 1.00 13.30 H new ATOM 1408 N ASP A 90 10.661 -5.805 2.985 1.00 10.34 N ATOM 1409 CA ASP A 90 10.802 -5.709 4.440 1.00 22.13 C ATOM 1410 C ASP A 90 9.451 -5.668 5.134 1.00 55.41 C ATOM 1411 O ASP A 90 9.246 -6.330 6.145 1.00 52.32 O ATOM 1412 CB ASP A 90 11.623 -4.469 4.814 1.00 65.41 C ATOM 1413 CG ASP A 90 11.720 -4.253 6.312 1.00 0.34 C ATOM 1414 OD1 ASP A 90 12.506 -4.960 6.972 1.00 24.44 O ATOM 1415 OD2 ASP A 90 11.017 -3.367 6.837 1.00 12.11 O ATOM 0 H ASP A 90 11.169 -5.084 2.473 1.00 10.34 H new ATOM 0 HA ASP A 90 11.325 -6.603 4.780 1.00 22.13 H new ATOM 0 HB2 ASP A 90 12.627 -4.566 4.401 1.00 65.41 H new ATOM 0 HB3 ASP A 90 11.173 -3.589 4.354 1.00 65.41 H new ATOM 1420 N ALA A 91 8.533 -4.903 4.583 1.00 74.24 N ATOM 1421 CA ALA A 91 7.209 -4.775 5.158 1.00 12.02 C ATOM 1422 C ALA A 91 6.423 -6.080 5.050 1.00 1.33 C ATOM 1423 O ALA A 91 5.893 -6.576 6.039 1.00 43.41 O ATOM 1424 CB ALA A 91 6.455 -3.646 4.483 1.00 14.00 C ATOM 0 H ALA A 91 8.679 -4.358 3.734 1.00 74.24 H new ATOM 0 HA ALA A 91 7.323 -4.545 6.217 1.00 12.02 H new ATOM 0 HB1 ALA A 91 5.461 -3.558 4.922 1.00 14.00 H new ATOM 0 HB2 ALA A 91 6.998 -2.711 4.623 1.00 14.00 H new ATOM 0 HB3 ALA A 91 6.363 -3.856 3.417 1.00 14.00 H new ATOM 1430 N SER A 92 6.383 -6.644 3.853 1.00 21.02 N ATOM 1431 CA SER A 92 5.604 -7.852 3.593 1.00 25.10 C ATOM 1432 C SER A 92 6.152 -9.082 4.336 1.00 40.04 C ATOM 1433 O SER A 92 5.382 -9.907 4.835 1.00 33.42 O ATOM 1434 CB SER A 92 5.553 -8.127 2.091 1.00 0.25 C ATOM 1435 OG SER A 92 5.058 -6.999 1.382 1.00 24.33 O ATOM 0 H SER A 92 6.883 -6.285 3.040 1.00 21.02 H new ATOM 0 HA SER A 92 4.598 -7.672 3.971 1.00 25.10 H new ATOM 0 HB2 SER A 92 6.550 -8.379 1.730 1.00 0.25 H new ATOM 0 HB3 SER A 92 4.917 -8.990 1.897 1.00 0.25 H new ATOM 0 HG SER A 92 4.280 -7.264 0.848 1.00 24.33 H new ATOM 1441 N PHE A 93 7.472 -9.200 4.414 1.00 53.01 N ATOM 1442 CA PHE A 93 8.092 -10.362 5.053 1.00 25.42 C ATOM 1443 C PHE A 93 8.154 -10.234 6.572 1.00 53.22 C ATOM 1444 O PHE A 93 8.320 -11.232 7.273 1.00 41.11 O ATOM 1445 CB PHE A 93 9.482 -10.635 4.473 1.00 44.44 C ATOM 1446 CG PHE A 93 9.446 -11.288 3.117 1.00 62.21 C ATOM 1447 CD1 PHE A 93 9.347 -10.528 1.965 1.00 5.22 C ATOM 1448 CD2 PHE A 93 9.509 -12.667 2.999 1.00 15.43 C ATOM 1449 CE1 PHE A 93 9.312 -11.128 0.722 1.00 51.25 C ATOM 1450 CE2 PHE A 93 9.474 -13.273 1.758 1.00 4.44 C ATOM 1451 CZ PHE A 93 9.375 -12.502 0.619 1.00 75.42 C ATOM 0 H PHE A 93 8.132 -8.514 4.047 1.00 53.01 H new ATOM 0 HA PHE A 93 7.451 -11.216 4.833 1.00 25.42 H new ATOM 0 HB2 PHE A 93 10.029 -9.695 4.401 1.00 44.44 H new ATOM 0 HB3 PHE A 93 10.036 -11.274 5.161 1.00 44.44 H new ATOM 0 HD1 PHE A 93 9.296 -9.452 2.039 1.00 5.22 H new ATOM 0 HD2 PHE A 93 9.586 -13.276 3.888 1.00 15.43 H new ATOM 0 HE1 PHE A 93 9.235 -10.522 -0.169 1.00 51.25 H new ATOM 0 HE2 PHE A 93 9.524 -14.349 1.680 1.00 4.44 H new ATOM 0 HZ PHE A 93 9.347 -12.973 -0.352 1.00 75.42 H new ATOM 1461 N ALA A 94 8.020 -9.018 7.081 1.00 62.22 N ATOM 1462 CA ALA A 94 8.026 -8.805 8.525 1.00 54.54 C ATOM 1463 C ALA A 94 6.699 -9.229 9.127 1.00 12.22 C ATOM 1464 O ALA A 94 6.606 -9.526 10.320 1.00 3.45 O ATOM 1465 CB ALA A 94 8.308 -7.350 8.856 1.00 45.32 C ATOM 0 H ALA A 94 7.907 -8.171 6.525 1.00 62.22 H new ATOM 0 HA ALA A 94 8.820 -9.416 8.954 1.00 54.54 H new ATOM 0 HB1 ALA A 94 8.307 -7.216 9.938 1.00 45.32 H new ATOM 0 HB2 ALA A 94 9.282 -7.068 8.456 1.00 45.32 H new ATOM 0 HB3 ALA A 94 7.537 -6.720 8.412 1.00 45.32 H new ATOM 1471 N LEU A 95 5.681 -9.259 8.292 1.00 64.00 N ATOM 1472 CA LEU A 95 4.347 -9.637 8.707 1.00 12.21 C ATOM 1473 C LEU A 95 4.259 -11.140 8.928 1.00 4.35 C ATOM 1474 O LEU A 95 4.868 -11.920 8.190 1.00 5.30 O ATOM 1475 CB LEU A 95 3.340 -9.210 7.647 1.00 24.23 C ATOM 1476 CG LEU A 95 3.336 -7.728 7.297 1.00 14.14 C ATOM 1477 CD1 LEU A 95 2.316 -7.440 6.210 1.00 51.53 C ATOM 1478 CD2 LEU A 95 3.061 -6.887 8.528 1.00 75.41 C ATOM 0 H LEU A 95 5.756 -9.021 7.303 1.00 64.00 H new ATOM 0 HA LEU A 95 4.119 -9.136 9.648 1.00 12.21 H new ATOM 0 HB2 LEU A 95 3.535 -9.778 6.738 1.00 24.23 H new ATOM 0 HB3 LEU A 95 2.342 -9.486 7.988 1.00 24.23 H new ATOM 0 HG LEU A 95 4.323 -7.462 6.919 1.00 14.14 H new ATOM 0 HD11 LEU A 95 2.327 -6.376 5.973 1.00 51.53 H new ATOM 0 HD12 LEU A 95 2.564 -8.013 5.317 1.00 51.53 H new ATOM 0 HD13 LEU A 95 1.323 -7.723 6.559 1.00 51.53 H new ATOM 0 HD21 LEU A 95 3.063 -5.832 8.255 1.00 75.41 H new ATOM 0 HD22 LEU A 95 2.088 -7.154 8.941 1.00 75.41 H new ATOM 0 HD23 LEU A 95 3.834 -7.070 9.274 1.00 75.41 H new ATOM 1490 N ARG A 96 3.511 -11.540 9.943 1.00 21.10 N ATOM 1491 CA ARG A 96 3.346 -12.957 10.256 1.00 21.13 C ATOM 1492 C ARG A 96 2.255 -13.619 9.389 1.00 4.13 C ATOM 1493 O ARG A 96 2.562 -14.384 8.486 1.00 33.44 O ATOM 1494 CB ARG A 96 3.080 -13.167 11.764 1.00 31.51 C ATOM 1495 CG ARG A 96 2.101 -12.173 12.379 1.00 31.11 C ATOM 1496 CD ARG A 96 1.877 -12.433 13.860 1.00 63.02 C ATOM 1497 NE ARG A 96 3.114 -12.365 14.639 1.00 44.34 N ATOM 1498 CZ ARG A 96 3.571 -11.260 15.244 1.00 12.10 C ATOM 1499 NH1 ARG A 96 2.991 -10.079 15.028 1.00 35.34 N ATOM 1500 NH2 ARG A 96 4.637 -11.331 16.031 1.00 51.45 N ATOM 0 H ARG A 96 3.008 -10.908 10.565 1.00 21.10 H new ATOM 0 HA ARG A 96 4.285 -13.454 10.012 1.00 21.13 H new ATOM 0 HB2 ARG A 96 2.696 -14.176 11.915 1.00 31.51 H new ATOM 0 HB3 ARG A 96 4.027 -13.103 12.299 1.00 31.51 H new ATOM 0 HG2 ARG A 96 2.480 -11.160 12.242 1.00 31.11 H new ATOM 0 HG3 ARG A 96 1.148 -12.231 11.853 1.00 31.11 H new ATOM 0 HD2 ARG A 96 1.167 -11.704 14.249 1.00 63.02 H new ATOM 0 HD3 ARG A 96 1.426 -13.417 13.988 1.00 63.02 H new ATOM 0 HE ARG A 96 3.667 -13.218 14.728 1.00 44.34 H new ATOM 0 HH11 ARG A 96 2.192 -10.011 14.398 1.00 35.34 H new ATOM 0 HH12 ARG A 96 3.346 -9.244 15.493 1.00 35.34 H new ATOM 0 HH21 ARG A 96 5.107 -12.225 16.174 1.00 51.45 H new ATOM 0 HH22 ARG A 96 4.987 -10.491 16.493 1.00 51.45 H new ATOM 1514 N THR A 97 0.994 -13.315 9.666 1.00 72.41 N ATOM 1515 CA THR A 97 -0.136 -13.885 8.927 1.00 11.20 C ATOM 1516 C THR A 97 -1.371 -13.021 9.168 1.00 41.34 C ATOM 1517 O THR A 97 -1.673 -12.692 10.321 1.00 43.53 O ATOM 1518 CB THR A 97 -0.433 -15.344 9.387 1.00 52.11 C ATOM 1519 OG1 THR A 97 0.752 -16.150 9.277 1.00 74.15 O ATOM 1520 CG2 THR A 97 -1.544 -15.971 8.555 1.00 5.45 C ATOM 0 H THR A 97 0.721 -12.669 10.406 1.00 72.41 H new ATOM 0 HA THR A 97 0.117 -13.906 7.867 1.00 11.20 H new ATOM 0 HB THR A 97 -0.757 -15.303 10.427 1.00 52.11 H new ATOM 0 HG1 THR A 97 1.376 -15.730 8.649 1.00 74.15 H new ATOM 0 HG21 THR A 97 -1.727 -16.988 8.901 1.00 5.45 H new ATOM 0 HG22 THR A 97 -2.455 -15.382 8.661 1.00 5.45 H new ATOM 0 HG23 THR A 97 -1.246 -15.992 7.507 1.00 5.45 H new ATOM 1528 N GLY A 98 -2.074 -12.651 8.089 1.00 52.33 N ATOM 1529 CA GLY A 98 -3.233 -11.765 8.213 1.00 54.24 C ATOM 1530 C GLY A 98 -2.880 -10.505 8.977 1.00 34.25 C ATOM 1531 O GLY A 98 -3.605 -10.078 9.879 1.00 10.53 O ATOM 0 H GLY A 98 -1.863 -12.947 7.136 1.00 52.33 H new ATOM 0 HA2 GLY A 98 -3.600 -11.501 7.221 1.00 54.24 H new ATOM 0 HA3 GLY A 98 -4.041 -12.289 8.723 1.00 54.24 H new ATOM 1535 N GLU A 99 -1.763 -9.913 8.614 1.00 13.14 N ATOM 1536 CA GLU A 99 -1.237 -8.776 9.331 1.00 21.40 C ATOM 1537 C GLU A 99 -0.953 -7.620 8.380 1.00 64.51 C ATOM 1538 O GLU A 99 -0.684 -7.834 7.193 1.00 71.25 O ATOM 1539 CB GLU A 99 0.028 -9.211 10.069 1.00 13.24 C ATOM 1540 CG GLU A 99 0.573 -8.207 11.056 1.00 74.32 C ATOM 1541 CD GLU A 99 1.640 -8.813 11.927 1.00 64.43 C ATOM 1542 OE1 GLU A 99 2.732 -9.122 11.413 1.00 12.33 O ATOM 1543 OE2 GLU A 99 1.371 -9.023 13.130 1.00 3.21 O ATOM 0 H GLU A 99 -1.197 -10.206 7.817 1.00 13.14 H new ATOM 0 HA GLU A 99 -1.973 -8.421 10.053 1.00 21.40 H new ATOM 0 HB2 GLU A 99 -0.181 -10.141 10.598 1.00 13.24 H new ATOM 0 HB3 GLU A 99 0.802 -9.430 9.333 1.00 13.24 H new ATOM 0 HG2 GLU A 99 0.983 -7.352 10.518 1.00 74.32 H new ATOM 0 HG3 GLU A 99 -0.238 -7.832 11.680 1.00 74.32 H new ATOM 1550 N MET A 100 -1.030 -6.404 8.900 1.00 35.15 N ATOM 1551 CA MET A 100 -0.814 -5.204 8.105 1.00 62.14 C ATOM 1552 C MET A 100 0.473 -4.508 8.522 1.00 62.04 C ATOM 1553 O MET A 100 0.776 -4.412 9.708 1.00 24.11 O ATOM 1554 CB MET A 100 -2.001 -4.246 8.269 1.00 41.45 C ATOM 1555 CG MET A 100 -1.888 -2.968 7.449 1.00 5.40 C ATOM 1556 SD MET A 100 -3.286 -1.854 7.690 1.00 53.10 S ATOM 1557 CE MET A 100 -4.632 -2.847 7.049 1.00 50.45 C ATOM 0 H MET A 100 -1.243 -6.221 9.881 1.00 35.15 H new ATOM 0 HA MET A 100 -0.728 -5.495 7.058 1.00 62.14 H new ATOM 0 HB2 MET A 100 -2.916 -4.767 7.986 1.00 41.45 H new ATOM 0 HB3 MET A 100 -2.098 -3.982 9.322 1.00 41.45 H new ATOM 0 HG2 MET A 100 -0.967 -2.450 7.717 1.00 5.40 H new ATOM 0 HG3 MET A 100 -1.813 -3.226 6.393 1.00 5.40 H new ATOM 0 HE1 MET A 100 -5.486 -2.205 6.831 1.00 50.45 H new ATOM 0 HE2 MET A 100 -4.312 -3.348 6.135 1.00 50.45 H new ATOM 0 HE3 MET A 100 -4.919 -3.593 7.790 1.00 50.45 H new ATOM 1567 N SER A 101 1.231 -4.041 7.544 1.00 21.02 N ATOM 1568 CA SER A 101 2.473 -3.334 7.808 1.00 33.45 C ATOM 1569 C SER A 101 2.175 -1.931 8.297 1.00 71.14 C ATOM 1570 O SER A 101 2.762 -1.455 9.271 1.00 4.32 O ATOM 1571 CB SER A 101 3.309 -3.247 6.534 1.00 14.23 C ATOM 1572 OG SER A 101 3.327 -4.478 5.846 1.00 63.02 O ATOM 0 H SER A 101 1.006 -4.140 6.554 1.00 21.02 H new ATOM 0 HA SER A 101 3.027 -3.880 8.571 1.00 33.45 H new ATOM 0 HB2 SER A 101 2.905 -2.471 5.884 1.00 14.23 H new ATOM 0 HB3 SER A 101 4.328 -2.954 6.785 1.00 14.23 H new ATOM 0 HG SER A 101 4.161 -4.952 6.045 1.00 63.02 H new ATOM 1578 N GLY A 102 1.253 -1.282 7.621 1.00 12.11 N ATOM 1579 CA GLY A 102 0.918 0.074 7.942 1.00 63.31 C ATOM 1580 C GLY A 102 1.296 1.001 6.813 1.00 61.41 C ATOM 1581 O GLY A 102 1.271 0.592 5.647 1.00 14.50 O ATOM 0 H GLY A 102 0.724 -1.679 6.844 1.00 12.11 H new ATOM 0 HA2 GLY A 102 -0.151 0.152 8.140 1.00 63.31 H new ATOM 0 HA3 GLY A 102 1.434 0.375 8.854 1.00 63.31 H new ATOM 1585 N PRO A 103 1.662 2.249 7.115 1.00 53.32 N ATOM 1586 CA PRO A 103 2.045 3.223 6.109 1.00 50.30 C ATOM 1587 C PRO A 103 3.492 3.042 5.640 1.00 53.25 C ATOM 1588 O PRO A 103 4.428 3.525 6.282 1.00 63.21 O ATOM 1589 CB PRO A 103 1.885 4.582 6.829 1.00 51.30 C ATOM 1590 CG PRO A 103 1.393 4.260 8.213 1.00 42.20 C ATOM 1591 CD PRO A 103 1.723 2.818 8.458 1.00 13.41 C ATOM 0 HA PRO A 103 1.436 3.128 5.210 1.00 50.30 H new ATOM 0 HB2 PRO A 103 2.833 5.118 6.867 1.00 51.30 H new ATOM 0 HB3 PRO A 103 1.177 5.222 6.302 1.00 51.30 H new ATOM 0 HG2 PRO A 103 1.873 4.899 8.954 1.00 42.20 H new ATOM 0 HG3 PRO A 103 0.319 4.431 8.293 1.00 42.20 H new ATOM 0 HD2 PRO A 103 2.710 2.698 8.906 1.00 13.41 H new ATOM 0 HD3 PRO A 103 1.008 2.346 9.132 1.00 13.41 H new ATOM 1599 N VAL A 104 3.672 2.317 4.551 1.00 64.44 N ATOM 1600 CA VAL A 104 4.990 2.136 3.973 1.00 21.42 C ATOM 1601 C VAL A 104 5.280 3.268 2.992 1.00 2.05 C ATOM 1602 O VAL A 104 4.704 3.326 1.901 1.00 72.55 O ATOM 1603 CB VAL A 104 5.114 0.776 3.250 1.00 1.10 C ATOM 1604 CG1 VAL A 104 6.522 0.581 2.702 1.00 44.12 C ATOM 1605 CG2 VAL A 104 4.740 -0.361 4.190 1.00 63.33 C ATOM 0 H VAL A 104 2.921 1.844 4.049 1.00 64.44 H new ATOM 0 HA VAL A 104 5.717 2.151 4.785 1.00 21.42 H new ATOM 0 HB VAL A 104 4.421 0.770 2.409 1.00 1.10 H new ATOM 0 HG11 VAL A 104 6.586 -0.383 2.197 1.00 44.12 H new ATOM 0 HG12 VAL A 104 6.750 1.377 1.994 1.00 44.12 H new ATOM 0 HG13 VAL A 104 7.239 0.609 3.523 1.00 44.12 H new ATOM 0 HG21 VAL A 104 4.833 -1.312 3.666 1.00 63.33 H new ATOM 0 HG22 VAL A 104 5.408 -0.355 5.052 1.00 63.33 H new ATOM 0 HG23 VAL A 104 3.712 -0.231 4.527 1.00 63.33 H new ATOM 1615 N PHE A 105 6.153 4.169 3.390 1.00 2.35 N ATOM 1616 CA PHE A 105 6.483 5.328 2.579 1.00 14.14 C ATOM 1617 C PHE A 105 7.339 4.940 1.379 1.00 45.04 C ATOM 1618 O PHE A 105 8.345 4.249 1.520 1.00 21.30 O ATOM 1619 CB PHE A 105 7.200 6.381 3.425 1.00 55.24 C ATOM 1620 CG PHE A 105 6.390 6.865 4.596 1.00 61.33 C ATOM 1621 CD1 PHE A 105 5.430 7.845 4.430 1.00 53.12 C ATOM 1622 CD2 PHE A 105 6.592 6.340 5.862 1.00 42.43 C ATOM 1623 CE1 PHE A 105 4.684 8.294 5.501 1.00 23.31 C ATOM 1624 CE2 PHE A 105 5.850 6.785 6.938 1.00 2.34 C ATOM 1625 CZ PHE A 105 4.894 7.764 6.757 1.00 54.03 C ATOM 0 H PHE A 105 6.652 4.122 4.278 1.00 2.35 H new ATOM 0 HA PHE A 105 5.551 5.750 2.203 1.00 14.14 H new ATOM 0 HB2 PHE A 105 8.139 5.964 3.790 1.00 55.24 H new ATOM 0 HB3 PHE A 105 7.454 7.232 2.793 1.00 55.24 H new ATOM 0 HD1 PHE A 105 5.261 8.265 3.449 1.00 53.12 H new ATOM 0 HD2 PHE A 105 7.339 5.574 6.009 1.00 42.43 H new ATOM 0 HE1 PHE A 105 3.936 9.060 5.356 1.00 23.31 H new ATOM 0 HE2 PHE A 105 6.017 6.368 7.920 1.00 2.34 H new ATOM 0 HZ PHE A 105 4.312 8.114 7.597 1.00 54.03 H new ATOM 1635 N THR A 106 6.927 5.385 0.204 1.00 42.21 N ATOM 1636 CA THR A 106 7.647 5.107 -1.027 1.00 12.24 C ATOM 1637 C THR A 106 7.798 6.382 -1.861 1.00 23.12 C ATOM 1638 O THR A 106 7.523 7.484 -1.374 1.00 2.33 O ATOM 1639 CB THR A 106 6.939 4.017 -1.862 1.00 52.22 C ATOM 1640 OG1 THR A 106 5.544 4.325 -1.983 1.00 44.43 O ATOM 1641 CG2 THR A 106 7.111 2.643 -1.222 1.00 32.42 C ATOM 0 H THR A 106 6.086 5.948 0.077 1.00 42.21 H new ATOM 0 HA THR A 106 8.635 4.739 -0.752 1.00 12.24 H new ATOM 0 HB THR A 106 7.394 3.995 -2.852 1.00 52.22 H new ATOM 0 HG1 THR A 106 5.039 3.499 -2.135 1.00 44.43 H new ATOM 0 HG21 THR A 106 6.604 1.893 -1.829 1.00 32.42 H new ATOM 0 HG22 THR A 106 8.172 2.401 -1.159 1.00 32.42 H new ATOM 0 HG23 THR A 106 6.680 2.652 -0.221 1.00 32.42 H new ATOM 1649 N ASP A 107 8.229 6.235 -3.105 1.00 23.03 N ATOM 1650 CA ASP A 107 8.446 7.386 -3.982 1.00 10.31 C ATOM 1651 C ASP A 107 7.138 7.902 -4.583 1.00 14.23 C ATOM 1652 O ASP A 107 6.936 9.109 -4.703 1.00 33.23 O ATOM 1653 CB ASP A 107 9.432 7.033 -5.094 1.00 24.42 C ATOM 1654 CG ASP A 107 9.771 8.220 -5.975 1.00 60.23 C ATOM 1655 OD1 ASP A 107 10.586 9.066 -5.555 1.00 10.21 O ATOM 1656 OD2 ASP A 107 9.239 8.300 -7.097 1.00 25.14 O ATOM 0 H ASP A 107 8.436 5.333 -3.534 1.00 23.03 H new ATOM 0 HA ASP A 107 8.866 8.184 -3.370 1.00 10.31 H new ATOM 0 HB2 ASP A 107 10.348 6.641 -4.651 1.00 24.42 H new ATOM 0 HB3 ASP A 107 9.010 6.238 -5.709 1.00 24.42 H new ATOM 1661 N SER A 108 6.244 6.991 -4.954 1.00 23.43 N ATOM 1662 CA SER A 108 4.975 7.393 -5.549 1.00 72.23 C ATOM 1663 C SER A 108 3.963 7.807 -4.482 1.00 21.54 C ATOM 1664 O SER A 108 2.933 8.414 -4.794 1.00 14.41 O ATOM 1665 CB SER A 108 4.392 6.272 -6.419 1.00 61.33 C ATOM 1666 OG SER A 108 3.145 6.667 -6.980 1.00 20.01 O ATOM 0 H SER A 108 6.372 5.984 -4.855 1.00 23.43 H new ATOM 0 HA SER A 108 5.177 8.257 -6.182 1.00 72.23 H new ATOM 0 HB2 SER A 108 5.092 6.022 -7.216 1.00 61.33 H new ATOM 0 HB3 SER A 108 4.258 5.372 -5.819 1.00 61.33 H new ATOM 0 HG SER A 108 3.302 7.290 -7.720 1.00 20.01 H new ATOM 1672 N GLY A 109 4.249 7.479 -3.238 1.00 22.53 N ATOM 1673 CA GLY A 109 3.347 7.821 -2.172 1.00 51.33 C ATOM 1674 C GLY A 109 3.486 6.903 -0.995 1.00 11.11 C ATOM 1675 O GLY A 109 4.590 6.474 -0.662 1.00 55.40 O ATOM 0 H GLY A 109 5.091 6.981 -2.948 1.00 22.53 H new ATOM 0 HA2 GLY A 109 3.535 8.847 -1.855 1.00 51.33 H new ATOM 0 HA3 GLY A 109 2.322 7.784 -2.540 1.00 51.33 H new ATOM 1679 N ILE A 110 2.381 6.590 -0.370 1.00 64.15 N ATOM 1680 CA ILE A 110 2.385 5.718 0.781 1.00 21.30 C ATOM 1681 C ILE A 110 1.639 4.431 0.458 1.00 74.20 C ATOM 1682 O ILE A 110 0.500 4.468 -0.011 1.00 31.21 O ATOM 1683 CB ILE A 110 1.731 6.403 2.000 1.00 4.42 C ATOM 1684 CG1 ILE A 110 2.366 7.779 2.241 1.00 50.22 C ATOM 1685 CG2 ILE A 110 1.872 5.527 3.239 1.00 5.21 C ATOM 1686 CD1 ILE A 110 1.693 8.586 3.331 1.00 34.43 C ATOM 0 H ILE A 110 1.457 6.928 -0.640 1.00 64.15 H new ATOM 0 HA ILE A 110 3.421 5.489 1.029 1.00 21.30 H new ATOM 0 HB ILE A 110 0.670 6.542 1.794 1.00 4.42 H new ATOM 0 HG12 ILE A 110 3.416 7.643 2.500 1.00 50.22 H new ATOM 0 HG13 ILE A 110 2.338 8.348 1.312 1.00 50.22 H new ATOM 0 HG21 ILE A 110 1.406 6.023 4.090 1.00 5.21 H new ATOM 0 HG22 ILE A 110 1.382 4.569 3.065 1.00 5.21 H new ATOM 0 HG23 ILE A 110 2.929 5.361 3.449 1.00 5.21 H new ATOM 0 HD11 ILE A 110 2.200 9.545 3.440 1.00 34.43 H new ATOM 0 HD12 ILE A 110 0.649 8.756 3.066 1.00 34.43 H new ATOM 0 HD13 ILE A 110 1.744 8.039 4.273 1.00 34.43 H new ATOM 1698 N HIS A 111 2.288 3.304 0.684 1.00 21.31 N ATOM 1699 CA HIS A 111 1.683 2.012 0.417 1.00 30.42 C ATOM 1700 C HIS A 111 1.236 1.345 1.697 1.00 62.22 C ATOM 1701 O HIS A 111 2.004 1.222 2.644 1.00 21.51 O ATOM 1702 CB HIS A 111 2.652 1.070 -0.310 1.00 21.43 C ATOM 1703 CG HIS A 111 2.823 1.333 -1.775 1.00 13.04 C ATOM 1704 ND1 HIS A 111 3.815 1.949 -2.449 1.00 23.10 N flip ATOM 1705 CD2 HIS A 111 1.932 0.897 -2.733 1.00 61.43 C flip ATOM 1706 CE1 HIS A 111 3.517 1.871 -3.783 1.00 42.23 C flip ATOM 1707 NE2 HIS A 111 2.378 1.231 -3.926 1.00 54.31 N flip ATOM 0 H HIS A 111 3.238 3.257 1.053 1.00 21.31 H new ATOM 0 HA HIS A 111 0.820 2.201 -0.222 1.00 30.42 H new ATOM 0 HB2 HIS A 111 3.628 1.138 0.171 1.00 21.43 H new ATOM 0 HB3 HIS A 111 2.303 0.046 -0.180 1.00 21.43 H new ATOM 0 HD2 HIS A 111 1.013 0.365 -2.536 1.00 61.43 H new ATOM 0 HE1 HIS A 111 4.119 2.270 -4.586 1.00 42.23 H new ATOM 0 HE2 HIS A 111 1.917 1.027 -4.813 1.00 54.31 H new ATOM 1716 N ILE A 112 0.000 0.926 1.724 1.00 44.31 N ATOM 1717 CA ILE A 112 -0.512 0.164 2.832 1.00 32.33 C ATOM 1718 C ILE A 112 -0.423 -1.298 2.459 1.00 61.25 C ATOM 1719 O ILE A 112 -1.113 -1.750 1.547 1.00 13.32 O ATOM 1720 CB ILE A 112 -1.984 0.509 3.150 1.00 35.30 C ATOM 1721 CG1 ILE A 112 -2.170 2.023 3.268 1.00 71.50 C ATOM 1722 CG2 ILE A 112 -2.417 -0.181 4.441 1.00 24.14 C ATOM 1723 CD1 ILE A 112 -3.608 2.446 3.493 1.00 32.02 C ATOM 0 H ILE A 112 -0.678 1.102 0.983 1.00 44.31 H new ATOM 0 HA ILE A 112 0.076 0.399 3.719 1.00 32.33 H new ATOM 0 HB ILE A 112 -2.609 0.150 2.332 1.00 35.30 H new ATOM 0 HG12 ILE A 112 -1.559 2.392 4.092 1.00 71.50 H new ATOM 0 HG13 ILE A 112 -1.799 2.497 2.359 1.00 71.50 H new ATOM 0 HG21 ILE A 112 -3.456 0.069 4.656 1.00 24.14 H new ATOM 0 HG22 ILE A 112 -2.319 -1.261 4.327 1.00 24.14 H new ATOM 0 HG23 ILE A 112 -1.785 0.156 5.263 1.00 24.14 H new ATOM 0 HD11 ILE A 112 -3.660 3.532 3.566 1.00 32.02 H new ATOM 0 HD12 ILE A 112 -4.221 2.109 2.658 1.00 32.02 H new ATOM 0 HD13 ILE A 112 -3.978 2.002 4.417 1.00 32.02 H new ATOM 1735 N ILE A 113 0.453 -2.020 3.113 1.00 31.24 N ATOM 1736 CA ILE A 113 0.649 -3.420 2.799 1.00 33.44 C ATOM 1737 C ILE A 113 -0.031 -4.314 3.825 1.00 12.23 C ATOM 1738 O ILE A 113 0.160 -4.153 5.031 1.00 75.13 O ATOM 1739 CB ILE A 113 2.155 -3.773 2.705 1.00 14.23 C ATOM 1740 CG1 ILE A 113 2.821 -2.943 1.598 1.00 43.34 C ATOM 1741 CG2 ILE A 113 2.346 -5.266 2.447 1.00 52.31 C ATOM 1742 CD1 ILE A 113 4.307 -3.194 1.449 1.00 32.51 C ATOM 0 H ILE A 113 1.043 -1.665 3.866 1.00 31.24 H new ATOM 0 HA ILE A 113 0.192 -3.597 1.825 1.00 33.44 H new ATOM 0 HB ILE A 113 2.629 -3.533 3.657 1.00 14.23 H new ATOM 0 HG12 ILE A 113 2.329 -3.160 0.650 1.00 43.34 H new ATOM 0 HG13 ILE A 113 2.661 -1.885 1.805 1.00 43.34 H new ATOM 0 HG21 ILE A 113 3.411 -5.491 2.385 1.00 52.31 H new ATOM 0 HG22 ILE A 113 1.902 -5.836 3.263 1.00 52.31 H new ATOM 0 HG23 ILE A 113 1.862 -5.538 1.509 1.00 52.31 H new ATOM 0 HD11 ILE A 113 4.703 -2.570 0.647 1.00 32.51 H new ATOM 0 HD12 ILE A 113 4.813 -2.949 2.383 1.00 32.51 H new ATOM 0 HD13 ILE A 113 4.476 -4.244 1.209 1.00 32.51 H new ATOM 1754 N LEU A 114 -0.828 -5.239 3.336 1.00 70.11 N ATOM 1755 CA LEU A 114 -1.528 -6.190 4.178 1.00 22.44 C ATOM 1756 C LEU A 114 -1.374 -7.582 3.602 1.00 71.35 C ATOM 1757 O LEU A 114 -1.505 -7.772 2.398 1.00 2.02 O ATOM 1758 CB LEU A 114 -3.020 -5.828 4.257 1.00 14.15 C ATOM 1759 CG LEU A 114 -3.940 -6.880 4.899 1.00 54.55 C ATOM 1760 CD1 LEU A 114 -3.697 -6.984 6.391 1.00 25.24 C ATOM 1761 CD2 LEU A 114 -5.393 -6.560 4.620 1.00 42.20 C ATOM 0 H LEU A 114 -1.011 -5.355 2.339 1.00 70.11 H new ATOM 0 HA LEU A 114 -1.102 -6.159 5.181 1.00 22.44 H new ATOM 0 HB2 LEU A 114 -3.118 -4.899 4.818 1.00 14.15 H new ATOM 0 HB3 LEU A 114 -3.379 -5.630 3.247 1.00 14.15 H new ATOM 0 HG LEU A 114 -3.705 -7.846 4.452 1.00 54.55 H new ATOM 0 HD11 LEU A 114 -4.362 -7.736 6.816 1.00 25.24 H new ATOM 0 HD12 LEU A 114 -2.661 -7.272 6.572 1.00 25.24 H new ATOM 0 HD13 LEU A 114 -3.893 -6.019 6.860 1.00 25.24 H new ATOM 0 HD21 LEU A 114 -6.027 -7.316 5.083 1.00 42.20 H new ATOM 0 HD22 LEU A 114 -5.636 -5.581 5.033 1.00 42.20 H new ATOM 0 HD23 LEU A 114 -5.564 -6.552 3.543 1.00 42.20 H new ATOM 1773 N ARG A 115 -1.098 -8.550 4.447 1.00 43.03 N ATOM 1774 CA ARG A 115 -0.979 -9.915 3.990 1.00 40.12 C ATOM 1775 C ARG A 115 -2.311 -10.615 4.051 1.00 2.44 C ATOM 1776 O ARG A 115 -2.837 -10.866 5.133 1.00 74.41 O ATOM 1777 CB ARG A 115 0.059 -10.699 4.801 1.00 24.13 C ATOM 1778 CG ARG A 115 1.472 -10.604 4.252 1.00 71.41 C ATOM 1779 CD ARG A 115 2.445 -11.445 5.068 1.00 11.40 C ATOM 1780 NE ARG A 115 2.095 -12.866 5.072 1.00 14.31 N ATOM 1781 CZ ARG A 115 2.908 -13.846 5.472 1.00 71.25 C ATOM 1782 NH1 ARG A 115 4.147 -13.577 5.874 1.00 41.42 N ATOM 1783 NH2 ARG A 115 2.472 -15.093 5.470 1.00 50.51 N ATOM 0 H ARG A 115 -0.953 -8.418 5.448 1.00 43.03 H new ATOM 0 HA ARG A 115 -0.640 -9.879 2.955 1.00 40.12 H new ATOM 0 HB2 ARG A 115 0.054 -10.334 5.828 1.00 24.13 H new ATOM 0 HB3 ARG A 115 -0.237 -11.747 4.834 1.00 24.13 H new ATOM 0 HG2 ARG A 115 1.483 -10.937 3.214 1.00 71.41 H new ATOM 0 HG3 ARG A 115 1.796 -9.563 4.257 1.00 71.41 H new ATOM 0 HD2 ARG A 115 3.451 -11.324 4.665 1.00 11.40 H new ATOM 0 HD3 ARG A 115 2.466 -11.077 6.094 1.00 11.40 H new ATOM 0 HE ARG A 115 1.164 -13.126 4.746 1.00 14.31 H new ATOM 0 HH11 ARG A 115 4.484 -12.614 5.879 1.00 41.42 H new ATOM 0 HH12 ARG A 115 4.760 -14.333 6.178 1.00 41.42 H new ATOM 0 HH21 ARG A 115 1.521 -15.300 5.164 1.00 50.51 H new ATOM 0 HH22 ARG A 115 3.086 -15.848 5.774 1.00 50.51 H new ATOM 1797 N THR A 116 -2.866 -10.910 2.887 1.00 52.43 N ATOM 1798 CA THR A 116 -4.095 -11.665 2.805 1.00 75.12 C ATOM 1799 C THR A 116 -3.821 -13.098 3.225 1.00 61.02 C ATOM 1800 O THR A 116 -4.721 -13.841 3.623 1.00 62.22 O ATOM 1801 CB THR A 116 -4.666 -11.629 1.378 1.00 63.41 C ATOM 1802 OG1 THR A 116 -3.586 -11.665 0.428 1.00 11.54 O ATOM 1803 CG2 THR A 116 -5.495 -10.371 1.161 1.00 2.43 C ATOM 0 H THR A 116 -2.479 -10.634 1.984 1.00 52.43 H new ATOM 0 HA THR A 116 -4.834 -11.219 3.471 1.00 75.12 H new ATOM 0 HB THR A 116 -5.310 -12.497 1.238 1.00 63.41 H new ATOM 0 HG1 THR A 116 -3.950 -11.644 -0.482 1.00 11.54 H new ATOM 0 HG21 THR A 116 -5.889 -10.366 0.145 1.00 2.43 H new ATOM 0 HG22 THR A 116 -6.322 -10.353 1.871 1.00 2.43 H new ATOM 0 HG23 THR A 116 -4.868 -9.492 1.311 1.00 2.43 H new ATOM 1811 N GLU A 117 -2.557 -13.467 3.130 1.00 63.41 N ATOM 1812 CA GLU A 117 -2.081 -14.747 3.572 1.00 5.13 C ATOM 1813 C GLU A 117 -1.275 -14.549 4.847 1.00 70.12 C ATOM 1814 O GLU A 117 -0.036 -14.588 4.773 1.00 0.00 O ATOM 1815 CB GLU A 117 -1.196 -15.379 2.496 1.00 4.04 C ATOM 1816 CG GLU A 117 -1.924 -15.728 1.211 1.00 12.40 C ATOM 1817 CD GLU A 117 -2.917 -16.847 1.396 1.00 63.41 C ATOM 1818 OE1 GLU A 117 -2.485 -17.999 1.597 1.00 4.42 O ATOM 1819 OE2 GLU A 117 -4.131 -16.590 1.322 1.00 42.22 O ATOM 1820 OXT GLU A 117 -1.887 -14.296 5.903 1.00 0.00 O ATOM 0 H GLU A 117 -1.829 -12.871 2.737 1.00 63.41 H new ATOM 0 HA GLU A 117 -2.926 -15.409 3.760 1.00 5.13 H new ATOM 0 HB2 GLU A 117 -0.382 -14.693 2.263 1.00 4.04 H new ATOM 0 HB3 GLU A 117 -0.744 -16.284 2.900 1.00 4.04 H new ATOM 0 HG2 GLU A 117 -2.442 -14.844 0.839 1.00 12.40 H new ATOM 0 HG3 GLU A 117 -1.197 -16.014 0.451 1.00 12.40 H new TER 1827 GLU A 117