USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=32 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 12 SER OG : rot 180:sc= 0.332 USER MOD Set 1.2: A 116 THR OG1 : rot -147:sc= 0.94 USER MOD Set 2.1: A 106 THR OG1 : rot 138:sc= 0.909 USER MOD Set 2.2: A 111 HIS :FLIP no HD1:sc= -2.17! C(o=-3.5!,f=-1.3!) USER MOD Set 3.1: A 29 GLN : amide:sc= -3.45! C(o=-3.4!,f=-9.7!) USER MOD Set 3.2: A 33 THR OG1 : rot 180:sc= 0.0269 USER MOD Set 4.1: A 17 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0) USER MOD Set 4.2: A 26 SER OG : rot 70:sc= 1.09 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0658 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 170:sc= -2.47! USER MOD Single : A 13 HIS : no HE2:sc= -5.43 K(o=-5.4,f=-9.5!) USER MOD Single : A 18 HIS : no HE2:sc= -1.65! K(o=-1.6!,f=-3) USER MOD Single : A 19 SER OG : rot -46:sc= 1.22 USER MOD Single : A 20 GLN : amide:sc= -0.0917 X(o=-0.092,f=-0.11) USER MOD Single : A 21 SER OG : rot 180:sc= -0.223 USER MOD Single : A 25 SER OG : rot -71:sc= 0.391 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc=-0.00223 (180deg=-0.0755) USER MOD Single : A 35 THR OG1 : rot -112:sc= 0.247 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.83) USER MOD Single : A 46 TYR OH : rot -55:sc= 1.29 USER MOD Single : A 48 GLN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 87:sc= 0.186 USER MOD Single : A 59 SER OG : rot 180:sc= -1.52! USER MOD Single : A 62 SER OG : rot 91:sc= -2.35! USER MOD Single : A 63 GLN : amide:sc= 0.996 K(o=1,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= -3.51! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -22:sc= 0.358 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.167 F(o=-2.1,f=-0.17) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 1.12 K(o=1.1,f=-0.25) USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.18) USER MOD Single : A 92 SER OG : rot 86:sc= 0.481 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 100 MET CE :methyl -164:sc= -0.838 (180deg=-1.29) USER MOD Single : A 101 SER OG : rot -83:sc= -1.49 USER MOD Single : A 108 SER OG : rot 100:sc= 0.887 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.782 -26.229 11.033 1.00 75.54 N ATOM 2 CA GLY A 1 4.296 -25.191 11.962 1.00 63.32 C ATOM 3 C GLY A 1 4.347 -23.822 11.335 1.00 75.45 C ATOM 4 O GLY A 1 4.432 -23.699 10.113 1.00 3.33 O ATOM 0 H1 GLY A 1 4.057 -26.967 10.926 1.00 75.54 H new ATOM 0 H2 GLY A 1 4.979 -25.801 10.106 1.00 75.54 H new ATOM 0 H3 GLY A 1 5.653 -26.653 11.411 1.00 75.54 H new ATOM 0 HA2 GLY A 1 3.272 -25.418 12.260 1.00 63.32 H new ATOM 0 HA3 GLY A 1 4.901 -25.200 12.868 1.00 63.32 H new ATOM 10 N SER A 2 4.298 -22.792 12.157 1.00 33.41 N ATOM 11 CA SER A 2 4.344 -21.430 11.671 1.00 34.51 C ATOM 12 C SER A 2 5.701 -21.132 11.037 1.00 13.52 C ATOM 13 O SER A 2 6.713 -20.995 11.733 1.00 61.43 O ATOM 14 CB SER A 2 4.054 -20.463 12.812 1.00 74.12 C ATOM 15 OG SER A 2 2.807 -20.776 13.424 1.00 54.21 O ATOM 0 H SER A 2 4.226 -22.875 13.171 1.00 33.41 H new ATOM 0 HA SER A 2 3.580 -21.302 10.904 1.00 34.51 H new ATOM 0 HB2 SER A 2 4.852 -20.514 13.552 1.00 74.12 H new ATOM 0 HB3 SER A 2 4.034 -19.441 12.434 1.00 74.12 H new ATOM 0 HG SER A 2 2.635 -20.148 14.156 1.00 54.21 H new ATOM 21 N HIS A 3 5.716 -21.047 9.720 1.00 0.31 N ATOM 22 CA HIS A 3 6.937 -20.812 8.983 1.00 14.41 C ATOM 23 C HIS A 3 7.153 -19.318 8.791 1.00 12.04 C ATOM 24 O HIS A 3 6.628 -18.715 7.851 1.00 64.40 O ATOM 25 CB HIS A 3 6.886 -21.536 7.627 1.00 35.34 C ATOM 26 CG HIS A 3 8.190 -21.555 6.878 1.00 12.11 C ATOM 27 ND1 HIS A 3 8.452 -20.740 5.800 1.00 14.22 N ATOM 28 CD2 HIS A 3 9.297 -22.320 7.042 1.00 3.05 C ATOM 29 CE1 HIS A 3 9.658 -21.001 5.335 1.00 55.15 C ATOM 30 NE2 HIS A 3 10.191 -21.955 6.071 1.00 20.21 N ATOM 0 H HIS A 3 4.885 -21.139 9.136 1.00 0.31 H new ATOM 0 HA HIS A 3 7.777 -21.210 9.552 1.00 14.41 H new ATOM 0 HB2 HIS A 3 6.561 -22.563 7.791 1.00 35.34 H new ATOM 0 HB3 HIS A 3 6.131 -21.058 7.003 1.00 35.34 H new ATOM 0 HD2 HIS A 3 9.446 -23.077 7.798 1.00 3.05 H new ATOM 0 HE1 HIS A 3 10.129 -20.515 4.493 1.00 55.15 H new ATOM 0 HE2 HIS A 3 11.119 -22.357 5.939 1.00 20.21 H new ATOM 39 N MET A 4 7.894 -18.722 9.703 1.00 2.02 N ATOM 40 CA MET A 4 8.186 -17.305 9.639 1.00 51.44 C ATOM 41 C MET A 4 9.446 -17.066 8.823 1.00 52.14 C ATOM 42 O MET A 4 10.061 -18.022 8.338 1.00 61.11 O ATOM 43 CB MET A 4 8.323 -16.716 11.049 1.00 43.12 C ATOM 44 CG MET A 4 7.044 -16.810 11.870 1.00 13.33 C ATOM 45 SD MET A 4 7.212 -16.117 13.528 1.00 71.34 S ATOM 46 CE MET A 4 5.558 -16.389 14.167 1.00 12.42 C ATOM 0 H MET A 4 8.307 -19.201 10.503 1.00 2.02 H new ATOM 0 HA MET A 4 7.356 -16.799 9.145 1.00 51.44 H new ATOM 0 HB2 MET A 4 9.123 -17.236 11.576 1.00 43.12 H new ATOM 0 HB3 MET A 4 8.620 -15.670 10.971 1.00 43.12 H new ATOM 0 HG2 MET A 4 6.243 -16.289 11.345 1.00 13.33 H new ATOM 0 HG3 MET A 4 6.746 -17.856 11.949 1.00 13.33 H new ATOM 0 HE1 MET A 4 5.496 -16.014 15.189 1.00 12.42 H new ATOM 0 HE2 MET A 4 4.836 -15.863 13.543 1.00 12.42 H new ATOM 0 HE3 MET A 4 5.336 -17.456 14.158 1.00 12.42 H new ATOM 56 N GLU A 5 9.822 -15.798 8.672 1.00 63.24 N ATOM 57 CA GLU A 5 10.982 -15.408 7.855 1.00 12.53 C ATOM 58 C GLU A 5 10.913 -16.047 6.461 1.00 2.14 C ATOM 59 O GLU A 5 11.828 -16.755 6.049 1.00 32.44 O ATOM 60 CB GLU A 5 12.308 -15.781 8.544 1.00 11.21 C ATOM 61 CG GLU A 5 12.690 -14.888 9.720 1.00 43.03 C ATOM 62 CD GLU A 5 11.739 -15.004 10.884 1.00 22.32 C ATOM 63 OE1 GLU A 5 11.824 -16.003 11.625 1.00 21.42 O ATOM 64 OE2 GLU A 5 10.897 -14.097 11.063 1.00 64.35 O ATOM 0 H GLU A 5 9.339 -15.012 9.107 1.00 63.24 H new ATOM 0 HA GLU A 5 10.950 -14.324 7.744 1.00 12.53 H new ATOM 0 HB2 GLU A 5 12.242 -16.811 8.894 1.00 11.21 H new ATOM 0 HB3 GLU A 5 13.108 -15.746 7.804 1.00 11.21 H new ATOM 0 HG2 GLU A 5 13.695 -15.146 10.053 1.00 43.03 H new ATOM 0 HG3 GLU A 5 12.721 -13.851 9.386 1.00 43.03 H new ATOM 71 N PRO A 6 9.825 -15.797 5.712 1.00 73.01 N ATOM 72 CA PRO A 6 9.617 -16.391 4.402 1.00 25.44 C ATOM 73 C PRO A 6 10.384 -15.659 3.312 1.00 14.21 C ATOM 74 O PRO A 6 10.810 -14.513 3.494 1.00 61.41 O ATOM 75 CB PRO A 6 8.097 -16.240 4.176 1.00 2.03 C ATOM 76 CG PRO A 6 7.562 -15.614 5.431 1.00 43.34 C ATOM 77 CD PRO A 6 8.716 -14.918 6.067 1.00 54.55 C ATOM 0 HA PRO A 6 9.969 -17.422 4.362 1.00 25.44 H new ATOM 0 HB2 PRO A 6 7.890 -15.615 3.307 1.00 2.03 H new ATOM 0 HB3 PRO A 6 7.630 -17.207 3.991 1.00 2.03 H new ATOM 0 HG2 PRO A 6 6.759 -14.912 5.205 1.00 43.34 H new ATOM 0 HG3 PRO A 6 7.147 -16.370 6.098 1.00 43.34 H new ATOM 0 HD2 PRO A 6 8.852 -13.910 5.676 1.00 54.55 H new ATOM 0 HD3 PRO A 6 8.595 -14.828 7.146 1.00 54.55 H new ATOM 85 N ALA A 7 10.566 -16.322 2.193 1.00 54.54 N ATOM 86 CA ALA A 7 11.244 -15.734 1.060 1.00 45.43 C ATOM 87 C ALA A 7 10.225 -15.138 0.107 1.00 1.11 C ATOM 88 O ALA A 7 10.526 -14.221 -0.653 1.00 75.23 O ATOM 89 CB ALA A 7 12.086 -16.778 0.352 1.00 34.04 C ATOM 0 H ALA A 7 10.250 -17.280 2.042 1.00 54.54 H new ATOM 0 HA ALA A 7 11.905 -14.941 1.411 1.00 45.43 H new ATOM 0 HB1 ALA A 7 12.591 -16.322 -0.499 1.00 34.04 H new ATOM 0 HB2 ALA A 7 12.828 -17.177 1.043 1.00 34.04 H new ATOM 0 HB3 ALA A 7 11.444 -17.587 0.002 1.00 34.04 H new ATOM 95 N ARG A 8 9.009 -15.668 0.169 1.00 3.41 N ATOM 96 CA ARG A 8 7.913 -15.209 -0.665 1.00 2.21 C ATOM 97 C ARG A 8 6.636 -15.113 0.158 1.00 24.04 C ATOM 98 O ARG A 8 6.196 -16.101 0.746 1.00 25.23 O ATOM 99 CB ARG A 8 7.691 -16.165 -1.843 1.00 62.31 C ATOM 100 CG ARG A 8 8.852 -16.234 -2.823 1.00 33.31 C ATOM 101 CD ARG A 8 8.570 -17.223 -3.939 1.00 65.31 C ATOM 102 NE ARG A 8 7.359 -16.874 -4.690 1.00 21.04 N ATOM 103 CZ ARG A 8 6.406 -17.748 -5.044 1.00 44.10 C ATOM 104 NH1 ARG A 8 6.500 -19.030 -4.694 1.00 43.21 N ATOM 105 NH2 ARG A 8 5.353 -17.329 -5.735 1.00 12.30 N ATOM 0 H ARG A 8 8.759 -16.429 0.801 1.00 3.41 H new ATOM 0 HA ARG A 8 8.170 -14.224 -1.055 1.00 2.21 H new ATOM 0 HB2 ARG A 8 7.501 -17.165 -1.453 1.00 62.31 H new ATOM 0 HB3 ARG A 8 6.795 -15.857 -2.381 1.00 62.31 H new ATOM 0 HG2 ARG A 8 9.033 -15.246 -3.246 1.00 33.31 H new ATOM 0 HG3 ARG A 8 9.760 -16.526 -2.295 1.00 33.31 H new ATOM 0 HD2 ARG A 8 9.421 -17.255 -4.619 1.00 65.31 H new ATOM 0 HD3 ARG A 8 8.460 -18.223 -3.518 1.00 65.31 H new ATOM 0 HE ARG A 8 7.233 -15.899 -4.962 1.00 21.04 H new ATOM 0 HH11 ARG A 8 7.302 -19.353 -4.152 1.00 43.21 H new ATOM 0 HH12 ARG A 8 5.770 -19.688 -4.968 1.00 43.21 H new ATOM 0 HH21 ARG A 8 5.272 -16.346 -5.994 1.00 12.30 H new ATOM 0 HH22 ARG A 8 4.625 -17.990 -6.007 1.00 12.30 H new ATOM 119 N VAL A 9 6.052 -13.930 0.209 1.00 11.43 N ATOM 120 CA VAL A 9 4.817 -13.721 0.957 1.00 3.41 C ATOM 121 C VAL A 9 3.755 -13.112 0.069 1.00 3.02 C ATOM 122 O VAL A 9 4.069 -12.504 -0.958 1.00 52.32 O ATOM 123 CB VAL A 9 5.020 -12.798 2.188 1.00 21.21 C ATOM 124 CG1 VAL A 9 5.980 -13.422 3.179 1.00 22.13 C ATOM 125 CG2 VAL A 9 5.507 -11.417 1.763 1.00 64.32 C ATOM 0 H VAL A 9 6.410 -13.096 -0.257 1.00 11.43 H new ATOM 0 HA VAL A 9 4.501 -14.703 1.309 1.00 3.41 H new ATOM 0 HB VAL A 9 4.054 -12.679 2.678 1.00 21.21 H new ATOM 0 HG11 VAL A 9 6.106 -12.756 4.033 1.00 22.13 H new ATOM 0 HG12 VAL A 9 5.581 -14.377 3.520 1.00 22.13 H new ATOM 0 HG13 VAL A 9 6.945 -13.582 2.699 1.00 22.13 H new ATOM 0 HG21 VAL A 9 5.641 -10.791 2.645 1.00 64.32 H new ATOM 0 HG22 VAL A 9 6.457 -11.512 1.238 1.00 64.32 H new ATOM 0 HG23 VAL A 9 4.771 -10.959 1.102 1.00 64.32 H new ATOM 135 N ARG A 10 2.505 -13.284 0.450 1.00 12.24 N ATOM 136 CA ARG A 10 1.411 -12.696 -0.281 1.00 75.32 C ATOM 137 C ARG A 10 0.814 -11.554 0.518 1.00 32.34 C ATOM 138 O ARG A 10 0.178 -11.769 1.556 1.00 34.05 O ATOM 139 CB ARG A 10 0.335 -13.733 -0.598 1.00 43.22 C ATOM 140 CG ARG A 10 -0.854 -13.152 -1.342 1.00 43.40 C ATOM 141 CD ARG A 10 -1.926 -14.190 -1.597 1.00 11.21 C ATOM 142 NE ARG A 10 -3.102 -13.605 -2.242 1.00 30.45 N ATOM 143 CZ ARG A 10 -4.253 -14.248 -2.444 1.00 31.30 C ATOM 144 NH1 ARG A 10 -4.391 -15.517 -2.074 1.00 11.54 N ATOM 145 NH2 ARG A 10 -5.258 -13.623 -3.029 1.00 2.21 N ATOM 0 H ARG A 10 2.225 -13.829 1.266 1.00 12.24 H new ATOM 0 HA ARG A 10 1.798 -12.315 -1.226 1.00 75.32 H new ATOM 0 HB2 ARG A 10 0.774 -14.532 -1.195 1.00 43.22 H new ATOM 0 HB3 ARG A 10 -0.011 -14.184 0.332 1.00 43.22 H new ATOM 0 HG2 ARG A 10 -1.276 -12.329 -0.765 1.00 43.40 H new ATOM 0 HG3 ARG A 10 -0.519 -12.736 -2.292 1.00 43.40 H new ATOM 0 HD2 ARG A 10 -1.522 -14.983 -2.226 1.00 11.21 H new ATOM 0 HD3 ARG A 10 -2.219 -14.650 -0.653 1.00 11.21 H new ATOM 0 HE ARG A 10 -3.037 -12.638 -2.559 1.00 30.45 H new ATOM 0 HH11 ARG A 10 -3.613 -16.007 -1.632 1.00 11.54 H new ATOM 0 HH12 ARG A 10 -5.275 -16.001 -2.232 1.00 11.54 H new ATOM 0 HH21 ARG A 10 -5.152 -12.652 -3.324 1.00 2.21 H new ATOM 0 HH22 ARG A 10 -6.140 -14.111 -3.186 1.00 2.21 H new ATOM 159 N CYS A 11 1.031 -10.350 0.051 1.00 32.11 N ATOM 160 CA CYS A 11 0.522 -9.175 0.715 1.00 31.51 C ATOM 161 C CYS A 11 -0.120 -8.239 -0.292 1.00 60.54 C ATOM 162 O CYS A 11 0.365 -8.096 -1.410 1.00 10.11 O ATOM 163 CB CYS A 11 1.650 -8.457 1.465 1.00 34.31 C ATOM 164 SG CYS A 11 2.431 -9.451 2.763 1.00 35.22 S ATOM 0 H CYS A 11 1.564 -10.156 -0.797 1.00 32.11 H new ATOM 0 HA CYS A 11 -0.235 -9.483 1.437 1.00 31.51 H new ATOM 0 HB2 CYS A 11 2.412 -8.154 0.747 1.00 34.31 H new ATOM 0 HB3 CYS A 11 1.252 -7.546 1.911 1.00 34.31 H new ATOM 0 HG CYS A 11 3.499 -8.845 3.191 1.00 35.22 H new ATOM 170 N SER A 12 -1.208 -7.618 0.100 1.00 11.22 N ATOM 171 CA SER A 12 -1.902 -6.687 -0.761 1.00 14.12 C ATOM 172 C SER A 12 -1.420 -5.266 -0.465 1.00 40.25 C ATOM 173 O SER A 12 -0.812 -5.021 0.585 1.00 43.13 O ATOM 174 CB SER A 12 -3.413 -6.805 -0.544 1.00 52.03 C ATOM 175 OG SER A 12 -3.851 -8.146 -0.734 1.00 61.22 O ATOM 0 H SER A 12 -1.635 -7.742 1.018 1.00 11.22 H new ATOM 0 HA SER A 12 -1.687 -6.920 -1.804 1.00 14.12 H new ATOM 0 HB2 SER A 12 -3.666 -6.475 0.463 1.00 52.03 H new ATOM 0 HB3 SER A 12 -3.936 -6.146 -1.237 1.00 52.03 H new ATOM 0 HG SER A 12 -4.819 -8.198 -0.589 1.00 61.22 H new ATOM 181 N HIS A 13 -1.684 -4.329 -1.371 1.00 24.45 N ATOM 182 CA HIS A 13 -1.183 -2.974 -1.185 1.00 30.53 C ATOM 183 C HIS A 13 -2.226 -1.896 -1.484 1.00 24.32 C ATOM 184 O HIS A 13 -3.167 -2.108 -2.247 1.00 62.24 O ATOM 185 CB HIS A 13 0.099 -2.733 -2.034 1.00 34.35 C ATOM 186 CG HIS A 13 -0.085 -2.788 -3.548 1.00 22.31 C ATOM 187 ND1 HIS A 13 0.925 -3.147 -4.415 1.00 63.05 N ATOM 188 CD2 HIS A 13 -1.148 -2.479 -4.337 1.00 2.54 C ATOM 189 CE1 HIS A 13 0.490 -3.055 -5.659 1.00 31.41 C ATOM 190 NE2 HIS A 13 -0.765 -2.651 -5.637 1.00 51.24 N ATOM 0 H HIS A 13 -2.228 -4.478 -2.221 1.00 24.45 H new ATOM 0 HA HIS A 13 -0.937 -2.888 -0.127 1.00 30.53 H new ATOM 0 HB2 HIS A 13 0.507 -1.757 -1.772 1.00 34.35 H new ATOM 0 HB3 HIS A 13 0.844 -3.476 -1.751 1.00 34.35 H new ATOM 0 HD1 HIS A 13 1.863 -3.438 -4.139 1.00 63.05 H new ATOM 0 HD2 HIS A 13 -2.121 -2.156 -3.997 1.00 2.54 H new ATOM 0 HE1 HIS A 13 1.066 -3.274 -6.546 1.00 31.41 H new ATOM 199 N LEU A 14 -2.037 -0.753 -0.856 1.00 14.40 N ATOM 200 CA LEU A 14 -2.826 0.441 -1.113 1.00 71.51 C ATOM 201 C LEU A 14 -1.854 1.570 -1.413 1.00 53.32 C ATOM 202 O LEU A 14 -0.904 1.776 -0.658 1.00 33.10 O ATOM 203 CB LEU A 14 -3.688 0.802 0.106 1.00 41.00 C ATOM 204 CG LEU A 14 -4.560 2.062 -0.037 1.00 33.52 C ATOM 205 CD1 LEU A 14 -5.671 1.847 -1.039 1.00 41.21 C ATOM 206 CD2 LEU A 14 -5.130 2.476 1.303 1.00 64.52 C ATOM 0 H LEU A 14 -1.321 -0.623 -0.141 1.00 14.40 H new ATOM 0 HA LEU A 14 -3.500 0.271 -1.952 1.00 71.51 H new ATOM 0 HB2 LEU A 14 -4.339 -0.043 0.330 1.00 41.00 H new ATOM 0 HB3 LEU A 14 -3.031 0.934 0.965 1.00 41.00 H new ATOM 0 HG LEU A 14 -3.923 2.866 -0.405 1.00 33.52 H new ATOM 0 HD11 LEU A 14 -6.270 2.754 -1.118 1.00 41.21 H new ATOM 0 HD12 LEU A 14 -5.242 1.609 -2.012 1.00 41.21 H new ATOM 0 HD13 LEU A 14 -6.303 1.022 -0.710 1.00 41.21 H new ATOM 0 HD21 LEU A 14 -5.743 3.369 1.178 1.00 64.52 H new ATOM 0 HD22 LEU A 14 -5.743 1.668 1.703 1.00 64.52 H new ATOM 0 HD23 LEU A 14 -4.315 2.690 1.995 1.00 64.52 H new ATOM 218 N LEU A 15 -2.061 2.277 -2.503 1.00 42.11 N ATOM 219 CA LEU A 15 -1.133 3.327 -2.893 1.00 55.43 C ATOM 220 C LEU A 15 -1.782 4.687 -2.944 1.00 14.25 C ATOM 221 O LEU A 15 -2.763 4.894 -3.650 1.00 10.40 O ATOM 222 CB LEU A 15 -0.485 3.016 -4.247 1.00 31.02 C ATOM 223 CG LEU A 15 0.306 4.170 -4.896 1.00 74.34 C ATOM 224 CD1 LEU A 15 1.457 4.617 -4.008 1.00 43.13 C ATOM 225 CD2 LEU A 15 0.817 3.765 -6.267 1.00 33.41 C ATOM 0 H LEU A 15 -2.854 2.149 -3.132 1.00 42.11 H new ATOM 0 HA LEU A 15 -0.364 3.354 -2.121 1.00 55.43 H new ATOM 0 HB2 LEU A 15 0.187 2.167 -4.120 1.00 31.02 H new ATOM 0 HB3 LEU A 15 -1.267 2.703 -4.939 1.00 31.02 H new ATOM 0 HG LEU A 15 -0.373 5.014 -5.015 1.00 74.34 H new ATOM 0 HD11 LEU A 15 1.995 5.431 -4.493 1.00 43.13 H new ATOM 0 HD12 LEU A 15 1.066 4.960 -3.050 1.00 43.13 H new ATOM 0 HD13 LEU A 15 2.136 3.780 -3.844 1.00 43.13 H new ATOM 0 HD21 LEU A 15 1.372 4.593 -6.708 1.00 33.41 H new ATOM 0 HD22 LEU A 15 1.472 2.900 -6.170 1.00 33.41 H new ATOM 0 HD23 LEU A 15 -0.026 3.511 -6.909 1.00 33.41 H new ATOM 237 N VAL A 16 -1.218 5.603 -2.188 1.00 1.52 N ATOM 238 CA VAL A 16 -1.628 6.982 -2.209 1.00 21.21 C ATOM 239 C VAL A 16 -0.419 7.838 -2.571 1.00 70.41 C ATOM 240 O VAL A 16 0.491 8.035 -1.751 1.00 44.53 O ATOM 241 CB VAL A 16 -2.212 7.432 -0.847 1.00 24.43 C ATOM 242 CG1 VAL A 16 -2.592 8.907 -0.879 1.00 72.32 C ATOM 243 CG2 VAL A 16 -3.419 6.584 -0.481 1.00 64.50 C ATOM 0 H VAL A 16 -0.457 5.406 -1.538 1.00 1.52 H new ATOM 0 HA VAL A 16 -2.418 7.102 -2.950 1.00 21.21 H new ATOM 0 HB VAL A 16 -1.443 7.294 -0.086 1.00 24.43 H new ATOM 0 HG11 VAL A 16 -3.000 9.199 0.089 1.00 72.32 H new ATOM 0 HG12 VAL A 16 -1.707 9.506 -1.096 1.00 72.32 H new ATOM 0 HG13 VAL A 16 -3.341 9.073 -1.653 1.00 72.32 H new ATOM 0 HG21 VAL A 16 -3.817 6.913 0.479 1.00 64.50 H new ATOM 0 HG22 VAL A 16 -4.186 6.692 -1.248 1.00 64.50 H new ATOM 0 HG23 VAL A 16 -3.121 5.538 -0.411 1.00 64.50 H new ATOM 253 N LYS A 17 -0.384 8.292 -3.811 1.00 65.21 N ATOM 254 CA LYS A 17 0.727 9.090 -4.312 1.00 20.11 C ATOM 255 C LYS A 17 0.739 10.490 -3.724 1.00 23.23 C ATOM 256 O LYS A 17 -0.174 10.892 -2.996 1.00 21.43 O ATOM 257 CB LYS A 17 0.683 9.189 -5.832 1.00 14.43 C ATOM 258 CG LYS A 17 0.929 7.886 -6.556 1.00 3.32 C ATOM 259 CD LYS A 17 0.866 8.093 -8.056 1.00 51.24 C ATOM 260 CE LYS A 17 1.043 6.793 -8.807 1.00 11.52 C ATOM 261 NZ LYS A 17 0.902 6.988 -10.267 1.00 25.14 N ATOM 0 H LYS A 17 -1.119 8.121 -4.498 1.00 65.21 H new ATOM 0 HA LYS A 17 1.639 8.579 -4.002 1.00 20.11 H new ATOM 0 HB2 LYS A 17 -0.292 9.576 -6.129 1.00 14.43 H new ATOM 0 HB3 LYS A 17 1.427 9.916 -6.157 1.00 14.43 H new ATOM 0 HG2 LYS A 17 1.905 7.487 -6.278 1.00 3.32 H new ATOM 0 HG3 LYS A 17 0.186 7.149 -6.253 1.00 3.32 H new ATOM 0 HD2 LYS A 17 -0.092 8.540 -8.322 1.00 51.24 H new ATOM 0 HD3 LYS A 17 1.641 8.797 -8.359 1.00 51.24 H new ATOM 0 HE2 LYS A 17 2.026 6.376 -8.588 1.00 11.52 H new ATOM 0 HE3 LYS A 17 0.305 6.069 -8.462 1.00 11.52 H new ATOM 0 HZ1 LYS A 17 1.194 6.122 -10.763 1.00 25.14 H new ATOM 0 HZ2 LYS A 17 -0.090 7.200 -10.495 1.00 25.14 H new ATOM 0 HZ3 LYS A 17 1.504 7.780 -10.571 1.00 25.14 H new ATOM 275 N HIS A 18 1.780 11.227 -4.062 1.00 14.42 N ATOM 276 CA HIS A 18 1.946 12.589 -3.614 1.00 73.01 C ATOM 277 C HIS A 18 2.446 13.469 -4.749 1.00 30.15 C ATOM 278 O HIS A 18 3.066 12.974 -5.688 1.00 20.33 O ATOM 279 CB HIS A 18 2.879 12.678 -2.392 1.00 4.32 C ATOM 280 CG HIS A 18 4.088 11.787 -2.438 1.00 63.33 C ATOM 281 ND1 HIS A 18 5.090 11.903 -3.375 1.00 30.43 N ATOM 282 CD2 HIS A 18 4.449 10.759 -1.638 1.00 1.10 C ATOM 283 CE1 HIS A 18 6.008 10.987 -3.147 1.00 22.45 C ATOM 284 NE2 HIS A 18 5.645 10.281 -2.099 1.00 64.22 N ATOM 0 H HIS A 18 2.536 10.892 -4.659 1.00 14.42 H new ATOM 0 HA HIS A 18 0.969 12.955 -3.300 1.00 73.01 H new ATOM 0 HB2 HIS A 18 3.213 13.710 -2.286 1.00 4.32 H new ATOM 0 HB3 HIS A 18 2.304 12.436 -1.498 1.00 4.32 H new ATOM 0 HD1 HIS A 18 5.117 12.591 -4.128 1.00 30.43 H new ATOM 0 HD2 HIS A 18 3.895 10.384 -0.790 1.00 1.10 H new ATOM 0 HE1 HIS A 18 6.909 10.840 -3.724 1.00 22.45 H new ATOM 293 N SER A 19 2.166 14.768 -4.642 1.00 43.31 N ATOM 294 CA SER A 19 2.515 15.767 -5.659 1.00 51.14 C ATOM 295 C SER A 19 3.937 15.604 -6.194 1.00 31.12 C ATOM 296 O SER A 19 4.145 15.553 -7.410 1.00 45.00 O ATOM 297 CB SER A 19 2.333 17.163 -5.080 1.00 20.35 C ATOM 298 OG SER A 19 1.017 17.324 -4.584 1.00 44.42 O ATOM 0 H SER A 19 1.683 15.164 -3.836 1.00 43.31 H new ATOM 0 HA SER A 19 1.844 15.615 -6.505 1.00 51.14 H new ATOM 0 HB2 SER A 19 3.053 17.328 -4.279 1.00 20.35 H new ATOM 0 HB3 SER A 19 2.533 17.911 -5.847 1.00 20.35 H new ATOM 0 HG SER A 19 0.376 16.979 -5.240 1.00 44.42 H new ATOM 304 N GLN A 20 4.905 15.528 -5.298 1.00 60.14 N ATOM 305 CA GLN A 20 6.287 15.364 -5.705 1.00 3.24 C ATOM 306 C GLN A 20 6.564 13.909 -6.055 1.00 33.50 C ATOM 307 O GLN A 20 6.874 13.101 -5.182 1.00 44.52 O ATOM 308 CB GLN A 20 7.238 15.837 -4.601 1.00 50.31 C ATOM 309 CG GLN A 20 7.031 17.286 -4.183 1.00 1.31 C ATOM 310 CD GLN A 20 7.182 18.254 -5.339 1.00 21.34 C ATOM 311 OE1 GLN A 20 6.213 18.582 -6.024 1.00 23.44 O ATOM 312 NE2 GLN A 20 8.393 18.707 -5.571 1.00 42.31 N ATOM 0 H GLN A 20 4.760 15.577 -4.290 1.00 60.14 H new ATOM 0 HA GLN A 20 6.459 15.977 -6.590 1.00 3.24 H new ATOM 0 HB2 GLN A 20 7.112 15.196 -3.728 1.00 50.31 H new ATOM 0 HB3 GLN A 20 8.265 15.712 -4.943 1.00 50.31 H new ATOM 0 HG2 GLN A 20 6.037 17.397 -3.749 1.00 1.31 H new ATOM 0 HG3 GLN A 20 7.749 17.542 -3.404 1.00 1.31 H new ATOM 0 HE21 GLN A 20 9.170 18.411 -4.980 1.00 42.31 H new ATOM 0 HE22 GLN A 20 8.556 19.355 -6.342 1.00 42.31 H new ATOM 321 N SER A 21 6.408 13.571 -7.322 1.00 23.45 N ATOM 322 CA SER A 21 6.646 12.218 -7.786 1.00 22.20 C ATOM 323 C SER A 21 6.902 12.209 -9.293 1.00 61.10 C ATOM 324 O SER A 21 6.767 13.241 -9.961 1.00 73.14 O ATOM 325 CB SER A 21 5.448 11.316 -7.440 1.00 0.44 C ATOM 326 OG SER A 21 5.721 9.953 -7.740 1.00 32.24 O ATOM 0 H SER A 21 6.115 14.221 -8.052 1.00 23.45 H new ATOM 0 HA SER A 21 7.531 11.829 -7.283 1.00 22.20 H new ATOM 0 HB2 SER A 21 5.209 11.416 -6.381 1.00 0.44 H new ATOM 0 HB3 SER A 21 4.571 11.644 -7.997 1.00 0.44 H new ATOM 0 HG SER A 21 4.943 9.405 -7.508 1.00 32.24 H new ATOM 332 N ARG A 22 7.265 11.039 -9.816 1.00 21.21 N ATOM 333 CA ARG A 22 7.547 10.863 -11.238 1.00 63.20 C ATOM 334 C ARG A 22 6.303 11.113 -12.091 1.00 41.31 C ATOM 335 O ARG A 22 6.402 11.563 -13.232 1.00 32.11 O ATOM 336 CB ARG A 22 8.115 9.460 -11.500 1.00 21.40 C ATOM 337 CG ARG A 22 7.308 8.329 -10.873 1.00 50.00 C ATOM 338 CD ARG A 22 7.990 6.983 -11.076 1.00 73.54 C ATOM 339 NE ARG A 22 7.362 5.921 -10.282 1.00 4.05 N ATOM 340 CZ ARG A 22 7.378 4.620 -10.598 1.00 40.55 C ATOM 341 NH1 ARG A 22 7.951 4.205 -11.725 1.00 55.35 N ATOM 342 NH2 ARG A 22 6.814 3.735 -9.786 1.00 53.33 N ATOM 0 H ARG A 22 7.372 10.187 -9.265 1.00 21.21 H new ATOM 0 HA ARG A 22 8.295 11.602 -11.526 1.00 63.20 H new ATOM 0 HB2 ARG A 22 8.170 9.298 -12.577 1.00 21.40 H new ATOM 0 HB3 ARG A 22 9.135 9.417 -11.119 1.00 21.40 H new ATOM 0 HG2 ARG A 22 7.181 8.518 -9.807 1.00 50.00 H new ATOM 0 HG3 ARG A 22 6.311 8.304 -11.313 1.00 50.00 H new ATOM 0 HD2 ARG A 22 7.955 6.715 -12.132 1.00 73.54 H new ATOM 0 HD3 ARG A 22 9.042 7.065 -10.803 1.00 73.54 H new ATOM 0 HE ARG A 22 6.878 6.194 -9.427 1.00 4.05 H new ATOM 0 HH11 ARG A 22 8.383 4.880 -12.356 1.00 55.35 H new ATOM 0 HH12 ARG A 22 7.959 3.212 -11.958 1.00 55.35 H new ATOM 0 HH21 ARG A 22 6.369 4.046 -8.923 1.00 53.33 H new ATOM 0 HH22 ARG A 22 6.825 2.744 -10.025 1.00 53.33 H new ATOM 356 N ARG A 23 5.140 10.824 -11.535 1.00 35.13 N ATOM 357 CA ARG A 23 3.892 11.062 -12.230 1.00 11.31 C ATOM 358 C ARG A 23 2.778 11.395 -11.249 1.00 41.33 C ATOM 359 O ARG A 23 2.189 10.505 -10.632 1.00 5.35 O ATOM 360 CB ARG A 23 3.497 9.867 -13.112 1.00 2.55 C ATOM 361 CG ARG A 23 2.120 10.017 -13.754 1.00 74.52 C ATOM 362 CD ARG A 23 1.831 8.912 -14.758 1.00 70.44 C ATOM 363 NE ARG A 23 2.050 7.573 -14.205 1.00 33.42 N ATOM 364 CZ ARG A 23 1.080 6.760 -13.769 1.00 53.03 C ATOM 365 NH1 ARG A 23 -0.177 7.191 -13.684 1.00 13.33 N ATOM 366 NH2 ARG A 23 1.378 5.526 -13.387 1.00 12.03 N ATOM 0 H ARG A 23 5.036 10.424 -10.603 1.00 35.13 H new ATOM 0 HA ARG A 23 4.043 11.921 -12.884 1.00 11.31 H new ATOM 0 HB2 ARG A 23 4.244 9.741 -13.896 1.00 2.55 H new ATOM 0 HB3 ARG A 23 3.512 8.959 -12.509 1.00 2.55 H new ATOM 0 HG2 ARG A 23 1.356 10.008 -12.977 1.00 74.52 H new ATOM 0 HG3 ARG A 23 2.057 10.984 -14.253 1.00 74.52 H new ATOM 0 HD2 ARG A 23 0.798 8.996 -15.097 1.00 70.44 H new ATOM 0 HD3 ARG A 23 2.466 9.047 -15.634 1.00 70.44 H new ATOM 0 HE ARG A 23 3.011 7.236 -14.148 1.00 33.42 H new ATOM 0 HH11 ARG A 23 -0.407 8.148 -13.952 1.00 13.33 H new ATOM 0 HH12 ARG A 23 -0.910 6.564 -13.351 1.00 13.33 H new ATOM 0 HH21 ARG A 23 2.343 5.199 -13.426 1.00 12.03 H new ATOM 0 HH22 ARG A 23 0.642 4.903 -13.054 1.00 12.03 H new ATOM 380 N PRO A 24 2.489 12.693 -11.084 1.00 71.12 N ATOM 381 CA PRO A 24 1.422 13.169 -10.208 1.00 74.13 C ATOM 382 C PRO A 24 0.073 13.187 -10.933 1.00 44.33 C ATOM 383 O PRO A 24 -0.735 14.108 -10.767 1.00 72.31 O ATOM 384 CB PRO A 24 1.873 14.588 -9.884 1.00 50.34 C ATOM 385 CG PRO A 24 2.589 15.043 -11.112 1.00 15.53 C ATOM 386 CD PRO A 24 3.200 13.812 -11.737 1.00 30.15 C ATOM 0 HA PRO A 24 1.273 12.540 -9.330 1.00 74.13 H new ATOM 0 HB2 PRO A 24 1.023 15.233 -9.658 1.00 50.34 H new ATOM 0 HB3 PRO A 24 2.528 14.607 -9.013 1.00 50.34 H new ATOM 0 HG2 PRO A 24 1.901 15.528 -11.804 1.00 15.53 H new ATOM 0 HG3 PRO A 24 3.359 15.774 -10.863 1.00 15.53 H new ATOM 0 HD2 PRO A 24 3.058 13.800 -12.818 1.00 30.15 H new ATOM 0 HD3 PRO A 24 4.274 13.763 -11.556 1.00 30.15 H new ATOM 394 N SER A 25 -0.161 12.161 -11.729 1.00 52.15 N ATOM 395 CA SER A 25 -1.385 12.033 -12.492 1.00 40.54 C ATOM 396 C SER A 25 -1.800 10.569 -12.575 1.00 65.22 C ATOM 397 O SER A 25 -1.167 9.773 -13.278 1.00 21.42 O ATOM 398 CB SER A 25 -1.190 12.595 -13.900 1.00 41.23 C ATOM 399 OG SER A 25 -0.699 13.927 -13.856 1.00 41.02 O ATOM 0 H SER A 25 0.495 11.392 -11.864 1.00 52.15 H new ATOM 0 HA SER A 25 -2.170 12.598 -11.989 1.00 40.54 H new ATOM 0 HB2 SER A 25 -0.493 11.965 -14.453 1.00 41.23 H new ATOM 0 HB3 SER A 25 -2.137 12.571 -14.439 1.00 41.23 H new ATOM 0 HG SER A 25 -1.407 14.526 -13.540 1.00 41.02 H new ATOM 405 N SER A 26 -2.839 10.220 -11.853 1.00 63.32 N ATOM 406 CA SER A 26 -3.343 8.863 -11.844 1.00 75.13 C ATOM 407 C SER A 26 -4.856 8.870 -12.028 1.00 10.24 C ATOM 408 O SER A 26 -5.460 9.939 -12.137 1.00 3.32 O ATOM 409 CB SER A 26 -2.947 8.162 -10.542 1.00 42.15 C ATOM 410 OG SER A 26 -1.528 8.078 -10.424 1.00 63.44 O ATOM 0 H SER A 26 -3.358 10.864 -11.257 1.00 63.32 H new ATOM 0 HA SER A 26 -2.901 8.309 -12.672 1.00 75.13 H new ATOM 0 HB2 SER A 26 -3.356 8.707 -9.691 1.00 42.15 H new ATOM 0 HB3 SER A 26 -3.379 7.161 -10.516 1.00 42.15 H new ATOM 0 HG SER A 26 -1.159 8.972 -10.267 1.00 63.44 H new ATOM 415 N TRP A 27 -5.470 7.691 -12.052 1.00 72.42 N ATOM 416 CA TRP A 27 -6.913 7.583 -12.278 1.00 11.22 C ATOM 417 C TRP A 27 -7.720 8.158 -11.106 1.00 64.33 C ATOM 418 O TRP A 27 -8.912 8.419 -11.235 1.00 34.03 O ATOM 419 CB TRP A 27 -7.317 6.122 -12.544 1.00 31.22 C ATOM 420 CG TRP A 27 -7.305 5.243 -11.324 1.00 54.10 C ATOM 421 CD1 TRP A 27 -6.213 4.772 -10.655 1.00 13.01 C ATOM 422 CD2 TRP A 27 -8.450 4.723 -10.638 1.00 72.41 C ATOM 423 NE1 TRP A 27 -6.611 4.000 -9.594 1.00 55.30 N ATOM 424 CE2 TRP A 27 -7.977 3.953 -9.562 1.00 12.43 C ATOM 425 CE3 TRP A 27 -9.831 4.838 -10.828 1.00 4.53 C ATOM 426 CZ2 TRP A 27 -8.832 3.299 -8.679 1.00 23.43 C ATOM 427 CZ3 TRP A 27 -10.679 4.190 -9.951 1.00 60.13 C ATOM 428 CH2 TRP A 27 -10.177 3.430 -8.889 1.00 70.42 C ATOM 0 H TRP A 27 -4.995 6.798 -11.919 1.00 72.42 H new ATOM 0 HA TRP A 27 -7.147 8.177 -13.162 1.00 11.22 H new ATOM 0 HB2 TRP A 27 -8.317 6.107 -12.978 1.00 31.22 H new ATOM 0 HB3 TRP A 27 -6.641 5.700 -13.288 1.00 31.22 H new ATOM 0 HD1 TRP A 27 -5.187 4.977 -10.922 1.00 13.01 H new ATOM 0 HE1 TRP A 27 -5.988 3.535 -8.934 1.00 55.30 H new ATOM 0 HE3 TRP A 27 -10.227 5.423 -11.645 1.00 4.53 H new ATOM 0 HZ2 TRP A 27 -8.448 2.710 -7.859 1.00 23.43 H new ATOM 0 HZ3 TRP A 27 -11.747 4.271 -10.087 1.00 60.13 H new ATOM 0 HH2 TRP A 27 -10.867 2.936 -8.221 1.00 70.42 H new ATOM 439 N ARG A 28 -7.065 8.348 -9.968 1.00 12.15 N ATOM 440 CA ARG A 28 -7.731 8.896 -8.796 1.00 32.32 C ATOM 441 C ARG A 28 -7.633 10.407 -8.744 1.00 32.53 C ATOM 442 O ARG A 28 -8.397 11.057 -8.026 1.00 53.10 O ATOM 443 CB ARG A 28 -7.165 8.296 -7.510 1.00 0.24 C ATOM 444 CG ARG A 28 -7.638 6.884 -7.227 1.00 15.14 C ATOM 445 CD ARG A 28 -9.158 6.818 -7.135 1.00 34.23 C ATOM 446 NE ARG A 28 -9.701 7.759 -6.146 1.00 32.34 N ATOM 447 CZ ARG A 28 -10.913 7.657 -5.589 1.00 64.44 C ATOM 448 NH1 ARG A 28 -11.695 6.625 -5.874 1.00 13.12 N ATOM 449 NH2 ARG A 28 -11.331 8.584 -4.734 1.00 3.10 N ATOM 0 H ARG A 28 -6.077 8.132 -9.833 1.00 12.15 H new ATOM 0 HA ARG A 28 -8.784 8.627 -8.879 1.00 32.32 H new ATOM 0 HB2 ARG A 28 -6.077 8.298 -7.569 1.00 0.24 H new ATOM 0 HB3 ARG A 28 -7.440 8.935 -6.671 1.00 0.24 H new ATOM 0 HG2 ARG A 28 -7.290 6.217 -8.015 1.00 15.14 H new ATOM 0 HG3 ARG A 28 -7.199 6.531 -6.294 1.00 15.14 H new ATOM 0 HD2 ARG A 28 -9.588 7.035 -8.113 1.00 34.23 H new ATOM 0 HD3 ARG A 28 -9.460 5.804 -6.872 1.00 34.23 H new ATOM 0 HE ARG A 28 -9.114 8.544 -5.865 1.00 32.34 H new ATOM 0 HH11 ARG A 28 -11.373 5.905 -6.520 1.00 13.12 H new ATOM 0 HH12 ARG A 28 -12.618 6.551 -5.447 1.00 13.12 H new ATOM 0 HH21 ARG A 28 -10.728 9.373 -4.502 1.00 3.10 H new ATOM 0 HH22 ARG A 28 -12.255 8.506 -4.309 1.00 3.10 H new ATOM 463 N GLN A 29 -6.707 10.973 -9.500 1.00 55.32 N ATOM 464 CA GLN A 29 -6.520 12.410 -9.501 1.00 53.40 C ATOM 465 C GLN A 29 -5.642 12.840 -10.668 1.00 72.30 C ATOM 466 O GLN A 29 -4.484 12.420 -10.778 1.00 51.24 O ATOM 467 CB GLN A 29 -5.917 12.870 -8.169 1.00 71.02 C ATOM 468 CG GLN A 29 -5.981 14.369 -7.951 1.00 12.12 C ATOM 469 CD GLN A 29 -5.558 14.779 -6.554 1.00 43.44 C ATOM 470 OE1 GLN A 29 -4.731 14.128 -5.922 1.00 64.12 O ATOM 471 NE2 GLN A 29 -6.119 15.863 -6.066 1.00 54.20 N ATOM 0 H GLN A 29 -6.077 10.461 -10.117 1.00 55.32 H new ATOM 0 HA GLN A 29 -7.494 12.884 -9.620 1.00 53.40 H new ATOM 0 HB2 GLN A 29 -6.440 12.371 -7.353 1.00 71.02 H new ATOM 0 HB3 GLN A 29 -4.876 12.550 -8.123 1.00 71.02 H new ATOM 0 HG2 GLN A 29 -5.340 14.865 -8.680 1.00 12.12 H new ATOM 0 HG3 GLN A 29 -6.998 14.715 -8.134 1.00 12.12 H new ATOM 0 HE21 GLN A 29 -6.802 16.378 -6.621 1.00 54.20 H new ATOM 0 HE22 GLN A 29 -5.871 16.189 -5.132 1.00 54.20 H new ATOM 480 N GLU A 30 -6.209 13.661 -11.544 1.00 71.40 N ATOM 481 CA GLU A 30 -5.497 14.166 -12.714 1.00 40.14 C ATOM 482 C GLU A 30 -4.359 15.098 -12.302 1.00 71.14 C ATOM 483 O GLU A 30 -3.283 15.092 -12.906 1.00 32.04 O ATOM 484 CB GLU A 30 -6.471 14.877 -13.662 1.00 32.23 C ATOM 485 CG GLU A 30 -7.344 15.923 -12.983 1.00 42.32 C ATOM 486 CD GLU A 30 -8.339 16.554 -13.925 1.00 61.41 C ATOM 487 OE1 GLU A 30 -9.348 15.900 -14.254 1.00 42.33 O ATOM 488 OE2 GLU A 30 -8.126 17.712 -14.334 1.00 64.41 O ATOM 0 H GLU A 30 -7.170 13.994 -11.465 1.00 71.40 H new ATOM 0 HA GLU A 30 -5.057 13.319 -13.241 1.00 40.14 H new ATOM 0 HB2 GLU A 30 -5.902 15.356 -14.459 1.00 32.23 H new ATOM 0 HB3 GLU A 30 -7.113 14.132 -14.132 1.00 32.23 H new ATOM 0 HG2 GLU A 30 -7.879 15.460 -12.153 1.00 42.32 H new ATOM 0 HG3 GLU A 30 -6.708 16.700 -12.559 1.00 42.32 H new ATOM 495 N LYS A 31 -4.604 15.899 -11.283 1.00 42.14 N ATOM 496 CA LYS A 31 -3.595 16.785 -10.745 1.00 41.41 C ATOM 497 C LYS A 31 -3.443 16.522 -9.263 1.00 41.14 C ATOM 498 O LYS A 31 -4.178 17.080 -8.446 1.00 73.24 O ATOM 499 CB LYS A 31 -3.958 18.255 -10.989 1.00 54.24 C ATOM 500 CG LYS A 31 -4.088 18.631 -12.461 1.00 61.41 C ATOM 501 CD LYS A 31 -4.266 20.135 -12.643 1.00 54.45 C ATOM 502 CE LYS A 31 -5.553 20.639 -12.002 1.00 21.22 C ATOM 503 NZ LYS A 31 -6.765 20.099 -12.674 1.00 12.12 N ATOM 0 H LYS A 31 -5.505 15.953 -10.808 1.00 42.14 H new ATOM 0 HA LYS A 31 -2.651 16.590 -11.253 1.00 41.41 H new ATOM 0 HB2 LYS A 31 -4.900 18.473 -10.485 1.00 54.24 H new ATOM 0 HB3 LYS A 31 -3.197 18.886 -10.530 1.00 54.24 H new ATOM 0 HG2 LYS A 31 -3.201 18.301 -13.001 1.00 61.41 H new ATOM 0 HG3 LYS A 31 -4.939 18.108 -12.897 1.00 61.41 H new ATOM 0 HD2 LYS A 31 -3.415 20.656 -12.205 1.00 54.45 H new ATOM 0 HD3 LYS A 31 -4.273 20.373 -13.707 1.00 54.45 H new ATOM 0 HE2 LYS A 31 -5.567 20.357 -10.949 1.00 21.22 H new ATOM 0 HE3 LYS A 31 -5.573 21.728 -12.040 1.00 21.22 H new ATOM 0 HZ1 LYS A 31 -7.611 20.571 -12.295 1.00 12.12 H new ATOM 0 HZ2 LYS A 31 -6.701 20.272 -13.697 1.00 12.12 H new ATOM 0 HZ3 LYS A 31 -6.832 19.076 -12.500 1.00 12.12 H new ATOM 517 N ILE A 32 -2.518 15.641 -8.920 1.00 51.41 N ATOM 518 CA ILE A 32 -2.299 15.261 -7.536 1.00 0.24 C ATOM 519 C ILE A 32 -1.750 16.425 -6.711 1.00 32.54 C ATOM 520 O ILE A 32 -0.554 16.726 -6.743 1.00 45.41 O ATOM 521 CB ILE A 32 -1.373 14.017 -7.422 1.00 23.22 C ATOM 522 CG1 ILE A 32 -2.053 12.800 -8.067 1.00 44.10 C ATOM 523 CG2 ILE A 32 -1.033 13.724 -5.968 1.00 42.12 C ATOM 524 CD1 ILE A 32 -1.232 11.529 -8.012 1.00 70.43 C ATOM 0 H ILE A 32 -1.904 15.173 -9.586 1.00 51.41 H new ATOM 0 HA ILE A 32 -3.271 14.991 -7.124 1.00 0.24 H new ATOM 0 HB ILE A 32 -0.443 14.228 -7.950 1.00 23.22 H new ATOM 0 HG12 ILE A 32 -3.007 12.625 -7.570 1.00 44.10 H new ATOM 0 HG13 ILE A 32 -2.275 13.031 -9.109 1.00 44.10 H new ATOM 0 HG21 ILE A 32 -0.384 12.850 -5.915 1.00 42.12 H new ATOM 0 HG22 ILE A 32 -0.521 14.583 -5.534 1.00 42.12 H new ATOM 0 HG23 ILE A 32 -1.950 13.530 -5.412 1.00 42.12 H new ATOM 0 HD11 ILE A 32 -1.784 10.719 -8.489 1.00 70.43 H new ATOM 0 HD12 ILE A 32 -0.288 11.682 -8.535 1.00 70.43 H new ATOM 0 HD13 ILE A 32 -1.032 11.270 -6.972 1.00 70.43 H new ATOM 536 N THR A 33 -2.644 17.092 -5.996 1.00 33.31 N ATOM 537 CA THR A 33 -2.282 18.210 -5.144 1.00 63.04 C ATOM 538 C THR A 33 -1.983 17.742 -3.729 1.00 72.22 C ATOM 539 O THR A 33 -1.528 18.511 -2.889 1.00 24.35 O ATOM 540 CB THR A 33 -3.403 19.259 -5.115 1.00 14.40 C ATOM 541 OG1 THR A 33 -4.677 18.603 -4.970 1.00 42.04 O ATOM 542 CG2 THR A 33 -3.393 20.086 -6.388 1.00 63.44 C ATOM 0 H THR A 33 -3.640 16.872 -5.992 1.00 33.31 H new ATOM 0 HA THR A 33 -1.383 18.664 -5.561 1.00 63.04 H new ATOM 0 HB THR A 33 -3.237 19.924 -4.267 1.00 14.40 H new ATOM 0 HG1 THR A 33 -5.390 19.275 -4.950 1.00 42.04 H new ATOM 0 HG21 THR A 33 -4.194 20.824 -6.349 1.00 63.44 H new ATOM 0 HG22 THR A 33 -2.434 20.596 -6.483 1.00 63.44 H new ATOM 0 HG23 THR A 33 -3.543 19.433 -7.248 1.00 63.44 H new ATOM 550 N ARG A 34 -2.246 16.475 -3.476 1.00 41.34 N ATOM 551 CA ARG A 34 -1.973 15.885 -2.184 1.00 43.51 C ATOM 552 C ARG A 34 -0.505 15.498 -2.083 1.00 41.52 C ATOM 553 O ARG A 34 -0.054 14.573 -2.748 1.00 23.22 O ATOM 554 CB ARG A 34 -2.879 14.658 -1.940 1.00 12.02 C ATOM 555 CG ARG A 34 -3.025 13.743 -3.149 1.00 22.42 C ATOM 556 CD ARG A 34 -3.842 12.500 -2.831 1.00 53.15 C ATOM 557 NE ARG A 34 -4.404 11.893 -4.047 1.00 74.15 N ATOM 558 CZ ARG A 34 -4.023 10.722 -4.577 1.00 64.13 C ATOM 559 NH1 ARG A 34 -3.013 10.043 -4.062 1.00 32.44 N ATOM 560 NH2 ARG A 34 -4.646 10.247 -5.650 1.00 31.51 N ATOM 0 H ARG A 34 -2.652 15.831 -4.155 1.00 41.34 H new ATOM 0 HA ARG A 34 -2.191 16.624 -1.413 1.00 43.51 H new ATOM 0 HB2 ARG A 34 -2.475 14.081 -1.108 1.00 12.02 H new ATOM 0 HB3 ARG A 34 -3.868 15.004 -1.638 1.00 12.02 H new ATOM 0 HG2 ARG A 34 -3.501 14.291 -3.962 1.00 22.42 H new ATOM 0 HG3 ARG A 34 -2.037 13.447 -3.500 1.00 22.42 H new ATOM 0 HD2 ARG A 34 -3.213 11.772 -2.318 1.00 53.15 H new ATOM 0 HD3 ARG A 34 -4.650 12.761 -2.147 1.00 53.15 H new ATOM 0 HE ARG A 34 -5.144 12.405 -4.527 1.00 74.15 H new ATOM 0 HH11 ARG A 34 -2.513 10.409 -3.252 1.00 32.44 H new ATOM 0 HH12 ARG A 34 -2.733 9.153 -4.475 1.00 32.44 H new ATOM 0 HH21 ARG A 34 -5.413 10.773 -6.069 1.00 31.51 H new ATOM 0 HH22 ARG A 34 -4.358 9.356 -6.055 1.00 31.51 H new ATOM 574 N THR A 35 0.244 16.230 -1.285 1.00 2.11 N ATOM 575 CA THR A 35 1.646 15.931 -1.097 1.00 31.03 C ATOM 576 C THR A 35 1.801 14.860 -0.011 1.00 60.03 C ATOM 577 O THR A 35 0.808 14.283 0.432 1.00 14.24 O ATOM 578 CB THR A 35 2.463 17.207 -0.728 1.00 34.20 C ATOM 579 OG1 THR A 35 3.868 16.938 -0.815 1.00 61.42 O ATOM 580 CG2 THR A 35 2.133 17.687 0.677 1.00 24.31 C ATOM 0 H THR A 35 -0.095 17.035 -0.758 1.00 2.11 H new ATOM 0 HA THR A 35 2.044 15.554 -2.039 1.00 31.03 H new ATOM 0 HB THR A 35 2.192 17.989 -1.437 1.00 34.20 H new ATOM 0 HG1 THR A 35 4.262 16.963 0.082 1.00 61.42 H new ATOM 0 HG21 THR A 35 2.719 18.578 0.904 1.00 24.31 H new ATOM 0 HG22 THR A 35 1.071 17.925 0.740 1.00 24.31 H new ATOM 0 HG23 THR A 35 2.372 16.903 1.395 1.00 24.31 H new ATOM 588 N LYS A 36 3.038 14.594 0.396 1.00 31.12 N ATOM 589 CA LYS A 36 3.336 13.596 1.429 1.00 41.32 C ATOM 590 C LYS A 36 2.448 13.788 2.663 1.00 44.11 C ATOM 591 O LYS A 36 1.931 12.825 3.227 1.00 64.35 O ATOM 592 CB LYS A 36 4.808 13.693 1.829 1.00 44.41 C ATOM 593 CG LYS A 36 5.198 12.800 2.993 1.00 21.14 C ATOM 594 CD LYS A 36 6.615 13.083 3.443 1.00 2.35 C ATOM 595 CE LYS A 36 6.960 12.310 4.699 1.00 43.14 C ATOM 596 NZ LYS A 36 8.315 12.643 5.191 1.00 75.34 N ATOM 0 H LYS A 36 3.864 15.061 0.022 1.00 31.12 H new ATOM 0 HA LYS A 36 3.131 12.608 1.017 1.00 41.32 H new ATOM 0 HB2 LYS A 36 5.424 13.437 0.967 1.00 44.41 H new ATOM 0 HB3 LYS A 36 5.035 14.727 2.087 1.00 44.41 H new ATOM 0 HG2 LYS A 36 4.510 12.958 3.824 1.00 21.14 H new ATOM 0 HG3 LYS A 36 5.108 11.754 2.700 1.00 21.14 H new ATOM 0 HD2 LYS A 36 7.311 12.817 2.647 1.00 2.35 H new ATOM 0 HD3 LYS A 36 6.734 14.151 3.627 1.00 2.35 H new ATOM 0 HE2 LYS A 36 6.227 12.530 5.475 1.00 43.14 H new ATOM 0 HE3 LYS A 36 6.899 11.241 4.497 1.00 43.14 H new ATOM 0 HZ1 LYS A 36 8.516 12.095 6.052 1.00 75.34 H new ATOM 0 HZ2 LYS A 36 9.017 12.410 4.460 1.00 75.34 H new ATOM 0 HZ3 LYS A 36 8.366 13.659 5.408 1.00 75.34 H new ATOM 610 N GLU A 37 2.276 15.037 3.058 1.00 41.02 N ATOM 611 CA GLU A 37 1.461 15.387 4.210 1.00 0.04 C ATOM 612 C GLU A 37 0.009 14.951 4.021 1.00 34.12 C ATOM 613 O GLU A 37 -0.524 14.194 4.835 1.00 62.05 O ATOM 614 CB GLU A 37 1.549 16.881 4.458 1.00 62.22 C ATOM 615 CG GLU A 37 2.950 17.339 4.802 1.00 44.11 C ATOM 616 CD GLU A 37 3.145 18.816 4.614 1.00 62.11 C ATOM 617 OE1 GLU A 37 2.701 19.596 5.480 1.00 30.20 O ATOM 618 OE2 GLU A 37 3.757 19.209 3.603 1.00 35.34 O ATOM 0 H GLU A 37 2.698 15.839 2.589 1.00 41.02 H new ATOM 0 HA GLU A 37 1.845 14.856 5.081 1.00 0.04 H new ATOM 0 HB2 GLU A 37 1.206 17.412 3.570 1.00 62.22 H new ATOM 0 HB3 GLU A 37 0.874 17.150 5.271 1.00 62.22 H new ATOM 0 HG2 GLU A 37 3.168 17.078 5.838 1.00 44.11 H new ATOM 0 HG3 GLU A 37 3.666 16.801 4.180 1.00 44.11 H new ATOM 625 N GLU A 38 -0.624 15.422 2.947 1.00 1.30 N ATOM 626 CA GLU A 38 -2.006 15.045 2.651 1.00 31.45 C ATOM 627 C GLU A 38 -2.126 13.539 2.485 1.00 32.44 C ATOM 628 O GLU A 38 -3.049 12.924 3.009 1.00 54.14 O ATOM 629 CB GLU A 38 -2.530 15.735 1.382 1.00 50.52 C ATOM 630 CG GLU A 38 -2.666 17.247 1.475 1.00 75.04 C ATOM 631 CD GLU A 38 -1.352 17.965 1.324 1.00 44.25 C ATOM 632 OE1 GLU A 38 -0.957 18.247 0.173 1.00 40.42 O ATOM 633 OE2 GLU A 38 -0.707 18.250 2.349 1.00 62.04 O ATOM 0 H GLU A 38 -0.205 16.061 2.271 1.00 1.30 H new ATOM 0 HA GLU A 38 -2.611 15.373 3.496 1.00 31.45 H new ATOM 0 HB2 GLU A 38 -1.860 15.497 0.556 1.00 50.52 H new ATOM 0 HB3 GLU A 38 -3.504 15.313 1.135 1.00 50.52 H new ATOM 0 HG2 GLU A 38 -3.354 17.593 0.703 1.00 75.04 H new ATOM 0 HG3 GLU A 38 -3.108 17.508 2.436 1.00 75.04 H new ATOM 640 N ALA A 39 -1.176 12.953 1.764 1.00 12.52 N ATOM 641 CA ALA A 39 -1.166 11.517 1.519 1.00 5.24 C ATOM 642 C ALA A 39 -1.200 10.746 2.829 1.00 40.43 C ATOM 643 O ALA A 39 -1.982 9.812 2.984 1.00 5.21 O ATOM 644 CB ALA A 39 0.056 11.124 0.699 1.00 63.31 C ATOM 0 H ALA A 39 -0.398 13.456 1.337 1.00 12.52 H new ATOM 0 HA ALA A 39 -2.060 11.262 0.950 1.00 5.24 H new ATOM 0 HB1 ALA A 39 0.047 10.048 0.526 1.00 63.31 H new ATOM 0 HB2 ALA A 39 0.035 11.646 -0.258 1.00 63.31 H new ATOM 0 HB3 ALA A 39 0.961 11.397 1.242 1.00 63.31 H new ATOM 650 N LEU A 40 -0.363 11.161 3.774 1.00 40.02 N ATOM 651 CA LEU A 40 -0.296 10.524 5.083 1.00 61.43 C ATOM 652 C LEU A 40 -1.636 10.626 5.807 1.00 54.53 C ATOM 653 O LEU A 40 -2.071 9.678 6.464 1.00 64.11 O ATOM 654 CB LEU A 40 0.813 11.158 5.928 1.00 44.50 C ATOM 655 CG LEU A 40 0.990 10.589 7.339 1.00 71.32 C ATOM 656 CD1 LEU A 40 1.316 9.104 7.287 1.00 63.01 C ATOM 657 CD2 LEU A 40 2.074 11.348 8.084 1.00 51.22 C ATOM 0 H LEU A 40 0.283 11.942 3.655 1.00 40.02 H new ATOM 0 HA LEU A 40 -0.066 9.469 4.936 1.00 61.43 H new ATOM 0 HB2 LEU A 40 1.757 11.050 5.393 1.00 44.50 H new ATOM 0 HB3 LEU A 40 0.614 12.226 6.011 1.00 44.50 H new ATOM 0 HG LEU A 40 0.050 10.710 7.877 1.00 71.32 H new ATOM 0 HD11 LEU A 40 1.437 8.722 8.301 1.00 63.01 H new ATOM 0 HD12 LEU A 40 0.504 8.570 6.793 1.00 63.01 H new ATOM 0 HD13 LEU A 40 2.241 8.954 6.730 1.00 63.01 H new ATOM 0 HD21 LEU A 40 2.187 10.932 9.085 1.00 51.22 H new ATOM 0 HD22 LEU A 40 3.017 11.259 7.545 1.00 51.22 H new ATOM 0 HD23 LEU A 40 1.797 12.400 8.158 1.00 51.22 H new ATOM 669 N GLU A 41 -2.290 11.770 5.670 1.00 10.31 N ATOM 670 CA GLU A 41 -3.584 11.989 6.296 1.00 63.31 C ATOM 671 C GLU A 41 -4.616 11.012 5.743 1.00 72.15 C ATOM 672 O GLU A 41 -5.377 10.403 6.503 1.00 42.11 O ATOM 673 CB GLU A 41 -4.039 13.431 6.093 1.00 51.43 C ATOM 674 CG GLU A 41 -3.085 14.455 6.688 1.00 43.22 C ATOM 675 CD GLU A 41 -2.915 14.292 8.185 1.00 3.12 C ATOM 676 OE1 GLU A 41 -3.719 14.873 8.943 1.00 1.24 O ATOM 677 OE2 GLU A 41 -1.980 13.576 8.615 1.00 14.21 O ATOM 0 H GLU A 41 -1.944 12.563 5.129 1.00 10.31 H new ATOM 0 HA GLU A 41 -3.486 11.811 7.367 1.00 63.31 H new ATOM 0 HB2 GLU A 41 -4.147 13.623 5.026 1.00 51.43 H new ATOM 0 HB3 GLU A 41 -5.024 13.560 6.541 1.00 51.43 H new ATOM 0 HG2 GLU A 41 -2.113 14.365 6.204 1.00 43.22 H new ATOM 0 HG3 GLU A 41 -3.455 15.458 6.475 1.00 43.22 H new ATOM 684 N LEU A 42 -4.638 10.864 4.418 1.00 75.50 N ATOM 685 CA LEU A 42 -5.516 9.902 3.772 1.00 73.42 C ATOM 686 C LEU A 42 -5.183 8.491 4.240 1.00 51.34 C ATOM 687 O LEU A 42 -6.072 7.724 4.600 1.00 72.13 O ATOM 688 CB LEU A 42 -5.397 9.987 2.241 1.00 44.45 C ATOM 689 CG LEU A 42 -6.260 11.052 1.548 1.00 62.11 C ATOM 690 CD1 LEU A 42 -5.838 12.458 1.934 1.00 14.20 C ATOM 691 CD2 LEU A 42 -6.219 10.874 0.038 1.00 11.10 C ATOM 0 H LEU A 42 -4.056 11.401 3.775 1.00 75.50 H new ATOM 0 HA LEU A 42 -6.543 10.141 4.050 1.00 73.42 H new ATOM 0 HB2 LEU A 42 -4.353 10.176 1.989 1.00 44.45 H new ATOM 0 HB3 LEU A 42 -5.655 9.014 1.824 1.00 44.45 H new ATOM 0 HG LEU A 42 -7.286 10.915 1.888 1.00 62.11 H new ATOM 0 HD11 LEU A 42 -6.473 13.182 1.423 1.00 14.20 H new ATOM 0 HD12 LEU A 42 -5.938 12.585 3.012 1.00 14.20 H new ATOM 0 HD13 LEU A 42 -4.799 12.618 1.645 1.00 14.20 H new ATOM 0 HD21 LEU A 42 -6.836 11.638 -0.435 1.00 11.10 H new ATOM 0 HD22 LEU A 42 -5.191 10.970 -0.312 1.00 11.10 H new ATOM 0 HD23 LEU A 42 -6.600 9.887 -0.222 1.00 11.10 H new ATOM 703 N ILE A 43 -3.888 8.169 4.243 1.00 13.02 N ATOM 704 CA ILE A 43 -3.401 6.859 4.685 1.00 75.45 C ATOM 705 C ILE A 43 -3.929 6.519 6.077 1.00 12.21 C ATOM 706 O ILE A 43 -4.554 5.474 6.274 1.00 53.53 O ATOM 707 CB ILE A 43 -1.846 6.813 4.696 1.00 73.14 C ATOM 708 CG1 ILE A 43 -1.289 6.866 3.267 1.00 42.21 C ATOM 709 CG2 ILE A 43 -1.332 5.578 5.426 1.00 51.34 C ATOM 710 CD1 ILE A 43 -1.655 5.668 2.416 1.00 23.42 C ATOM 0 H ILE A 43 -3.150 8.805 3.941 1.00 13.02 H new ATOM 0 HA ILE A 43 -3.771 6.120 3.974 1.00 75.45 H new ATOM 0 HB ILE A 43 -1.494 7.692 5.237 1.00 73.14 H new ATOM 0 HG12 ILE A 43 -1.654 7.770 2.779 1.00 42.21 H new ATOM 0 HG13 ILE A 43 -0.203 6.946 3.315 1.00 42.21 H new ATOM 0 HG21 ILE A 43 -0.242 5.576 5.415 1.00 51.34 H new ATOM 0 HG22 ILE A 43 -1.685 5.592 6.457 1.00 51.34 H new ATOM 0 HG23 ILE A 43 -1.701 4.681 4.928 1.00 51.34 H new ATOM 0 HD11 ILE A 43 -1.223 5.783 1.422 1.00 23.42 H new ATOM 0 HD12 ILE A 43 -1.266 4.761 2.878 1.00 23.42 H new ATOM 0 HD13 ILE A 43 -2.740 5.597 2.335 1.00 23.42 H new ATOM 722 N ASN A 44 -3.693 7.416 7.028 1.00 24.01 N ATOM 723 CA ASN A 44 -4.139 7.219 8.408 1.00 2.23 C ATOM 724 C ASN A 44 -5.652 7.076 8.475 1.00 74.31 C ATOM 725 O ASN A 44 -6.185 6.361 9.327 1.00 61.40 O ATOM 726 CB ASN A 44 -3.679 8.377 9.299 1.00 44.54 C ATOM 727 CG ASN A 44 -2.171 8.416 9.481 1.00 62.11 C ATOM 728 OD1 ASN A 44 -1.498 7.381 9.467 1.00 23.52 O ATOM 729 ND2 ASN A 44 -1.630 9.606 9.656 1.00 52.15 N ATOM 0 H ASN A 44 -3.193 8.291 6.870 1.00 24.01 H new ATOM 0 HA ASN A 44 -3.688 6.297 8.775 1.00 2.23 H new ATOM 0 HB2 ASN A 44 -4.012 9.319 8.864 1.00 44.54 H new ATOM 0 HB3 ASN A 44 -4.156 8.290 10.275 1.00 44.54 H new ATOM 0 HD21 ASN A 44 -0.622 9.694 9.786 1.00 52.15 H new ATOM 0 HD22 ASN A 44 -2.219 10.438 9.661 1.00 52.15 H new ATOM 736 N GLY A 45 -6.340 7.753 7.571 1.00 0.51 N ATOM 737 CA GLY A 45 -7.780 7.664 7.517 1.00 20.44 C ATOM 738 C GLY A 45 -8.238 6.282 7.111 1.00 40.54 C ATOM 739 O GLY A 45 -9.077 5.676 7.785 1.00 73.33 O ATOM 0 H GLY A 45 -5.923 8.366 6.870 1.00 0.51 H new ATOM 0 HA2 GLY A 45 -8.197 7.914 8.492 1.00 20.44 H new ATOM 0 HA3 GLY A 45 -8.164 8.398 6.808 1.00 20.44 H new ATOM 743 N TYR A 46 -7.659 5.768 6.027 1.00 61.12 N ATOM 744 CA TYR A 46 -8.008 4.446 5.512 1.00 45.45 C ATOM 745 C TYR A 46 -7.763 3.367 6.557 1.00 24.43 C ATOM 746 O TYR A 46 -8.593 2.476 6.745 1.00 60.21 O ATOM 747 CB TYR A 46 -7.218 4.129 4.236 1.00 31.41 C ATOM 748 CG TYR A 46 -7.454 5.112 3.110 1.00 40.13 C ATOM 749 CD1 TYR A 46 -8.740 5.502 2.758 1.00 41.54 C ATOM 750 CD2 TYR A 46 -6.390 5.660 2.409 1.00 52.12 C ATOM 751 CE1 TYR A 46 -8.955 6.407 1.740 1.00 34.41 C ATOM 752 CE2 TYR A 46 -6.599 6.568 1.392 1.00 12.43 C ATOM 753 CZ TYR A 46 -7.881 6.938 1.061 1.00 71.23 C ATOM 754 OH TYR A 46 -8.090 7.846 0.049 1.00 75.12 O ATOM 0 H TYR A 46 -6.942 6.251 5.486 1.00 61.12 H new ATOM 0 HA TYR A 46 -9.071 4.459 5.271 1.00 45.45 H new ATOM 0 HB2 TYR A 46 -6.154 4.112 4.474 1.00 31.41 H new ATOM 0 HB3 TYR A 46 -7.484 3.129 3.894 1.00 31.41 H new ATOM 0 HD1 TYR A 46 -9.585 5.090 3.290 1.00 41.54 H new ATOM 0 HD2 TYR A 46 -5.381 5.371 2.664 1.00 52.12 H new ATOM 0 HE1 TYR A 46 -9.961 6.698 1.476 1.00 34.41 H new ATOM 0 HE2 TYR A 46 -5.759 6.987 0.858 1.00 12.43 H new ATOM 0 HH TYR A 46 -8.704 7.464 -0.612 1.00 75.12 H new ATOM 764 N ILE A 47 -6.630 3.462 7.250 1.00 51.40 N ATOM 765 CA ILE A 47 -6.283 2.499 8.293 1.00 32.01 C ATOM 766 C ILE A 47 -7.372 2.461 9.370 1.00 63.45 C ATOM 767 O ILE A 47 -7.765 1.390 9.839 1.00 44.43 O ATOM 768 CB ILE A 47 -4.918 2.837 8.952 1.00 62.32 C ATOM 769 CG1 ILE A 47 -3.816 2.911 7.892 1.00 61.43 C ATOM 770 CG2 ILE A 47 -4.561 1.797 10.010 1.00 70.33 C ATOM 771 CD1 ILE A 47 -2.468 3.333 8.440 1.00 61.34 C ATOM 0 H ILE A 47 -5.936 4.196 7.108 1.00 51.40 H new ATOM 0 HA ILE A 47 -6.203 1.521 7.818 1.00 32.01 H new ATOM 0 HB ILE A 47 -5.004 3.810 9.436 1.00 62.32 H new ATOM 0 HG12 ILE A 47 -3.715 1.935 7.417 1.00 61.43 H new ATOM 0 HG13 ILE A 47 -4.118 3.614 7.115 1.00 61.43 H new ATOM 0 HG21 ILE A 47 -3.601 2.051 10.460 1.00 70.33 H new ATOM 0 HG22 ILE A 47 -5.331 1.783 10.781 1.00 70.33 H new ATOM 0 HG23 ILE A 47 -4.495 0.813 9.545 1.00 70.33 H new ATOM 0 HD11 ILE A 47 -1.739 3.362 7.630 1.00 61.34 H new ATOM 0 HD12 ILE A 47 -2.551 4.323 8.889 1.00 61.34 H new ATOM 0 HD13 ILE A 47 -2.142 2.618 9.195 1.00 61.34 H new ATOM 783 N GLN A 48 -7.872 3.635 9.736 1.00 23.22 N ATOM 784 CA GLN A 48 -8.920 3.741 10.744 1.00 61.11 C ATOM 785 C GLN A 48 -10.218 3.101 10.254 1.00 53.15 C ATOM 786 O GLN A 48 -10.896 2.405 11.011 1.00 11.12 O ATOM 787 CB GLN A 48 -9.156 5.202 11.132 1.00 12.32 C ATOM 788 CG GLN A 48 -7.975 5.843 11.844 1.00 71.12 C ATOM 789 CD GLN A 48 -8.211 7.302 12.172 1.00 13.40 C ATOM 790 OE1 GLN A 48 -8.752 7.634 13.231 1.00 5.23 O ATOM 791 NE2 GLN A 48 -7.793 8.184 11.280 1.00 20.44 N ATOM 0 H GLN A 48 -7.568 4.529 9.349 1.00 23.22 H new ATOM 0 HA GLN A 48 -8.587 3.200 11.630 1.00 61.11 H new ATOM 0 HB2 GLN A 48 -9.382 5.776 10.233 1.00 12.32 H new ATOM 0 HB3 GLN A 48 -10.033 5.261 11.777 1.00 12.32 H new ATOM 0 HG2 GLN A 48 -7.771 5.296 12.765 1.00 71.12 H new ATOM 0 HG3 GLN A 48 -7.087 5.755 11.218 1.00 71.12 H new ATOM 0 HE21 GLN A 48 -7.351 7.867 10.417 1.00 20.44 H new ATOM 0 HE22 GLN A 48 -7.913 9.182 11.455 1.00 20.44 H new ATOM 800 N LYS A 49 -10.545 3.321 8.978 1.00 30.41 N ATOM 801 CA LYS A 49 -11.758 2.753 8.381 1.00 24.23 C ATOM 802 C LYS A 49 -11.715 1.227 8.451 1.00 74.34 C ATOM 803 O LYS A 49 -12.709 0.575 8.782 1.00 2.53 O ATOM 804 CB LYS A 49 -11.893 3.184 6.909 1.00 34.02 C ATOM 805 CG LYS A 49 -11.844 4.689 6.670 1.00 20.33 C ATOM 806 CD LYS A 49 -13.060 5.406 7.237 1.00 52.40 C ATOM 807 CE LYS A 49 -12.996 6.900 6.938 1.00 4.43 C ATOM 808 NZ LYS A 49 -14.201 7.623 7.412 1.00 50.54 N ATOM 0 H LYS A 49 -9.988 3.888 8.338 1.00 30.41 H new ATOM 0 HA LYS A 49 -12.616 3.123 8.943 1.00 24.23 H new ATOM 0 HB2 LYS A 49 -11.095 2.714 6.334 1.00 34.02 H new ATOM 0 HB3 LYS A 49 -12.836 2.800 6.519 1.00 34.02 H new ATOM 0 HG2 LYS A 49 -10.941 5.097 7.124 1.00 20.33 H new ATOM 0 HG3 LYS A 49 -11.778 4.882 5.599 1.00 20.33 H new ATOM 0 HD2 LYS A 49 -13.969 4.984 6.809 1.00 52.40 H new ATOM 0 HD3 LYS A 49 -13.111 5.248 8.314 1.00 52.40 H new ATOM 0 HE2 LYS A 49 -12.111 7.325 7.411 1.00 4.43 H new ATOM 0 HE3 LYS A 49 -12.885 7.049 5.864 1.00 4.43 H new ATOM 0 HZ1 LYS A 49 -14.110 8.634 7.186 1.00 50.54 H new ATOM 0 HZ2 LYS A 49 -15.045 7.237 6.942 1.00 50.54 H new ATOM 0 HZ3 LYS A 49 -14.294 7.505 8.441 1.00 50.54 H new ATOM 822 N ILE A 50 -10.551 0.674 8.146 1.00 40.41 N ATOM 823 CA ILE A 50 -10.351 -0.768 8.144 1.00 43.20 C ATOM 824 C ILE A 50 -10.455 -1.354 9.550 1.00 72.43 C ATOM 825 O ILE A 50 -11.208 -2.300 9.782 1.00 72.13 O ATOM 826 CB ILE A 50 -8.978 -1.140 7.540 1.00 12.21 C ATOM 827 CG1 ILE A 50 -8.877 -0.631 6.101 1.00 3.13 C ATOM 828 CG2 ILE A 50 -8.761 -2.647 7.592 1.00 14.41 C ATOM 829 CD1 ILE A 50 -7.514 -0.831 5.478 1.00 13.44 C ATOM 0 H ILE A 50 -9.721 1.210 7.894 1.00 40.41 H new ATOM 0 HA ILE A 50 -11.143 -1.193 7.527 1.00 43.20 H new ATOM 0 HB ILE A 50 -8.197 -0.663 8.132 1.00 12.21 H new ATOM 0 HG12 ILE A 50 -9.623 -1.141 5.492 1.00 3.13 H new ATOM 0 HG13 ILE A 50 -9.122 0.431 6.083 1.00 3.13 H new ATOM 0 HG21 ILE A 50 -7.789 -2.890 7.162 1.00 14.41 H new ATOM 0 HG22 ILE A 50 -8.794 -2.984 8.628 1.00 14.41 H new ATOM 0 HG23 ILE A 50 -9.544 -3.147 7.023 1.00 14.41 H new ATOM 0 HD11 ILE A 50 -7.520 -0.446 4.458 1.00 13.44 H new ATOM 0 HD12 ILE A 50 -6.765 -0.298 6.063 1.00 13.44 H new ATOM 0 HD13 ILE A 50 -7.273 -1.894 5.463 1.00 13.44 H new ATOM 841 N LYS A 51 -9.711 -0.778 10.488 1.00 13.42 N ATOM 842 CA LYS A 51 -9.681 -1.281 11.864 1.00 63.14 C ATOM 843 C LYS A 51 -11.055 -1.217 12.528 1.00 41.51 C ATOM 844 O LYS A 51 -11.361 -2.016 13.412 1.00 74.24 O ATOM 845 CB LYS A 51 -8.660 -0.513 12.697 1.00 13.32 C ATOM 846 CG LYS A 51 -7.231 -0.634 12.185 1.00 71.01 C ATOM 847 CD LYS A 51 -6.244 0.057 13.113 1.00 43.23 C ATOM 848 CE LYS A 51 -6.568 1.531 13.283 1.00 12.12 C ATOM 849 NZ LYS A 51 -5.645 2.189 14.232 1.00 63.33 N ATOM 0 H LYS A 51 -9.120 0.037 10.325 1.00 13.42 H new ATOM 0 HA LYS A 51 -9.385 -2.329 11.815 1.00 63.14 H new ATOM 0 HB2 LYS A 51 -8.940 0.540 12.717 1.00 13.32 H new ATOM 0 HB3 LYS A 51 -8.699 -0.873 13.725 1.00 13.32 H new ATOM 0 HG2 LYS A 51 -6.966 -1.687 12.090 1.00 71.01 H new ATOM 0 HG3 LYS A 51 -7.162 -0.197 11.189 1.00 71.01 H new ATOM 0 HD2 LYS A 51 -6.256 -0.433 14.087 1.00 43.23 H new ATOM 0 HD3 LYS A 51 -5.235 -0.050 12.715 1.00 43.23 H new ATOM 0 HE2 LYS A 51 -6.511 2.030 12.315 1.00 12.12 H new ATOM 0 HE3 LYS A 51 -7.593 1.640 13.638 1.00 12.12 H new ATOM 0 HZ1 LYS A 51 -5.898 3.194 14.322 1.00 63.33 H new ATOM 0 HZ2 LYS A 51 -5.717 1.729 15.162 1.00 63.33 H new ATOM 0 HZ3 LYS A 51 -4.670 2.107 13.881 1.00 63.33 H new ATOM 863 N SER A 52 -11.881 -0.276 12.099 1.00 11.32 N ATOM 864 CA SER A 52 -13.218 -0.127 12.654 1.00 42.44 C ATOM 865 C SER A 52 -14.215 -1.090 12.002 1.00 73.40 C ATOM 866 O SER A 52 -15.389 -1.119 12.371 1.00 32.23 O ATOM 867 CB SER A 52 -13.695 1.317 12.510 1.00 15.12 C ATOM 868 OG SER A 52 -12.903 2.193 13.304 1.00 43.22 O ATOM 0 H SER A 52 -11.650 0.397 11.368 1.00 11.32 H new ATOM 0 HA SER A 52 -13.166 -0.379 13.713 1.00 42.44 H new ATOM 0 HB2 SER A 52 -13.642 1.619 11.464 1.00 15.12 H new ATOM 0 HB3 SER A 52 -14.740 1.391 12.811 1.00 15.12 H new ATOM 0 HG SER A 52 -12.116 2.476 12.793 1.00 43.22 H new ATOM 874 N GLY A 53 -13.744 -1.875 11.041 1.00 42.23 N ATOM 875 CA GLY A 53 -14.611 -2.823 10.369 1.00 44.14 C ATOM 876 C GLY A 53 -15.581 -2.145 9.426 1.00 30.54 C ATOM 877 O GLY A 53 -16.674 -2.659 9.163 1.00 2.04 O ATOM 0 H GLY A 53 -12.777 -1.872 10.715 1.00 42.23 H new ATOM 0 HA2 GLY A 53 -14.003 -3.536 9.811 1.00 44.14 H new ATOM 0 HA3 GLY A 53 -15.168 -3.393 11.113 1.00 44.14 H new ATOM 881 N GLU A 54 -15.191 -0.988 8.922 1.00 64.35 N ATOM 882 CA GLU A 54 -16.024 -0.246 8.002 1.00 40.02 C ATOM 883 C GLU A 54 -15.750 -0.686 6.580 1.00 13.23 C ATOM 884 O GLU A 54 -16.620 -1.244 5.907 1.00 24.43 O ATOM 885 CB GLU A 54 -15.773 1.253 8.133 1.00 22.52 C ATOM 886 CG GLU A 54 -16.128 1.832 9.488 1.00 55.11 C ATOM 887 CD GLU A 54 -15.911 3.326 9.542 1.00 72.25 C ATOM 888 OE1 GLU A 54 -16.554 4.048 8.754 1.00 70.42 O ATOM 889 OE2 GLU A 54 -15.106 3.790 10.376 1.00 10.54 O ATOM 0 H GLU A 54 -14.299 -0.543 9.137 1.00 64.35 H new ATOM 0 HA GLU A 54 -17.066 -0.448 8.248 1.00 40.02 H new ATOM 0 HB2 GLU A 54 -14.720 1.452 7.931 1.00 22.52 H new ATOM 0 HB3 GLU A 54 -16.348 1.773 7.367 1.00 22.52 H new ATOM 0 HG2 GLU A 54 -17.171 1.609 9.715 1.00 55.11 H new ATOM 0 HG3 GLU A 54 -15.524 1.350 10.257 1.00 55.11 H new ATOM 896 N GLU A 55 -14.534 -0.453 6.138 1.00 23.14 N ATOM 897 CA GLU A 55 -14.131 -0.786 4.793 1.00 30.53 C ATOM 898 C GLU A 55 -13.044 -1.840 4.807 1.00 24.22 C ATOM 899 O GLU A 55 -12.177 -1.838 5.682 1.00 13.51 O ATOM 900 CB GLU A 55 -13.620 0.461 4.073 1.00 45.21 C ATOM 901 CG GLU A 55 -14.680 1.518 3.826 1.00 61.32 C ATOM 902 CD GLU A 55 -15.734 1.059 2.848 1.00 74.21 C ATOM 903 OE1 GLU A 55 -15.507 1.171 1.624 1.00 32.42 O ATOM 904 OE2 GLU A 55 -16.799 0.591 3.292 1.00 54.00 O ATOM 0 H GLU A 55 -13.798 -0.027 6.702 1.00 23.14 H new ATOM 0 HA GLU A 55 -14.999 -1.180 4.265 1.00 30.53 H new ATOM 0 HB2 GLU A 55 -12.815 0.901 4.661 1.00 45.21 H new ATOM 0 HB3 GLU A 55 -13.190 0.164 3.116 1.00 45.21 H new ATOM 0 HG2 GLU A 55 -15.155 1.780 4.771 1.00 61.32 H new ATOM 0 HG3 GLU A 55 -14.205 2.423 3.446 1.00 61.32 H new ATOM 911 N ASP A 56 -13.104 -2.746 3.853 1.00 13.41 N ATOM 912 CA ASP A 56 -12.081 -3.766 3.710 1.00 45.33 C ATOM 913 C ASP A 56 -10.870 -3.178 3.034 1.00 22.54 C ATOM 914 O ASP A 56 -10.987 -2.222 2.256 1.00 10.52 O ATOM 915 CB ASP A 56 -12.588 -4.952 2.881 1.00 4.32 C ATOM 916 CG ASP A 56 -13.472 -5.895 3.657 1.00 25.33 C ATOM 917 OD1 ASP A 56 -14.695 -5.665 3.713 1.00 2.12 O ATOM 918 OD2 ASP A 56 -12.949 -6.891 4.202 1.00 12.22 O ATOM 0 H ASP A 56 -13.852 -2.798 3.162 1.00 13.41 H new ATOM 0 HA ASP A 56 -11.822 -4.123 4.707 1.00 45.33 H new ATOM 0 HB2 ASP A 56 -13.141 -4.574 2.021 1.00 4.32 H new ATOM 0 HB3 ASP A 56 -11.733 -5.505 2.492 1.00 4.32 H new ATOM 923 N PHE A 57 -9.712 -3.738 3.319 1.00 2.12 N ATOM 924 CA PHE A 57 -8.480 -3.291 2.701 1.00 55.54 C ATOM 925 C PHE A 57 -8.583 -3.439 1.188 1.00 43.23 C ATOM 926 O PHE A 57 -8.208 -2.540 0.438 1.00 70.45 O ATOM 927 CB PHE A 57 -7.293 -4.099 3.236 1.00 53.14 C ATOM 928 CG PHE A 57 -5.961 -3.642 2.712 1.00 75.24 C ATOM 929 CD1 PHE A 57 -5.284 -2.603 3.323 1.00 52.15 C ATOM 930 CD2 PHE A 57 -5.386 -4.251 1.610 1.00 62.44 C ATOM 931 CE1 PHE A 57 -4.063 -2.180 2.848 1.00 21.30 C ATOM 932 CE2 PHE A 57 -4.165 -3.830 1.131 1.00 31.31 C ATOM 933 CZ PHE A 57 -3.503 -2.793 1.751 1.00 13.44 C ATOM 0 H PHE A 57 -9.598 -4.508 3.978 1.00 2.12 H new ATOM 0 HA PHE A 57 -8.319 -2.241 2.946 1.00 55.54 H new ATOM 0 HB2 PHE A 57 -7.285 -4.038 4.324 1.00 53.14 H new ATOM 0 HB3 PHE A 57 -7.434 -5.148 2.977 1.00 53.14 H new ATOM 0 HD1 PHE A 57 -5.719 -2.117 4.184 1.00 52.15 H new ATOM 0 HD2 PHE A 57 -5.900 -5.065 1.120 1.00 62.44 H new ATOM 0 HE1 PHE A 57 -3.545 -1.368 3.336 1.00 21.30 H new ATOM 0 HE2 PHE A 57 -3.727 -4.313 0.270 1.00 31.31 H new ATOM 0 HZ PHE A 57 -2.546 -2.462 1.376 1.00 13.44 H new ATOM 943 N GLU A 58 -9.120 -4.572 0.756 1.00 71.31 N ATOM 944 CA GLU A 58 -9.304 -4.859 -0.655 1.00 11.05 C ATOM 945 C GLU A 58 -10.274 -3.862 -1.280 1.00 70.03 C ATOM 946 O GLU A 58 -10.077 -3.409 -2.409 1.00 51.15 O ATOM 947 CB GLU A 58 -9.828 -6.290 -0.853 1.00 35.43 C ATOM 948 CG GLU A 58 -9.008 -7.365 -0.145 1.00 1.53 C ATOM 949 CD GLU A 58 -9.529 -7.690 1.247 1.00 22.42 C ATOM 950 OE1 GLU A 58 -9.603 -6.781 2.096 1.00 73.23 O ATOM 951 OE2 GLU A 58 -9.885 -8.867 1.491 1.00 12.32 O ATOM 0 H GLU A 58 -9.439 -5.316 1.376 1.00 71.31 H new ATOM 0 HA GLU A 58 -8.336 -4.768 -1.148 1.00 11.05 H new ATOM 0 HB2 GLU A 58 -10.856 -6.340 -0.495 1.00 35.43 H new ATOM 0 HB3 GLU A 58 -9.851 -6.511 -1.920 1.00 35.43 H new ATOM 0 HG2 GLU A 58 -9.010 -8.272 -0.749 1.00 1.53 H new ATOM 0 HG3 GLU A 58 -7.972 -7.034 -0.071 1.00 1.53 H new ATOM 958 N SER A 59 -11.314 -3.515 -0.534 1.00 75.44 N ATOM 959 CA SER A 59 -12.312 -2.570 -1.000 1.00 64.22 C ATOM 960 C SER A 59 -11.699 -1.187 -1.193 1.00 54.40 C ATOM 961 O SER A 59 -11.998 -0.495 -2.166 1.00 52.00 O ATOM 962 CB SER A 59 -13.469 -2.496 -0.008 1.00 3.11 C ATOM 963 OG SER A 59 -14.012 -3.781 0.227 1.00 30.44 O ATOM 0 H SER A 59 -11.486 -3.879 0.403 1.00 75.44 H new ATOM 0 HA SER A 59 -12.689 -2.916 -1.962 1.00 64.22 H new ATOM 0 HB2 SER A 59 -13.122 -2.066 0.931 1.00 3.11 H new ATOM 0 HB3 SER A 59 -14.244 -1.834 -0.395 1.00 3.11 H new ATOM 0 HG SER A 59 -14.751 -3.712 0.867 1.00 30.44 H new ATOM 969 N LEU A 60 -10.838 -0.790 -0.269 1.00 1.21 N ATOM 970 CA LEU A 60 -10.180 0.501 -0.356 1.00 4.43 C ATOM 971 C LEU A 60 -9.123 0.493 -1.444 1.00 64.13 C ATOM 972 O LEU A 60 -8.971 1.466 -2.175 1.00 62.30 O ATOM 973 CB LEU A 60 -9.563 0.895 0.987 1.00 20.40 C ATOM 974 CG LEU A 60 -10.558 1.142 2.124 1.00 32.01 C ATOM 975 CD1 LEU A 60 -9.828 1.517 3.397 1.00 30.23 C ATOM 976 CD2 LEU A 60 -11.549 2.231 1.741 1.00 60.53 C ATOM 0 H LEU A 60 -10.580 -1.343 0.548 1.00 1.21 H new ATOM 0 HA LEU A 60 -10.935 1.244 -0.613 1.00 4.43 H new ATOM 0 HB2 LEU A 60 -8.874 0.108 1.295 1.00 20.40 H new ATOM 0 HB3 LEU A 60 -8.971 1.799 0.843 1.00 20.40 H new ATOM 0 HG LEU A 60 -11.111 0.219 2.301 1.00 32.01 H new ATOM 0 HD11 LEU A 60 -10.551 1.689 4.194 1.00 30.23 H new ATOM 0 HD12 LEU A 60 -9.157 0.707 3.684 1.00 30.23 H new ATOM 0 HD13 LEU A 60 -9.249 2.425 3.230 1.00 30.23 H new ATOM 0 HD21 LEU A 60 -12.248 2.392 2.562 1.00 60.53 H new ATOM 0 HD22 LEU A 60 -11.011 3.156 1.535 1.00 60.53 H new ATOM 0 HD23 LEU A 60 -12.099 1.926 0.851 1.00 60.53 H new ATOM 988 N ALA A 61 -8.409 -0.614 -1.562 1.00 41.11 N ATOM 989 CA ALA A 61 -7.377 -0.753 -2.579 1.00 33.45 C ATOM 990 C ALA A 61 -7.980 -0.714 -3.978 1.00 35.31 C ATOM 991 O ALA A 61 -7.365 -0.224 -4.912 1.00 50.35 O ATOM 992 CB ALA A 61 -6.594 -2.037 -2.369 1.00 63.54 C ATOM 0 H ALA A 61 -8.525 -1.433 -0.965 1.00 41.11 H new ATOM 0 HA ALA A 61 -6.692 0.090 -2.485 1.00 33.45 H new ATOM 0 HB1 ALA A 61 -5.827 -2.125 -3.138 1.00 63.54 H new ATOM 0 HB2 ALA A 61 -6.123 -2.019 -1.386 1.00 63.54 H new ATOM 0 HB3 ALA A 61 -7.270 -2.890 -2.432 1.00 63.54 H new ATOM 998 N SER A 62 -9.197 -1.213 -4.107 1.00 50.53 N ATOM 999 CA SER A 62 -9.885 -1.223 -5.389 1.00 55.41 C ATOM 1000 C SER A 62 -10.415 0.162 -5.750 1.00 44.24 C ATOM 1001 O SER A 62 -10.810 0.406 -6.890 1.00 42.55 O ATOM 1002 CB SER A 62 -11.046 -2.217 -5.361 1.00 30.35 C ATOM 1003 OG SER A 62 -10.597 -3.518 -5.047 1.00 62.25 O ATOM 0 H SER A 62 -9.731 -1.618 -3.338 1.00 50.53 H new ATOM 0 HA SER A 62 -9.161 -1.525 -6.146 1.00 55.41 H new ATOM 0 HB2 SER A 62 -11.784 -1.897 -4.626 1.00 30.35 H new ATOM 0 HB3 SER A 62 -11.544 -2.226 -6.330 1.00 30.35 H new ATOM 0 HG SER A 62 -10.639 -3.654 -4.077 1.00 62.25 H new ATOM 1009 N GLN A 63 -10.418 1.066 -4.786 1.00 13.44 N ATOM 1010 CA GLN A 63 -10.984 2.382 -5.006 1.00 21.12 C ATOM 1011 C GLN A 63 -9.950 3.498 -4.941 1.00 11.13 C ATOM 1012 O GLN A 63 -9.946 4.371 -5.785 1.00 5.34 O ATOM 1013 CB GLN A 63 -12.095 2.663 -3.993 1.00 32.42 C ATOM 1014 CG GLN A 63 -13.315 1.771 -4.139 1.00 3.31 C ATOM 1015 CD GLN A 63 -14.338 2.015 -3.049 1.00 75.31 C ATOM 1016 OE1 GLN A 63 -15.232 2.852 -3.190 1.00 60.10 O ATOM 1017 NE2 GLN A 63 -14.211 1.292 -1.955 1.00 45.40 N ATOM 0 H GLN A 63 -10.038 0.914 -3.852 1.00 13.44 H new ATOM 0 HA GLN A 63 -11.389 2.372 -6.018 1.00 21.12 H new ATOM 0 HB2 GLN A 63 -11.692 2.545 -2.987 1.00 32.42 H new ATOM 0 HB3 GLN A 63 -12.406 3.703 -4.092 1.00 32.42 H new ATOM 0 HG2 GLN A 63 -13.775 1.945 -5.112 1.00 3.31 H new ATOM 0 HG3 GLN A 63 -13.004 0.727 -4.115 1.00 3.31 H new ATOM 0 HE21 GLN A 63 -13.456 0.610 -1.879 1.00 45.40 H new ATOM 0 HE22 GLN A 63 -14.867 1.414 -1.184 1.00 45.40 H new ATOM 1026 N PHE A 64 -9.073 3.463 -3.953 1.00 62.53 N ATOM 1027 CA PHE A 64 -8.174 4.592 -3.716 1.00 34.40 C ATOM 1028 C PHE A 64 -6.726 4.357 -4.152 1.00 64.13 C ATOM 1029 O PHE A 64 -5.934 5.291 -4.145 1.00 12.21 O ATOM 1030 CB PHE A 64 -8.223 5.000 -2.245 1.00 32.13 C ATOM 1031 CG PHE A 64 -9.599 5.395 -1.781 1.00 21.14 C ATOM 1032 CD1 PHE A 64 -10.100 6.658 -2.052 1.00 0.44 C ATOM 1033 CD2 PHE A 64 -10.392 4.503 -1.078 1.00 51.42 C ATOM 1034 CE1 PHE A 64 -11.363 7.024 -1.630 1.00 32.11 C ATOM 1035 CE2 PHE A 64 -11.656 4.864 -0.654 1.00 5.21 C ATOM 1036 CZ PHE A 64 -12.142 6.125 -0.930 1.00 62.21 C ATOM 0 H PHE A 64 -8.960 2.681 -3.308 1.00 62.53 H new ATOM 0 HA PHE A 64 -8.541 5.400 -4.349 1.00 34.40 H new ATOM 0 HB2 PHE A 64 -7.865 4.172 -1.634 1.00 32.13 H new ATOM 0 HB3 PHE A 64 -7.540 5.834 -2.084 1.00 32.13 H new ATOM 0 HD1 PHE A 64 -9.495 7.365 -2.600 1.00 0.44 H new ATOM 0 HD2 PHE A 64 -10.018 3.514 -0.859 1.00 51.42 H new ATOM 0 HE1 PHE A 64 -11.741 8.012 -1.847 1.00 32.11 H new ATOM 0 HE2 PHE A 64 -12.264 4.159 -0.106 1.00 5.21 H new ATOM 0 HZ PHE A 64 -13.130 6.408 -0.599 1.00 62.21 H new ATOM 1046 N SER A 65 -6.373 3.135 -4.520 1.00 41.21 N ATOM 1047 CA SER A 65 -5.002 2.867 -4.956 1.00 5.21 C ATOM 1048 C SER A 65 -4.709 3.531 -6.293 1.00 51.54 C ATOM 1049 O SER A 65 -5.393 3.280 -7.285 1.00 14.22 O ATOM 1050 CB SER A 65 -4.730 1.369 -5.051 1.00 32.21 C ATOM 1051 OG SER A 65 -4.679 0.773 -3.772 1.00 62.23 O ATOM 0 H SER A 65 -6.996 2.327 -4.528 1.00 41.21 H new ATOM 0 HA SER A 65 -4.339 3.292 -4.202 1.00 5.21 H new ATOM 0 HB2 SER A 65 -5.510 0.893 -5.645 1.00 32.21 H new ATOM 0 HB3 SER A 65 -3.786 1.201 -5.570 1.00 32.21 H new ATOM 0 HG SER A 65 -4.505 -0.187 -3.865 1.00 62.23 H new ATOM 1057 N ASP A 66 -3.689 4.380 -6.313 1.00 15.12 N ATOM 1058 CA ASP A 66 -3.277 5.067 -7.536 1.00 40.52 C ATOM 1059 C ASP A 66 -2.568 4.107 -8.501 1.00 34.50 C ATOM 1060 O ASP A 66 -2.182 4.501 -9.608 1.00 1.20 O ATOM 1061 CB ASP A 66 -2.337 6.252 -7.228 1.00 12.44 C ATOM 1062 CG ASP A 66 -3.006 7.412 -6.499 1.00 63.13 C ATOM 1063 OD1 ASP A 66 -3.965 7.999 -7.046 1.00 33.23 O ATOM 1064 OD2 ASP A 66 -2.551 7.759 -5.381 1.00 45.01 O ATOM 0 H ASP A 66 -3.128 4.612 -5.493 1.00 15.12 H new ATOM 0 HA ASP A 66 -4.186 5.444 -8.005 1.00 40.52 H new ATOM 0 HB2 ASP A 66 -1.503 5.892 -6.625 1.00 12.44 H new ATOM 0 HB3 ASP A 66 -1.917 6.620 -8.164 1.00 12.44 H new ATOM 1069 N ASP A 67 -2.387 2.854 -8.085 1.00 33.44 N ATOM 1070 CA ASP A 67 -1.706 1.872 -8.927 1.00 33.14 C ATOM 1071 C ASP A 67 -2.693 1.047 -9.753 1.00 72.50 C ATOM 1072 O ASP A 67 -3.898 1.047 -9.494 1.00 50.31 O ATOM 1073 CB ASP A 67 -0.771 0.959 -8.109 1.00 40.31 C ATOM 1074 CG ASP A 67 -1.485 0.086 -7.100 1.00 21.24 C ATOM 1075 OD1 ASP A 67 -1.912 -1.024 -7.467 1.00 61.10 O ATOM 1076 OD2 ASP A 67 -1.583 0.488 -5.927 1.00 12.04 O ATOM 0 H ASP A 67 -2.698 2.498 -7.181 1.00 33.44 H new ATOM 0 HA ASP A 67 -1.086 2.437 -9.623 1.00 33.14 H new ATOM 0 HB2 ASP A 67 -0.213 0.321 -8.795 1.00 40.31 H new ATOM 0 HB3 ASP A 67 -0.043 1.579 -7.586 1.00 40.31 H new ATOM 1081 N SER A 68 -2.167 0.345 -10.746 1.00 21.14 N ATOM 1082 CA SER A 68 -2.981 -0.433 -11.674 1.00 20.40 C ATOM 1083 C SER A 68 -3.529 -1.712 -11.039 1.00 20.52 C ATOM 1084 O SER A 68 -4.495 -2.294 -11.534 1.00 60.00 O ATOM 1085 CB SER A 68 -2.157 -0.774 -12.910 1.00 21.13 C ATOM 1086 OG SER A 68 -1.556 0.395 -13.448 1.00 31.20 O ATOM 0 H SER A 68 -1.165 0.297 -10.933 1.00 21.14 H new ATOM 0 HA SER A 68 -3.840 0.178 -11.953 1.00 20.40 H new ATOM 0 HB2 SER A 68 -1.386 -1.500 -12.651 1.00 21.13 H new ATOM 0 HB3 SER A 68 -2.794 -1.241 -13.661 1.00 21.13 H new ATOM 0 HG SER A 68 -1.030 0.157 -14.240 1.00 31.20 H new ATOM 1092 N SER A 69 -2.929 -2.139 -9.941 1.00 51.41 N ATOM 1093 CA SER A 69 -3.362 -3.347 -9.265 1.00 45.40 C ATOM 1094 C SER A 69 -4.676 -3.112 -8.526 1.00 35.34 C ATOM 1095 O SER A 69 -5.293 -4.056 -8.032 1.00 64.45 O ATOM 1096 CB SER A 69 -2.283 -3.864 -8.308 1.00 23.01 C ATOM 1097 OG SER A 69 -2.699 -5.059 -7.661 1.00 72.32 O ATOM 0 H SER A 69 -2.140 -1.666 -9.500 1.00 51.41 H new ATOM 0 HA SER A 69 -3.529 -4.113 -10.023 1.00 45.40 H new ATOM 0 HB2 SER A 69 -1.362 -4.048 -8.860 1.00 23.01 H new ATOM 0 HB3 SER A 69 -2.060 -3.102 -7.561 1.00 23.01 H new ATOM 0 HG SER A 69 -3.677 -5.118 -7.680 1.00 72.32 H new ATOM 1103 N ALA A 70 -5.081 -1.844 -8.433 1.00 54.40 N ATOM 1104 CA ALA A 70 -6.331 -1.461 -7.775 1.00 61.04 C ATOM 1105 C ALA A 70 -7.521 -2.266 -8.306 1.00 31.20 C ATOM 1106 O ALA A 70 -8.376 -2.703 -7.540 1.00 75.52 O ATOM 1107 CB ALA A 70 -6.584 0.027 -7.958 1.00 21.24 C ATOM 0 H ALA A 70 -4.554 -1.057 -8.810 1.00 54.40 H new ATOM 0 HA ALA A 70 -6.228 -1.683 -6.713 1.00 61.04 H new ATOM 0 HB1 ALA A 70 -7.516 0.301 -7.465 1.00 21.24 H new ATOM 0 HB2 ALA A 70 -5.762 0.592 -7.520 1.00 21.24 H new ATOM 0 HB3 ALA A 70 -6.655 0.256 -9.021 1.00 21.24 H new ATOM 1113 N LYS A 71 -7.556 -2.486 -9.620 1.00 14.13 N ATOM 1114 CA LYS A 71 -8.652 -3.238 -10.241 1.00 23.11 C ATOM 1115 C LYS A 71 -8.636 -4.708 -9.800 1.00 32.05 C ATOM 1116 O LYS A 71 -9.633 -5.413 -9.911 1.00 34.12 O ATOM 1117 CB LYS A 71 -8.589 -3.133 -11.772 1.00 41.32 C ATOM 1118 CG LYS A 71 -7.314 -3.699 -12.387 1.00 44.51 C ATOM 1119 CD LYS A 71 -7.303 -3.542 -13.904 1.00 52.53 C ATOM 1120 CE LYS A 71 -7.270 -2.076 -14.319 1.00 71.12 C ATOM 1121 NZ LYS A 71 -7.267 -1.915 -15.796 1.00 31.11 N ATOM 0 H LYS A 71 -6.845 -2.158 -10.273 1.00 14.13 H new ATOM 0 HA LYS A 71 -9.590 -2.795 -9.905 1.00 23.11 H new ATOM 0 HB2 LYS A 71 -9.446 -3.656 -12.196 1.00 41.32 H new ATOM 0 HB3 LYS A 71 -8.682 -2.085 -12.057 1.00 41.32 H new ATOM 0 HG2 LYS A 71 -6.448 -3.191 -11.962 1.00 44.51 H new ATOM 0 HG3 LYS A 71 -7.223 -4.754 -12.129 1.00 44.51 H new ATOM 0 HD2 LYS A 71 -6.435 -4.057 -14.317 1.00 52.53 H new ATOM 0 HD3 LYS A 71 -8.187 -4.020 -14.326 1.00 52.53 H new ATOM 0 HE2 LYS A 71 -8.135 -1.561 -13.900 1.00 71.12 H new ATOM 0 HE3 LYS A 71 -6.383 -1.601 -13.901 1.00 71.12 H new ATOM 0 HZ1 LYS A 71 -7.244 -0.903 -16.035 1.00 31.11 H new ATOM 0 HZ2 LYS A 71 -6.429 -2.384 -16.195 1.00 31.11 H new ATOM 0 HZ3 LYS A 71 -8.126 -2.345 -16.194 1.00 31.11 H new ATOM 1135 N ALA A 72 -7.502 -5.148 -9.287 1.00 10.43 N ATOM 1136 CA ALA A 72 -7.348 -6.509 -8.810 1.00 34.52 C ATOM 1137 C ALA A 72 -7.435 -6.541 -7.290 1.00 54.31 C ATOM 1138 O ALA A 72 -6.884 -7.432 -6.644 1.00 32.32 O ATOM 1139 CB ALA A 72 -6.018 -7.082 -9.283 1.00 31.13 C ATOM 0 H ALA A 72 -6.665 -4.574 -9.190 1.00 10.43 H new ATOM 0 HA ALA A 72 -8.152 -7.122 -9.217 1.00 34.52 H new ATOM 0 HB1 ALA A 72 -5.912 -8.104 -8.919 1.00 31.13 H new ATOM 0 HB2 ALA A 72 -5.988 -7.079 -10.373 1.00 31.13 H new ATOM 0 HB3 ALA A 72 -5.201 -6.473 -8.896 1.00 31.13 H new ATOM 1145 N ARG A 73 -8.129 -5.539 -6.729 1.00 43.02 N ATOM 1146 CA ARG A 73 -8.328 -5.410 -5.274 1.00 73.54 C ATOM 1147 C ARG A 73 -7.023 -5.091 -4.560 1.00 63.52 C ATOM 1148 O ARG A 73 -6.943 -5.167 -3.336 1.00 74.02 O ATOM 1149 CB ARG A 73 -8.966 -6.679 -4.666 1.00 64.02 C ATOM 1150 CG ARG A 73 -10.478 -6.800 -4.855 1.00 74.14 C ATOM 1151 CD ARG A 73 -10.863 -7.016 -6.310 1.00 25.11 C ATOM 1152 NE ARG A 73 -12.306 -7.211 -6.468 1.00 12.45 N ATOM 1153 CZ ARG A 73 -12.879 -7.787 -7.525 1.00 1.43 C ATOM 1154 NH1 ARG A 73 -12.135 -8.212 -8.540 1.00 24.42 N ATOM 1155 NH2 ARG A 73 -14.199 -7.938 -7.563 1.00 62.51 N ATOM 0 H ARG A 73 -8.569 -4.794 -7.270 1.00 43.02 H new ATOM 0 HA ARG A 73 -9.017 -4.579 -5.126 1.00 73.54 H new ATOM 0 HB2 ARG A 73 -8.489 -7.554 -5.108 1.00 64.02 H new ATOM 0 HB3 ARG A 73 -8.746 -6.701 -3.599 1.00 64.02 H new ATOM 0 HG2 ARG A 73 -10.851 -7.630 -4.256 1.00 74.14 H new ATOM 0 HG3 ARG A 73 -10.962 -5.896 -4.484 1.00 74.14 H new ATOM 0 HD2 ARG A 73 -10.545 -6.157 -6.901 1.00 25.11 H new ATOM 0 HD3 ARG A 73 -10.334 -7.885 -6.701 1.00 25.11 H new ATOM 0 HE ARG A 73 -12.914 -6.884 -5.718 1.00 12.45 H new ATOM 0 HH11 ARG A 73 -11.122 -8.098 -8.512 1.00 24.42 H new ATOM 0 HH12 ARG A 73 -12.577 -8.652 -9.347 1.00 24.42 H new ATOM 0 HH21 ARG A 73 -14.772 -7.613 -6.784 1.00 62.51 H new ATOM 0 HH22 ARG A 73 -14.639 -8.378 -8.371 1.00 62.51 H new ATOM 1169 N GLY A 74 -6.004 -4.722 -5.332 1.00 70.20 N ATOM 1170 CA GLY A 74 -4.699 -4.445 -4.763 1.00 53.03 C ATOM 1171 C GLY A 74 -4.043 -5.706 -4.240 1.00 2.31 C ATOM 1172 O GLY A 74 -3.000 -5.652 -3.583 1.00 3.45 O ATOM 0 H GLY A 74 -6.061 -4.610 -6.344 1.00 70.20 H new ATOM 0 HA2 GLY A 74 -4.061 -3.988 -5.519 1.00 53.03 H new ATOM 0 HA3 GLY A 74 -4.800 -3.723 -3.953 1.00 53.03 H new ATOM 1176 N ASP A 75 -4.658 -6.840 -4.551 1.00 1.22 N ATOM 1177 CA ASP A 75 -4.197 -8.136 -4.093 1.00 74.44 C ATOM 1178 C ASP A 75 -3.036 -8.631 -4.923 1.00 15.02 C ATOM 1179 O ASP A 75 -3.153 -8.813 -6.143 1.00 0.22 O ATOM 1180 CB ASP A 75 -5.347 -9.148 -4.132 1.00 44.42 C ATOM 1181 CG ASP A 75 -4.910 -10.559 -3.792 1.00 30.33 C ATOM 1182 OD1 ASP A 75 -4.630 -10.835 -2.613 1.00 61.30 O ATOM 1183 OD2 ASP A 75 -4.875 -11.412 -4.703 1.00 40.13 O ATOM 0 H ASP A 75 -5.495 -6.882 -5.132 1.00 1.22 H new ATOM 0 HA ASP A 75 -3.851 -8.027 -3.065 1.00 74.44 H new ATOM 0 HB2 ASP A 75 -6.122 -8.835 -3.432 1.00 44.42 H new ATOM 0 HB3 ASP A 75 -5.794 -9.142 -5.126 1.00 44.42 H new ATOM 1188 N LEU A 76 -1.916 -8.825 -4.270 1.00 73.32 N ATOM 1189 CA LEU A 76 -0.730 -9.331 -4.915 1.00 33.45 C ATOM 1190 C LEU A 76 -0.582 -10.806 -4.608 1.00 25.34 C ATOM 1191 O LEU A 76 -1.339 -11.363 -3.807 1.00 64.33 O ATOM 1192 CB LEU A 76 0.516 -8.577 -4.439 1.00 3.33 C ATOM 1193 CG LEU A 76 0.505 -7.059 -4.637 1.00 53.10 C ATOM 1194 CD1 LEU A 76 1.788 -6.448 -4.100 1.00 40.30 C ATOM 1195 CD2 LEU A 76 0.324 -6.710 -6.105 1.00 2.42 C ATOM 0 H LEU A 76 -1.802 -8.636 -3.274 1.00 73.32 H new ATOM 0 HA LEU A 76 -0.829 -9.184 -5.991 1.00 33.45 H new ATOM 0 HB2 LEU A 76 0.656 -8.783 -3.378 1.00 3.33 H new ATOM 0 HB3 LEU A 76 1.383 -8.984 -4.960 1.00 3.33 H new ATOM 0 HG LEU A 76 -0.337 -6.646 -4.082 1.00 53.10 H new ATOM 0 HD11 LEU A 76 1.766 -5.368 -4.247 1.00 40.30 H new ATOM 0 HD12 LEU A 76 1.878 -6.667 -3.036 1.00 40.30 H new ATOM 0 HD13 LEU A 76 2.642 -6.870 -4.631 1.00 40.30 H new ATOM 0 HD21 LEU A 76 0.319 -5.626 -6.223 1.00 2.42 H new ATOM 0 HD22 LEU A 76 1.144 -7.135 -6.684 1.00 2.42 H new ATOM 0 HD23 LEU A 76 -0.621 -7.118 -6.462 1.00 2.42 H new ATOM 1207 N GLY A 77 0.358 -11.436 -5.249 1.00 72.30 N ATOM 1208 CA GLY A 77 0.605 -12.830 -5.004 1.00 0.32 C ATOM 1209 C GLY A 77 1.819 -13.021 -4.137 1.00 34.45 C ATOM 1210 O GLY A 77 2.312 -12.065 -3.540 1.00 22.13 O ATOM 0 H GLY A 77 0.968 -11.008 -5.946 1.00 72.30 H new ATOM 0 HA2 GLY A 77 -0.264 -13.277 -4.522 1.00 0.32 H new ATOM 0 HA3 GLY A 77 0.746 -13.350 -5.952 1.00 0.32 H new ATOM 1214 N ALA A 78 2.304 -14.242 -4.053 1.00 53.34 N ATOM 1215 CA ALA A 78 3.493 -14.519 -3.281 1.00 71.43 C ATOM 1216 C ALA A 78 4.715 -14.031 -4.038 1.00 41.54 C ATOM 1217 O ALA A 78 5.074 -14.581 -5.084 1.00 43.52 O ATOM 1218 CB ALA A 78 3.601 -16.006 -2.978 1.00 40.14 C ATOM 0 H ALA A 78 1.893 -15.056 -4.510 1.00 53.34 H new ATOM 0 HA ALA A 78 3.433 -13.990 -2.330 1.00 71.43 H new ATOM 0 HB1 ALA A 78 4.503 -16.194 -2.396 1.00 40.14 H new ATOM 0 HB2 ALA A 78 2.728 -16.326 -2.408 1.00 40.14 H new ATOM 0 HB3 ALA A 78 3.649 -16.565 -3.912 1.00 40.14 H new ATOM 1224 N PHE A 79 5.337 -12.994 -3.531 1.00 75.13 N ATOM 1225 CA PHE A 79 6.488 -12.413 -4.188 1.00 24.12 C ATOM 1226 C PHE A 79 7.735 -12.545 -3.332 1.00 22.24 C ATOM 1227 O PHE A 79 7.658 -12.548 -2.104 1.00 4.45 O ATOM 1228 CB PHE A 79 6.226 -10.936 -4.550 1.00 21.00 C ATOM 1229 CG PHE A 79 5.878 -10.049 -3.376 1.00 73.05 C ATOM 1230 CD1 PHE A 79 4.559 -9.886 -2.981 1.00 73.33 C ATOM 1231 CD2 PHE A 79 6.869 -9.376 -2.677 1.00 34.23 C ATOM 1232 CE1 PHE A 79 4.236 -9.074 -1.912 1.00 43.01 C ATOM 1233 CE2 PHE A 79 6.551 -8.561 -1.607 1.00 10.15 C ATOM 1234 CZ PHE A 79 5.232 -8.410 -1.224 1.00 50.20 C ATOM 0 H PHE A 79 5.066 -12.532 -2.663 1.00 75.13 H new ATOM 0 HA PHE A 79 6.658 -12.966 -5.112 1.00 24.12 H new ATOM 0 HB2 PHE A 79 7.112 -10.534 -5.041 1.00 21.00 H new ATOM 0 HB3 PHE A 79 5.413 -10.893 -5.274 1.00 21.00 H new ATOM 0 HD1 PHE A 79 3.775 -10.401 -3.516 1.00 73.33 H new ATOM 0 HD2 PHE A 79 7.902 -9.490 -2.972 1.00 34.23 H new ATOM 0 HE1 PHE A 79 3.204 -8.958 -1.614 1.00 43.01 H new ATOM 0 HE2 PHE A 79 7.332 -8.043 -1.071 1.00 10.15 H new ATOM 0 HZ PHE A 79 4.981 -7.774 -0.388 1.00 50.20 H new ATOM 1244 N SER A 80 8.874 -12.678 -3.991 1.00 41.22 N ATOM 1245 CA SER A 80 10.148 -12.775 -3.314 1.00 70.51 C ATOM 1246 C SER A 80 10.606 -11.389 -2.855 1.00 0.13 C ATOM 1247 O SER A 80 10.117 -10.366 -3.354 1.00 41.12 O ATOM 1248 CB SER A 80 11.191 -13.408 -4.241 1.00 71.15 C ATOM 1249 OG SER A 80 12.409 -13.654 -3.560 1.00 31.42 O ATOM 0 H SER A 80 8.937 -12.721 -5.008 1.00 41.22 H new ATOM 0 HA SER A 80 10.036 -13.411 -2.436 1.00 70.51 H new ATOM 0 HB2 SER A 80 10.802 -14.344 -4.643 1.00 71.15 H new ATOM 0 HB3 SER A 80 11.374 -12.748 -5.089 1.00 71.15 H new ATOM 0 HG SER A 80 13.053 -14.059 -4.178 1.00 31.42 H new ATOM 1255 N ARG A 81 11.546 -11.370 -1.922 1.00 12.32 N ATOM 1256 CA ARG A 81 12.049 -10.133 -1.330 1.00 43.31 C ATOM 1257 C ARG A 81 12.723 -9.227 -2.363 1.00 20.04 C ATOM 1258 O ARG A 81 12.360 -8.056 -2.504 1.00 54.54 O ATOM 1259 CB ARG A 81 13.041 -10.453 -0.204 1.00 4.42 C ATOM 1260 CG ARG A 81 12.480 -11.363 0.876 1.00 3.41 C ATOM 1261 CD ARG A 81 13.520 -11.683 1.935 1.00 70.45 C ATOM 1262 NE ARG A 81 13.007 -12.616 2.945 1.00 12.01 N ATOM 1263 CZ ARG A 81 13.615 -12.878 4.106 1.00 42.34 C ATOM 1264 NH1 ARG A 81 14.752 -12.269 4.418 1.00 5.42 N ATOM 1265 NH2 ARG A 81 13.079 -13.750 4.953 1.00 43.12 N ATOM 0 H ARG A 81 11.985 -12.213 -1.551 1.00 12.32 H new ATOM 0 HA ARG A 81 11.189 -9.596 -0.929 1.00 43.31 H new ATOM 0 HB2 ARG A 81 13.926 -10.921 -0.636 1.00 4.42 H new ATOM 0 HB3 ARG A 81 13.367 -9.520 0.255 1.00 4.42 H new ATOM 0 HG2 ARG A 81 11.619 -10.885 1.344 1.00 3.41 H new ATOM 0 HG3 ARG A 81 12.124 -12.289 0.424 1.00 3.41 H new ATOM 0 HD2 ARG A 81 14.402 -12.113 1.459 1.00 70.45 H new ATOM 0 HD3 ARG A 81 13.838 -10.761 2.421 1.00 70.45 H new ATOM 0 HE ARG A 81 12.129 -13.096 2.748 1.00 12.01 H new ATOM 0 HH11 ARG A 81 15.165 -11.598 3.771 1.00 5.42 H new ATOM 0 HH12 ARG A 81 15.213 -12.472 5.305 1.00 5.42 H new ATOM 0 HH21 ARG A 81 12.204 -14.219 4.717 1.00 43.12 H new ATOM 0 HH22 ARG A 81 13.542 -13.951 5.839 1.00 43.12 H new ATOM 1279 N GLY A 82 13.690 -9.780 -3.088 1.00 53.13 N ATOM 1280 CA GLY A 82 14.471 -9.000 -4.041 1.00 54.45 C ATOM 1281 C GLY A 82 13.710 -8.601 -5.295 1.00 52.32 C ATOM 1282 O GLY A 82 14.038 -9.059 -6.394 1.00 23.13 O ATOM 0 H GLY A 82 13.951 -10.764 -3.034 1.00 53.13 H new ATOM 0 HA2 GLY A 82 14.831 -8.098 -3.546 1.00 54.45 H new ATOM 0 HA3 GLY A 82 15.349 -9.576 -4.331 1.00 54.45 H new ATOM 1286 N GLN A 83 12.701 -7.752 -5.132 1.00 73.53 N ATOM 1287 CA GLN A 83 11.903 -7.249 -6.253 1.00 21.21 C ATOM 1288 C GLN A 83 11.367 -5.860 -5.941 1.00 60.11 C ATOM 1289 O GLN A 83 11.448 -4.949 -6.760 1.00 63.21 O ATOM 1290 CB GLN A 83 10.711 -8.166 -6.548 1.00 55.13 C ATOM 1291 CG GLN A 83 11.067 -9.602 -6.852 1.00 12.01 C ATOM 1292 CD GLN A 83 9.855 -10.419 -7.196 1.00 52.35 C ATOM 1293 OE1 GLN A 83 9.184 -10.910 -6.190 1.00 70.30 O flip ATOM 1294 NE2 GLN A 83 9.506 -10.576 -8.359 1.00 3.21 N flip ATOM 0 H GLN A 83 12.411 -7.392 -4.223 1.00 73.53 H new ATOM 0 HA GLN A 83 12.558 -7.217 -7.123 1.00 21.21 H new ATOM 0 HB2 GLN A 83 10.038 -8.148 -5.691 1.00 55.13 H new ATOM 0 HB3 GLN A 83 10.159 -7.758 -7.395 1.00 55.13 H new ATOM 0 HG2 GLN A 83 11.773 -9.633 -7.682 1.00 12.01 H new ATOM 0 HG3 GLN A 83 11.569 -10.042 -5.990 1.00 12.01 H new ATOM 0 HE21 GLN A 83 10.060 -10.175 -9.116 1.00 3.21 H new ATOM 0 HE22 GLN A 83 8.662 -11.108 -8.571 1.00 3.21 H new ATOM 1303 N MET A 84 10.819 -5.711 -4.746 1.00 61.32 N ATOM 1304 CA MET A 84 10.195 -4.461 -4.333 1.00 45.22 C ATOM 1305 C MET A 84 11.201 -3.527 -3.677 1.00 24.31 C ATOM 1306 O MET A 84 12.363 -3.892 -3.463 1.00 61.35 O ATOM 1307 CB MET A 84 9.048 -4.746 -3.357 1.00 55.20 C ATOM 1308 CG MET A 84 7.945 -5.620 -3.931 1.00 54.41 C ATOM 1309 SD MET A 84 7.041 -4.821 -5.270 1.00 20.31 S ATOM 1310 CE MET A 84 5.936 -6.148 -5.760 1.00 65.14 C ATOM 0 H MET A 84 10.793 -6.446 -4.039 1.00 61.32 H new ATOM 0 HA MET A 84 9.807 -3.971 -5.226 1.00 45.22 H new ATOM 0 HB2 MET A 84 9.454 -5.229 -2.468 1.00 55.20 H new ATOM 0 HB3 MET A 84 8.615 -3.799 -3.035 1.00 55.20 H new ATOM 0 HG2 MET A 84 8.379 -6.550 -4.297 1.00 54.41 H new ATOM 0 HG3 MET A 84 7.248 -5.885 -3.136 1.00 54.41 H new ATOM 0 HE1 MET A 84 5.306 -5.812 -6.583 1.00 65.14 H new ATOM 0 HE2 MET A 84 6.522 -7.010 -6.080 1.00 65.14 H new ATOM 0 HE3 MET A 84 5.308 -6.430 -4.915 1.00 65.14 H new ATOM 1320 N GLN A 85 10.751 -2.319 -3.368 1.00 14.30 N ATOM 1321 CA GLN A 85 11.574 -1.345 -2.674 1.00 25.04 C ATOM 1322 C GLN A 85 11.744 -1.780 -1.230 1.00 73.52 C ATOM 1323 O GLN A 85 10.828 -2.346 -0.653 1.00 11.03 O ATOM 1324 CB GLN A 85 10.928 0.041 -2.742 1.00 53.00 C ATOM 1325 CG GLN A 85 10.768 0.570 -4.158 1.00 40.00 C ATOM 1326 CD GLN A 85 12.097 0.802 -4.841 1.00 72.43 C ATOM 1327 OE1 GLN A 85 12.652 -0.097 -5.468 1.00 1.30 O ATOM 1328 NE2 GLN A 85 12.605 2.013 -4.743 1.00 32.41 N ATOM 0 H GLN A 85 9.811 -1.990 -3.590 1.00 14.30 H new ATOM 0 HA GLN A 85 12.552 -1.287 -3.152 1.00 25.04 H new ATOM 0 HB2 GLN A 85 9.948 -0.000 -2.266 1.00 53.00 H new ATOM 0 HB3 GLN A 85 11.532 0.743 -2.167 1.00 53.00 H new ATOM 0 HG2 GLN A 85 10.181 -0.138 -4.743 1.00 40.00 H new ATOM 0 HG3 GLN A 85 10.208 1.505 -4.133 1.00 40.00 H new ATOM 0 HE21 GLN A 85 12.112 2.731 -4.213 1.00 32.41 H new ATOM 0 HE22 GLN A 85 13.491 2.233 -5.198 1.00 32.41 H new ATOM 1337 N LYS A 86 12.907 -1.507 -0.654 1.00 45.45 N ATOM 1338 CA LYS A 86 13.225 -1.941 0.718 1.00 11.33 C ATOM 1339 C LYS A 86 12.139 -1.606 1.761 1.00 4.21 C ATOM 1340 O LYS A 86 11.793 -2.472 2.568 1.00 23.01 O ATOM 1341 CB LYS A 86 14.601 -1.438 1.161 1.00 43.40 C ATOM 1342 CG LYS A 86 15.752 -2.108 0.425 1.00 43.51 C ATOM 1343 CD LYS A 86 15.748 -3.614 0.649 1.00 73.43 C ATOM 1344 CE LYS A 86 16.788 -4.306 -0.204 1.00 53.42 C ATOM 1345 NZ LYS A 86 16.703 -5.778 -0.077 1.00 0.03 N ATOM 0 H LYS A 86 13.655 -0.985 -1.110 1.00 45.45 H new ATOM 0 HA LYS A 86 13.252 -3.030 0.673 1.00 11.33 H new ATOM 0 HB2 LYS A 86 14.655 -0.361 1.002 1.00 43.40 H new ATOM 0 HB3 LYS A 86 14.715 -1.608 2.232 1.00 43.40 H new ATOM 0 HG2 LYS A 86 15.677 -1.896 -0.642 1.00 43.51 H new ATOM 0 HG3 LYS A 86 16.698 -1.689 0.767 1.00 43.51 H new ATOM 0 HD2 LYS A 86 15.939 -3.827 1.701 1.00 73.43 H new ATOM 0 HD3 LYS A 86 14.761 -4.014 0.417 1.00 73.43 H new ATOM 0 HE2 LYS A 86 16.652 -4.022 -1.247 1.00 53.42 H new ATOM 0 HE3 LYS A 86 17.783 -3.971 0.091 1.00 53.42 H new ATOM 0 HZ1 LYS A 86 17.472 -6.218 -0.621 1.00 0.03 H new ATOM 0 HZ2 LYS A 86 16.790 -6.046 0.924 1.00 0.03 H new ATOM 0 HZ3 LYS A 86 15.787 -6.106 -0.445 1.00 0.03 H new ATOM 1359 N PRO A 87 11.592 -0.359 1.790 1.00 24.31 N ATOM 1360 CA PRO A 87 10.510 -0.014 2.721 1.00 45.11 C ATOM 1361 C PRO A 87 9.325 -0.970 2.586 1.00 21.22 C ATOM 1362 O PRO A 87 8.798 -1.469 3.577 1.00 64.43 O ATOM 1363 CB PRO A 87 10.100 1.395 2.286 1.00 0.55 C ATOM 1364 CG PRO A 87 11.315 1.957 1.645 1.00 65.12 C ATOM 1365 CD PRO A 87 11.997 0.804 0.970 1.00 73.00 C ATOM 0 HA PRO A 87 10.827 -0.076 3.762 1.00 45.11 H new ATOM 0 HB2 PRO A 87 9.262 1.367 1.590 1.00 0.55 H new ATOM 0 HB3 PRO A 87 9.787 1.998 3.138 1.00 0.55 H new ATOM 0 HG2 PRO A 87 11.053 2.732 0.924 1.00 65.12 H new ATOM 0 HG3 PRO A 87 11.969 2.418 2.385 1.00 65.12 H new ATOM 0 HD2 PRO A 87 11.676 0.697 -0.066 1.00 73.00 H new ATOM 0 HD3 PRO A 87 13.080 0.929 0.956 1.00 73.00 H new ATOM 1373 N PHE A 88 8.938 -1.238 1.347 1.00 21.21 N ATOM 1374 CA PHE A 88 7.817 -2.119 1.058 1.00 14.43 C ATOM 1375 C PHE A 88 8.205 -3.576 1.324 1.00 2.35 C ATOM 1376 O PHE A 88 7.459 -4.325 1.955 1.00 30.23 O ATOM 1377 CB PHE A 88 7.387 -1.940 -0.411 1.00 50.41 C ATOM 1378 CG PHE A 88 6.111 -2.652 -0.785 1.00 72.41 C ATOM 1379 CD1 PHE A 88 6.124 -3.987 -1.160 1.00 24.35 C ATOM 1380 CD2 PHE A 88 4.900 -1.980 -0.766 1.00 72.42 C ATOM 1381 CE1 PHE A 88 4.956 -4.637 -1.505 1.00 54.31 C ATOM 1382 CE2 PHE A 88 3.727 -2.625 -1.111 1.00 74.20 C ATOM 1383 CZ PHE A 88 3.756 -3.956 -1.481 1.00 63.50 C ATOM 0 H PHE A 88 9.390 -0.853 0.518 1.00 21.21 H new ATOM 0 HA PHE A 88 6.982 -1.861 1.709 1.00 14.43 H new ATOM 0 HB2 PHE A 88 7.266 -0.876 -0.613 1.00 50.41 H new ATOM 0 HB3 PHE A 88 8.189 -2.298 -1.056 1.00 50.41 H new ATOM 0 HD1 PHE A 88 7.060 -4.525 -1.182 1.00 24.35 H new ATOM 0 HD2 PHE A 88 4.872 -0.939 -0.478 1.00 72.42 H new ATOM 0 HE1 PHE A 88 4.981 -5.677 -1.793 1.00 54.31 H new ATOM 0 HE2 PHE A 88 2.789 -2.089 -1.091 1.00 74.20 H new ATOM 0 HZ PHE A 88 2.841 -4.462 -1.751 1.00 63.50 H new ATOM 1393 N GLU A 89 9.383 -3.951 0.845 1.00 11.04 N ATOM 1394 CA GLU A 89 9.909 -5.307 0.974 1.00 42.32 C ATOM 1395 C GLU A 89 9.950 -5.757 2.428 1.00 2.11 C ATOM 1396 O GLU A 89 9.262 -6.702 2.818 1.00 34.52 O ATOM 1397 CB GLU A 89 11.327 -5.371 0.395 1.00 45.51 C ATOM 1398 CG GLU A 89 11.966 -6.746 0.479 1.00 51.50 C ATOM 1399 CD GLU A 89 13.480 -6.690 0.457 1.00 61.45 C ATOM 1400 OE1 GLU A 89 14.063 -6.443 -0.619 1.00 21.13 O ATOM 1401 OE2 GLU A 89 14.098 -6.903 1.517 1.00 63.12 O ATOM 0 H GLU A 89 10.009 -3.316 0.350 1.00 11.04 H new ATOM 0 HA GLU A 89 9.243 -5.972 0.424 1.00 42.32 H new ATOM 0 HB2 GLU A 89 11.297 -5.059 -0.649 1.00 45.51 H new ATOM 0 HB3 GLU A 89 11.957 -4.656 0.924 1.00 45.51 H new ATOM 0 HG2 GLU A 89 11.638 -7.239 1.394 1.00 51.50 H new ATOM 0 HG3 GLU A 89 11.617 -7.356 -0.354 1.00 51.50 H new ATOM 1408 N ASP A 90 10.744 -5.062 3.227 1.00 72.44 N ATOM 1409 CA ASP A 90 10.951 -5.434 4.617 1.00 73.12 C ATOM 1410 C ASP A 90 9.650 -5.431 5.401 1.00 44.10 C ATOM 1411 O ASP A 90 9.426 -6.301 6.239 1.00 61.50 O ATOM 1412 CB ASP A 90 11.968 -4.510 5.277 1.00 31.14 C ATOM 1413 CG ASP A 90 12.340 -4.967 6.668 1.00 31.32 C ATOM 1414 OD1 ASP A 90 13.153 -5.906 6.792 1.00 74.44 O ATOM 1415 OD2 ASP A 90 11.820 -4.401 7.645 1.00 24.11 O ATOM 0 H ASP A 90 11.259 -4.232 2.934 1.00 72.44 H new ATOM 0 HA ASP A 90 11.342 -6.452 4.625 1.00 73.12 H new ATOM 0 HB2 ASP A 90 12.866 -4.462 4.661 1.00 31.14 H new ATOM 0 HB3 ASP A 90 11.560 -3.500 5.326 1.00 31.14 H new ATOM 1420 N ALA A 91 8.787 -4.467 5.115 1.00 34.12 N ATOM 1421 CA ALA A 91 7.511 -4.357 5.806 1.00 3.32 C ATOM 1422 C ALA A 91 6.590 -5.528 5.466 1.00 74.44 C ATOM 1423 O ALA A 91 5.956 -6.097 6.347 1.00 50.41 O ATOM 1424 CB ALA A 91 6.838 -3.036 5.478 1.00 22.44 C ATOM 0 H ALA A 91 8.948 -3.749 4.408 1.00 34.12 H new ATOM 0 HA ALA A 91 7.709 -4.390 6.877 1.00 3.32 H new ATOM 0 HB1 ALA A 91 5.885 -2.972 6.004 1.00 22.44 H new ATOM 0 HB2 ALA A 91 7.481 -2.213 5.790 1.00 22.44 H new ATOM 0 HB3 ALA A 91 6.664 -2.973 4.404 1.00 22.44 H new ATOM 1430 N SER A 92 6.541 -5.897 4.190 1.00 24.03 N ATOM 1431 CA SER A 92 5.688 -6.996 3.739 1.00 4.21 C ATOM 1432 C SER A 92 6.069 -8.309 4.421 1.00 73.41 C ATOM 1433 O SER A 92 5.203 -9.082 4.829 1.00 20.54 O ATOM 1434 CB SER A 92 5.778 -7.155 2.220 1.00 75.10 C ATOM 1435 OG SER A 92 5.392 -5.965 1.560 1.00 14.10 O ATOM 0 H SER A 92 7.081 -5.452 3.448 1.00 24.03 H new ATOM 0 HA SER A 92 4.662 -6.752 4.013 1.00 4.21 H new ATOM 0 HB2 SER A 92 6.798 -7.416 1.938 1.00 75.10 H new ATOM 0 HB3 SER A 92 5.138 -7.977 1.899 1.00 75.10 H new ATOM 0 HG SER A 92 6.164 -5.366 1.487 1.00 14.10 H new ATOM 1441 N PHE A 93 7.364 -8.541 4.561 1.00 64.54 N ATOM 1442 CA PHE A 93 7.857 -9.766 5.171 1.00 41.12 C ATOM 1443 C PHE A 93 7.897 -9.662 6.691 1.00 2.40 C ATOM 1444 O PHE A 93 8.216 -10.629 7.380 1.00 21.23 O ATOM 1445 CB PHE A 93 9.234 -10.129 4.608 1.00 42.54 C ATOM 1446 CG PHE A 93 9.184 -10.545 3.164 1.00 24.44 C ATOM 1447 CD1 PHE A 93 9.181 -9.599 2.153 1.00 21.22 C ATOM 1448 CD2 PHE A 93 9.121 -11.880 2.821 1.00 21.31 C ATOM 1449 CE1 PHE A 93 9.119 -9.978 0.829 1.00 4.33 C ATOM 1450 CE2 PHE A 93 9.057 -12.267 1.499 1.00 2.41 C ATOM 1451 CZ PHE A 93 9.056 -11.314 0.502 1.00 53.15 C ATOM 0 H PHE A 93 8.094 -7.896 4.260 1.00 64.54 H new ATOM 0 HA PHE A 93 7.160 -10.566 4.921 1.00 41.12 H new ATOM 0 HB2 PHE A 93 9.901 -9.273 4.711 1.00 42.54 H new ATOM 0 HB3 PHE A 93 9.661 -10.939 5.200 1.00 42.54 H new ATOM 0 HD1 PHE A 93 9.228 -8.550 2.405 1.00 21.22 H new ATOM 0 HD2 PHE A 93 9.122 -12.631 3.597 1.00 21.31 H new ATOM 0 HE1 PHE A 93 9.120 -9.229 0.051 1.00 4.33 H new ATOM 0 HE2 PHE A 93 9.008 -13.315 1.245 1.00 2.41 H new ATOM 0 HZ PHE A 93 9.006 -11.615 -0.534 1.00 53.15 H new ATOM 1461 N ALA A 94 7.569 -8.492 7.210 1.00 43.00 N ATOM 1462 CA ALA A 94 7.525 -8.285 8.647 1.00 41.42 C ATOM 1463 C ALA A 94 6.134 -8.602 9.171 1.00 62.00 C ATOM 1464 O ALA A 94 5.918 -8.720 10.378 1.00 31.30 O ATOM 1465 CB ALA A 94 7.911 -6.854 8.992 1.00 71.12 C ATOM 0 H ALA A 94 7.329 -7.669 6.657 1.00 43.00 H new ATOM 0 HA ALA A 94 8.242 -8.955 9.122 1.00 41.42 H new ATOM 0 HB1 ALA A 94 7.872 -6.717 10.073 1.00 71.12 H new ATOM 0 HB2 ALA A 94 8.922 -6.654 8.637 1.00 71.12 H new ATOM 0 HB3 ALA A 94 7.215 -6.164 8.514 1.00 71.12 H new ATOM 1471 N LEU A 95 5.197 -8.747 8.251 1.00 14.43 N ATOM 1472 CA LEU A 95 3.822 -9.044 8.591 1.00 5.13 C ATOM 1473 C LEU A 95 3.612 -10.551 8.652 1.00 63.33 C ATOM 1474 O LEU A 95 3.659 -11.233 7.627 1.00 23.52 O ATOM 1475 CB LEU A 95 2.885 -8.433 7.551 1.00 35.45 C ATOM 1476 CG LEU A 95 3.101 -6.951 7.246 1.00 71.52 C ATOM 1477 CD1 LEU A 95 2.128 -6.484 6.184 1.00 23.43 C ATOM 1478 CD2 LEU A 95 2.962 -6.112 8.507 1.00 40.11 C ATOM 0 H LEU A 95 5.370 -8.662 7.249 1.00 14.43 H new ATOM 0 HA LEU A 95 3.600 -8.615 9.568 1.00 5.13 H new ATOM 0 HB2 LEU A 95 2.989 -8.994 6.622 1.00 35.45 H new ATOM 0 HB3 LEU A 95 1.858 -8.568 7.891 1.00 35.45 H new ATOM 0 HG LEU A 95 4.115 -6.824 6.867 1.00 71.52 H new ATOM 0 HD11 LEU A 95 2.294 -5.427 5.978 1.00 23.43 H new ATOM 0 HD12 LEU A 95 2.281 -7.060 5.272 1.00 23.43 H new ATOM 0 HD13 LEU A 95 1.107 -6.629 6.537 1.00 23.43 H new ATOM 0 HD21 LEU A 95 3.120 -5.061 8.264 1.00 40.11 H new ATOM 0 HD22 LEU A 95 1.963 -6.242 8.922 1.00 40.11 H new ATOM 0 HD23 LEU A 95 3.704 -6.431 9.240 1.00 40.11 H new ATOM 1490 N ARG A 96 3.397 -11.069 9.850 1.00 72.45 N ATOM 1491 CA ARG A 96 3.200 -12.503 10.027 1.00 71.22 C ATOM 1492 C ARG A 96 1.828 -12.977 9.503 1.00 70.15 C ATOM 1493 O ARG A 96 1.761 -13.723 8.531 1.00 4.20 O ATOM 1494 CB ARG A 96 3.458 -12.959 11.497 1.00 44.23 C ATOM 1495 CG ARG A 96 2.525 -12.384 12.581 1.00 22.13 C ATOM 1496 CD ARG A 96 2.756 -10.896 12.845 1.00 32.43 C ATOM 1497 NE ARG A 96 4.153 -10.605 13.167 1.00 44.41 N ATOM 1498 CZ ARG A 96 4.587 -9.473 13.736 1.00 62.22 C ATOM 1499 NH1 ARG A 96 3.733 -8.505 14.061 1.00 14.53 N ATOM 1500 NH2 ARG A 96 5.878 -9.315 13.981 1.00 25.52 N ATOM 0 H ARG A 96 3.354 -10.524 10.711 1.00 72.45 H new ATOM 0 HA ARG A 96 3.953 -12.994 9.411 1.00 71.22 H new ATOM 0 HB2 ARG A 96 3.388 -14.046 11.532 1.00 44.23 H new ATOM 0 HB3 ARG A 96 4.483 -12.697 11.758 1.00 44.23 H new ATOM 0 HG2 ARG A 96 1.489 -12.536 12.278 1.00 22.13 H new ATOM 0 HG3 ARG A 96 2.671 -12.938 13.508 1.00 22.13 H new ATOM 0 HD2 ARG A 96 2.460 -10.322 11.967 1.00 32.43 H new ATOM 0 HD3 ARG A 96 2.119 -10.571 13.668 1.00 32.43 H new ATOM 0 HE ARG A 96 4.848 -11.317 12.941 1.00 44.41 H new ATOM 0 HH11 ARG A 96 2.736 -8.621 13.877 1.00 14.53 H new ATOM 0 HH12 ARG A 96 4.075 -7.647 14.494 1.00 14.53 H new ATOM 0 HH21 ARG A 96 6.538 -10.054 13.737 1.00 25.52 H new ATOM 0 HH22 ARG A 96 6.213 -8.455 14.414 1.00 25.52 H new ATOM 1514 N THR A 97 0.746 -12.535 10.128 1.00 53.14 N ATOM 1515 CA THR A 97 -0.599 -12.929 9.717 1.00 63.23 C ATOM 1516 C THR A 97 -1.612 -11.899 10.195 1.00 54.34 C ATOM 1517 O THR A 97 -1.643 -11.564 11.380 1.00 52.25 O ATOM 1518 CB THR A 97 -0.980 -14.323 10.283 1.00 40.41 C ATOM 1519 OG1 THR A 97 -0.033 -15.303 9.837 1.00 23.43 O ATOM 1520 CG2 THR A 97 -2.377 -14.734 9.833 1.00 51.23 C ATOM 0 H THR A 97 0.771 -11.900 10.926 1.00 53.14 H new ATOM 0 HA THR A 97 -0.610 -12.984 8.628 1.00 63.23 H new ATOM 0 HB THR A 97 -0.968 -14.261 11.371 1.00 40.41 H new ATOM 0 HG1 THR A 97 -0.276 -16.181 10.198 1.00 23.43 H new ATOM 0 HG21 THR A 97 -2.618 -15.714 10.244 1.00 51.23 H new ATOM 0 HG22 THR A 97 -3.103 -14.003 10.188 1.00 51.23 H new ATOM 0 HG23 THR A 97 -2.410 -14.779 8.744 1.00 51.23 H new ATOM 1528 N GLY A 98 -2.420 -11.380 9.265 1.00 14.22 N ATOM 1529 CA GLY A 98 -3.415 -10.377 9.616 1.00 64.31 C ATOM 1530 C GLY A 98 -2.777 -9.143 10.213 1.00 64.24 C ATOM 1531 O GLY A 98 -3.343 -8.498 11.095 1.00 52.03 O ATOM 0 H GLY A 98 -2.402 -11.637 8.278 1.00 14.22 H new ATOM 0 HA2 GLY A 98 -3.982 -10.100 8.727 1.00 64.31 H new ATOM 0 HA3 GLY A 98 -4.124 -10.801 10.327 1.00 64.31 H new ATOM 1535 N GLU A 99 -1.590 -8.827 9.737 1.00 71.13 N ATOM 1536 CA GLU A 99 -0.841 -7.701 10.237 1.00 40.00 C ATOM 1537 C GLU A 99 -0.757 -6.631 9.161 1.00 75.04 C ATOM 1538 O GLU A 99 -0.648 -6.950 7.972 1.00 11.41 O ATOM 1539 CB GLU A 99 0.564 -8.157 10.642 1.00 52.31 C ATOM 1540 CG GLU A 99 1.316 -7.165 11.509 1.00 1.13 C ATOM 1541 CD GLU A 99 0.720 -7.044 12.890 1.00 72.55 C ATOM 1542 OE1 GLU A 99 1.128 -7.816 13.781 1.00 70.23 O ATOM 1543 OE2 GLU A 99 -0.158 -6.186 13.092 1.00 54.33 O ATOM 0 H GLU A 99 -1.121 -9.345 8.994 1.00 71.13 H new ATOM 0 HA GLU A 99 -1.342 -7.286 11.112 1.00 40.00 H new ATOM 0 HB2 GLU A 99 0.486 -9.103 11.177 1.00 52.31 H new ATOM 0 HB3 GLU A 99 1.146 -8.348 9.740 1.00 52.31 H new ATOM 0 HG2 GLU A 99 2.358 -7.475 11.591 1.00 1.13 H new ATOM 0 HG3 GLU A 99 1.311 -6.188 11.027 1.00 1.13 H new ATOM 1550 N MET A 100 -0.821 -5.381 9.570 1.00 15.11 N ATOM 1551 CA MET A 100 -0.760 -4.268 8.641 1.00 50.31 C ATOM 1552 C MET A 100 0.414 -3.358 8.978 1.00 13.12 C ATOM 1553 O MET A 100 0.585 -2.954 10.126 1.00 33.31 O ATOM 1554 CB MET A 100 -2.069 -3.474 8.679 1.00 20.14 C ATOM 1555 CG MET A 100 -2.119 -2.319 7.691 1.00 61.10 C ATOM 1556 SD MET A 100 -3.654 -1.374 7.787 1.00 74.43 S ATOM 1557 CE MET A 100 -4.863 -2.639 7.411 1.00 44.30 C ATOM 0 H MET A 100 -0.916 -5.107 10.548 1.00 15.11 H new ATOM 0 HA MET A 100 -0.617 -4.664 7.636 1.00 50.31 H new ATOM 0 HB2 MET A 100 -2.899 -4.150 8.474 1.00 20.14 H new ATOM 0 HB3 MET A 100 -2.217 -3.084 9.686 1.00 20.14 H new ATOM 0 HG2 MET A 100 -1.277 -1.653 7.877 1.00 61.10 H new ATOM 0 HG3 MET A 100 -2.001 -2.708 6.680 1.00 61.10 H new ATOM 0 HE1 MET A 100 -5.812 -2.170 7.153 1.00 44.30 H new ATOM 0 HE2 MET A 100 -4.514 -3.237 6.570 1.00 44.30 H new ATOM 0 HE3 MET A 100 -5.000 -3.281 8.281 1.00 44.30 H new ATOM 1567 N SER A 101 1.224 -3.052 7.978 1.00 61.24 N ATOM 1568 CA SER A 101 2.372 -2.178 8.165 1.00 34.13 C ATOM 1569 C SER A 101 1.912 -0.760 8.476 1.00 21.14 C ATOM 1570 O SER A 101 2.416 -0.111 9.393 1.00 40.44 O ATOM 1571 CB SER A 101 3.226 -2.163 6.903 1.00 11.04 C ATOM 1572 OG SER A 101 3.454 -3.471 6.426 1.00 20.35 O ATOM 0 H SER A 101 1.108 -3.397 7.025 1.00 61.24 H new ATOM 0 HA SER A 101 2.961 -2.556 9.001 1.00 34.13 H new ATOM 0 HB2 SER A 101 2.730 -1.573 6.132 1.00 11.04 H new ATOM 0 HB3 SER A 101 4.179 -1.678 7.112 1.00 11.04 H new ATOM 0 HG SER A 101 4.206 -3.870 6.912 1.00 20.35 H new ATOM 1578 N GLY A 102 0.942 -0.295 7.713 1.00 31.14 N ATOM 1579 CA GLY A 102 0.447 1.042 7.886 1.00 64.45 C ATOM 1580 C GLY A 102 1.029 1.983 6.857 1.00 51.22 C ATOM 1581 O GLY A 102 1.095 1.638 5.678 1.00 51.11 O ATOM 0 H GLY A 102 0.487 -0.827 6.971 1.00 31.14 H new ATOM 0 HA2 GLY A 102 -0.640 1.042 7.808 1.00 64.45 H new ATOM 0 HA3 GLY A 102 0.694 1.397 8.887 1.00 64.45 H new ATOM 1585 N PRO A 103 1.477 3.173 7.271 1.00 74.31 N ATOM 1586 CA PRO A 103 2.046 4.150 6.360 1.00 35.22 C ATOM 1587 C PRO A 103 3.501 3.844 5.993 1.00 32.43 C ATOM 1588 O PRO A 103 4.436 4.245 6.700 1.00 62.24 O ATOM 1589 CB PRO A 103 1.951 5.460 7.142 1.00 72.03 C ATOM 1590 CG PRO A 103 2.017 5.057 8.579 1.00 63.42 C ATOM 1591 CD PRO A 103 1.455 3.657 8.665 1.00 22.02 C ATOM 0 HA PRO A 103 1.520 4.167 5.406 1.00 35.22 H new ATOM 0 HB2 PRO A 103 2.767 6.134 6.883 1.00 72.03 H new ATOM 0 HB3 PRO A 103 1.022 5.985 6.921 1.00 72.03 H new ATOM 0 HG2 PRO A 103 3.045 5.084 8.941 1.00 63.42 H new ATOM 0 HG3 PRO A 103 1.442 5.744 9.200 1.00 63.42 H new ATOM 0 HD2 PRO A 103 2.059 3.025 9.316 1.00 22.02 H new ATOM 0 HD3 PRO A 103 0.443 3.658 9.071 1.00 22.02 H new ATOM 1599 N VAL A 104 3.690 3.098 4.920 1.00 50.54 N ATOM 1600 CA VAL A 104 5.018 2.815 4.429 1.00 71.44 C ATOM 1601 C VAL A 104 5.413 3.849 3.380 1.00 73.51 C ATOM 1602 O VAL A 104 4.963 3.791 2.229 1.00 22.52 O ATOM 1603 CB VAL A 104 5.121 1.396 3.827 1.00 72.34 C ATOM 1604 CG1 VAL A 104 6.529 1.124 3.322 1.00 45.40 C ATOM 1605 CG2 VAL A 104 4.713 0.353 4.856 1.00 23.41 C ATOM 0 H VAL A 104 2.937 2.679 4.374 1.00 50.54 H new ATOM 0 HA VAL A 104 5.701 2.866 5.277 1.00 71.44 H new ATOM 0 HB VAL A 104 4.438 1.334 2.979 1.00 72.34 H new ATOM 0 HG11 VAL A 104 6.577 0.119 2.903 1.00 45.40 H new ATOM 0 HG12 VAL A 104 6.786 1.851 2.552 1.00 45.40 H new ATOM 0 HG13 VAL A 104 7.234 1.206 4.149 1.00 45.40 H new ATOM 0 HG21 VAL A 104 4.791 -0.641 4.417 1.00 23.41 H new ATOM 0 HG22 VAL A 104 5.371 0.420 5.722 1.00 23.41 H new ATOM 0 HG23 VAL A 104 3.684 0.532 5.168 1.00 23.41 H new ATOM 1615 N PHE A 105 6.222 4.810 3.791 1.00 44.34 N ATOM 1616 CA PHE A 105 6.676 5.866 2.902 1.00 61.33 C ATOM 1617 C PHE A 105 7.617 5.298 1.855 1.00 10.21 C ATOM 1618 O PHE A 105 8.664 4.744 2.187 1.00 65.53 O ATOM 1619 CB PHE A 105 7.382 6.974 3.695 1.00 24.44 C ATOM 1620 CG PHE A 105 6.511 7.644 4.726 1.00 44.44 C ATOM 1621 CD1 PHE A 105 5.658 8.674 4.370 1.00 24.40 C ATOM 1622 CD2 PHE A 105 6.551 7.244 6.051 1.00 62.15 C ATOM 1623 CE1 PHE A 105 4.861 9.291 5.315 1.00 71.04 C ATOM 1624 CE2 PHE A 105 5.757 7.856 6.999 1.00 33.14 C ATOM 1625 CZ PHE A 105 4.911 8.880 6.631 1.00 63.02 C ATOM 0 H PHE A 105 6.581 4.881 4.743 1.00 44.34 H new ATOM 0 HA PHE A 105 5.806 6.295 2.405 1.00 61.33 H new ATOM 0 HB2 PHE A 105 8.255 6.550 4.192 1.00 24.44 H new ATOM 0 HB3 PHE A 105 7.747 7.728 2.998 1.00 24.44 H new ATOM 0 HD1 PHE A 105 5.615 8.999 3.341 1.00 24.40 H new ATOM 0 HD2 PHE A 105 7.212 6.443 6.346 1.00 62.15 H new ATOM 0 HE1 PHE A 105 4.200 10.094 5.024 1.00 71.04 H new ATOM 0 HE2 PHE A 105 5.798 7.533 8.029 1.00 33.14 H new ATOM 0 HZ PHE A 105 4.288 9.360 7.372 1.00 63.02 H new ATOM 1635 N THR A 106 7.238 5.417 0.600 1.00 64.24 N ATOM 1636 CA THR A 106 8.048 4.898 -0.478 1.00 23.52 C ATOM 1637 C THR A 106 8.384 6.022 -1.479 1.00 32.13 C ATOM 1638 O THR A 106 8.193 7.202 -1.174 1.00 31.24 O ATOM 1639 CB THR A 106 7.321 3.734 -1.186 1.00 55.50 C ATOM 1640 OG1 THR A 106 6.417 3.112 -0.259 1.00 21.13 O ATOM 1641 CG2 THR A 106 8.318 2.684 -1.663 1.00 61.14 C ATOM 0 H THR A 106 6.373 5.869 0.303 1.00 64.24 H new ATOM 0 HA THR A 106 8.981 4.515 -0.064 1.00 23.52 H new ATOM 0 HB THR A 106 6.783 4.134 -2.045 1.00 55.50 H new ATOM 0 HG1 THR A 106 5.570 2.913 -0.711 1.00 21.13 H new ATOM 0 HG21 THR A 106 7.784 1.874 -2.159 1.00 61.14 H new ATOM 0 HG22 THR A 106 9.018 3.139 -2.364 1.00 61.14 H new ATOM 0 HG23 THR A 106 8.866 2.288 -0.808 1.00 61.14 H new ATOM 1649 N ASP A 107 8.883 5.652 -2.651 1.00 24.03 N ATOM 1650 CA ASP A 107 9.308 6.617 -3.672 1.00 24.34 C ATOM 1651 C ASP A 107 8.143 7.439 -4.230 1.00 33.20 C ATOM 1652 O ASP A 107 8.061 8.652 -4.013 1.00 53.32 O ATOM 1653 CB ASP A 107 10.007 5.892 -4.830 1.00 45.14 C ATOM 1654 CG ASP A 107 11.233 5.120 -4.398 1.00 2.15 C ATOM 1655 OD1 ASP A 107 11.079 4.046 -3.785 1.00 10.54 O ATOM 1656 OD2 ASP A 107 12.361 5.577 -4.679 1.00 22.32 O ATOM 0 H ASP A 107 9.007 4.678 -2.926 1.00 24.03 H new ATOM 0 HA ASP A 107 9.997 7.304 -3.181 1.00 24.34 H new ATOM 0 HB2 ASP A 107 9.301 5.207 -5.300 1.00 45.14 H new ATOM 0 HB3 ASP A 107 10.294 6.622 -5.587 1.00 45.14 H new ATOM 1661 N SER A 108 7.244 6.773 -4.943 1.00 21.04 N ATOM 1662 CA SER A 108 6.142 7.448 -5.623 1.00 60.25 C ATOM 1663 C SER A 108 5.014 7.836 -4.670 1.00 61.41 C ATOM 1664 O SER A 108 4.265 8.779 -4.933 1.00 72.12 O ATOM 1665 CB SER A 108 5.608 6.562 -6.746 1.00 60.10 C ATOM 1666 OG SER A 108 6.665 6.144 -7.597 1.00 41.54 O ATOM 0 H SER A 108 7.255 5.761 -5.067 1.00 21.04 H new ATOM 0 HA SER A 108 6.535 8.375 -6.040 1.00 60.25 H new ATOM 0 HB2 SER A 108 5.108 5.691 -6.323 1.00 60.10 H new ATOM 0 HB3 SER A 108 4.862 7.108 -7.324 1.00 60.10 H new ATOM 0 HG SER A 108 6.932 5.231 -7.362 1.00 41.54 H new ATOM 1672 N GLY A 109 4.896 7.128 -3.571 1.00 42.32 N ATOM 1673 CA GLY A 109 3.849 7.428 -2.634 1.00 51.53 C ATOM 1674 C GLY A 109 3.891 6.537 -1.435 1.00 73.14 C ATOM 1675 O GLY A 109 4.814 5.733 -1.285 1.00 0.22 O ATOM 0 H GLY A 109 5.504 6.352 -3.310 1.00 42.32 H new ATOM 0 HA2 GLY A 109 3.936 8.467 -2.316 1.00 51.53 H new ATOM 0 HA3 GLY A 109 2.882 7.325 -3.127 1.00 51.53 H new ATOM 1679 N ILE A 110 2.902 6.666 -0.587 1.00 63.13 N ATOM 1680 CA ILE A 110 2.818 5.862 0.606 1.00 35.05 C ATOM 1681 C ILE A 110 2.017 4.607 0.310 1.00 22.31 C ATOM 1682 O ILE A 110 0.949 4.674 -0.304 1.00 64.11 O ATOM 1683 CB ILE A 110 2.154 6.642 1.762 1.00 62.34 C ATOM 1684 CG1 ILE A 110 2.846 7.996 1.950 1.00 14.10 C ATOM 1685 CG2 ILE A 110 2.212 5.830 3.052 1.00 42.51 C ATOM 1686 CD1 ILE A 110 2.190 8.879 2.988 1.00 35.30 C ATOM 0 H ILE A 110 2.135 7.329 -0.703 1.00 63.13 H new ATOM 0 HA ILE A 110 3.829 5.596 0.915 1.00 35.05 H new ATOM 0 HB ILE A 110 1.108 6.817 1.512 1.00 62.34 H new ATOM 0 HG12 ILE A 110 3.884 7.826 2.235 1.00 14.10 H new ATOM 0 HG13 ILE A 110 2.859 8.522 0.995 1.00 14.10 H new ATOM 0 HG21 ILE A 110 1.740 6.393 3.858 1.00 42.51 H new ATOM 0 HG22 ILE A 110 1.685 4.886 2.912 1.00 42.51 H new ATOM 0 HG23 ILE A 110 3.252 5.630 3.310 1.00 42.51 H new ATOM 0 HD11 ILE A 110 2.737 9.819 3.064 1.00 35.30 H new ATOM 0 HD12 ILE A 110 1.160 9.081 2.695 1.00 35.30 H new ATOM 0 HD13 ILE A 110 2.200 8.374 3.954 1.00 35.30 H new ATOM 1698 N HIS A 111 2.540 3.470 0.711 1.00 31.11 N ATOM 1699 CA HIS A 111 1.876 2.205 0.464 1.00 21.32 C ATOM 1700 C HIS A 111 1.488 1.545 1.771 1.00 62.43 C ATOM 1701 O HIS A 111 2.301 1.445 2.684 1.00 41.12 O ATOM 1702 CB HIS A 111 2.785 1.241 -0.326 1.00 3.41 C ATOM 1703 CG HIS A 111 3.208 1.721 -1.688 1.00 4.42 C ATOM 1704 ND1 HIS A 111 4.055 2.707 -2.055 1.00 63.23 N flip ATOM 1705 CD2 HIS A 111 2.792 1.128 -2.865 1.00 64.11 C flip ATOM 1706 CE1 HIS A 111 4.140 2.689 -3.423 1.00 74.54 C flip ATOM 1707 NE2 HIS A 111 3.372 1.728 -3.886 1.00 33.34 N flip ATOM 0 H HIS A 111 3.426 3.393 1.211 1.00 31.11 H new ATOM 0 HA HIS A 111 0.983 2.417 -0.124 1.00 21.32 H new ATOM 0 HB2 HIS A 111 3.680 1.046 0.265 1.00 3.41 H new ATOM 0 HB3 HIS A 111 2.265 0.290 -0.440 1.00 3.41 H new ATOM 0 HD2 HIS A 111 2.100 0.302 -2.937 1.00 64.11 H new ATOM 0 HE1 HIS A 111 4.741 3.356 -4.023 1.00 74.54 H new ATOM 0 HE2 HIS A 111 3.246 1.487 -4.869 1.00 33.34 H new ATOM 1716 N ILE A 112 0.249 1.118 1.871 1.00 45.12 N ATOM 1717 CA ILE A 112 -0.184 0.363 3.028 1.00 71.41 C ATOM 1718 C ILE A 112 -0.111 -1.107 2.683 1.00 55.33 C ATOM 1719 O ILE A 112 -0.578 -1.520 1.621 1.00 64.12 O ATOM 1720 CB ILE A 112 -1.625 0.708 3.474 1.00 22.01 C ATOM 1721 CG1 ILE A 112 -1.788 2.217 3.663 1.00 33.20 C ATOM 1722 CG2 ILE A 112 -1.965 -0.027 4.768 1.00 24.31 C ATOM 1723 CD1 ILE A 112 -3.136 2.618 4.235 1.00 75.12 C ATOM 0 H ILE A 112 -0.474 1.279 1.170 1.00 45.12 H new ATOM 0 HA ILE A 112 0.473 0.619 3.859 1.00 71.41 H new ATOM 0 HB ILE A 112 -2.313 0.385 2.693 1.00 22.01 H new ATOM 0 HG12 ILE A 112 -1.001 2.579 4.324 1.00 33.20 H new ATOM 0 HG13 ILE A 112 -1.649 2.712 2.702 1.00 33.20 H new ATOM 0 HG21 ILE A 112 -2.981 0.223 5.072 1.00 24.31 H new ATOM 0 HG22 ILE A 112 -1.889 -1.102 4.606 1.00 24.31 H new ATOM 0 HG23 ILE A 112 -1.268 0.272 5.550 1.00 24.31 H new ATOM 0 HD11 ILE A 112 -3.178 3.702 4.341 1.00 75.12 H new ATOM 0 HD12 ILE A 112 -3.929 2.288 3.564 1.00 75.12 H new ATOM 0 HD13 ILE A 112 -3.270 2.153 5.211 1.00 75.12 H new ATOM 1735 N ILE A 113 0.494 -1.886 3.549 1.00 14.10 N ATOM 1736 CA ILE A 113 0.668 -3.300 3.291 1.00 75.30 C ATOM 1737 C ILE A 113 -0.075 -4.131 4.324 1.00 23.13 C ATOM 1738 O ILE A 113 -0.055 -3.817 5.518 1.00 41.54 O ATOM 1739 CB ILE A 113 2.163 -3.684 3.319 1.00 51.42 C ATOM 1740 CG1 ILE A 113 2.983 -2.688 2.499 1.00 2.24 C ATOM 1741 CG2 ILE A 113 2.357 -5.097 2.783 1.00 31.15 C ATOM 1742 CD1 ILE A 113 4.473 -2.873 2.635 1.00 64.34 C ATOM 0 H ILE A 113 0.875 -1.566 4.440 1.00 14.10 H new ATOM 0 HA ILE A 113 0.262 -3.505 2.300 1.00 75.30 H new ATOM 0 HB ILE A 113 2.510 -3.653 4.352 1.00 51.42 H new ATOM 0 HG12 ILE A 113 2.708 -2.783 1.448 1.00 2.24 H new ATOM 0 HG13 ILE A 113 2.722 -1.675 2.807 1.00 2.24 H new ATOM 0 HG21 ILE A 113 3.416 -5.354 2.809 1.00 31.15 H new ATOM 0 HG22 ILE A 113 1.798 -5.800 3.400 1.00 31.15 H new ATOM 0 HG23 ILE A 113 1.996 -5.149 1.756 1.00 31.15 H new ATOM 0 HD11 ILE A 113 4.989 -2.131 2.025 1.00 64.34 H new ATOM 0 HD12 ILE A 113 4.761 -2.749 3.679 1.00 64.34 H new ATOM 0 HD13 ILE A 113 4.748 -3.873 2.299 1.00 64.34 H new ATOM 1754 N LEU A 114 -0.729 -5.176 3.861 1.00 11.22 N ATOM 1755 CA LEU A 114 -1.445 -6.089 4.730 1.00 10.50 C ATOM 1756 C LEU A 114 -1.085 -7.518 4.359 1.00 64.04 C ATOM 1757 O LEU A 114 -1.020 -7.852 3.178 1.00 12.50 O ATOM 1758 CB LEU A 114 -2.960 -5.881 4.586 1.00 34.41 C ATOM 1759 CG LEU A 114 -3.851 -6.824 5.404 1.00 63.41 C ATOM 1760 CD1 LEU A 114 -3.724 -6.539 6.892 1.00 22.13 C ATOM 1761 CD2 LEU A 114 -5.298 -6.714 4.958 1.00 15.43 C ATOM 0 H LEU A 114 -0.780 -5.417 2.871 1.00 11.22 H new ATOM 0 HA LEU A 114 -1.163 -5.896 5.765 1.00 10.50 H new ATOM 0 HB2 LEU A 114 -3.194 -4.855 4.870 1.00 34.41 H new ATOM 0 HB3 LEU A 114 -3.223 -5.988 3.533 1.00 34.41 H new ATOM 0 HG LEU A 114 -3.514 -7.845 5.227 1.00 63.41 H new ATOM 0 HD11 LEU A 114 -4.366 -7.221 7.449 1.00 22.13 H new ATOM 0 HD12 LEU A 114 -2.689 -6.680 7.202 1.00 22.13 H new ATOM 0 HD13 LEU A 114 -4.026 -5.511 7.093 1.00 22.13 H new ATOM 0 HD21 LEU A 114 -5.914 -7.391 5.550 1.00 15.43 H new ATOM 0 HD22 LEU A 114 -5.645 -5.690 5.099 1.00 15.43 H new ATOM 0 HD23 LEU A 114 -5.375 -6.982 3.904 1.00 15.43 H new ATOM 1773 N ARG A 115 -0.845 -8.356 5.358 1.00 22.42 N ATOM 1774 CA ARG A 115 -0.509 -9.750 5.099 1.00 23.45 C ATOM 1775 C ARG A 115 -1.753 -10.520 4.694 1.00 74.21 C ATOM 1776 O ARG A 115 -2.617 -10.814 5.529 1.00 61.33 O ATOM 1777 CB ARG A 115 0.140 -10.406 6.320 1.00 24.42 C ATOM 1778 CG ARG A 115 0.581 -11.846 6.077 1.00 22.43 C ATOM 1779 CD ARG A 115 1.757 -11.922 5.107 1.00 14.00 C ATOM 1780 NE ARG A 115 2.035 -13.299 4.696 1.00 30.51 N ATOM 1781 CZ ARG A 115 3.007 -14.069 5.193 1.00 24.51 C ATOM 1782 NH1 ARG A 115 3.827 -13.610 6.138 1.00 44.31 N ATOM 1783 NH2 ARG A 115 3.147 -15.308 4.748 1.00 20.33 N ATOM 0 H ARG A 115 -0.876 -8.100 6.345 1.00 22.42 H new ATOM 0 HA ARG A 115 0.212 -9.774 4.282 1.00 23.45 H new ATOM 0 HB2 ARG A 115 1.005 -9.816 6.622 1.00 24.42 H new ATOM 0 HB3 ARG A 115 -0.565 -10.386 7.151 1.00 24.42 H new ATOM 0 HG2 ARG A 115 0.861 -12.305 7.025 1.00 22.43 H new ATOM 0 HG3 ARG A 115 -0.256 -12.420 5.680 1.00 22.43 H new ATOM 0 HD2 ARG A 115 1.542 -11.316 4.227 1.00 14.00 H new ATOM 0 HD3 ARG A 115 2.644 -11.497 5.577 1.00 14.00 H new ATOM 0 HE ARG A 115 1.439 -13.703 3.973 1.00 30.51 H new ATOM 0 HH11 ARG A 115 3.717 -12.659 6.491 1.00 44.31 H new ATOM 0 HH12 ARG A 115 4.565 -14.209 6.508 1.00 44.31 H new ATOM 0 HH21 ARG A 115 2.516 -15.667 4.032 1.00 20.33 H new ATOM 0 HH22 ARG A 115 3.886 -15.904 5.121 1.00 20.33 H new ATOM 1797 N THR A 116 -1.844 -10.830 3.424 1.00 53.05 N ATOM 1798 CA THR A 116 -2.983 -11.529 2.882 1.00 23.21 C ATOM 1799 C THR A 116 -2.874 -13.033 3.132 1.00 72.23 C ATOM 1800 O THR A 116 -3.848 -13.677 3.533 1.00 1.04 O ATOM 1801 CB THR A 116 -3.092 -11.265 1.375 1.00 40.23 C ATOM 1802 OG1 THR A 116 -2.868 -9.870 1.129 1.00 1.12 O ATOM 1803 CG2 THR A 116 -4.464 -11.661 0.851 1.00 62.21 C ATOM 0 H THR A 116 -1.127 -10.604 2.735 1.00 53.05 H new ATOM 0 HA THR A 116 -3.877 -11.159 3.384 1.00 23.21 H new ATOM 0 HB THR A 116 -2.343 -11.865 0.857 1.00 40.23 H new ATOM 0 HG1 THR A 116 -3.414 -9.580 0.369 1.00 1.12 H new ATOM 0 HG21 THR A 116 -4.515 -11.464 -0.220 1.00 62.21 H new ATOM 0 HG22 THR A 116 -4.630 -12.723 1.033 1.00 62.21 H new ATOM 0 HG23 THR A 116 -5.231 -11.081 1.364 1.00 62.21 H new ATOM 1811 N GLU A 117 -1.688 -13.584 2.904 1.00 24.32 N ATOM 1812 CA GLU A 117 -1.465 -15.003 3.083 1.00 71.35 C ATOM 1813 C GLU A 117 0.005 -15.275 3.368 1.00 74.11 C ATOM 1814 O GLU A 117 0.303 -15.929 4.385 1.00 0.00 O ATOM 1815 CB GLU A 117 -1.929 -15.773 1.846 1.00 30.13 C ATOM 1816 CG GLU A 117 -1.980 -17.275 2.034 1.00 2.24 C ATOM 1817 CD GLU A 117 -2.607 -17.975 0.855 1.00 13.23 C ATOM 1818 OE1 GLU A 117 -3.843 -17.914 0.715 1.00 21.32 O ATOM 1819 OE2 GLU A 117 -1.868 -18.587 0.055 1.00 12.11 O ATOM 1820 OXT GLU A 117 0.862 -14.786 2.601 1.00 0.00 O ATOM 0 H GLU A 117 -0.867 -13.063 2.594 1.00 24.32 H new ATOM 0 HA GLU A 117 -2.048 -15.345 3.938 1.00 71.35 H new ATOM 0 HB2 GLU A 117 -2.920 -15.420 1.562 1.00 30.13 H new ATOM 0 HB3 GLU A 117 -1.260 -15.544 1.017 1.00 30.13 H new ATOM 0 HG2 GLU A 117 -0.970 -17.655 2.185 1.00 2.24 H new ATOM 0 HG3 GLU A 117 -2.546 -17.508 2.936 1.00 2.24 H new TER 1827 GLU A 117