USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 826 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 32 GLN : amide:sc= 0.385 K(o=1,f=-0.0057) USER MOD Set 1.2: A 48 TYR OH : rot 156:sc= 0.631 USER MOD Set 2.1: A 7 SER OG : rot -76:sc= 0.417 USER MOD Set 2.2: A 9 GLN : amide:sc= -0.277 K(o=0.14,f=-0.67) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0895 (180deg=-0.478) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0664) USER MOD Single : A 3 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.188 (180deg=-0.662) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0609 F(o=-0.71,f=-0.061) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0222) USER MOD Single : A 19 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.021) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0224 (180deg=-0.273) USER MOD Single : A 33 SER OG : rot -34:sc= 0.902 USER MOD Single : A 34 SER OG : rot 55:sc= 1.15 USER MOD Single : A 41 ASN : amide:sc= -0.575 K(o=-0.57,f=-8.9!) USER MOD Single : A 44 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.56) USER MOD Single : A 47 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.1!) USER MOD Single : A 50 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.024) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.871 K(o=0.87,f=-1.5!) USER MOD Single : A 58 SER OG : rot 85:sc= 0.0434 USER MOD Single : A 61 TYR OH : rot 15:sc= 0.0484 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0307 (180deg=-0.266) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.156 USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 0.963 (180deg=0.0902) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 26:sc= 0.39! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -118:sc= 0.987 (180deg=0.156) USER MOD Single : A 100 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.2) USER MOD Single : A 101 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.7) USER MOD Single : A 102 HIS : no HE2:sc= -0.616 K(o=-0.62,f=-2) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0631 K(o=-0.063,f=-0.59) USER MOD Single : A 105 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.386 -6.345 39.019 1.00 21.14 N ATOM 2 CA MET A 1 24.934 -6.689 39.062 1.00 42.21 C ATOM 3 C MET A 1 24.133 -5.870 38.039 1.00 64.34 C ATOM 4 O MET A 1 23.221 -6.386 37.391 1.00 4.02 O ATOM 5 CB MET A 1 24.372 -6.433 40.468 1.00 23.33 C ATOM 6 CG MET A 1 22.914 -6.842 40.629 1.00 52.55 C ATOM 7 SD MET A 1 22.229 -6.385 42.236 1.00 50.43 S ATOM 8 CE MET A 1 23.327 -7.267 43.348 1.00 74.34 C ATOM 0 H1 MET A 1 26.919 -7.016 39.607 1.00 21.14 H new ATOM 0 H2 MET A 1 26.726 -6.398 38.038 1.00 21.14 H new ATOM 0 H3 MET A 1 26.525 -5.380 39.382 1.00 21.14 H new ATOM 0 HA MET A 1 24.837 -7.745 38.811 1.00 42.21 H new ATOM 0 HB2 MET A 1 24.975 -6.977 41.195 1.00 23.33 H new ATOM 0 HB3 MET A 1 24.471 -5.373 40.701 1.00 23.33 H new ATOM 0 HG2 MET A 1 22.322 -6.376 39.842 1.00 52.55 H new ATOM 0 HG3 MET A 1 22.828 -7.920 40.496 1.00 52.55 H new ATOM 0 HE1 MET A 1 22.884 -7.304 44.343 1.00 74.34 H new ATOM 0 HE2 MET A 1 23.479 -8.282 42.980 1.00 74.34 H new ATOM 0 HE3 MET A 1 24.286 -6.751 43.397 1.00 74.34 H new ATOM 20 N ASP A 2 24.479 -4.593 37.908 1.00 52.22 N ATOM 21 CA ASP A 2 23.769 -3.667 37.014 1.00 33.51 C ATOM 22 C ASP A 2 23.960 -4.030 35.526 1.00 51.34 C ATOM 23 O ASP A 2 25.057 -4.408 35.100 1.00 4.14 O ATOM 24 CB ASP A 2 24.253 -2.236 37.276 1.00 13.10 C ATOM 25 CG ASP A 2 25.756 -2.100 37.104 1.00 63.15 C ATOM 26 OD1 ASP A 2 26.509 -2.781 37.828 1.00 54.41 O ATOM 27 OD2 ASP A 2 26.197 -1.318 36.245 1.00 41.24 O ATOM 0 H ASP A 2 25.255 -4.166 38.414 1.00 52.22 H new ATOM 0 HA ASP A 2 22.703 -3.746 37.228 1.00 33.51 H new ATOM 0 HB2 ASP A 2 23.747 -1.552 36.594 1.00 13.10 H new ATOM 0 HB3 ASP A 2 23.976 -1.940 38.288 1.00 13.10 H new ATOM 32 N GLN A 3 22.889 -3.907 34.740 1.00 74.14 N ATOM 33 CA GLN A 3 22.945 -4.201 33.303 1.00 71.51 C ATOM 34 C GLN A 3 23.737 -3.126 32.532 1.00 1.14 C ATOM 35 O GLN A 3 23.196 -2.116 32.090 1.00 64.13 O ATOM 36 CB GLN A 3 21.520 -4.390 32.726 1.00 14.42 C ATOM 37 CG GLN A 3 20.510 -3.291 33.087 1.00 44.25 C ATOM 38 CD GLN A 3 20.395 -2.188 32.044 1.00 45.33 C ATOM 39 OE1 GLN A 3 20.600 -2.407 30.854 1.00 4.51 O ATOM 40 NE2 GLN A 3 20.061 -0.992 32.480 1.00 24.01 N ATOM 0 H GLN A 3 21.972 -3.606 35.072 1.00 74.14 H new ATOM 0 HA GLN A 3 23.483 -5.140 33.174 1.00 71.51 H new ATOM 0 HB2 GLN A 3 21.592 -4.451 31.640 1.00 14.42 H new ATOM 0 HB3 GLN A 3 21.130 -5.346 33.074 1.00 14.42 H new ATOM 0 HG2 GLN A 3 19.530 -3.746 33.230 1.00 44.25 H new ATOM 0 HG3 GLN A 3 20.797 -2.847 34.040 1.00 44.25 H new ATOM 0 HE21 GLN A 3 19.897 -0.839 33.475 1.00 24.01 H new ATOM 0 HE22 GLN A 3 19.966 -0.218 31.823 1.00 24.01 H new ATOM 49 N LYS A 4 25.043 -3.343 32.405 1.00 45.11 N ATOM 50 CA LYS A 4 25.917 -2.418 31.668 1.00 63.14 C ATOM 51 C LYS A 4 25.905 -2.700 30.158 1.00 53.42 C ATOM 52 O LYS A 4 26.955 -2.863 29.533 1.00 70.22 O ATOM 53 CB LYS A 4 27.353 -2.492 32.216 1.00 63.40 C ATOM 54 CG LYS A 4 27.565 -1.691 33.499 1.00 74.30 C ATOM 55 CD LYS A 4 28.988 -1.830 34.036 1.00 3.52 C ATOM 56 CE LYS A 4 29.235 -3.208 34.639 1.00 63.12 C ATOM 57 NZ LYS A 4 28.464 -3.409 35.895 1.00 15.21 N ATOM 0 H LYS A 4 25.525 -4.150 32.801 1.00 45.11 H new ATOM 0 HA LYS A 4 25.529 -1.410 31.815 1.00 63.14 H new ATOM 0 HB2 LYS A 4 27.607 -3.535 32.404 1.00 63.40 H new ATOM 0 HB3 LYS A 4 28.042 -2.128 31.454 1.00 63.40 H new ATOM 0 HG2 LYS A 4 27.351 -0.639 33.308 1.00 74.30 H new ATOM 0 HG3 LYS A 4 26.858 -2.028 34.257 1.00 74.30 H new ATOM 0 HD2 LYS A 4 29.699 -1.654 33.229 1.00 3.52 H new ATOM 0 HD3 LYS A 4 29.167 -1.065 34.792 1.00 3.52 H new ATOM 0 HE2 LYS A 4 28.958 -3.976 33.916 1.00 63.12 H new ATOM 0 HE3 LYS A 4 30.299 -3.330 34.842 1.00 63.12 H new ATOM 0 HZ1 LYS A 4 28.992 -4.043 36.529 1.00 15.21 H new ATOM 0 HZ2 LYS A 4 28.320 -2.492 36.364 1.00 15.21 H new ATOM 0 HZ3 LYS A 4 27.541 -3.833 35.672 1.00 15.21 H new ATOM 71 N SER A 5 24.712 -2.752 29.572 1.00 52.30 N ATOM 72 CA SER A 5 24.571 -2.940 28.124 1.00 54.13 C ATOM 73 C SER A 5 24.914 -1.650 27.373 1.00 61.35 C ATOM 74 O SER A 5 24.074 -0.762 27.224 1.00 12.15 O ATOM 75 CB SER A 5 23.146 -3.394 27.772 1.00 12.54 C ATOM 76 OG SER A 5 22.860 -4.662 28.341 1.00 52.24 O ATOM 0 H SER A 5 23.828 -2.667 30.073 1.00 52.30 H new ATOM 0 HA SER A 5 25.270 -3.717 27.816 1.00 54.13 H new ATOM 0 HB2 SER A 5 22.427 -2.659 28.133 1.00 12.54 H new ATOM 0 HB3 SER A 5 23.034 -3.444 26.689 1.00 12.54 H new ATOM 0 HG SER A 5 21.947 -4.928 28.104 1.00 52.24 H new ATOM 82 N SER A 6 26.165 -1.540 26.930 1.00 43.22 N ATOM 83 CA SER A 6 26.645 -0.332 26.242 1.00 61.12 C ATOM 84 C SER A 6 27.478 -0.690 25.004 1.00 72.03 C ATOM 85 O SER A 6 28.448 -1.444 25.094 1.00 74.41 O ATOM 86 CB SER A 6 27.495 0.525 27.197 1.00 2.54 C ATOM 87 OG SER A 6 26.787 0.831 28.392 1.00 53.02 O ATOM 0 H SER A 6 26.869 -2.271 27.033 1.00 43.22 H new ATOM 0 HA SER A 6 25.770 0.234 25.922 1.00 61.12 H new ATOM 0 HB2 SER A 6 28.414 -0.006 27.443 1.00 2.54 H new ATOM 0 HB3 SER A 6 27.785 1.449 26.698 1.00 2.54 H new ATOM 0 HG SER A 6 27.354 1.375 28.978 1.00 53.02 H new ATOM 93 N SER A 7 27.107 -0.143 23.850 1.00 31.45 N ATOM 94 CA SER A 7 27.843 -0.395 22.602 1.00 11.15 C ATOM 95 C SER A 7 28.200 0.921 21.893 1.00 71.54 C ATOM 96 O SER A 7 27.392 1.478 21.147 1.00 23.44 O ATOM 97 CB SER A 7 27.028 -1.291 21.659 1.00 13.01 C ATOM 98 OG SER A 7 27.751 -1.586 20.471 1.00 13.51 O ATOM 0 H SER A 7 26.304 0.477 23.747 1.00 31.45 H new ATOM 0 HA SER A 7 28.768 -0.909 22.865 1.00 11.15 H new ATOM 0 HB2 SER A 7 26.769 -2.219 22.169 1.00 13.01 H new ATOM 0 HB3 SER A 7 26.091 -0.796 21.403 1.00 13.01 H new ATOM 0 HG SER A 7 27.745 -0.803 19.881 1.00 13.51 H new ATOM 104 N PRO A 8 29.408 1.457 22.151 1.00 64.03 N ATOM 105 CA PRO A 8 29.882 2.690 21.510 1.00 34.55 C ATOM 106 C PRO A 8 30.544 2.454 20.140 1.00 12.12 C ATOM 107 O PRO A 8 31.656 1.921 20.054 1.00 65.34 O ATOM 108 CB PRO A 8 30.908 3.212 22.518 1.00 0.22 C ATOM 109 CG PRO A 8 31.483 1.981 23.144 1.00 12.40 C ATOM 110 CD PRO A 8 30.397 0.926 23.112 1.00 5.42 C ATOM 0 HA PRO A 8 29.063 3.376 21.294 1.00 34.55 H new ATOM 0 HB2 PRO A 8 31.680 3.804 22.027 1.00 0.22 H new ATOM 0 HB3 PRO A 8 30.440 3.854 23.264 1.00 0.22 H new ATOM 0 HG2 PRO A 8 32.364 1.645 22.598 1.00 12.40 H new ATOM 0 HG3 PRO A 8 31.799 2.180 24.168 1.00 12.40 H new ATOM 0 HD2 PRO A 8 30.788 -0.039 22.790 1.00 5.42 H new ATOM 0 HD3 PRO A 8 29.956 0.778 24.098 1.00 5.42 H new ATOM 118 N GLN A 9 29.857 2.831 19.066 1.00 43.22 N ATOM 119 CA GLN A 9 30.452 2.788 17.728 1.00 41.23 C ATOM 120 C GLN A 9 31.561 3.845 17.607 1.00 73.51 C ATOM 121 O GLN A 9 31.412 4.966 18.104 1.00 10.14 O ATOM 122 CB GLN A 9 29.382 3.018 16.643 1.00 22.40 C ATOM 123 CG GLN A 9 28.439 1.836 16.411 1.00 62.33 C ATOM 124 CD GLN A 9 27.639 1.444 17.643 1.00 14.33 C ATOM 125 OE1 GLN A 9 28.053 0.597 18.426 1.00 64.11 O ATOM 126 NE2 GLN A 9 26.493 2.065 17.832 1.00 13.01 N ATOM 0 H GLN A 9 28.895 3.168 19.092 1.00 43.22 H new ATOM 0 HA GLN A 9 30.885 1.799 17.579 1.00 41.23 H new ATOM 0 HB2 GLN A 9 28.788 3.890 16.917 1.00 22.40 H new ATOM 0 HB3 GLN A 9 29.882 3.255 15.704 1.00 22.40 H new ATOM 0 HG2 GLN A 9 27.749 2.085 15.605 1.00 62.33 H new ATOM 0 HG3 GLN A 9 29.022 0.977 16.078 1.00 62.33 H new ATOM 0 HE21 GLN A 9 26.176 2.765 17.162 1.00 13.01 H new ATOM 0 HE22 GLN A 9 25.923 1.846 18.649 1.00 13.01 H new ATOM 135 N PRO A 10 32.696 3.506 16.960 1.00 24.31 N ATOM 136 CA PRO A 10 33.842 4.427 16.829 1.00 24.55 C ATOM 137 C PRO A 10 33.454 5.786 16.219 1.00 61.22 C ATOM 138 O PRO A 10 32.581 5.864 15.353 1.00 24.12 O ATOM 139 CB PRO A 10 34.821 3.666 15.913 1.00 10.14 C ATOM 140 CG PRO A 10 34.012 2.574 15.292 1.00 24.33 C ATOM 141 CD PRO A 10 32.960 2.216 16.303 1.00 1.14 C ATOM 0 HA PRO A 10 34.266 4.680 17.801 1.00 24.55 H new ATOM 0 HB2 PRO A 10 35.241 4.325 15.153 1.00 10.14 H new ATOM 0 HB3 PRO A 10 35.658 3.261 16.482 1.00 10.14 H new ATOM 0 HG2 PRO A 10 33.559 2.906 14.358 1.00 24.33 H new ATOM 0 HG3 PRO A 10 34.636 1.712 15.055 1.00 24.33 H new ATOM 0 HD2 PRO A 10 32.065 1.811 15.831 1.00 1.14 H new ATOM 0 HD3 PRO A 10 33.315 1.466 17.010 1.00 1.14 H new ATOM 149 N ALA A 11 34.101 6.853 16.696 1.00 34.23 N ATOM 150 CA ALA A 11 33.825 8.219 16.231 1.00 13.02 C ATOM 151 C ALA A 11 33.868 8.342 14.694 1.00 31.51 C ATOM 152 O ALA A 11 34.930 8.542 14.099 1.00 71.11 O ATOM 153 CB ALA A 11 34.805 9.198 16.872 1.00 65.42 C ATOM 0 H ALA A 11 34.827 6.798 17.411 1.00 34.23 H new ATOM 0 HA ALA A 11 32.809 8.466 16.539 1.00 13.02 H new ATOM 0 HB1 ALA A 11 34.592 10.208 16.521 1.00 65.42 H new ATOM 0 HB2 ALA A 11 34.700 9.161 17.956 1.00 65.42 H new ATOM 0 HB3 ALA A 11 35.824 8.925 16.597 1.00 65.42 H new ATOM 159 N ALA A 12 32.703 8.211 14.065 1.00 23.54 N ATOM 160 CA ALA A 12 32.580 8.296 12.605 1.00 11.15 C ATOM 161 C ALA A 12 31.512 9.323 12.190 1.00 65.05 C ATOM 162 O ALA A 12 30.872 9.951 13.039 1.00 71.14 O ATOM 163 CB ALA A 12 32.251 6.919 12.033 1.00 34.32 C ATOM 0 H ALA A 12 31.819 8.044 14.546 1.00 23.54 H new ATOM 0 HA ALA A 12 33.534 8.634 12.200 1.00 11.15 H new ATOM 0 HB1 ALA A 12 32.161 6.987 10.949 1.00 34.32 H new ATOM 0 HB2 ALA A 12 33.047 6.220 12.287 1.00 34.32 H new ATOM 0 HB3 ALA A 12 31.310 6.566 12.454 1.00 34.32 H new ATOM 169 N GLN A 13 31.318 9.488 10.883 1.00 4.54 N ATOM 170 CA GLN A 13 30.346 10.456 10.354 1.00 62.32 C ATOM 171 C GLN A 13 28.969 9.814 10.119 1.00 12.44 C ATOM 172 O GLN A 13 28.854 8.598 9.954 1.00 22.02 O ATOM 173 CB GLN A 13 30.873 11.074 9.050 1.00 44.40 C ATOM 174 CG GLN A 13 32.213 11.782 9.214 1.00 41.32 C ATOM 175 CD GLN A 13 32.160 12.955 10.185 1.00 20.21 C ATOM 176 OE1 GLN A 13 31.049 13.669 10.216 1.00 64.15 O flip ATOM 177 NE2 GLN A 13 33.122 13.229 10.893 1.00 1.22 N flip ATOM 0 H GLN A 13 31.820 8.965 10.166 1.00 4.54 H new ATOM 0 HA GLN A 13 30.220 11.240 11.101 1.00 62.32 H new ATOM 0 HB2 GLN A 13 30.974 10.290 8.300 1.00 44.40 H new ATOM 0 HB3 GLN A 13 30.139 11.785 8.671 1.00 44.40 H new ATOM 0 HG2 GLN A 13 32.955 11.064 9.563 1.00 41.32 H new ATOM 0 HG3 GLN A 13 32.548 12.140 8.241 1.00 41.32 H new ATOM 0 HE21 GLN A 13 33.967 12.660 10.848 1.00 1.22 H new ATOM 0 HE22 GLN A 13 33.078 14.026 11.527 1.00 1.22 H new ATOM 186 N ALA A 14 27.927 10.639 10.126 1.00 13.12 N ATOM 187 CA ALA A 14 26.556 10.166 9.914 1.00 20.14 C ATOM 188 C ALA A 14 26.281 9.842 8.432 1.00 45.50 C ATOM 189 O ALA A 14 26.876 10.446 7.534 1.00 15.31 O ATOM 190 CB ALA A 14 25.566 11.210 10.419 1.00 72.25 C ATOM 0 H ALA A 14 28.003 11.645 10.277 1.00 13.12 H new ATOM 0 HA ALA A 14 26.431 9.241 10.477 1.00 20.14 H new ATOM 0 HB1 ALA A 14 24.548 10.854 10.259 1.00 72.25 H new ATOM 0 HB2 ALA A 14 25.728 11.380 11.483 1.00 72.25 H new ATOM 0 HB3 ALA A 14 25.713 12.144 9.876 1.00 72.25 H new ATOM 196 N PRO A 15 25.373 8.879 8.157 1.00 45.12 N ATOM 197 CA PRO A 15 25.008 8.487 6.779 1.00 23.34 C ATOM 198 C PRO A 15 24.367 9.623 5.958 1.00 50.13 C ATOM 199 O PRO A 15 24.249 10.762 6.417 1.00 72.42 O ATOM 200 CB PRO A 15 23.993 7.346 6.989 1.00 24.01 C ATOM 201 CG PRO A 15 24.239 6.861 8.377 1.00 44.14 C ATOM 202 CD PRO A 15 24.645 8.075 9.161 1.00 61.02 C ATOM 0 HA PRO A 15 25.892 8.207 6.207 1.00 23.34 H new ATOM 0 HB2 PRO A 15 22.969 7.702 6.871 1.00 24.01 H new ATOM 0 HB3 PRO A 15 24.139 6.549 6.261 1.00 24.01 H new ATOM 0 HG2 PRO A 15 23.343 6.404 8.797 1.00 44.14 H new ATOM 0 HG3 PRO A 15 25.022 6.103 8.395 1.00 44.14 H new ATOM 0 HD2 PRO A 15 23.781 8.608 9.558 1.00 61.02 H new ATOM 0 HD3 PRO A 15 25.278 7.816 10.010 1.00 61.02 H new ATOM 210 N GLU A 16 23.950 9.293 4.736 1.00 44.35 N ATOM 211 CA GLU A 16 23.291 10.256 3.844 1.00 54.43 C ATOM 212 C GLU A 16 21.852 10.549 4.304 1.00 21.24 C ATOM 213 O GLU A 16 21.405 10.049 5.341 1.00 53.54 O ATOM 214 CB GLU A 16 23.283 9.706 2.407 1.00 45.55 C ATOM 215 CG GLU A 16 24.668 9.357 1.862 1.00 1.13 C ATOM 216 CD GLU A 16 25.559 10.575 1.662 1.00 54.11 C ATOM 217 OE1 GLU A 16 26.280 10.961 2.607 1.00 50.53 O ATOM 218 OE2 GLU A 16 25.540 11.156 0.554 1.00 43.02 O ATOM 0 H GLU A 16 24.056 8.361 4.336 1.00 44.35 H new ATOM 0 HA GLU A 16 23.850 11.191 3.875 1.00 54.43 H new ATOM 0 HB2 GLU A 16 22.657 8.814 2.375 1.00 45.55 H new ATOM 0 HB3 GLU A 16 22.822 10.443 1.750 1.00 45.55 H new ATOM 0 HG2 GLU A 16 25.158 8.666 2.548 1.00 1.13 H new ATOM 0 HG3 GLU A 16 24.556 8.837 0.911 1.00 1.13 H new ATOM 225 N THR A 17 21.123 11.354 3.531 1.00 15.34 N ATOM 226 CA THR A 17 19.739 11.709 3.879 1.00 33.31 C ATOM 227 C THR A 17 18.782 10.524 3.666 1.00 15.10 C ATOM 228 O THR A 17 18.155 10.381 2.612 1.00 24.32 O ATOM 229 CB THR A 17 19.243 12.939 3.077 1.00 72.43 C ATOM 230 OG1 THR A 17 20.121 14.053 3.308 1.00 2.03 O ATOM 231 CG2 THR A 17 17.817 13.331 3.469 1.00 4.24 C ATOM 0 H THR A 17 21.461 11.772 2.664 1.00 15.34 H new ATOM 0 HA THR A 17 19.740 11.968 4.938 1.00 33.31 H new ATOM 0 HB THR A 17 19.244 12.670 2.021 1.00 72.43 H new ATOM 0 HG1 THR A 17 19.806 14.829 2.799 1.00 2.03 H new ATOM 0 HG21 THR A 17 17.504 14.197 2.886 1.00 4.24 H new ATOM 0 HG22 THR A 17 17.143 12.498 3.271 1.00 4.24 H new ATOM 0 HG23 THR A 17 17.786 13.578 4.530 1.00 4.24 H new ATOM 239 N LYS A 18 18.702 9.663 4.677 1.00 35.21 N ATOM 240 CA LYS A 18 17.824 8.488 4.650 1.00 31.04 C ATOM 241 C LYS A 18 16.502 8.777 5.385 1.00 74.43 C ATOM 242 O LYS A 18 16.500 9.113 6.572 1.00 11.44 O ATOM 243 CB LYS A 18 18.551 7.292 5.287 1.00 70.15 C ATOM 244 CG LYS A 18 17.718 6.016 5.363 1.00 43.34 C ATOM 245 CD LYS A 18 18.542 4.832 5.873 1.00 21.55 C ATOM 246 CE LYS A 18 19.136 5.097 7.255 1.00 34.51 C ATOM 247 NZ LYS A 18 18.087 5.284 8.293 1.00 3.25 N ATOM 0 H LYS A 18 19.241 9.756 5.538 1.00 35.21 H new ATOM 0 HA LYS A 18 17.582 8.248 3.615 1.00 31.04 H new ATOM 0 HB2 LYS A 18 19.457 7.087 4.716 1.00 70.15 H new ATOM 0 HB3 LYS A 18 18.865 7.567 6.294 1.00 70.15 H new ATOM 0 HG2 LYS A 18 16.865 6.177 6.023 1.00 43.34 H new ATOM 0 HG3 LYS A 18 17.318 5.783 4.376 1.00 43.34 H new ATOM 0 HD2 LYS A 18 17.912 3.944 5.914 1.00 21.55 H new ATOM 0 HD3 LYS A 18 19.346 4.620 5.168 1.00 21.55 H new ATOM 0 HE2 LYS A 18 19.779 4.264 7.538 1.00 34.51 H new ATOM 0 HE3 LYS A 18 19.766 5.986 7.213 1.00 34.51 H new ATOM 0 HZ1 LYS A 18 18.535 5.377 9.227 1.00 3.25 H new ATOM 0 HZ2 LYS A 18 17.541 6.144 8.084 1.00 3.25 H new ATOM 0 HZ3 LYS A 18 17.450 4.462 8.295 1.00 3.25 H new ATOM 261 N GLN A 19 15.384 8.653 4.672 1.00 34.41 N ATOM 262 CA GLN A 19 14.058 8.989 5.217 1.00 12.31 C ATOM 263 C GLN A 19 13.503 7.878 6.129 1.00 5.23 C ATOM 264 O GLN A 19 13.868 6.708 6.002 1.00 74.12 O ATOM 265 CB GLN A 19 13.082 9.265 4.067 1.00 50.20 C ATOM 266 CG GLN A 19 13.505 10.414 3.159 1.00 42.45 C ATOM 267 CD GLN A 19 13.545 11.751 3.879 1.00 61.34 C ATOM 268 OE1 GLN A 19 12.553 12.471 3.936 1.00 43.15 O ATOM 269 NE2 GLN A 19 14.691 12.099 4.428 1.00 10.31 N ATOM 0 H GLN A 19 15.365 8.320 3.708 1.00 34.41 H new ATOM 0 HA GLN A 19 14.170 9.883 5.831 1.00 12.31 H new ATOM 0 HB2 GLN A 19 12.978 8.361 3.467 1.00 50.20 H new ATOM 0 HB3 GLN A 19 12.099 9.487 4.483 1.00 50.20 H new ATOM 0 HG2 GLN A 19 14.490 10.200 2.745 1.00 42.45 H new ATOM 0 HG3 GLN A 19 12.814 10.480 2.319 1.00 42.45 H new ATOM 0 HE21 GLN A 19 15.497 11.478 4.363 1.00 10.31 H new ATOM 0 HE22 GLN A 19 14.772 12.990 4.918 1.00 10.31 H new ATOM 278 N ALA A 20 12.627 8.261 7.059 1.00 74.31 N ATOM 279 CA ALA A 20 12.035 7.314 8.017 1.00 70.00 C ATOM 280 C ALA A 20 10.551 7.037 7.716 1.00 72.02 C ATOM 281 O ALA A 20 9.766 7.965 7.488 1.00 44.53 O ATOM 282 CB ALA A 20 12.195 7.847 9.437 1.00 74.32 C ATOM 0 H ALA A 20 12.308 9.223 7.173 1.00 74.31 H new ATOM 0 HA ALA A 20 12.567 6.368 7.919 1.00 70.00 H new ATOM 0 HB1 ALA A 20 11.755 7.142 10.142 1.00 74.32 H new ATOM 0 HB2 ALA A 20 13.254 7.971 9.662 1.00 74.32 H new ATOM 0 HB3 ALA A 20 11.690 8.809 9.523 1.00 74.32 H new ATOM 288 N PHE A 21 10.179 5.755 7.728 1.00 63.42 N ATOM 289 CA PHE A 21 8.792 5.329 7.491 1.00 23.41 C ATOM 290 C PHE A 21 7.899 5.577 8.723 1.00 21.30 C ATOM 291 O PHE A 21 8.099 4.956 9.770 1.00 70.43 O ATOM 292 CB PHE A 21 8.751 3.830 7.150 1.00 34.25 C ATOM 293 CG PHE A 21 9.416 3.455 5.847 1.00 11.03 C ATOM 294 CD1 PHE A 21 8.835 3.794 4.633 1.00 43.30 C ATOM 295 CD2 PHE A 21 10.618 2.758 5.837 1.00 41.44 C ATOM 296 CE1 PHE A 21 9.437 3.445 3.439 1.00 12.34 C ATOM 297 CE2 PHE A 21 11.223 2.408 4.644 1.00 4.34 C ATOM 298 CZ PHE A 21 10.632 2.752 3.445 1.00 71.21 C ATOM 0 H PHE A 21 10.824 4.984 7.901 1.00 63.42 H new ATOM 0 HA PHE A 21 8.411 5.920 6.658 1.00 23.41 H new ATOM 0 HB2 PHE A 21 9.229 3.276 7.958 1.00 34.25 H new ATOM 0 HB3 PHE A 21 7.710 3.509 7.115 1.00 34.25 H new ATOM 0 HD1 PHE A 21 7.901 4.337 4.621 1.00 43.30 H new ATOM 0 HD2 PHE A 21 11.085 2.486 6.772 1.00 41.44 H new ATOM 0 HE1 PHE A 21 8.973 3.714 2.501 1.00 12.34 H new ATOM 0 HE2 PHE A 21 12.157 1.866 4.650 1.00 4.34 H new ATOM 0 HZ PHE A 21 11.103 2.480 2.512 1.00 71.21 H new ATOM 308 N PRO A 22 6.895 6.473 8.624 1.00 41.41 N ATOM 309 CA PRO A 22 5.925 6.673 9.705 1.00 61.05 C ATOM 310 C PRO A 22 4.767 5.655 9.643 1.00 2.10 C ATOM 311 O PRO A 22 3.788 5.840 8.910 1.00 74.04 O ATOM 312 CB PRO A 22 5.426 8.095 9.443 1.00 61.01 C ATOM 313 CG PRO A 22 5.502 8.254 7.955 1.00 65.44 C ATOM 314 CD PRO A 22 6.634 7.368 7.477 1.00 42.10 C ATOM 0 HA PRO A 22 6.358 6.534 10.695 1.00 61.05 H new ATOM 0 HB2 PRO A 22 4.407 8.230 9.805 1.00 61.01 H new ATOM 0 HB3 PRO A 22 6.046 8.833 9.953 1.00 61.01 H new ATOM 0 HG2 PRO A 22 4.561 7.965 7.487 1.00 65.44 H new ATOM 0 HG3 PRO A 22 5.686 9.294 7.686 1.00 65.44 H new ATOM 0 HD2 PRO A 22 6.352 6.805 6.587 1.00 42.10 H new ATOM 0 HD3 PRO A 22 7.517 7.953 7.218 1.00 42.10 H new ATOM 322 N ARG A 23 4.864 4.594 10.441 1.00 54.45 N ATOM 323 CA ARG A 23 3.886 3.500 10.395 1.00 13.20 C ATOM 324 C ARG A 23 2.591 3.843 11.150 1.00 13.22 C ATOM 325 O ARG A 23 1.541 3.261 10.876 1.00 33.34 O ATOM 326 CB ARG A 23 4.512 2.188 10.905 1.00 63.12 C ATOM 327 CG ARG A 23 5.255 2.315 12.230 1.00 72.02 C ATOM 328 CD ARG A 23 5.928 1.005 12.636 1.00 43.34 C ATOM 329 NE ARG A 23 6.944 1.217 13.664 1.00 64.10 N ATOM 330 CZ ARG A 23 7.919 0.391 13.919 1.00 73.53 C ATOM 331 NH1 ARG A 23 7.979 -0.766 13.334 1.00 24.22 N ATOM 332 NH2 ARG A 23 8.826 0.718 14.778 1.00 53.14 N ATOM 0 H ARG A 23 5.607 4.465 11.128 1.00 54.45 H new ATOM 0 HA ARG A 23 3.604 3.357 9.352 1.00 13.20 H new ATOM 0 HB2 ARG A 23 3.724 1.443 11.015 1.00 63.12 H new ATOM 0 HB3 ARG A 23 5.203 1.812 10.150 1.00 63.12 H new ATOM 0 HG2 ARG A 23 6.007 3.100 12.150 1.00 72.02 H new ATOM 0 HG3 ARG A 23 4.557 2.621 13.009 1.00 72.02 H new ATOM 0 HD2 ARG A 23 5.176 0.308 13.006 1.00 43.34 H new ATOM 0 HD3 ARG A 23 6.386 0.544 11.761 1.00 43.34 H new ATOM 0 HE ARG A 23 6.886 2.070 14.220 1.00 64.10 H new ATOM 0 HH11 ARG A 23 7.258 -1.038 12.666 1.00 24.22 H new ATOM 0 HH12 ARG A 23 8.747 -1.404 13.542 1.00 24.22 H new ATOM 0 HH21 ARG A 23 8.777 1.619 15.253 1.00 53.14 H new ATOM 0 HH22 ARG A 23 9.591 0.075 14.981 1.00 53.14 H new ATOM 346 N LYS A 24 2.662 4.794 12.082 1.00 31.22 N ATOM 347 CA LYS A 24 1.456 5.304 12.756 1.00 31.12 C ATOM 348 C LYS A 24 0.405 5.791 11.743 1.00 24.24 C ATOM 349 O LYS A 24 -0.799 5.647 11.963 1.00 53.44 O ATOM 350 CB LYS A 24 1.811 6.457 13.710 1.00 13.32 C ATOM 351 CG LYS A 24 2.584 6.032 14.954 1.00 73.11 C ATOM 352 CD LYS A 24 2.892 7.225 15.857 1.00 14.14 C ATOM 353 CE LYS A 24 3.454 6.791 17.207 1.00 61.33 C ATOM 354 NZ LYS A 24 2.455 6.032 18.006 1.00 53.43 N ATOM 0 H LYS A 24 3.533 5.227 12.389 1.00 31.22 H new ATOM 0 HA LYS A 24 1.034 4.476 13.326 1.00 31.12 H new ATOM 0 HB2 LYS A 24 2.401 7.194 13.165 1.00 13.32 H new ATOM 0 HB3 LYS A 24 0.891 6.951 14.021 1.00 13.32 H new ATOM 0 HG2 LYS A 24 2.005 5.294 15.509 1.00 73.11 H new ATOM 0 HG3 LYS A 24 3.515 5.549 14.658 1.00 73.11 H new ATOM 0 HD2 LYS A 24 3.608 7.880 15.360 1.00 14.14 H new ATOM 0 HD3 LYS A 24 1.983 7.806 16.013 1.00 14.14 H new ATOM 0 HE2 LYS A 24 4.338 6.173 17.050 1.00 61.33 H new ATOM 0 HE3 LYS A 24 3.774 7.670 17.766 1.00 61.33 H new ATOM 0 HZ1 LYS A 24 2.764 5.990 18.998 1.00 53.43 H new ATOM 0 HZ2 LYS A 24 1.532 6.508 17.950 1.00 53.43 H new ATOM 0 HZ3 LYS A 24 2.370 5.067 17.629 1.00 53.43 H new ATOM 368 N PHE A 25 0.873 6.372 10.639 1.00 22.12 N ATOM 369 CA PHE A 25 -0.017 6.909 9.603 1.00 31.43 C ATOM 370 C PHE A 25 -0.219 5.918 8.449 1.00 14.32 C ATOM 371 O PHE A 25 -1.344 5.704 7.999 1.00 71.41 O ATOM 372 CB PHE A 25 0.541 8.230 9.066 1.00 71.33 C ATOM 373 CG PHE A 25 0.645 9.307 10.120 1.00 71.34 C ATOM 374 CD1 PHE A 25 -0.446 10.113 10.413 1.00 3.23 C ATOM 375 CD2 PHE A 25 1.828 9.509 10.821 1.00 43.52 C ATOM 376 CE1 PHE A 25 -0.360 11.093 11.382 1.00 32.11 C ATOM 377 CE2 PHE A 25 1.916 10.492 11.789 1.00 75.25 C ATOM 378 CZ PHE A 25 0.821 11.284 12.069 1.00 12.52 C ATOM 0 H PHE A 25 1.866 6.484 10.436 1.00 22.12 H new ATOM 0 HA PHE A 25 -0.990 7.082 10.063 1.00 31.43 H new ATOM 0 HB2 PHE A 25 1.528 8.053 8.639 1.00 71.33 H new ATOM 0 HB3 PHE A 25 -0.098 8.584 8.257 1.00 71.33 H new ATOM 0 HD1 PHE A 25 -1.373 9.972 9.877 1.00 3.23 H new ATOM 0 HD2 PHE A 25 2.688 8.891 10.607 1.00 43.52 H new ATOM 0 HE1 PHE A 25 -1.218 11.711 11.602 1.00 32.11 H new ATOM 0 HE2 PHE A 25 2.841 10.640 12.326 1.00 75.25 H new ATOM 0 HZ PHE A 25 0.889 12.052 12.825 1.00 12.52 H new ATOM 388 N VAL A 26 0.869 5.313 7.972 1.00 25.45 N ATOM 389 CA VAL A 26 0.791 4.365 6.851 1.00 21.35 C ATOM 390 C VAL A 26 -0.126 3.172 7.171 1.00 73.11 C ATOM 391 O VAL A 26 -1.034 2.853 6.402 1.00 0.11 O ATOM 392 CB VAL A 26 2.192 3.848 6.439 1.00 71.22 C ATOM 393 CG1 VAL A 26 2.085 2.852 5.285 1.00 24.23 C ATOM 394 CG2 VAL A 26 3.106 5.014 6.061 1.00 33.52 C ATOM 0 H VAL A 26 1.810 5.458 8.338 1.00 25.45 H new ATOM 0 HA VAL A 26 0.362 4.916 6.014 1.00 21.35 H new ATOM 0 HB VAL A 26 2.629 3.332 7.294 1.00 71.22 H new ATOM 0 HG11 VAL A 26 3.081 2.502 5.013 1.00 24.23 H new ATOM 0 HG12 VAL A 26 1.474 2.003 5.592 1.00 24.23 H new ATOM 0 HG13 VAL A 26 1.624 3.339 4.426 1.00 24.23 H new ATOM 0 HG21 VAL A 26 4.085 4.631 5.775 1.00 33.52 H new ATOM 0 HG22 VAL A 26 2.671 5.561 5.224 1.00 33.52 H new ATOM 0 HG23 VAL A 26 3.214 5.683 6.915 1.00 33.52 H new ATOM 404 N LEU A 27 0.102 2.525 8.317 1.00 72.51 N ATOM 405 CA LEU A 27 -0.747 1.405 8.747 1.00 21.20 C ATOM 406 C LEU A 27 -2.192 1.867 8.986 1.00 71.14 C ATOM 407 O LEU A 27 -3.141 1.124 8.739 1.00 41.10 O ATOM 408 CB LEU A 27 -0.184 0.751 10.017 1.00 61.10 C ATOM 409 CG LEU A 27 1.207 0.109 9.870 1.00 2.21 C ATOM 410 CD1 LEU A 27 1.679 -0.480 11.199 1.00 34.24 C ATOM 411 CD2 LEU A 27 1.197 -0.961 8.778 1.00 14.32 C ATOM 0 H LEU A 27 0.860 2.753 8.961 1.00 72.51 H new ATOM 0 HA LEU A 27 -0.751 0.666 7.946 1.00 21.20 H new ATOM 0 HB2 LEU A 27 -0.136 1.505 10.802 1.00 61.10 H new ATOM 0 HB3 LEU A 27 -0.885 -0.014 10.352 1.00 61.10 H new ATOM 0 HG LEU A 27 1.910 0.889 9.577 1.00 2.21 H new ATOM 0 HD11 LEU A 27 2.664 -0.928 11.069 1.00 34.24 H new ATOM 0 HD12 LEU A 27 1.735 0.310 11.948 1.00 34.24 H new ATOM 0 HD13 LEU A 27 0.974 -1.243 11.529 1.00 34.24 H new ATOM 0 HD21 LEU A 27 2.190 -1.402 8.691 1.00 14.32 H new ATOM 0 HD22 LEU A 27 0.477 -1.738 9.036 1.00 14.32 H new ATOM 0 HD23 LEU A 27 0.917 -0.508 7.827 1.00 14.32 H new ATOM 423 N ALA A 28 -2.344 3.104 9.462 1.00 52.03 N ATOM 424 CA ALA A 28 -3.666 3.701 9.671 1.00 31.23 C ATOM 425 C ALA A 28 -4.436 3.833 8.348 1.00 51.05 C ATOM 426 O ALA A 28 -5.612 3.482 8.262 1.00 41.33 O ATOM 427 CB ALA A 28 -3.529 5.063 10.342 1.00 5.20 C ATOM 0 H ALA A 28 -1.566 3.714 9.711 1.00 52.03 H new ATOM 0 HA ALA A 28 -4.234 3.039 10.324 1.00 31.23 H new ATOM 0 HB1 ALA A 28 -4.518 5.496 10.492 1.00 5.20 H new ATOM 0 HB2 ALA A 28 -3.035 4.945 11.306 1.00 5.20 H new ATOM 0 HB3 ALA A 28 -2.936 5.723 9.708 1.00 5.20 H new ATOM 433 N ALA A 29 -3.766 4.352 7.322 1.00 15.14 N ATOM 434 CA ALA A 29 -4.362 4.464 5.989 1.00 24.30 C ATOM 435 C ALA A 29 -4.665 3.078 5.410 1.00 14.35 C ATOM 436 O ALA A 29 -5.708 2.857 4.794 1.00 2.05 O ATOM 437 CB ALA A 29 -3.434 5.241 5.062 1.00 74.33 C ATOM 0 H ALA A 29 -2.810 4.702 7.386 1.00 15.14 H new ATOM 0 HA ALA A 29 -5.303 5.006 6.076 1.00 24.30 H new ATOM 0 HB1 ALA A 29 -3.888 5.318 4.074 1.00 74.33 H new ATOM 0 HB2 ALA A 29 -3.271 6.241 5.465 1.00 74.33 H new ATOM 0 HB3 ALA A 29 -2.479 4.721 4.983 1.00 74.33 H new ATOM 443 N LEU A 30 -3.745 2.147 5.635 1.00 22.43 N ATOM 444 CA LEU A 30 -3.894 0.768 5.170 1.00 52.04 C ATOM 445 C LEU A 30 -5.165 0.111 5.740 1.00 14.22 C ATOM 446 O LEU A 30 -6.002 -0.395 4.990 1.00 42.33 O ATOM 447 CB LEU A 30 -2.651 -0.038 5.569 1.00 74.31 C ATOM 448 CG LEU A 30 -2.593 -1.479 5.042 1.00 14.14 C ATOM 449 CD1 LEU A 30 -2.636 -1.505 3.516 1.00 41.43 C ATOM 450 CD2 LEU A 30 -1.340 -2.182 5.561 1.00 24.52 C ATOM 0 H LEU A 30 -2.878 2.323 6.142 1.00 22.43 H new ATOM 0 HA LEU A 30 -3.993 0.779 4.085 1.00 52.04 H new ATOM 0 HB2 LEU A 30 -1.767 0.494 5.216 1.00 74.31 H new ATOM 0 HB3 LEU A 30 -2.593 -0.066 6.657 1.00 74.31 H new ATOM 0 HG LEU A 30 -3.469 -2.014 5.409 1.00 14.14 H new ATOM 0 HD11 LEU A 30 -2.594 -2.537 3.168 1.00 41.43 H new ATOM 0 HD12 LEU A 30 -3.561 -1.043 3.170 1.00 41.43 H new ATOM 0 HD13 LEU A 30 -1.784 -0.953 3.119 1.00 41.43 H new ATOM 0 HD21 LEU A 30 -1.311 -3.203 5.180 1.00 24.52 H new ATOM 0 HD22 LEU A 30 -0.454 -1.644 5.223 1.00 24.52 H new ATOM 0 HD23 LEU A 30 -1.359 -2.202 6.651 1.00 24.52 H new ATOM 462 N GLU A 31 -5.313 0.137 7.066 1.00 50.32 N ATOM 463 CA GLU A 31 -6.469 -0.482 7.730 1.00 13.41 C ATOM 464 C GLU A 31 -7.788 0.211 7.344 1.00 64.22 C ATOM 465 O GLU A 31 -8.801 -0.450 7.118 1.00 43.03 O ATOM 466 CB GLU A 31 -6.288 -0.468 9.257 1.00 64.20 C ATOM 467 CG GLU A 31 -6.264 0.929 9.874 1.00 74.41 C ATOM 468 CD GLU A 31 -6.051 0.904 11.380 1.00 5.44 C ATOM 469 OE1 GLU A 31 -6.838 0.229 12.082 1.00 52.31 O ATOM 470 OE2 GLU A 31 -5.104 1.554 11.872 1.00 75.23 O ATOM 0 H GLU A 31 -4.650 0.578 7.703 1.00 50.32 H new ATOM 0 HA GLU A 31 -6.524 -1.516 7.389 1.00 13.41 H new ATOM 0 HB2 GLU A 31 -7.097 -1.040 9.712 1.00 64.20 H new ATOM 0 HB3 GLU A 31 -5.358 -0.978 9.506 1.00 64.20 H new ATOM 0 HG2 GLU A 31 -5.470 1.513 9.409 1.00 74.41 H new ATOM 0 HG3 GLU A 31 -7.204 1.435 9.653 1.00 74.41 H new ATOM 477 N GLN A 32 -7.765 1.543 7.252 1.00 55.42 N ATOM 478 CA GLN A 32 -8.954 2.317 6.855 1.00 40.23 C ATOM 479 C GLN A 32 -9.311 2.092 5.374 1.00 3.32 C ATOM 480 O GLN A 32 -10.371 2.513 4.908 1.00 10.12 O ATOM 481 CB GLN A 32 -8.725 3.813 7.121 1.00 3.32 C ATOM 482 CG GLN A 32 -8.614 4.164 8.602 1.00 73.35 C ATOM 483 CD GLN A 32 -8.291 5.631 8.839 1.00 44.24 C ATOM 484 OE1 GLN A 32 -9.176 6.471 8.959 1.00 70.41 O ATOM 485 NE2 GLN A 32 -7.015 5.949 8.904 1.00 13.42 N ATOM 0 H GLN A 32 -6.940 2.111 7.446 1.00 55.42 H new ATOM 0 HA GLN A 32 -9.793 1.967 7.456 1.00 40.23 H new ATOM 0 HB2 GLN A 32 -7.813 4.128 6.613 1.00 3.32 H new ATOM 0 HB3 GLN A 32 -9.546 4.380 6.683 1.00 3.32 H new ATOM 0 HG2 GLN A 32 -9.552 3.919 9.100 1.00 73.35 H new ATOM 0 HG3 GLN A 32 -7.840 3.548 9.059 1.00 73.35 H new ATOM 0 HE21 GLN A 32 -6.303 5.226 8.800 1.00 13.42 H new ATOM 0 HE22 GLN A 32 -6.738 6.919 9.058 1.00 13.42 H new ATOM 494 N SER A 33 -8.410 1.439 4.644 1.00 64.11 N ATOM 495 CA SER A 33 -8.637 1.092 3.234 1.00 25.13 C ATOM 496 C SER A 33 -8.791 -0.430 3.052 1.00 50.13 C ATOM 497 O SER A 33 -8.846 -0.928 1.925 1.00 35.11 O ATOM 498 CB SER A 33 -7.469 1.606 2.371 1.00 23.32 C ATOM 499 OG SER A 33 -7.648 1.282 1.001 1.00 45.03 O ATOM 0 H SER A 33 -7.506 1.135 5.006 1.00 64.11 H new ATOM 0 HA SER A 33 -9.563 1.569 2.914 1.00 25.13 H new ATOM 0 HB2 SER A 33 -7.383 2.687 2.481 1.00 23.32 H new ATOM 0 HB3 SER A 33 -6.534 1.174 2.728 1.00 23.32 H new ATOM 0 HG SER A 33 -8.099 0.415 0.926 1.00 45.03 H new ATOM 505 N SER A 34 -8.868 -1.166 4.161 1.00 55.31 N ATOM 506 CA SER A 34 -8.949 -2.638 4.120 1.00 5.31 C ATOM 507 C SER A 34 -10.397 -3.148 4.126 1.00 31.01 C ATOM 508 O SER A 34 -11.322 -2.450 4.539 1.00 20.44 O ATOM 509 CB SER A 34 -8.203 -3.257 5.315 1.00 1.20 C ATOM 510 OG SER A 34 -6.814 -2.959 5.289 1.00 20.14 O ATOM 0 H SER A 34 -8.876 -0.773 5.102 1.00 55.31 H new ATOM 0 HA SER A 34 -8.482 -2.943 3.184 1.00 5.31 H new ATOM 0 HB2 SER A 34 -8.636 -2.886 6.244 1.00 1.20 H new ATOM 0 HB3 SER A 34 -8.342 -4.338 5.308 1.00 1.20 H new ATOM 0 HG SER A 34 -6.689 -1.988 5.238 1.00 20.14 H new ATOM 516 N ASP A 35 -10.581 -4.371 3.638 1.00 65.23 N ATOM 517 CA ASP A 35 -11.858 -5.080 3.770 1.00 60.52 C ATOM 518 C ASP A 35 -11.862 -5.961 5.031 1.00 65.30 C ATOM 519 O ASP A 35 -10.891 -5.972 5.788 1.00 70.31 O ATOM 520 CB ASP A 35 -12.114 -5.929 2.521 1.00 45.10 C ATOM 521 CG ASP A 35 -12.412 -5.073 1.304 1.00 32.30 C ATOM 522 OD1 ASP A 35 -13.412 -4.327 1.334 1.00 40.54 O ATOM 523 OD2 ASP A 35 -11.658 -5.139 0.315 1.00 34.43 O ATOM 0 H ASP A 35 -9.860 -4.897 3.144 1.00 65.23 H new ATOM 0 HA ASP A 35 -12.658 -4.346 3.868 1.00 60.52 H new ATOM 0 HB2 ASP A 35 -11.242 -6.552 2.321 1.00 45.10 H new ATOM 0 HB3 ASP A 35 -12.952 -6.602 2.705 1.00 45.10 H new ATOM 528 N ASP A 36 -12.949 -6.702 5.247 1.00 72.11 N ATOM 529 CA ASP A 36 -13.073 -7.584 6.417 1.00 73.44 C ATOM 530 C ASP A 36 -11.860 -8.521 6.579 1.00 2.42 C ATOM 531 O ASP A 36 -11.405 -8.774 7.694 1.00 64.52 O ATOM 532 CB ASP A 36 -14.358 -8.411 6.311 1.00 24.21 C ATOM 533 CG ASP A 36 -14.514 -9.392 7.462 1.00 73.11 C ATOM 534 OD1 ASP A 36 -14.938 -8.971 8.559 1.00 24.53 O ATOM 535 OD2 ASP A 36 -14.203 -10.588 7.278 1.00 5.43 O ATOM 0 H ASP A 36 -13.760 -6.712 4.628 1.00 72.11 H new ATOM 0 HA ASP A 36 -13.111 -6.947 7.301 1.00 73.44 H new ATOM 0 HB2 ASP A 36 -15.217 -7.741 6.290 1.00 24.21 H new ATOM 0 HB3 ASP A 36 -14.358 -8.958 5.368 1.00 24.21 H new ATOM 540 N ALA A 37 -11.334 -9.018 5.459 1.00 22.02 N ATOM 541 CA ALA A 37 -10.206 -9.959 5.484 1.00 4.23 C ATOM 542 C ALA A 37 -8.864 -9.260 5.769 1.00 41.23 C ATOM 543 O ALA A 37 -7.838 -9.920 5.921 1.00 3.21 O ATOM 544 CB ALA A 37 -10.136 -10.715 4.162 1.00 12.15 C ATOM 0 H ALA A 37 -11.668 -8.787 4.523 1.00 22.02 H new ATOM 0 HA ALA A 37 -10.381 -10.659 6.301 1.00 4.23 H new ATOM 0 HB1 ALA A 37 -9.298 -11.412 4.185 1.00 12.15 H new ATOM 0 HB2 ALA A 37 -11.063 -11.268 4.009 1.00 12.15 H new ATOM 0 HB3 ALA A 37 -9.997 -10.007 3.345 1.00 12.15 H new ATOM 550 N GLY A 38 -8.877 -7.931 5.846 1.00 2.11 N ATOM 551 CA GLY A 38 -7.654 -7.180 6.121 1.00 45.03 C ATOM 552 C GLY A 38 -6.897 -6.767 4.862 1.00 11.50 C ATOM 553 O GLY A 38 -5.815 -6.194 4.945 1.00 1.15 O ATOM 0 H GLY A 38 -9.711 -7.357 5.723 1.00 2.11 H new ATOM 0 HA2 GLY A 38 -7.906 -6.287 6.693 1.00 45.03 H new ATOM 0 HA3 GLY A 38 -6.999 -7.785 6.747 1.00 45.03 H new ATOM 557 N TRP A 39 -7.474 -7.054 3.694 1.00 34.11 N ATOM 558 CA TRP A 39 -6.849 -6.709 2.410 1.00 64.52 C ATOM 559 C TRP A 39 -7.254 -5.305 1.936 1.00 54.32 C ATOM 560 O TRP A 39 -8.441 -4.977 1.868 1.00 32.11 O ATOM 561 CB TRP A 39 -7.225 -7.743 1.337 1.00 72.32 C ATOM 562 CG TRP A 39 -6.596 -9.091 1.551 1.00 24.52 C ATOM 563 CD1 TRP A 39 -7.220 -10.242 1.941 1.00 50.13 C ATOM 564 CD2 TRP A 39 -5.212 -9.420 1.388 1.00 43.30 C ATOM 565 NE1 TRP A 39 -6.308 -11.267 2.021 1.00 2.33 N ATOM 566 CE2 TRP A 39 -5.069 -10.786 1.692 1.00 24.24 C ATOM 567 CE3 TRP A 39 -4.080 -8.691 1.016 1.00 54.10 C ATOM 568 CZ2 TRP A 39 -3.839 -11.434 1.628 1.00 11.12 C ATOM 569 CZ3 TRP A 39 -2.863 -9.338 0.955 1.00 3.21 C ATOM 570 CH2 TRP A 39 -2.751 -10.695 1.261 1.00 21.45 C ATOM 0 H TRP A 39 -8.375 -7.525 3.608 1.00 34.11 H new ATOM 0 HA TRP A 39 -5.770 -6.716 2.563 1.00 64.52 H new ATOM 0 HB2 TRP A 39 -8.309 -7.856 1.318 1.00 72.32 H new ATOM 0 HB3 TRP A 39 -6.927 -7.364 0.359 1.00 72.32 H new ATOM 0 HD1 TRP A 39 -8.275 -10.333 2.155 1.00 50.13 H new ATOM 0 HE1 TRP A 39 -6.520 -12.230 2.283 1.00 2.33 H new ATOM 0 HE3 TRP A 39 -4.156 -7.640 0.780 1.00 54.10 H new ATOM 0 HZ2 TRP A 39 -3.748 -12.485 1.861 1.00 11.12 H new ATOM 0 HZ3 TRP A 39 -1.982 -8.785 0.665 1.00 3.21 H new ATOM 0 HH2 TRP A 39 -1.783 -11.171 1.206 1.00 21.45 H new ATOM 581 N ALA A 40 -6.260 -4.482 1.616 1.00 52.13 N ATOM 582 CA ALA A 40 -6.493 -3.135 1.081 1.00 71.33 C ATOM 583 C ALA A 40 -5.954 -3.007 -0.352 1.00 12.45 C ATOM 584 O ALA A 40 -4.775 -3.251 -0.600 1.00 31.14 O ATOM 585 CB ALA A 40 -5.839 -2.096 1.983 1.00 55.24 C ATOM 0 H ALA A 40 -5.274 -4.723 1.718 1.00 52.13 H new ATOM 0 HA ALA A 40 -7.569 -2.961 1.054 1.00 71.33 H new ATOM 0 HB1 ALA A 40 -6.017 -1.100 1.579 1.00 55.24 H new ATOM 0 HB2 ALA A 40 -6.266 -2.163 2.984 1.00 55.24 H new ATOM 0 HB3 ALA A 40 -4.766 -2.281 2.033 1.00 55.24 H new ATOM 591 N ASN A 41 -6.818 -2.623 -1.291 1.00 30.13 N ATOM 592 CA ASN A 41 -6.411 -2.464 -2.693 1.00 62.21 C ATOM 593 C ASN A 41 -5.374 -1.334 -2.847 1.00 4.50 C ATOM 594 O ASN A 41 -5.576 -0.223 -2.350 1.00 2.32 O ATOM 595 CB ASN A 41 -7.644 -2.184 -3.570 1.00 52.04 C ATOM 596 CG ASN A 41 -7.333 -2.185 -5.061 1.00 33.33 C ATOM 597 OD1 ASN A 41 -6.238 -1.837 -5.487 1.00 61.33 O ATOM 598 ND2 ASN A 41 -8.295 -2.580 -5.869 1.00 64.34 N ATOM 0 H ASN A 41 -7.800 -2.416 -1.111 1.00 30.13 H new ATOM 0 HA ASN A 41 -5.944 -3.393 -3.021 1.00 62.21 H new ATOM 0 HB2 ASN A 41 -8.406 -2.935 -3.364 1.00 52.04 H new ATOM 0 HB3 ASN A 41 -8.066 -1.218 -3.294 1.00 52.04 H new ATOM 0 HD21 ASN A 41 -8.138 -2.602 -6.877 1.00 64.34 H new ATOM 0 HD22 ASN A 41 -9.197 -2.864 -5.487 1.00 64.34 H new ATOM 605 N LEU A 42 -4.278 -1.632 -3.550 1.00 32.33 N ATOM 606 CA LEU A 42 -3.183 -0.673 -3.792 1.00 22.44 C ATOM 607 C LEU A 42 -3.691 0.718 -4.221 1.00 5.40 C ATOM 608 O LEU A 42 -3.181 1.744 -3.763 1.00 24.10 O ATOM 609 CB LEU A 42 -2.246 -1.233 -4.874 1.00 30.34 C ATOM 610 CG LEU A 42 -1.066 -0.330 -5.275 1.00 63.52 C ATOM 611 CD1 LEU A 42 -0.105 -0.141 -4.103 1.00 3.33 C ATOM 612 CD2 LEU A 42 -0.343 -0.904 -6.494 1.00 25.51 C ATOM 0 H LEU A 42 -4.119 -2.547 -3.971 1.00 32.33 H new ATOM 0 HA LEU A 42 -2.651 -0.544 -2.850 1.00 22.44 H new ATOM 0 HB2 LEU A 42 -1.847 -2.185 -4.524 1.00 30.34 H new ATOM 0 HB3 LEU A 42 -2.837 -1.443 -5.766 1.00 30.34 H new ATOM 0 HG LEU A 42 -1.458 0.651 -5.545 1.00 63.52 H new ATOM 0 HD11 LEU A 42 0.721 0.501 -4.410 1.00 3.33 H new ATOM 0 HD12 LEU A 42 -0.634 0.322 -3.270 1.00 3.33 H new ATOM 0 HD13 LEU A 42 0.285 -1.110 -3.792 1.00 3.33 H new ATOM 0 HD21 LEU A 42 0.488 -0.253 -6.764 1.00 25.51 H new ATOM 0 HD22 LEU A 42 0.036 -1.898 -6.257 1.00 25.51 H new ATOM 0 HD23 LEU A 42 -1.038 -0.971 -7.331 1.00 25.51 H new ATOM 624 N GLY A 43 -4.685 0.745 -5.108 1.00 62.23 N ATOM 625 CA GLY A 43 -5.247 2.013 -5.565 1.00 34.34 C ATOM 626 C GLY A 43 -5.858 2.833 -4.430 1.00 54.44 C ATOM 627 O GLY A 43 -5.592 4.030 -4.299 1.00 42.03 O ATOM 0 H GLY A 43 -5.112 -0.085 -5.519 1.00 62.23 H new ATOM 0 HA2 GLY A 43 -4.465 2.598 -6.050 1.00 34.34 H new ATOM 0 HA3 GLY A 43 -6.011 1.817 -6.317 1.00 34.34 H new ATOM 631 N ASN A 44 -6.666 2.176 -3.600 1.00 44.13 N ATOM 632 CA ASN A 44 -7.324 2.835 -2.466 1.00 2.22 C ATOM 633 C ASN A 44 -6.304 3.242 -1.392 1.00 41.01 C ATOM 634 O ASN A 44 -6.344 4.359 -0.874 1.00 51.04 O ATOM 635 CB ASN A 44 -8.389 1.904 -1.869 1.00 64.42 C ATOM 636 CG ASN A 44 -9.443 1.509 -2.889 1.00 73.04 C ATOM 637 OD1 ASN A 44 -9.771 2.273 -3.787 1.00 41.34 O ATOM 638 ND2 ASN A 44 -9.976 0.310 -2.767 1.00 73.22 N ATOM 0 H ASN A 44 -6.883 1.183 -3.690 1.00 44.13 H new ATOM 0 HA ASN A 44 -7.805 3.743 -2.828 1.00 2.22 H new ATOM 0 HB2 ASN A 44 -7.908 1.007 -1.480 1.00 64.42 H new ATOM 0 HB3 ASN A 44 -8.870 2.399 -1.025 1.00 64.42 H new ATOM 0 HD21 ASN A 44 -10.683 -0.004 -3.432 1.00 73.22 H new ATOM 0 HD22 ASN A 44 -9.682 -0.304 -2.008 1.00 73.22 H new ATOM 645 N PHE A 45 -5.383 2.330 -1.079 1.00 60.33 N ATOM 646 CA PHE A 45 -4.312 2.599 -0.111 1.00 63.03 C ATOM 647 C PHE A 45 -3.472 3.814 -0.524 1.00 51.42 C ATOM 648 O PHE A 45 -3.260 4.728 0.272 1.00 55.24 O ATOM 649 CB PHE A 45 -3.412 1.363 0.038 1.00 51.13 C ATOM 650 CG PHE A 45 -2.187 1.598 0.897 1.00 4.15 C ATOM 651 CD1 PHE A 45 -2.315 1.979 2.225 1.00 20.41 C ATOM 652 CD2 PHE A 45 -0.911 1.433 0.374 1.00 1.45 C ATOM 653 CE1 PHE A 45 -1.197 2.192 3.011 1.00 74.54 C ATOM 654 CE2 PHE A 45 0.210 1.643 1.157 1.00 64.10 C ATOM 655 CZ PHE A 45 0.065 2.022 2.477 1.00 10.33 C ATOM 0 H PHE A 45 -5.355 1.394 -1.482 1.00 60.33 H new ATOM 0 HA PHE A 45 -4.778 2.825 0.848 1.00 63.03 H new ATOM 0 HB2 PHE A 45 -3.996 0.550 0.469 1.00 51.13 H new ATOM 0 HB3 PHE A 45 -3.093 1.036 -0.952 1.00 51.13 H new ATOM 0 HD1 PHE A 45 -3.299 2.111 2.650 1.00 20.41 H new ATOM 0 HD2 PHE A 45 -0.792 1.137 -0.658 1.00 1.45 H new ATOM 0 HE1 PHE A 45 -1.311 2.491 4.042 1.00 74.54 H new ATOM 0 HE2 PHE A 45 1.196 1.511 0.737 1.00 64.10 H new ATOM 0 HZ PHE A 45 0.938 2.185 3.091 1.00 10.33 H new ATOM 665 N GLY A 46 -2.998 3.815 -1.770 1.00 33.32 N ATOM 666 CA GLY A 46 -2.194 4.929 -2.264 1.00 12.10 C ATOM 667 C GLY A 46 -2.914 6.274 -2.180 1.00 62.40 C ATOM 668 O GLY A 46 -2.311 7.289 -1.829 1.00 70.01 O ATOM 0 H GLY A 46 -3.155 3.068 -2.446 1.00 33.32 H new ATOM 0 HA2 GLY A 46 -1.269 4.983 -1.691 1.00 12.10 H new ATOM 0 HA3 GLY A 46 -1.916 4.737 -3.300 1.00 12.10 H new ATOM 672 N ASN A 47 -4.206 6.273 -2.494 1.00 11.03 N ATOM 673 CA ASN A 47 -5.019 7.494 -2.439 1.00 65.53 C ATOM 674 C ASN A 47 -5.182 7.984 -0.987 1.00 64.34 C ATOM 675 O ASN A 47 -4.933 9.151 -0.678 1.00 53.13 O ATOM 676 CB ASN A 47 -6.394 7.220 -3.062 1.00 33.35 C ATOM 677 CG ASN A 47 -7.223 8.477 -3.266 1.00 0.53 C ATOM 678 OD1 ASN A 47 -7.070 9.473 -2.569 1.00 33.24 O ATOM 679 ND2 ASN A 47 -8.120 8.439 -4.226 1.00 1.41 N ATOM 0 H ASN A 47 -4.717 5.442 -2.790 1.00 11.03 H new ATOM 0 HA ASN A 47 -4.512 8.277 -3.003 1.00 65.53 H new ATOM 0 HB2 ASN A 47 -6.257 6.723 -4.023 1.00 33.35 H new ATOM 0 HB3 ASN A 47 -6.944 6.530 -2.422 1.00 33.35 H new ATOM 0 HD21 ASN A 47 -8.710 9.252 -4.406 1.00 1.41 H new ATOM 0 HD22 ASN A 47 -8.226 7.597 -4.791 1.00 1.41 H new ATOM 686 N TYR A 48 -5.581 7.074 -0.100 1.00 61.20 N ATOM 687 CA TYR A 48 -5.879 7.418 1.296 1.00 34.02 C ATOM 688 C TYR A 48 -4.599 7.748 2.091 1.00 21.33 C ATOM 689 O TYR A 48 -4.618 8.576 3.003 1.00 11.14 O ATOM 690 CB TYR A 48 -6.639 6.258 1.964 1.00 44.53 C ATOM 691 CG TYR A 48 -7.464 6.677 3.167 1.00 44.54 C ATOM 692 CD1 TYR A 48 -8.721 7.248 2.995 1.00 62.42 C ATOM 693 CD2 TYR A 48 -6.998 6.503 4.467 1.00 11.15 C ATOM 694 CE1 TYR A 48 -9.484 7.636 4.076 1.00 30.42 C ATOM 695 CE2 TYR A 48 -7.759 6.890 5.553 1.00 61.33 C ATOM 696 CZ TYR A 48 -9.002 7.453 5.351 1.00 72.42 C ATOM 697 OH TYR A 48 -9.768 7.839 6.430 1.00 45.42 O ATOM 0 H TYR A 48 -5.707 6.086 -0.322 1.00 61.20 H new ATOM 0 HA TYR A 48 -6.502 8.312 1.298 1.00 34.02 H new ATOM 0 HB2 TYR A 48 -7.296 5.795 1.228 1.00 44.53 H new ATOM 0 HB3 TYR A 48 -5.922 5.497 2.274 1.00 44.53 H new ATOM 0 HD1 TYR A 48 -9.106 7.390 1.996 1.00 62.42 H new ATOM 0 HD2 TYR A 48 -6.027 6.059 4.629 1.00 11.15 H new ATOM 0 HE1 TYR A 48 -10.456 8.082 3.922 1.00 30.42 H new ATOM 0 HE2 TYR A 48 -7.382 6.752 6.556 1.00 61.33 H new ATOM 0 HH TYR A 48 -9.498 7.329 7.222 1.00 45.42 H new ATOM 707 N LEU A 49 -3.491 7.100 1.730 1.00 60.13 N ATOM 708 CA LEU A 49 -2.202 7.314 2.405 1.00 5.20 C ATOM 709 C LEU A 49 -1.714 8.764 2.258 1.00 23.11 C ATOM 710 O LEU A 49 -1.310 9.396 3.237 1.00 20.30 O ATOM 711 CB LEU A 49 -1.146 6.347 1.850 1.00 32.44 C ATOM 712 CG LEU A 49 0.276 6.520 2.416 1.00 65.33 C ATOM 713 CD1 LEU A 49 0.276 6.376 3.934 1.00 4.11 C ATOM 714 CD2 LEU A 49 1.234 5.518 1.774 1.00 43.23 C ATOM 0 H LEU A 49 -3.456 6.419 0.971 1.00 60.13 H new ATOM 0 HA LEU A 49 -2.351 7.119 3.467 1.00 5.20 H new ATOM 0 HB2 LEU A 49 -1.475 5.326 2.047 1.00 32.44 H new ATOM 0 HB3 LEU A 49 -1.104 6.465 0.767 1.00 32.44 H new ATOM 0 HG LEU A 49 0.621 7.525 2.174 1.00 65.33 H new ATOM 0 HD11 LEU A 49 1.291 6.502 4.311 1.00 4.11 H new ATOM 0 HD12 LEU A 49 -0.371 7.136 4.372 1.00 4.11 H new ATOM 0 HD13 LEU A 49 -0.092 5.387 4.206 1.00 4.11 H new ATOM 0 HD21 LEU A 49 2.234 5.655 2.186 1.00 43.23 H new ATOM 0 HD22 LEU A 49 0.892 4.504 1.981 1.00 43.23 H new ATOM 0 HD23 LEU A 49 1.261 5.679 0.696 1.00 43.23 H new ATOM 726 N ASN A 50 -1.767 9.289 1.033 1.00 31.51 N ATOM 727 CA ASN A 50 -1.292 10.649 0.749 1.00 20.03 C ATOM 728 C ASN A 50 -2.103 11.712 1.518 1.00 72.45 C ATOM 729 O ASN A 50 -1.654 12.845 1.689 1.00 53.42 O ATOM 730 CB ASN A 50 -1.341 10.916 -0.761 1.00 64.43 C ATOM 731 CG ASN A 50 -0.767 12.272 -1.134 1.00 15.53 C ATOM 732 OD1 ASN A 50 -1.492 13.251 -1.280 1.00 72.20 O ATOM 733 ND2 ASN A 50 0.543 12.348 -1.262 1.00 71.14 N ATOM 0 H ASN A 50 -2.134 8.795 0.220 1.00 31.51 H new ATOM 0 HA ASN A 50 -0.260 10.723 1.091 1.00 20.03 H new ATOM 0 HB2 ASN A 50 -0.787 10.135 -1.282 1.00 64.43 H new ATOM 0 HB3 ASN A 50 -2.374 10.856 -1.103 1.00 64.43 H new ATOM 0 HD21 ASN A 50 0.982 13.240 -1.489 1.00 71.14 H new ATOM 0 HD22 ASN A 50 1.117 11.515 -1.134 1.00 71.14 H new ATOM 740 N LYS A 51 -3.296 11.340 1.983 1.00 72.44 N ATOM 741 CA LYS A 51 -4.108 12.235 2.817 1.00 12.43 C ATOM 742 C LYS A 51 -3.482 12.406 4.210 1.00 62.44 C ATOM 743 O LYS A 51 -3.441 13.510 4.756 1.00 2.24 O ATOM 744 CB LYS A 51 -5.536 11.697 2.970 1.00 34.42 C ATOM 745 CG LYS A 51 -6.274 11.498 1.649 1.00 1.41 C ATOM 746 CD LYS A 51 -7.725 11.079 1.871 1.00 64.13 C ATOM 747 CE LYS A 51 -8.520 12.161 2.593 1.00 2.24 C ATOM 748 NZ LYS A 51 -9.958 11.809 2.718 1.00 55.50 N ATOM 0 H LYS A 51 -3.722 10.432 1.799 1.00 72.44 H new ATOM 0 HA LYS A 51 -4.141 13.203 2.317 1.00 12.43 H new ATOM 0 HB2 LYS A 51 -5.499 10.745 3.500 1.00 34.42 H new ATOM 0 HB3 LYS A 51 -6.107 12.386 3.592 1.00 34.42 H new ATOM 0 HG2 LYS A 51 -6.246 12.423 1.074 1.00 1.41 H new ATOM 0 HG3 LYS A 51 -5.762 10.739 1.057 1.00 1.41 H new ATOM 0 HD2 LYS A 51 -8.193 10.864 0.910 1.00 64.13 H new ATOM 0 HD3 LYS A 51 -7.753 10.158 2.453 1.00 64.13 H new ATOM 0 HE2 LYS A 51 -8.098 12.319 3.586 1.00 2.24 H new ATOM 0 HE3 LYS A 51 -8.423 13.103 2.053 1.00 2.24 H new ATOM 0 HZ1 LYS A 51 -10.460 12.572 3.215 1.00 55.50 H new ATOM 0 HZ2 LYS A 51 -10.368 11.684 1.771 1.00 55.50 H new ATOM 0 HZ3 LYS A 51 -10.053 10.924 3.256 1.00 55.50 H new ATOM 762 N LEU A 52 -3.001 11.302 4.779 1.00 61.14 N ATOM 763 CA LEU A 52 -2.388 11.320 6.114 1.00 61.42 C ATOM 764 C LEU A 52 -0.935 11.818 6.054 1.00 75.40 C ATOM 765 O LEU A 52 -0.507 12.616 6.887 1.00 31.23 O ATOM 766 CB LEU A 52 -2.443 9.919 6.745 1.00 73.11 C ATOM 767 CG LEU A 52 -3.852 9.312 6.872 1.00 14.32 C ATOM 768 CD1 LEU A 52 -3.800 7.962 7.584 1.00 33.33 C ATOM 769 CD2 LEU A 52 -4.795 10.273 7.598 1.00 43.34 C ATOM 0 H LEU A 52 -3.022 10.382 4.340 1.00 61.14 H new ATOM 0 HA LEU A 52 -2.957 12.012 6.735 1.00 61.42 H new ATOM 0 HB2 LEU A 52 -1.827 9.245 6.149 1.00 73.11 H new ATOM 0 HB3 LEU A 52 -1.995 9.967 7.737 1.00 73.11 H new ATOM 0 HG LEU A 52 -4.242 9.150 5.867 1.00 14.32 H new ATOM 0 HD11 LEU A 52 -4.807 7.553 7.662 1.00 33.33 H new ATOM 0 HD12 LEU A 52 -3.172 7.275 7.016 1.00 33.33 H new ATOM 0 HD13 LEU A 52 -3.383 8.093 8.583 1.00 33.33 H new ATOM 0 HD21 LEU A 52 -5.784 9.822 7.676 1.00 43.34 H new ATOM 0 HD22 LEU A 52 -4.409 10.476 8.597 1.00 43.34 H new ATOM 0 HD23 LEU A 52 -4.864 11.206 7.039 1.00 43.34 H new ATOM 781 N GLN A 53 -0.181 11.339 5.066 1.00 51.11 N ATOM 782 CA GLN A 53 1.212 11.763 4.866 1.00 24.13 C ATOM 783 C GLN A 53 1.447 12.266 3.430 1.00 33.52 C ATOM 784 O GLN A 53 1.897 11.515 2.564 1.00 55.01 O ATOM 785 CB GLN A 53 2.178 10.608 5.187 1.00 61.11 C ATOM 786 CG GLN A 53 2.213 10.209 6.660 1.00 52.35 C ATOM 787 CD GLN A 53 2.807 11.290 7.553 1.00 72.13 C ATOM 788 OE1 GLN A 53 4.012 11.326 7.786 1.00 72.35 O ATOM 789 NE2 GLN A 53 1.974 12.173 8.065 1.00 21.22 N ATOM 0 H GLN A 53 -0.510 10.653 4.386 1.00 51.11 H new ATOM 0 HA GLN A 53 1.407 12.590 5.549 1.00 24.13 H new ATOM 0 HB2 GLN A 53 1.896 9.738 4.594 1.00 61.11 H new ATOM 0 HB3 GLN A 53 3.183 10.893 4.876 1.00 61.11 H new ATOM 0 HG2 GLN A 53 1.200 9.985 6.995 1.00 52.35 H new ATOM 0 HG3 GLN A 53 2.795 9.294 6.770 1.00 52.35 H new ATOM 0 HE21 GLN A 53 0.978 12.117 7.853 1.00 21.22 H new ATOM 0 HE22 GLN A 53 2.325 12.913 8.673 1.00 21.22 H new ATOM 798 N PRO A 54 1.136 13.548 3.155 1.00 65.14 N ATOM 799 CA PRO A 54 1.321 14.138 1.815 1.00 50.25 C ATOM 800 C PRO A 54 2.799 14.295 1.426 1.00 31.43 C ATOM 801 O PRO A 54 3.138 14.348 0.241 1.00 35.24 O ATOM 802 CB PRO A 54 0.643 15.510 1.938 1.00 53.11 C ATOM 803 CG PRO A 54 0.706 15.835 3.392 1.00 4.54 C ATOM 804 CD PRO A 54 0.572 14.520 4.114 1.00 60.31 C ATOM 0 HA PRO A 54 0.901 13.504 1.034 1.00 50.25 H new ATOM 0 HB2 PRO A 54 1.160 16.262 1.342 1.00 53.11 H new ATOM 0 HB3 PRO A 54 -0.387 15.476 1.584 1.00 53.11 H new ATOM 0 HG2 PRO A 54 1.647 16.324 3.643 1.00 4.54 H new ATOM 0 HG3 PRO A 54 -0.094 16.519 3.675 1.00 4.54 H new ATOM 0 HD2 PRO A 54 1.120 14.520 5.056 1.00 60.31 H new ATOM 0 HD3 PRO A 54 -0.468 14.295 4.351 1.00 60.31 H new ATOM 812 N ASP A 55 3.674 14.363 2.427 1.00 43.34 N ATOM 813 CA ASP A 55 5.114 14.518 2.197 1.00 51.25 C ATOM 814 C ASP A 55 5.774 13.159 1.884 1.00 21.30 C ATOM 815 O ASP A 55 6.894 13.098 1.375 1.00 11.24 O ATOM 816 CB ASP A 55 5.759 15.162 3.432 1.00 61.43 C ATOM 817 CG ASP A 55 7.197 15.590 3.200 1.00 61.52 C ATOM 818 OD1 ASP A 55 7.427 16.453 2.327 1.00 65.42 O ATOM 819 OD2 ASP A 55 8.099 15.097 3.914 1.00 61.03 O ATOM 0 H ASP A 55 3.412 14.313 3.411 1.00 43.34 H new ATOM 0 HA ASP A 55 5.267 15.164 1.333 1.00 51.25 H new ATOM 0 HB2 ASP A 55 5.172 16.031 3.730 1.00 61.43 H new ATOM 0 HB3 ASP A 55 5.726 14.456 4.261 1.00 61.43 H new ATOM 824 N PHE A 56 5.050 12.076 2.169 1.00 14.20 N ATOM 825 CA PHE A 56 5.576 10.717 2.003 1.00 24.00 C ATOM 826 C PHE A 56 5.392 10.212 0.560 1.00 74.52 C ATOM 827 O PHE A 56 4.306 9.778 0.170 1.00 23.31 O ATOM 828 CB PHE A 56 4.881 9.771 2.996 1.00 53.12 C ATOM 829 CG PHE A 56 5.342 8.332 2.925 1.00 43.44 C ATOM 830 CD1 PHE A 56 6.502 7.928 3.572 1.00 35.10 C ATOM 831 CD2 PHE A 56 4.610 7.385 2.221 1.00 12.42 C ATOM 832 CE1 PHE A 56 6.918 6.611 3.514 1.00 5.11 C ATOM 833 CE2 PHE A 56 5.026 6.068 2.160 1.00 55.11 C ATOM 834 CZ PHE A 56 6.181 5.681 2.809 1.00 73.41 C ATOM 0 H PHE A 56 4.092 12.112 2.518 1.00 14.20 H new ATOM 0 HA PHE A 56 6.646 10.736 2.208 1.00 24.00 H new ATOM 0 HB2 PHE A 56 5.047 10.142 4.007 1.00 53.12 H new ATOM 0 HB3 PHE A 56 3.806 9.803 2.817 1.00 53.12 H new ATOM 0 HD1 PHE A 56 7.085 8.649 4.126 1.00 35.10 H new ATOM 0 HD2 PHE A 56 3.703 7.681 1.714 1.00 12.42 H new ATOM 0 HE1 PHE A 56 7.822 6.309 4.022 1.00 5.11 H new ATOM 0 HE2 PHE A 56 4.448 5.343 1.606 1.00 55.11 H new ATOM 0 HZ PHE A 56 6.507 4.652 2.765 1.00 73.41 H new ATOM 844 N ASP A 57 6.456 10.292 -0.237 1.00 43.02 N ATOM 845 CA ASP A 57 6.444 9.752 -1.600 1.00 22.31 C ATOM 846 C ASP A 57 7.649 8.819 -1.831 1.00 35.22 C ATOM 847 O ASP A 57 8.753 9.085 -1.348 1.00 75.21 O ATOM 848 CB ASP A 57 6.428 10.886 -2.627 1.00 14.52 C ATOM 849 CG ASP A 57 6.163 10.377 -4.035 1.00 43.20 C ATOM 850 OD1 ASP A 57 5.019 9.954 -4.314 1.00 13.02 O ATOM 851 OD2 ASP A 57 7.095 10.377 -4.859 1.00 23.14 O ATOM 0 H ASP A 57 7.338 10.725 0.035 1.00 43.02 H new ATOM 0 HA ASP A 57 5.535 9.164 -1.727 1.00 22.31 H new ATOM 0 HB2 ASP A 57 5.662 11.611 -2.354 1.00 14.52 H new ATOM 0 HB3 ASP A 57 7.384 11.409 -2.605 1.00 14.52 H new ATOM 856 N SER A 58 7.423 7.733 -2.575 1.00 34.53 N ATOM 857 CA SER A 58 8.440 6.687 -2.800 1.00 31.52 C ATOM 858 C SER A 58 9.781 7.236 -3.327 1.00 55.03 C ATOM 859 O SER A 58 10.842 6.672 -3.039 1.00 4.00 O ATOM 860 CB SER A 58 7.908 5.636 -3.783 1.00 14.35 C ATOM 861 OG SER A 58 7.640 6.207 -5.055 1.00 15.54 O ATOM 0 H SER A 58 6.534 7.549 -3.040 1.00 34.53 H new ATOM 0 HA SER A 58 8.635 6.241 -1.825 1.00 31.52 H new ATOM 0 HB2 SER A 58 8.637 4.833 -3.889 1.00 14.35 H new ATOM 0 HB3 SER A 58 6.997 5.190 -3.383 1.00 14.35 H new ATOM 0 HG SER A 58 8.464 6.225 -5.586 1.00 15.54 H new ATOM 867 N ARG A 59 9.739 8.328 -4.094 1.00 41.11 N ATOM 868 CA ARG A 59 10.959 8.918 -4.676 1.00 74.03 C ATOM 869 C ARG A 59 11.995 9.284 -3.599 1.00 10.34 C ATOM 870 O ARG A 59 13.202 9.204 -3.830 1.00 61.22 O ATOM 871 CB ARG A 59 10.616 10.165 -5.500 1.00 75.21 C ATOM 872 CG ARG A 59 9.595 9.915 -6.605 1.00 31.45 C ATOM 873 CD ARG A 59 10.082 8.898 -7.631 1.00 30.24 C ATOM 874 NE ARG A 59 9.051 8.598 -8.624 1.00 55.22 N ATOM 875 CZ ARG A 59 9.203 8.743 -9.911 1.00 23.21 C ATOM 876 NH1 ARG A 59 10.328 9.157 -10.400 1.00 54.45 N ATOM 877 NH2 ARG A 59 8.224 8.466 -10.713 1.00 62.32 N ATOM 0 H ARG A 59 8.879 8.824 -4.329 1.00 41.11 H new ATOM 0 HA ARG A 59 11.398 8.160 -5.325 1.00 74.03 H new ATOM 0 HB2 ARG A 59 10.232 10.936 -4.832 1.00 75.21 H new ATOM 0 HB3 ARG A 59 11.530 10.557 -5.946 1.00 75.21 H new ATOM 0 HG2 ARG A 59 8.664 9.562 -6.162 1.00 31.45 H new ATOM 0 HG3 ARG A 59 9.372 10.856 -7.108 1.00 31.45 H new ATOM 0 HD2 ARG A 59 10.970 9.283 -8.133 1.00 30.24 H new ATOM 0 HD3 ARG A 59 10.376 7.980 -7.123 1.00 30.24 H new ATOM 0 HE ARG A 59 8.153 8.252 -8.287 1.00 55.22 H new ATOM 0 HH11 ARG A 59 11.106 9.373 -9.777 1.00 54.45 H new ATOM 0 HH12 ARG A 59 10.436 9.267 -11.408 1.00 54.45 H new ATOM 0 HH21 ARG A 59 7.335 8.135 -10.338 1.00 62.32 H new ATOM 0 HH22 ARG A 59 8.342 8.579 -11.720 1.00 62.32 H new ATOM 891 N LEU A 60 11.517 9.666 -2.415 1.00 41.25 N ATOM 892 CA LEU A 60 12.401 10.044 -1.299 1.00 1.14 C ATOM 893 C LEU A 60 13.251 8.858 -0.811 1.00 15.03 C ATOM 894 O LEU A 60 14.276 9.044 -0.152 1.00 33.51 O ATOM 895 CB LEU A 60 11.575 10.605 -0.133 1.00 75.52 C ATOM 896 CG LEU A 60 10.748 11.860 -0.454 1.00 73.20 C ATOM 897 CD1 LEU A 60 9.955 12.312 0.769 1.00 1.51 C ATOM 898 CD2 LEU A 60 11.647 12.986 -0.966 1.00 32.25 C ATOM 0 H LEU A 60 10.522 9.724 -2.198 1.00 41.25 H new ATOM 0 HA LEU A 60 13.080 10.812 -1.669 1.00 1.14 H new ATOM 0 HB2 LEU A 60 10.899 9.826 0.219 1.00 75.52 H new ATOM 0 HB3 LEU A 60 12.251 10.837 0.690 1.00 75.52 H new ATOM 0 HG LEU A 60 10.040 11.608 -1.243 1.00 73.20 H new ATOM 0 HD11 LEU A 60 9.377 13.202 0.519 1.00 1.51 H new ATOM 0 HD12 LEU A 60 9.279 11.515 1.079 1.00 1.51 H new ATOM 0 HD13 LEU A 60 10.642 12.542 1.583 1.00 1.51 H new ATOM 0 HD21 LEU A 60 11.040 13.864 -1.187 1.00 32.25 H new ATOM 0 HD22 LEU A 60 12.385 13.237 -0.204 1.00 32.25 H new ATOM 0 HD23 LEU A 60 12.157 12.660 -1.872 1.00 32.25 H new ATOM 910 N TYR A 61 12.812 7.640 -1.136 1.00 71.10 N ATOM 911 CA TYR A 61 13.525 6.416 -0.744 1.00 22.31 C ATOM 912 C TYR A 61 14.243 5.769 -1.943 1.00 71.51 C ATOM 913 O TYR A 61 14.785 4.667 -1.836 1.00 11.13 O ATOM 914 CB TYR A 61 12.539 5.415 -0.122 1.00 33.13 C ATOM 915 CG TYR A 61 11.868 5.926 1.138 1.00 63.23 C ATOM 916 CD1 TYR A 61 10.721 6.713 1.070 1.00 54.00 C ATOM 917 CD2 TYR A 61 12.389 5.633 2.393 1.00 41.32 C ATOM 918 CE1 TYR A 61 10.117 7.189 2.216 1.00 65.12 C ATOM 919 CE2 TYR A 61 11.785 6.101 3.541 1.00 13.42 C ATOM 920 CZ TYR A 61 10.653 6.880 3.447 1.00 71.12 C ATOM 921 OH TYR A 61 10.058 7.359 4.591 1.00 64.44 O ATOM 0 H TYR A 61 11.961 7.472 -1.673 1.00 71.10 H new ATOM 0 HA TYR A 61 14.282 6.690 -0.010 1.00 22.31 H new ATOM 0 HB2 TYR A 61 11.773 5.168 -0.857 1.00 33.13 H new ATOM 0 HB3 TYR A 61 13.069 4.491 0.108 1.00 33.13 H new ATOM 0 HD1 TYR A 61 10.298 6.954 0.106 1.00 54.00 H new ATOM 0 HD2 TYR A 61 13.281 5.029 2.470 1.00 41.32 H new ATOM 0 HE1 TYR A 61 9.229 7.800 2.148 1.00 65.12 H new ATOM 0 HE2 TYR A 61 12.198 5.858 4.509 1.00 13.42 H new ATOM 0 HH TYR A 61 9.159 7.687 4.380 1.00 64.44 H new ATOM 931 N GLY A 62 14.242 6.460 -3.082 1.00 11.33 N ATOM 932 CA GLY A 62 14.894 5.942 -4.282 1.00 22.51 C ATOM 933 C GLY A 62 14.037 4.944 -5.058 1.00 75.23 C ATOM 934 O GLY A 62 14.563 4.099 -5.789 1.00 64.25 O ATOM 0 H GLY A 62 13.801 7.372 -3.198 1.00 11.33 H new ATOM 0 HA2 GLY A 62 15.149 6.776 -4.936 1.00 22.51 H new ATOM 0 HA3 GLY A 62 15.830 5.462 -3.999 1.00 22.51 H new ATOM 938 N TYR A 63 12.717 5.032 -4.902 1.00 3.04 N ATOM 939 CA TYR A 63 11.785 4.165 -5.637 1.00 22.11 C ATOM 940 C TYR A 63 10.976 4.967 -6.663 1.00 13.23 C ATOM 941 O TYR A 63 10.592 6.107 -6.409 1.00 12.20 O ATOM 942 CB TYR A 63 10.839 3.439 -4.670 1.00 43.11 C ATOM 943 CG TYR A 63 11.540 2.419 -3.792 1.00 53.51 C ATOM 944 CD1 TYR A 63 12.195 2.807 -2.630 1.00 2.10 C ATOM 945 CD2 TYR A 63 11.552 1.072 -4.133 1.00 0.13 C ATOM 946 CE1 TYR A 63 12.838 1.882 -1.832 1.00 61.21 C ATOM 947 CE2 TYR A 63 12.193 0.140 -3.339 1.00 34.24 C ATOM 948 CZ TYR A 63 12.836 0.552 -2.189 1.00 42.22 C ATOM 949 OH TYR A 63 13.475 -0.365 -1.388 1.00 51.42 O ATOM 0 H TYR A 63 12.264 5.695 -4.273 1.00 3.04 H new ATOM 0 HA TYR A 63 12.377 3.422 -6.172 1.00 22.11 H new ATOM 0 HB2 TYR A 63 10.345 4.175 -4.036 1.00 43.11 H new ATOM 0 HB3 TYR A 63 10.059 2.938 -5.244 1.00 43.11 H new ATOM 0 HD1 TYR A 63 12.201 3.849 -2.346 1.00 2.10 H new ATOM 0 HD2 TYR A 63 11.052 0.748 -5.034 1.00 0.13 H new ATOM 0 HE1 TYR A 63 13.341 2.200 -0.931 1.00 61.21 H new ATOM 0 HE2 TYR A 63 12.191 -0.904 -3.616 1.00 34.24 H new ATOM 0 HH TYR A 63 13.382 -1.260 -1.776 1.00 51.42 H new ATOM 959 N LYS A 64 10.715 4.358 -7.820 1.00 32.24 N ATOM 960 CA LYS A 64 10.006 5.037 -8.914 1.00 22.44 C ATOM 961 C LYS A 64 8.488 5.094 -8.679 1.00 11.52 C ATOM 962 O LYS A 64 7.785 5.891 -9.305 1.00 50.33 O ATOM 963 CB LYS A 64 10.301 4.334 -10.248 1.00 53.34 C ATOM 964 CG LYS A 64 11.779 4.323 -10.629 1.00 44.15 C ATOM 965 CD LYS A 64 12.344 5.739 -10.756 1.00 15.21 C ATOM 966 CE LYS A 64 13.803 5.737 -11.208 1.00 64.43 C ATOM 967 NZ LYS A 64 13.970 5.101 -12.542 1.00 53.24 N ATOM 0 H LYS A 64 10.982 3.396 -8.027 1.00 32.24 H new ATOM 0 HA LYS A 64 10.370 6.064 -8.948 1.00 22.44 H new ATOM 0 HB2 LYS A 64 9.943 3.306 -10.192 1.00 53.34 H new ATOM 0 HB3 LYS A 64 9.736 4.826 -11.039 1.00 53.34 H new ATOM 0 HG2 LYS A 64 12.344 3.772 -9.877 1.00 44.15 H new ATOM 0 HG3 LYS A 64 11.907 3.795 -11.574 1.00 44.15 H new ATOM 0 HD2 LYS A 64 11.745 6.305 -11.469 1.00 15.21 H new ATOM 0 HD3 LYS A 64 12.263 6.249 -9.796 1.00 15.21 H new ATOM 0 HE2 LYS A 64 14.173 6.762 -11.246 1.00 64.43 H new ATOM 0 HE3 LYS A 64 14.410 5.206 -10.474 1.00 64.43 H new ATOM 0 HZ1 LYS A 64 14.913 5.325 -12.918 1.00 53.24 H new ATOM 0 HZ2 LYS A 64 13.870 4.070 -12.450 1.00 53.24 H new ATOM 0 HZ3 LYS A 64 13.243 5.462 -13.192 1.00 53.24 H new ATOM 981 N LYS A 65 7.985 4.247 -7.784 1.00 22.00 N ATOM 982 CA LYS A 65 6.545 4.181 -7.513 1.00 60.30 C ATOM 983 C LYS A 65 6.250 3.534 -6.149 1.00 33.23 C ATOM 984 O LYS A 65 6.970 2.635 -5.706 1.00 44.22 O ATOM 985 CB LYS A 65 5.833 3.407 -8.636 1.00 13.30 C ATOM 986 CG LYS A 65 6.423 2.025 -8.903 1.00 24.43 C ATOM 987 CD LYS A 65 5.720 1.324 -10.064 1.00 52.00 C ATOM 988 CE LYS A 65 6.345 -0.034 -10.365 1.00 42.03 C ATOM 989 NZ LYS A 65 5.644 -0.745 -11.466 1.00 24.23 N ATOM 0 H LYS A 65 8.548 3.598 -7.234 1.00 22.00 H new ATOM 0 HA LYS A 65 6.165 5.202 -7.481 1.00 60.30 H new ATOM 0 HB2 LYS A 65 4.780 3.298 -8.378 1.00 13.30 H new ATOM 0 HB3 LYS A 65 5.877 3.994 -9.553 1.00 13.30 H new ATOM 0 HG2 LYS A 65 7.486 2.120 -9.125 1.00 24.43 H new ATOM 0 HG3 LYS A 65 6.339 1.414 -8.004 1.00 24.43 H new ATOM 0 HD2 LYS A 65 4.665 1.194 -9.825 1.00 52.00 H new ATOM 0 HD3 LYS A 65 5.770 1.953 -10.953 1.00 52.00 H new ATOM 0 HE2 LYS A 65 7.393 0.102 -10.632 1.00 42.03 H new ATOM 0 HE3 LYS A 65 6.323 -0.649 -9.466 1.00 42.03 H new ATOM 0 HZ1 LYS A 65 6.104 -1.662 -11.635 1.00 24.23 H new ATOM 0 HZ2 LYS A 65 4.650 -0.899 -11.202 1.00 24.23 H new ATOM 0 HZ3 LYS A 65 5.687 -0.171 -12.332 1.00 24.23 H new ATOM 1003 N LEU A 66 5.178 3.996 -5.495 1.00 53.20 N ATOM 1004 CA LEU A 66 4.788 3.502 -4.166 1.00 72.22 C ATOM 1005 C LEU A 66 4.625 1.973 -4.142 1.00 12.04 C ATOM 1006 O LEU A 66 5.046 1.311 -3.191 1.00 42.12 O ATOM 1007 CB LEU A 66 3.477 4.173 -3.719 1.00 61.54 C ATOM 1008 CG LEU A 66 2.961 3.760 -2.326 1.00 70.44 C ATOM 1009 CD1 LEU A 66 3.961 4.148 -1.238 1.00 44.00 C ATOM 1010 CD2 LEU A 66 1.589 4.374 -2.050 1.00 73.31 C ATOM 0 H LEU A 66 4.560 4.717 -5.867 1.00 53.20 H new ATOM 0 HA LEU A 66 5.590 3.759 -3.474 1.00 72.22 H new ATOM 0 HB2 LEU A 66 3.621 5.253 -3.728 1.00 61.54 H new ATOM 0 HB3 LEU A 66 2.705 3.948 -4.455 1.00 61.54 H new ATOM 0 HG LEU A 66 2.854 2.675 -2.313 1.00 70.44 H new ATOM 0 HD11 LEU A 66 3.575 3.846 -0.264 1.00 44.00 H new ATOM 0 HD12 LEU A 66 4.912 3.647 -1.422 1.00 44.00 H new ATOM 0 HD13 LEU A 66 4.111 5.228 -1.250 1.00 44.00 H new ATOM 0 HD21 LEU A 66 1.246 4.068 -1.062 1.00 73.31 H new ATOM 0 HD22 LEU A 66 1.662 5.461 -2.089 1.00 73.31 H new ATOM 0 HD23 LEU A 66 0.879 4.031 -2.803 1.00 73.31 H new ATOM 1022 N SER A 67 4.016 1.421 -5.192 1.00 30.05 N ATOM 1023 CA SER A 67 3.795 -0.030 -5.290 1.00 11.51 C ATOM 1024 C SER A 67 5.100 -0.812 -5.106 1.00 3.24 C ATOM 1025 O SER A 67 5.171 -1.731 -4.286 1.00 73.21 O ATOM 1026 CB SER A 67 3.174 -0.391 -6.647 1.00 34.03 C ATOM 1027 OG SER A 67 4.051 -0.086 -7.721 1.00 14.02 O ATOM 0 H SER A 67 3.666 1.953 -5.989 1.00 30.05 H new ATOM 0 HA SER A 67 3.109 -0.307 -4.489 1.00 11.51 H new ATOM 0 HB2 SER A 67 2.931 -1.453 -6.665 1.00 34.03 H new ATOM 0 HB3 SER A 67 2.238 0.152 -6.775 1.00 34.03 H new ATOM 0 HG SER A 67 3.626 -0.330 -8.570 1.00 14.02 H new ATOM 1033 N ASP A 68 6.132 -0.428 -5.857 1.00 1.03 N ATOM 1034 CA ASP A 68 7.425 -1.116 -5.812 1.00 71.13 C ATOM 1035 C ASP A 68 8.096 -0.941 -4.435 1.00 4.41 C ATOM 1036 O ASP A 68 8.800 -1.831 -3.960 1.00 14.00 O ATOM 1037 CB ASP A 68 8.330 -0.602 -6.938 1.00 21.02 C ATOM 1038 CG ASP A 68 9.569 -1.460 -7.136 1.00 1.31 C ATOM 1039 OD1 ASP A 68 9.427 -2.697 -7.279 1.00 34.41 O ATOM 1040 OD2 ASP A 68 10.681 -0.903 -7.200 1.00 72.45 O ATOM 0 H ASP A 68 6.099 0.358 -6.506 1.00 1.03 H new ATOM 0 HA ASP A 68 7.259 -2.183 -5.961 1.00 71.13 H new ATOM 0 HB2 ASP A 68 7.763 -0.571 -7.868 1.00 21.02 H new ATOM 0 HB3 ASP A 68 8.634 0.421 -6.716 1.00 21.02 H new ATOM 1045 N LEU A 69 7.852 0.204 -3.795 1.00 72.43 N ATOM 1046 CA LEU A 69 8.330 0.450 -2.426 1.00 43.12 C ATOM 1047 C LEU A 69 7.724 -0.556 -1.431 1.00 14.03 C ATOM 1048 O LEU A 69 8.442 -1.215 -0.677 1.00 22.22 O ATOM 1049 CB LEU A 69 7.977 1.882 -1.986 1.00 51.30 C ATOM 1050 CG LEU A 69 8.253 2.210 -0.503 1.00 53.42 C ATOM 1051 CD1 LEU A 69 9.745 2.145 -0.195 1.00 1.32 C ATOM 1052 CD2 LEU A 69 7.681 3.576 -0.133 1.00 40.34 C ATOM 0 H LEU A 69 7.326 0.978 -4.200 1.00 72.43 H new ATOM 0 HA LEU A 69 9.413 0.325 -2.428 1.00 43.12 H new ATOM 0 HB2 LEU A 69 8.538 2.582 -2.605 1.00 51.30 H new ATOM 0 HB3 LEU A 69 6.920 2.055 -2.187 1.00 51.30 H new ATOM 0 HG LEU A 69 7.752 1.456 0.105 1.00 53.42 H new ATOM 0 HD11 LEU A 69 9.910 2.380 0.856 1.00 1.32 H new ATOM 0 HD12 LEU A 69 10.116 1.142 -0.405 1.00 1.32 H new ATOM 0 HD13 LEU A 69 10.276 2.866 -0.816 1.00 1.32 H new ATOM 0 HD21 LEU A 69 7.888 3.785 0.917 1.00 40.34 H new ATOM 0 HD22 LEU A 69 8.143 4.344 -0.754 1.00 40.34 H new ATOM 0 HD23 LEU A 69 6.603 3.576 -0.297 1.00 40.34 H new ATOM 1064 N VAL A 70 6.396 -0.668 -1.442 1.00 60.32 N ATOM 1065 CA VAL A 70 5.678 -1.535 -0.499 1.00 12.13 C ATOM 1066 C VAL A 70 6.071 -3.015 -0.670 1.00 73.11 C ATOM 1067 O VAL A 70 6.331 -3.712 0.309 1.00 53.21 O ATOM 1068 CB VAL A 70 4.140 -1.383 -0.651 1.00 20.31 C ATOM 1069 CG1 VAL A 70 3.401 -2.201 0.406 1.00 50.44 C ATOM 1070 CG2 VAL A 70 3.732 0.089 -0.573 1.00 11.14 C ATOM 0 H VAL A 70 5.791 -0.169 -2.094 1.00 60.32 H new ATOM 0 HA VAL A 70 5.968 -1.215 0.502 1.00 12.13 H new ATOM 0 HB VAL A 70 3.860 -1.767 -1.632 1.00 20.31 H new ATOM 0 HG11 VAL A 70 2.326 -2.076 0.277 1.00 50.44 H new ATOM 0 HG12 VAL A 70 3.660 -3.254 0.298 1.00 50.44 H new ATOM 0 HG13 VAL A 70 3.689 -1.857 1.399 1.00 50.44 H new ATOM 0 HG21 VAL A 70 2.651 0.173 -0.682 1.00 11.14 H new ATOM 0 HG22 VAL A 70 4.033 0.499 0.391 1.00 11.14 H new ATOM 0 HG23 VAL A 70 4.221 0.645 -1.373 1.00 11.14 H new ATOM 1080 N LYS A 71 6.126 -3.490 -1.919 1.00 13.32 N ATOM 1081 CA LYS A 71 6.522 -4.882 -2.200 1.00 2.33 C ATOM 1082 C LYS A 71 8.001 -5.140 -1.865 1.00 3.44 C ATOM 1083 O LYS A 71 8.417 -6.286 -1.685 1.00 73.14 O ATOM 1084 CB LYS A 71 6.241 -5.250 -3.667 1.00 75.24 C ATOM 1085 CG LYS A 71 6.844 -4.279 -4.671 1.00 3.10 C ATOM 1086 CD LYS A 71 6.548 -4.670 -6.120 1.00 31.22 C ATOM 1087 CE LYS A 71 7.451 -5.801 -6.601 1.00 2.21 C ATOM 1088 NZ LYS A 71 8.890 -5.414 -6.555 1.00 64.43 N ATOM 0 H LYS A 71 5.904 -2.939 -2.748 1.00 13.32 H new ATOM 0 HA LYS A 71 5.917 -5.519 -1.554 1.00 2.33 H new ATOM 0 HB2 LYS A 71 6.631 -6.249 -3.862 1.00 75.24 H new ATOM 0 HB3 LYS A 71 5.163 -5.294 -3.821 1.00 75.24 H new ATOM 0 HG2 LYS A 71 6.455 -3.279 -4.482 1.00 3.10 H new ATOM 0 HG3 LYS A 71 7.923 -4.234 -4.524 1.00 3.10 H new ATOM 0 HD2 LYS A 71 5.505 -4.976 -6.207 1.00 31.22 H new ATOM 0 HD3 LYS A 71 6.680 -3.801 -6.765 1.00 31.22 H new ATOM 0 HE2 LYS A 71 7.291 -6.683 -5.981 1.00 2.21 H new ATOM 0 HE3 LYS A 71 7.180 -6.075 -7.621 1.00 2.21 H new ATOM 0 HZ1 LYS A 71 9.430 -6.004 -7.220 1.00 64.43 H new ATOM 0 HZ2 LYS A 71 8.989 -4.413 -6.821 1.00 64.43 H new ATOM 0 HZ3 LYS A 71 9.257 -5.554 -5.592 1.00 64.43 H new ATOM 1102 N ALA A 72 8.799 -4.076 -1.812 1.00 41.54 N ATOM 1103 CA ALA A 72 10.210 -4.185 -1.426 1.00 73.32 C ATOM 1104 C ALA A 72 10.371 -4.256 0.103 1.00 33.34 C ATOM 1105 O ALA A 72 11.270 -4.932 0.615 1.00 50.31 O ATOM 1106 CB ALA A 72 11.003 -3.008 -1.984 1.00 74.43 C ATOM 0 H ALA A 72 8.496 -3.127 -2.031 1.00 41.54 H new ATOM 0 HA ALA A 72 10.600 -5.111 -1.848 1.00 73.32 H new ATOM 0 HB1 ALA A 72 12.048 -3.102 -1.690 1.00 74.43 H new ATOM 0 HB2 ALA A 72 10.931 -3.004 -3.072 1.00 74.43 H new ATOM 0 HB3 ALA A 72 10.597 -2.076 -1.590 1.00 74.43 H new ATOM 1112 N ARG A 73 9.495 -3.558 0.827 1.00 40.31 N ATOM 1113 CA ARG A 73 9.550 -3.521 2.296 1.00 2.33 C ATOM 1114 C ARG A 73 8.693 -4.637 2.928 1.00 71.23 C ATOM 1115 O ARG A 73 7.679 -4.368 3.579 1.00 43.25 O ATOM 1116 CB ARG A 73 9.088 -2.149 2.813 1.00 4.21 C ATOM 1117 CG ARG A 73 9.865 -0.966 2.235 1.00 23.23 C ATOM 1118 CD ARG A 73 11.358 -1.053 2.535 1.00 23.35 C ATOM 1119 NE ARG A 73 12.085 0.111 2.029 1.00 71.10 N ATOM 1120 CZ ARG A 73 13.355 0.108 1.717 1.00 11.54 C ATOM 1121 NH1 ARG A 73 14.058 -0.975 1.811 1.00 33.31 N ATOM 1122 NH2 ARG A 73 13.922 1.192 1.303 1.00 62.01 N ATOM 0 H ARG A 73 8.736 -3.009 0.423 1.00 40.31 H new ATOM 0 HA ARG A 73 10.586 -3.688 2.589 1.00 2.33 H new ATOM 0 HB2 ARG A 73 8.031 -2.023 2.580 1.00 4.21 H new ATOM 0 HB3 ARG A 73 9.179 -2.133 3.899 1.00 4.21 H new ATOM 0 HG2 ARG A 73 9.715 -0.928 1.156 1.00 23.23 H new ATOM 0 HG3 ARG A 73 9.468 -0.038 2.645 1.00 23.23 H new ATOM 0 HD2 ARG A 73 11.508 -1.135 3.612 1.00 23.35 H new ATOM 0 HD3 ARG A 73 11.766 -1.959 2.087 1.00 23.35 H new ATOM 0 HE ARG A 73 11.568 0.982 1.912 1.00 71.10 H new ATOM 0 HH11 ARG A 73 13.622 -1.840 2.132 1.00 33.31 H new ATOM 0 HH12 ARG A 73 15.048 -0.964 1.564 1.00 33.31 H new ATOM 0 HH21 ARG A 73 13.379 2.052 1.219 1.00 62.01 H new ATOM 0 HH22 ARG A 73 14.913 1.189 1.060 1.00 62.01 H new ATOM 1136 N THR A 74 9.120 -5.889 2.748 1.00 70.53 N ATOM 1137 CA THR A 74 8.379 -7.049 3.275 1.00 34.53 C ATOM 1138 C THR A 74 8.492 -7.156 4.804 1.00 13.44 C ATOM 1139 O THR A 74 7.810 -7.963 5.438 1.00 31.22 O ATOM 1140 CB THR A 74 8.865 -8.378 2.648 1.00 50.33 C ATOM 1141 OG1 THR A 74 10.222 -8.653 3.040 1.00 72.23 O ATOM 1142 CG2 THR A 74 8.774 -8.330 1.123 1.00 11.32 C ATOM 0 H THR A 74 9.973 -6.130 2.243 1.00 70.53 H new ATOM 0 HA THR A 74 7.337 -6.884 3.003 1.00 34.53 H new ATOM 0 HB THR A 74 8.216 -9.174 3.013 1.00 50.33 H new ATOM 0 HG1 THR A 74 10.514 -9.497 2.637 1.00 72.23 H new ATOM 0 HG21 THR A 74 9.121 -9.276 0.708 1.00 11.32 H new ATOM 0 HG22 THR A 74 7.739 -8.161 0.825 1.00 11.32 H new ATOM 0 HG23 THR A 74 9.397 -7.518 0.747 1.00 11.32 H new ATOM 1150 N ASP A 75 9.373 -6.351 5.390 1.00 3.14 N ATOM 1151 CA ASP A 75 9.521 -6.289 6.846 1.00 73.41 C ATOM 1152 C ASP A 75 8.306 -5.609 7.501 1.00 73.25 C ATOM 1153 O ASP A 75 7.739 -6.119 8.470 1.00 14.30 O ATOM 1154 CB ASP A 75 10.807 -5.531 7.203 1.00 22.23 C ATOM 1155 CG ASP A 75 11.017 -5.405 8.703 1.00 43.23 C ATOM 1156 OD1 ASP A 75 11.320 -6.426 9.354 1.00 73.44 O ATOM 1157 OD2 ASP A 75 10.872 -4.285 9.239 1.00 12.51 O ATOM 0 H ASP A 75 9.999 -5.729 4.879 1.00 3.14 H new ATOM 0 HA ASP A 75 9.581 -7.308 7.229 1.00 73.41 H new ATOM 0 HB2 ASP A 75 11.661 -6.046 6.763 1.00 22.23 H new ATOM 0 HB3 ASP A 75 10.772 -4.536 6.760 1.00 22.23 H new ATOM 1162 N LEU A 76 7.909 -4.464 6.950 1.00 44.23 N ATOM 1163 CA LEU A 76 6.818 -3.659 7.512 1.00 21.30 C ATOM 1164 C LEU A 76 5.440 -4.068 6.965 1.00 22.43 C ATOM 1165 O LEU A 76 4.454 -4.097 7.708 1.00 62.33 O ATOM 1166 CB LEU A 76 7.062 -2.172 7.210 1.00 55.05 C ATOM 1167 CG LEU A 76 8.295 -1.544 7.886 1.00 63.54 C ATOM 1168 CD1 LEU A 76 8.536 -0.129 7.361 1.00 52.23 C ATOM 1169 CD2 LEU A 76 8.129 -1.529 9.404 1.00 30.10 C ATOM 0 H LEU A 76 8.328 -4.068 6.109 1.00 44.23 H new ATOM 0 HA LEU A 76 6.811 -3.835 8.588 1.00 21.30 H new ATOM 0 HB2 LEU A 76 7.162 -2.051 6.131 1.00 55.05 H new ATOM 0 HB3 LEU A 76 6.179 -1.609 7.513 1.00 55.05 H new ATOM 0 HG LEU A 76 9.164 -2.154 7.641 1.00 63.54 H new ATOM 0 HD11 LEU A 76 9.411 0.297 7.851 1.00 52.23 H new ATOM 0 HD12 LEU A 76 8.704 -0.164 6.285 1.00 52.23 H new ATOM 0 HD13 LEU A 76 7.665 0.491 7.572 1.00 52.23 H new ATOM 0 HD21 LEU A 76 9.011 -1.081 9.862 1.00 30.10 H new ATOM 0 HD22 LEU A 76 7.247 -0.945 9.668 1.00 30.10 H new ATOM 0 HD23 LEU A 76 8.010 -2.550 9.767 1.00 30.10 H new ATOM 1181 N PHE A 77 5.368 -4.373 5.668 1.00 55.42 N ATOM 1182 CA PHE A 77 4.077 -4.625 5.005 1.00 24.14 C ATOM 1183 C PHE A 77 4.015 -6.030 4.379 1.00 75.25 C ATOM 1184 O PHE A 77 5.039 -6.606 4.012 1.00 24.22 O ATOM 1185 CB PHE A 77 3.840 -3.566 3.915 1.00 70.35 C ATOM 1186 CG PHE A 77 4.053 -2.147 4.390 1.00 72.40 C ATOM 1187 CD1 PHE A 77 3.390 -1.667 5.511 1.00 62.25 C ATOM 1188 CD2 PHE A 77 4.926 -1.297 3.719 1.00 72.44 C ATOM 1189 CE1 PHE A 77 3.596 -0.375 5.954 1.00 64.10 C ATOM 1190 CE2 PHE A 77 5.130 -0.003 4.159 1.00 35.40 C ATOM 1191 CZ PHE A 77 4.466 0.457 5.277 1.00 74.13 C ATOM 0 H PHE A 77 6.180 -4.452 5.055 1.00 55.42 H new ATOM 0 HA PHE A 77 3.298 -4.564 5.765 1.00 24.14 H new ATOM 0 HB2 PHE A 77 4.509 -3.764 3.077 1.00 70.35 H new ATOM 0 HB3 PHE A 77 2.821 -3.665 3.540 1.00 70.35 H new ATOM 0 HD1 PHE A 77 2.705 -2.311 6.043 1.00 62.25 H new ATOM 0 HD2 PHE A 77 5.450 -1.652 2.844 1.00 72.44 H new ATOM 0 HE1 PHE A 77 3.077 -0.015 6.830 1.00 64.10 H new ATOM 0 HE2 PHE A 77 5.809 0.648 3.628 1.00 35.40 H new ATOM 0 HZ PHE A 77 4.626 1.467 5.623 1.00 74.13 H new ATOM 1201 N VAL A 78 2.802 -6.575 4.271 1.00 10.33 N ATOM 1202 CA VAL A 78 2.576 -7.842 3.566 1.00 43.43 C ATOM 1203 C VAL A 78 1.924 -7.579 2.201 1.00 4.31 C ATOM 1204 O VAL A 78 0.807 -7.057 2.126 1.00 1.33 O ATOM 1205 CB VAL A 78 1.669 -8.801 4.381 1.00 22.31 C ATOM 1206 CG1 VAL A 78 1.456 -10.121 3.634 1.00 43.32 C ATOM 1207 CG2 VAL A 78 2.248 -9.052 5.772 1.00 43.31 C ATOM 0 H VAL A 78 1.958 -6.159 4.663 1.00 10.33 H new ATOM 0 HA VAL A 78 3.549 -8.316 3.433 1.00 43.43 H new ATOM 0 HB VAL A 78 0.698 -8.321 4.502 1.00 22.31 H new ATOM 0 HG11 VAL A 78 0.817 -10.775 4.227 1.00 43.32 H new ATOM 0 HG12 VAL A 78 0.981 -9.923 2.673 1.00 43.32 H new ATOM 0 HG13 VAL A 78 2.418 -10.606 3.470 1.00 43.32 H new ATOM 0 HG21 VAL A 78 1.593 -9.727 6.322 1.00 43.31 H new ATOM 0 HG22 VAL A 78 3.237 -9.501 5.679 1.00 43.31 H new ATOM 0 HG23 VAL A 78 2.328 -8.107 6.309 1.00 43.31 H new ATOM 1217 N THR A 79 2.619 -7.940 1.123 1.00 12.25 N ATOM 1218 CA THR A 79 2.120 -7.682 -0.237 1.00 3.52 C ATOM 1219 C THR A 79 1.860 -8.987 -0.987 1.00 3.22 C ATOM 1220 O THR A 79 2.738 -9.850 -1.069 1.00 13.41 O ATOM 1221 CB THR A 79 3.133 -6.838 -1.055 1.00 63.44 C ATOM 1222 OG1 THR A 79 4.305 -7.615 -1.366 1.00 70.13 O ATOM 1223 CG2 THR A 79 3.556 -5.601 -0.278 1.00 43.52 C ATOM 0 H THR A 79 3.524 -8.409 1.159 1.00 12.25 H new ATOM 0 HA THR A 79 1.186 -7.130 -0.130 1.00 3.52 H new ATOM 0 HB THR A 79 2.640 -6.535 -1.978 1.00 63.44 H new ATOM 0 HG1 THR A 79 4.073 -8.567 -1.376 1.00 70.13 H new ATOM 0 HG21 THR A 79 4.266 -5.024 -0.871 1.00 43.52 H new ATOM 0 HG22 THR A 79 2.680 -4.988 -0.064 1.00 43.52 H new ATOM 0 HG23 THR A 79 4.025 -5.902 0.659 1.00 43.52 H new ATOM 1231 N GLU A 80 0.662 -9.128 -1.554 1.00 62.44 N ATOM 1232 CA GLU A 80 0.301 -10.338 -2.306 1.00 35.31 C ATOM 1233 C GLU A 80 -0.647 -10.011 -3.471 1.00 64.44 C ATOM 1234 O GLU A 80 -1.534 -9.161 -3.357 1.00 21.00 O ATOM 1235 CB GLU A 80 -0.323 -11.397 -1.373 1.00 12.22 C ATOM 1236 CG GLU A 80 0.628 -11.878 -0.272 1.00 4.23 C ATOM 1237 CD GLU A 80 0.082 -13.035 0.549 1.00 21.45 C ATOM 1238 OE1 GLU A 80 0.157 -14.192 0.079 1.00 13.23 O ATOM 1239 OE2 GLU A 80 -0.391 -12.801 1.683 1.00 45.44 O ATOM 0 H GLU A 80 -0.075 -8.424 -1.509 1.00 62.44 H new ATOM 0 HA GLU A 80 1.217 -10.751 -2.729 1.00 35.31 H new ATOM 0 HB2 GLU A 80 -1.219 -10.981 -0.912 1.00 12.22 H new ATOM 0 HB3 GLU A 80 -0.639 -12.253 -1.969 1.00 12.22 H new ATOM 0 HG2 GLU A 80 1.571 -12.181 -0.727 1.00 4.23 H new ATOM 0 HG3 GLU A 80 0.848 -11.044 0.394 1.00 4.23 H new ATOM 1246 N GLU A 81 -0.451 -10.700 -4.590 1.00 52.02 N ATOM 1247 CA GLU A 81 -1.196 -10.431 -5.825 1.00 42.23 C ATOM 1248 C GLU A 81 -2.516 -11.220 -5.872 1.00 63.24 C ATOM 1249 O GLU A 81 -2.519 -12.453 -5.876 1.00 12.44 O ATOM 1250 CB GLU A 81 -0.319 -10.804 -7.029 1.00 63.11 C ATOM 1251 CG GLU A 81 1.000 -10.031 -7.100 1.00 63.42 C ATOM 1252 CD GLU A 81 1.967 -10.597 -8.133 1.00 4.03 C ATOM 1253 OE1 GLU A 81 1.679 -10.505 -9.343 1.00 44.50 O ATOM 1254 OE2 GLU A 81 3.024 -11.135 -7.731 1.00 62.33 O ATOM 0 H GLU A 81 0.225 -11.459 -4.672 1.00 52.02 H new ATOM 0 HA GLU A 81 -1.446 -9.370 -5.856 1.00 42.23 H new ATOM 0 HB2 GLU A 81 -0.101 -11.871 -6.990 1.00 63.11 H new ATOM 0 HB3 GLU A 81 -0.882 -10.626 -7.945 1.00 63.11 H new ATOM 0 HG2 GLU A 81 0.791 -8.988 -7.339 1.00 63.42 H new ATOM 0 HG3 GLU A 81 1.476 -10.044 -6.119 1.00 63.42 H new ATOM 1261 N ARG A 82 -3.636 -10.501 -5.919 1.00 4.31 N ATOM 1262 CA ARG A 82 -4.965 -11.124 -5.932 1.00 1.45 C ATOM 1263 C ARG A 82 -5.703 -10.804 -7.241 1.00 61.12 C ATOM 1264 O ARG A 82 -5.747 -9.655 -7.675 1.00 31.01 O ATOM 1265 CB ARG A 82 -5.794 -10.634 -4.734 1.00 44.21 C ATOM 1266 CG ARG A 82 -5.111 -10.815 -3.378 1.00 33.13 C ATOM 1267 CD ARG A 82 -4.955 -12.282 -2.996 1.00 61.23 C ATOM 1268 NE ARG A 82 -6.249 -12.953 -2.875 1.00 55.15 N ATOM 1269 CZ ARG A 82 -6.625 -13.658 -1.840 1.00 4.12 C ATOM 1270 NH1 ARG A 82 -5.846 -13.786 -0.808 1.00 44.30 N ATOM 1271 NH2 ARG A 82 -7.788 -14.221 -1.832 1.00 43.22 N ATOM 0 H ARG A 82 -3.653 -9.482 -5.949 1.00 4.31 H new ATOM 0 HA ARG A 82 -4.835 -12.204 -5.860 1.00 1.45 H new ATOM 0 HB2 ARG A 82 -6.023 -9.578 -4.874 1.00 44.21 H new ATOM 0 HB3 ARG A 82 -6.744 -11.167 -4.723 1.00 44.21 H new ATOM 0 HG2 ARG A 82 -4.129 -10.343 -3.403 1.00 33.13 H new ATOM 0 HG3 ARG A 82 -5.691 -10.303 -2.611 1.00 33.13 H new ATOM 0 HD2 ARG A 82 -4.351 -12.791 -3.747 1.00 61.23 H new ATOM 0 HD3 ARG A 82 -4.417 -12.356 -2.051 1.00 61.23 H new ATOM 0 HE ARG A 82 -6.904 -12.865 -3.652 1.00 55.15 H new ATOM 0 HH11 ARG A 82 -4.932 -13.334 -0.800 1.00 44.30 H new ATOM 0 HH12 ARG A 82 -6.149 -14.338 -0.006 1.00 44.30 H new ATOM 0 HH21 ARG A 82 -8.411 -14.115 -2.632 1.00 43.22 H new ATOM 0 HH22 ARG A 82 -8.083 -14.771 -1.025 1.00 43.22 H new ATOM 1285 N GLN A 83 -6.283 -11.822 -7.865 1.00 4.42 N ATOM 1286 CA GLN A 83 -6.972 -11.648 -9.147 1.00 75.12 C ATOM 1287 C GLN A 83 -8.389 -11.073 -8.961 1.00 60.12 C ATOM 1288 O GLN A 83 -9.105 -11.441 -8.029 1.00 75.54 O ATOM 1289 CB GLN A 83 -7.030 -12.979 -9.903 1.00 31.34 C ATOM 1290 CG GLN A 83 -7.550 -12.844 -11.333 1.00 11.10 C ATOM 1291 CD GLN A 83 -7.483 -14.145 -12.112 1.00 3.14 C ATOM 1292 OE1 GLN A 83 -6.486 -14.448 -12.757 1.00 41.50 O ATOM 1293 NE2 GLN A 83 -8.545 -14.923 -12.062 1.00 5.01 N ATOM 0 H GLN A 83 -6.292 -12.778 -7.508 1.00 4.42 H new ATOM 0 HA GLN A 83 -6.401 -10.929 -9.734 1.00 75.12 H new ATOM 0 HB2 GLN A 83 -6.033 -13.418 -9.927 1.00 31.34 H new ATOM 0 HB3 GLN A 83 -7.670 -13.671 -9.356 1.00 31.34 H new ATOM 0 HG2 GLN A 83 -8.582 -12.495 -11.307 1.00 11.10 H new ATOM 0 HG3 GLN A 83 -6.969 -12.084 -11.855 1.00 11.10 H new ATOM 0 HE21 GLN A 83 -9.359 -14.641 -11.515 1.00 5.01 H new ATOM 0 HE22 GLN A 83 -8.554 -15.808 -12.570 1.00 5.01 H new ATOM 1302 N VAL A 84 -8.782 -10.156 -9.844 1.00 20.43 N ATOM 1303 CA VAL A 84 -10.085 -9.483 -9.739 1.00 23.13 C ATOM 1304 C VAL A 84 -11.196 -10.268 -10.470 1.00 22.03 C ATOM 1305 O VAL A 84 -11.140 -10.451 -11.686 1.00 4.45 O ATOM 1306 CB VAL A 84 -10.015 -8.048 -10.320 1.00 72.21 C ATOM 1307 CG1 VAL A 84 -11.340 -7.314 -10.122 1.00 21.22 C ATOM 1308 CG2 VAL A 84 -8.857 -7.269 -9.696 1.00 20.43 C ATOM 0 H VAL A 84 -8.220 -9.859 -10.642 1.00 20.43 H new ATOM 0 HA VAL A 84 -10.330 -9.437 -8.678 1.00 23.13 H new ATOM 0 HB VAL A 84 -9.833 -8.123 -11.392 1.00 72.21 H new ATOM 0 HG11 VAL A 84 -11.265 -6.309 -10.538 1.00 21.22 H new ATOM 0 HG12 VAL A 84 -12.137 -7.858 -10.629 1.00 21.22 H new ATOM 0 HG13 VAL A 84 -11.565 -7.250 -9.057 1.00 21.22 H new ATOM 0 HG21 VAL A 84 -8.825 -6.264 -10.117 1.00 20.43 H new ATOM 0 HG22 VAL A 84 -9.000 -7.206 -8.617 1.00 20.43 H new ATOM 0 HG23 VAL A 84 -7.918 -7.781 -9.908 1.00 20.43 H new ATOM 1318 N PRO A 85 -12.226 -10.739 -9.731 1.00 3.51 N ATOM 1319 CA PRO A 85 -13.354 -11.496 -10.314 1.00 71.31 C ATOM 1320 C PRO A 85 -14.079 -10.723 -11.429 1.00 10.32 C ATOM 1321 O PRO A 85 -14.443 -9.555 -11.255 1.00 61.23 O ATOM 1322 CB PRO A 85 -14.290 -11.723 -9.117 1.00 33.13 C ATOM 1323 CG PRO A 85 -13.407 -11.608 -7.920 1.00 72.42 C ATOM 1324 CD PRO A 85 -12.371 -10.577 -8.273 1.00 63.12 C ATOM 0 HA PRO A 85 -13.017 -12.417 -10.790 1.00 71.31 H new ATOM 0 HB2 PRO A 85 -15.089 -10.982 -9.093 1.00 33.13 H new ATOM 0 HB3 PRO A 85 -14.765 -12.703 -9.166 1.00 33.13 H new ATOM 0 HG2 PRO A 85 -13.977 -11.305 -7.041 1.00 72.42 H new ATOM 0 HG3 PRO A 85 -12.942 -12.565 -7.684 1.00 72.42 H new ATOM 0 HD2 PRO A 85 -12.697 -9.571 -8.009 1.00 63.12 H new ATOM 0 HD3 PRO A 85 -11.430 -10.755 -7.752 1.00 63.12 H new ATOM 1332 N GLY A 86 -14.294 -11.377 -12.570 1.00 54.31 N ATOM 1333 CA GLY A 86 -14.902 -10.710 -13.722 1.00 51.23 C ATOM 1334 C GLY A 86 -13.868 -10.054 -14.633 1.00 33.45 C ATOM 1335 O GLY A 86 -14.113 -9.845 -15.824 1.00 61.01 O ATOM 0 H GLY A 86 -14.059 -12.358 -12.722 1.00 54.31 H new ATOM 0 HA2 GLY A 86 -15.478 -11.436 -14.296 1.00 51.23 H new ATOM 0 HA3 GLY A 86 -15.603 -9.953 -13.371 1.00 51.23 H new ATOM 1339 N SER A 87 -12.709 -9.732 -14.068 1.00 60.32 N ATOM 1340 CA SER A 87 -11.607 -9.117 -14.819 1.00 5.40 C ATOM 1341 C SER A 87 -10.517 -10.155 -15.131 1.00 31.12 C ATOM 1342 O SER A 87 -10.427 -11.190 -14.470 1.00 63.32 O ATOM 1343 CB SER A 87 -10.998 -7.953 -14.019 1.00 3.44 C ATOM 1344 OG SER A 87 -11.974 -6.963 -13.711 1.00 61.51 O ATOM 0 H SER A 87 -12.502 -9.887 -13.081 1.00 60.32 H new ATOM 0 HA SER A 87 -12.009 -8.735 -15.758 1.00 5.40 H new ATOM 0 HB2 SER A 87 -10.561 -8.334 -13.096 1.00 3.44 H new ATOM 0 HB3 SER A 87 -10.188 -7.501 -14.592 1.00 3.44 H new ATOM 0 HG SER A 87 -11.555 -6.238 -13.201 1.00 61.51 H new ATOM 1350 N THR A 88 -9.699 -9.887 -16.144 1.00 11.13 N ATOM 1351 CA THR A 88 -8.589 -10.793 -16.490 1.00 51.24 C ATOM 1352 C THR A 88 -7.297 -10.410 -15.755 1.00 10.35 C ATOM 1353 O THR A 88 -6.412 -11.247 -15.556 1.00 50.02 O ATOM 1354 CB THR A 88 -8.306 -10.812 -18.012 1.00 13.41 C ATOM 1355 OG1 THR A 88 -7.277 -11.772 -18.320 1.00 63.33 O ATOM 1356 CG2 THR A 88 -7.877 -9.435 -18.508 1.00 30.11 C ATOM 0 H THR A 88 -9.775 -9.062 -16.739 1.00 11.13 H new ATOM 0 HA THR A 88 -8.906 -11.787 -16.175 1.00 51.24 H new ATOM 0 HB THR A 88 -9.230 -11.095 -18.517 1.00 13.41 H new ATOM 0 HG1 THR A 88 -7.110 -11.774 -19.286 1.00 63.33 H new ATOM 0 HG21 THR A 88 -7.685 -9.478 -19.580 1.00 30.11 H new ATOM 0 HG22 THR A 88 -8.670 -8.714 -18.310 1.00 30.11 H new ATOM 0 HG23 THR A 88 -6.969 -9.128 -17.989 1.00 30.11 H new ATOM 1364 N GLN A 89 -7.191 -9.141 -15.364 1.00 53.30 N ATOM 1365 CA GLN A 89 -5.996 -8.632 -14.679 1.00 65.10 C ATOM 1366 C GLN A 89 -6.060 -8.879 -13.163 1.00 65.52 C ATOM 1367 O GLN A 89 -7.134 -9.087 -12.594 1.00 44.32 O ATOM 1368 CB GLN A 89 -5.823 -7.129 -14.944 1.00 11.03 C ATOM 1369 CG GLN A 89 -6.933 -6.263 -14.347 1.00 5.53 C ATOM 1370 CD GLN A 89 -6.711 -4.774 -14.561 1.00 22.33 C ATOM 1371 OE1 GLN A 89 -6.076 -4.411 -15.658 1.00 10.03 O flip ATOM 1372 NE2 GLN A 89 -7.121 -3.950 -13.748 1.00 65.33 N flip ATOM 0 H GLN A 89 -7.919 -8.442 -15.509 1.00 53.30 H new ATOM 0 HA GLN A 89 -5.140 -9.175 -15.079 1.00 65.10 H new ATOM 0 HB2 GLN A 89 -4.865 -6.806 -14.537 1.00 11.03 H new ATOM 0 HB3 GLN A 89 -5.784 -6.962 -16.020 1.00 11.03 H new ATOM 0 HG2 GLN A 89 -7.887 -6.549 -14.791 1.00 5.53 H new ATOM 0 HG3 GLN A 89 -7.006 -6.463 -13.278 1.00 5.53 H new ATOM 0 HE21 GLN A 89 -7.609 -4.261 -12.908 1.00 65.33 H new ATOM 0 HE22 GLN A 89 -6.974 -2.954 -13.913 1.00 65.33 H new ATOM 1381 N LYS A 90 -4.898 -8.854 -12.520 1.00 42.43 N ATOM 1382 CA LYS A 90 -4.809 -9.003 -11.065 1.00 60.42 C ATOM 1383 C LYS A 90 -4.509 -7.654 -10.391 1.00 1.51 C ATOM 1384 O LYS A 90 -3.826 -6.798 -10.957 1.00 62.24 O ATOM 1385 CB LYS A 90 -3.717 -10.017 -10.701 1.00 53.01 C ATOM 1386 CG LYS A 90 -2.327 -9.618 -11.186 1.00 32.45 C ATOM 1387 CD LYS A 90 -1.254 -10.589 -10.703 1.00 21.01 C ATOM 1388 CE LYS A 90 -1.524 -12.018 -11.156 1.00 45.34 C ATOM 1389 NZ LYS A 90 -0.452 -12.944 -10.716 1.00 22.43 N ATOM 0 H LYS A 90 -3.998 -8.731 -12.983 1.00 42.43 H new ATOM 0 HA LYS A 90 -5.772 -9.365 -10.704 1.00 60.42 H new ATOM 0 HB2 LYS A 90 -3.693 -10.140 -9.618 1.00 53.01 H new ATOM 0 HB3 LYS A 90 -3.977 -10.986 -11.126 1.00 53.01 H new ATOM 0 HG2 LYS A 90 -2.319 -9.582 -12.275 1.00 32.45 H new ATOM 0 HG3 LYS A 90 -2.094 -8.614 -10.832 1.00 32.45 H new ATOM 0 HD2 LYS A 90 -0.282 -10.269 -11.077 1.00 21.01 H new ATOM 0 HD3 LYS A 90 -1.202 -10.558 -9.615 1.00 21.01 H new ATOM 0 HE2 LYS A 90 -2.481 -12.352 -10.755 1.00 45.34 H new ATOM 0 HE3 LYS A 90 -1.606 -12.046 -12.243 1.00 45.34 H new ATOM 0 HZ1 LYS A 90 -0.670 -13.907 -11.042 1.00 22.43 H new ATOM 0 HZ2 LYS A 90 0.457 -12.639 -11.119 1.00 22.43 H new ATOM 0 HZ3 LYS A 90 -0.391 -12.936 -9.678 1.00 22.43 H new ATOM 1403 N ALA A 91 -5.023 -7.474 -9.184 1.00 73.22 N ATOM 1404 CA ALA A 91 -4.755 -6.269 -8.394 1.00 50.41 C ATOM 1405 C ALA A 91 -3.859 -6.592 -7.193 1.00 54.01 C ATOM 1406 O ALA A 91 -3.899 -7.701 -6.654 1.00 35.33 O ATOM 1407 CB ALA A 91 -6.066 -5.644 -7.929 1.00 44.44 C ATOM 0 H ALA A 91 -5.633 -8.149 -8.722 1.00 73.22 H new ATOM 0 HA ALA A 91 -4.229 -5.553 -9.025 1.00 50.41 H new ATOM 0 HB1 ALA A 91 -5.855 -4.749 -7.343 1.00 44.44 H new ATOM 0 HB2 ALA A 91 -6.669 -5.376 -8.796 1.00 44.44 H new ATOM 0 HB3 ALA A 91 -6.612 -6.360 -7.315 1.00 44.44 H new ATOM 1413 N LEU A 92 -3.052 -5.627 -6.772 1.00 13.05 N ATOM 1414 CA LEU A 92 -2.161 -5.825 -5.629 1.00 52.14 C ATOM 1415 C LEU A 92 -2.839 -5.383 -4.324 1.00 53.42 C ATOM 1416 O LEU A 92 -3.094 -4.196 -4.111 1.00 0.13 O ATOM 1417 CB LEU A 92 -0.842 -5.065 -5.837 1.00 3.31 C ATOM 1418 CG LEU A 92 0.176 -5.179 -4.684 1.00 4.33 C ATOM 1419 CD1 LEU A 92 0.733 -6.600 -4.587 1.00 44.00 C ATOM 1420 CD2 LEU A 92 1.309 -4.167 -4.855 1.00 63.21 C ATOM 0 H LEU A 92 -2.994 -4.703 -7.200 1.00 13.05 H new ATOM 0 HA LEU A 92 -1.938 -6.889 -5.551 1.00 52.14 H new ATOM 0 HB2 LEU A 92 -0.373 -5.429 -6.751 1.00 3.31 H new ATOM 0 HB3 LEU A 92 -1.071 -4.011 -5.994 1.00 3.31 H new ATOM 0 HG LEU A 92 -0.345 -4.953 -3.753 1.00 4.33 H new ATOM 0 HD11 LEU A 92 1.449 -6.655 -3.767 1.00 44.00 H new ATOM 0 HD12 LEU A 92 -0.083 -7.299 -4.404 1.00 44.00 H new ATOM 0 HD13 LEU A 92 1.231 -6.860 -5.521 1.00 44.00 H new ATOM 0 HD21 LEU A 92 2.014 -4.267 -4.030 1.00 63.21 H new ATOM 0 HD22 LEU A 92 1.824 -4.354 -5.797 1.00 63.21 H new ATOM 0 HD23 LEU A 92 0.898 -3.158 -4.860 1.00 63.21 H new ATOM 1432 N TYR A 93 -3.146 -6.349 -3.463 1.00 33.52 N ATOM 1433 CA TYR A 93 -3.761 -6.063 -2.163 1.00 71.34 C ATOM 1434 C TYR A 93 -2.708 -6.095 -1.046 1.00 33.31 C ATOM 1435 O TYR A 93 -1.786 -6.915 -1.061 1.00 1.32 O ATOM 1436 CB TYR A 93 -4.891 -7.060 -1.874 1.00 52.33 C ATOM 1437 CG TYR A 93 -6.111 -6.876 -2.764 1.00 31.32 C ATOM 1438 CD1 TYR A 93 -6.094 -7.277 -4.096 1.00 42.13 C ATOM 1439 CD2 TYR A 93 -7.280 -6.302 -2.272 1.00 64.04 C ATOM 1440 CE1 TYR A 93 -7.202 -7.114 -4.907 1.00 31.12 C ATOM 1441 CE2 TYR A 93 -8.390 -6.135 -3.080 1.00 41.23 C ATOM 1442 CZ TYR A 93 -8.346 -6.543 -4.396 1.00 60.23 C ATOM 1443 OH TYR A 93 -9.452 -6.382 -5.205 1.00 54.32 O ATOM 0 H TYR A 93 -2.980 -7.340 -3.639 1.00 33.52 H new ATOM 0 HA TYR A 93 -4.188 -5.061 -2.197 1.00 71.34 H new ATOM 0 HB2 TYR A 93 -4.510 -8.074 -1.999 1.00 52.33 H new ATOM 0 HB3 TYR A 93 -5.194 -6.960 -0.832 1.00 52.33 H new ATOM 0 HD1 TYR A 93 -5.199 -7.724 -4.504 1.00 42.13 H new ATOM 0 HD2 TYR A 93 -7.321 -5.982 -1.241 1.00 64.04 H new ATOM 0 HE1 TYR A 93 -7.170 -7.434 -5.938 1.00 31.12 H new ATOM 0 HE2 TYR A 93 -9.288 -5.687 -2.681 1.00 41.23 H new ATOM 0 HH TYR A 93 -10.175 -5.965 -4.691 1.00 54.32 H new ATOM 1453 N LEU A 94 -2.852 -5.196 -0.080 1.00 43.54 N ATOM 1454 CA LEU A 94 -1.856 -5.021 0.978 1.00 3.30 C ATOM 1455 C LEU A 94 -2.484 -5.193 2.371 1.00 61.52 C ATOM 1456 O LEU A 94 -3.643 -4.836 2.586 1.00 51.10 O ATOM 1457 CB LEU A 94 -1.240 -3.618 0.863 1.00 75.13 C ATOM 1458 CG LEU A 94 -0.747 -3.229 -0.542 1.00 72.21 C ATOM 1459 CD1 LEU A 94 -0.259 -1.785 -0.562 1.00 31.12 C ATOM 1460 CD2 LEU A 94 0.354 -4.173 -1.011 1.00 24.14 C ATOM 0 H LEU A 94 -3.654 -4.571 -0.005 1.00 43.54 H new ATOM 0 HA LEU A 94 -1.086 -5.783 0.857 1.00 3.30 H new ATOM 0 HB2 LEU A 94 -1.981 -2.886 1.186 1.00 75.13 H new ATOM 0 HB3 LEU A 94 -0.402 -3.549 1.556 1.00 75.13 H new ATOM 0 HG LEU A 94 -1.587 -3.316 -1.231 1.00 72.21 H new ATOM 0 HD11 LEU A 94 0.085 -1.531 -1.565 1.00 31.12 H new ATOM 0 HD12 LEU A 94 -1.076 -1.121 -0.280 1.00 31.12 H new ATOM 0 HD13 LEU A 94 0.563 -1.669 0.144 1.00 31.12 H new ATOM 0 HD21 LEU A 94 0.686 -3.878 -2.006 1.00 24.14 H new ATOM 0 HD22 LEU A 94 1.194 -4.124 -0.319 1.00 24.14 H new ATOM 0 HD23 LEU A 94 -0.030 -5.192 -1.044 1.00 24.14 H new ATOM 1472 N ARG A 95 -1.716 -5.738 3.309 1.00 42.45 N ATOM 1473 CA ARG A 95 -2.175 -5.875 4.698 1.00 70.23 C ATOM 1474 C ARG A 95 -1.026 -5.653 5.693 1.00 61.43 C ATOM 1475 O ARG A 95 0.153 -5.778 5.345 1.00 11.40 O ATOM 1476 CB ARG A 95 -2.825 -7.250 4.928 1.00 5.13 C ATOM 1477 CG ARG A 95 -1.959 -8.433 4.512 1.00 71.44 C ATOM 1478 CD ARG A 95 -2.625 -9.763 4.854 1.00 63.31 C ATOM 1479 NE ARG A 95 -1.890 -10.906 4.312 1.00 41.41 N ATOM 1480 CZ ARG A 95 -1.850 -12.086 4.867 1.00 5.42 C ATOM 1481 NH1 ARG A 95 -2.399 -12.302 6.025 1.00 51.14 N ATOM 1482 NH2 ARG A 95 -1.246 -13.050 4.265 1.00 3.44 N ATOM 0 H ARG A 95 -0.775 -6.093 3.139 1.00 42.45 H new ATOM 0 HA ARG A 95 -2.925 -5.103 4.872 1.00 70.23 H new ATOM 0 HB2 ARG A 95 -3.071 -7.350 5.985 1.00 5.13 H new ATOM 0 HB3 ARG A 95 -3.764 -7.291 4.377 1.00 5.13 H new ATOM 0 HG2 ARG A 95 -1.768 -8.386 3.440 1.00 71.44 H new ATOM 0 HG3 ARG A 95 -0.992 -8.370 5.011 1.00 71.44 H new ATOM 0 HD2 ARG A 95 -2.700 -9.862 5.937 1.00 63.31 H new ATOM 0 HD3 ARG A 95 -3.642 -9.769 4.463 1.00 63.31 H new ATOM 0 HE ARG A 95 -1.374 -10.771 3.442 1.00 41.41 H new ATOM 0 HH11 ARG A 95 -2.871 -11.542 6.515 1.00 51.14 H new ATOM 0 HH12 ARG A 95 -2.358 -13.231 6.444 1.00 51.14 H new ATOM 0 HH21 ARG A 95 -0.803 -12.888 3.361 1.00 3.44 H new ATOM 0 HH22 ARG A 95 -1.210 -13.975 4.692 1.00 3.44 H new ATOM 1496 N ALA A 96 -1.382 -5.315 6.933 1.00 24.51 N ATOM 1497 CA ALA A 96 -0.394 -4.989 7.968 1.00 13.01 C ATOM 1498 C ALA A 96 0.373 -6.230 8.449 1.00 33.11 C ATOM 1499 O ALA A 96 -0.208 -7.296 8.659 1.00 40.54 O ATOM 1500 CB ALA A 96 -1.077 -4.298 9.145 1.00 11.53 C ATOM 0 H ALA A 96 -2.351 -5.259 7.248 1.00 24.51 H new ATOM 0 HA ALA A 96 0.335 -4.312 7.523 1.00 13.01 H new ATOM 0 HB1 ALA A 96 -0.335 -4.060 9.908 1.00 11.53 H new ATOM 0 HB2 ALA A 96 -1.552 -3.379 8.802 1.00 11.53 H new ATOM 0 HB3 ALA A 96 -1.832 -4.961 9.568 1.00 11.53 H new ATOM 1506 N LYS A 97 1.683 -6.078 8.633 1.00 11.23 N ATOM 1507 CA LYS A 97 2.533 -7.175 9.099 1.00 30.41 C ATOM 1508 C LYS A 97 2.423 -7.378 10.618 1.00 4.01 C ATOM 1509 O LYS A 97 2.951 -6.585 11.401 1.00 3.21 O ATOM 1510 CB LYS A 97 3.999 -6.914 8.730 1.00 45.02 C ATOM 1511 CG LYS A 97 4.952 -7.989 9.241 1.00 3.34 C ATOM 1512 CD LYS A 97 4.802 -9.298 8.467 1.00 45.34 C ATOM 1513 CE LYS A 97 5.680 -9.320 7.226 1.00 42.13 C ATOM 1514 NZ LYS A 97 7.121 -9.226 7.580 1.00 63.10 N ATOM 0 H LYS A 97 2.181 -5.204 8.466 1.00 11.23 H new ATOM 0 HA LYS A 97 2.184 -8.081 8.604 1.00 30.41 H new ATOM 0 HB2 LYS A 97 4.087 -6.847 7.646 1.00 45.02 H new ATOM 0 HB3 LYS A 97 4.302 -5.948 9.135 1.00 45.02 H new ATOM 0 HG2 LYS A 97 5.979 -7.633 9.157 1.00 3.34 H new ATOM 0 HG3 LYS A 97 4.762 -8.169 10.299 1.00 3.34 H new ATOM 0 HD2 LYS A 97 5.064 -10.135 9.114 1.00 45.34 H new ATOM 0 HD3 LYS A 97 3.760 -9.433 8.178 1.00 45.34 H new ATOM 0 HE2 LYS A 97 5.500 -10.238 6.667 1.00 42.13 H new ATOM 0 HE3 LYS A 97 5.409 -8.491 6.572 1.00 42.13 H new ATOM 0 HZ1 LYS A 97 7.524 -8.359 7.169 1.00 63.10 H new ATOM 0 HZ2 LYS A 97 7.223 -9.199 8.615 1.00 63.10 H new ATOM 0 HZ3 LYS A 97 7.626 -10.054 7.204 1.00 63.10 H new ATOM 1528 N LEU A 98 1.737 -8.443 11.026 1.00 44.53 N ATOM 1529 CA LEU A 98 1.662 -8.824 12.439 1.00 42.31 C ATOM 1530 C LEU A 98 2.233 -10.238 12.647 1.00 60.31 C ATOM 1531 O LEU A 98 1.562 -11.240 12.387 1.00 43.25 O ATOM 1532 CB LEU A 98 0.209 -8.755 12.937 1.00 33.31 C ATOM 1533 CG LEU A 98 -0.451 -7.364 12.856 1.00 10.44 C ATOM 1534 CD1 LEU A 98 -1.904 -7.419 13.329 1.00 3.11 C ATOM 1535 CD2 LEU A 98 0.339 -6.342 13.672 1.00 45.11 C ATOM 0 H LEU A 98 1.223 -9.061 10.398 1.00 44.53 H new ATOM 0 HA LEU A 98 2.261 -8.121 13.018 1.00 42.31 H new ATOM 0 HB2 LEU A 98 -0.390 -9.457 12.357 1.00 33.31 H new ATOM 0 HB3 LEU A 98 0.181 -9.092 13.973 1.00 33.31 H new ATOM 0 HG LEU A 98 -0.445 -7.050 11.812 1.00 10.44 H new ATOM 0 HD11 LEU A 98 -2.346 -6.425 13.262 1.00 3.11 H new ATOM 0 HD12 LEU A 98 -2.466 -8.109 12.700 1.00 3.11 H new ATOM 0 HD13 LEU A 98 -1.937 -7.762 14.363 1.00 3.11 H new ATOM 0 HD21 LEU A 98 -0.144 -5.368 13.601 1.00 45.11 H new ATOM 0 HD22 LEU A 98 0.371 -6.656 14.715 1.00 45.11 H new ATOM 0 HD23 LEU A 98 1.355 -6.272 13.283 1.00 45.11 H new ATOM 1547 N GLU A 99 3.484 -10.306 13.105 1.00 22.33 N ATOM 1548 CA GLU A 99 4.163 -11.591 13.333 1.00 13.41 C ATOM 1549 C GLU A 99 4.320 -11.886 14.832 1.00 62.41 C ATOM 1550 O GLU A 99 4.468 -10.974 15.648 1.00 12.24 O ATOM 1551 CB GLU A 99 5.538 -11.596 12.648 1.00 53.53 C ATOM 1552 CG GLU A 99 5.467 -11.477 11.130 1.00 22.32 C ATOM 1553 CD GLU A 99 6.838 -11.466 10.464 1.00 43.34 C ATOM 1554 OE1 GLU A 99 7.366 -12.555 10.158 1.00 72.42 O ATOM 1555 OE2 GLU A 99 7.393 -10.369 10.233 1.00 44.10 O ATOM 0 H GLU A 99 4.051 -9.488 13.327 1.00 22.33 H new ATOM 0 HA GLU A 99 3.543 -12.376 12.899 1.00 13.41 H new ATOM 0 HB2 GLU A 99 6.133 -10.771 13.041 1.00 53.53 H new ATOM 0 HB3 GLU A 99 6.060 -12.517 12.907 1.00 53.53 H new ATOM 0 HG2 GLU A 99 4.884 -12.309 10.734 1.00 22.32 H new ATOM 0 HG3 GLU A 99 4.936 -10.562 10.868 1.00 22.32 H new ATOM 1562 N HIS A 100 4.319 -13.170 15.186 1.00 23.13 N ATOM 1563 CA HIS A 100 4.386 -13.594 16.594 1.00 3.41 C ATOM 1564 C HIS A 100 5.754 -13.309 17.252 1.00 15.44 C ATOM 1565 O HIS A 100 6.005 -13.748 18.372 1.00 41.41 O ATOM 1566 CB HIS A 100 4.035 -15.088 16.717 1.00 11.52 C ATOM 1567 CG HIS A 100 4.819 -15.981 15.800 1.00 44.22 C ATOM 1568 ND1 HIS A 100 4.281 -16.545 14.664 1.00 22.35 N ATOM 1569 CD2 HIS A 100 6.105 -16.410 15.852 1.00 15.34 C ATOM 1570 CE1 HIS A 100 5.193 -17.278 14.061 1.00 64.43 C ATOM 1571 NE2 HIS A 100 6.305 -17.212 14.758 1.00 23.14 N ATOM 0 H HIS A 100 4.273 -13.941 14.519 1.00 23.13 H new ATOM 0 HA HIS A 100 3.652 -12.997 17.135 1.00 3.41 H new ATOM 0 HB2 HIS A 100 4.202 -15.406 17.746 1.00 11.52 H new ATOM 0 HB3 HIS A 100 2.972 -15.218 16.512 1.00 11.52 H new ATOM 0 HD2 HIS A 100 6.833 -16.166 16.611 1.00 15.34 H new ATOM 0 HE1 HIS A 100 5.051 -17.838 13.149 1.00 64.43 H new ATOM 0 HE2 HIS A 100 7.179 -17.683 14.522 1.00 23.14 H new ATOM 1580 N HIS A 101 6.631 -12.562 16.570 1.00 23.52 N ATOM 1581 CA HIS A 101 7.924 -12.169 17.154 1.00 21.23 C ATOM 1582 C HIS A 101 7.745 -11.232 18.362 1.00 52.05 C ATOM 1583 O HIS A 101 8.698 -10.952 19.086 1.00 44.30 O ATOM 1584 CB HIS A 101 8.846 -11.520 16.102 1.00 13.41 C ATOM 1585 CG HIS A 101 8.287 -10.301 15.420 1.00 73.43 C ATOM 1586 ND1 HIS A 101 8.291 -10.147 14.050 1.00 20.43 N ATOM 1587 CD2 HIS A 101 7.744 -9.162 15.917 1.00 31.35 C ATOM 1588 CE1 HIS A 101 7.777 -8.977 13.737 1.00 45.42 C ATOM 1589 NE2 HIS A 101 7.437 -8.358 14.847 1.00 4.11 N ATOM 0 H HIS A 101 6.473 -12.219 15.622 1.00 23.52 H new ATOM 0 HA HIS A 101 8.400 -13.084 17.507 1.00 21.23 H new ATOM 0 HB2 HIS A 101 9.785 -11.247 16.585 1.00 13.41 H new ATOM 0 HB3 HIS A 101 9.083 -12.265 15.342 1.00 13.41 H new ATOM 0 HD2 HIS A 101 7.583 -8.931 16.960 1.00 31.35 H new ATOM 0 HE1 HIS A 101 7.655 -8.590 12.736 1.00 45.42 H new ATOM 0 HE2 HIS A 101 7.014 -7.432 14.904 1.00 4.11 H new ATOM 1598 N HIS A 102 6.519 -10.749 18.576 1.00 14.52 N ATOM 1599 CA HIS A 102 6.205 -9.930 19.756 1.00 23.41 C ATOM 1600 C HIS A 102 6.088 -10.809 21.020 1.00 74.52 C ATOM 1601 O HIS A 102 5.172 -10.649 21.827 1.00 4.22 O ATOM 1602 CB HIS A 102 4.910 -9.130 19.522 1.00 22.21 C ATOM 1603 CG HIS A 102 3.703 -9.966 19.198 1.00 63.50 C ATOM 1604 ND1 HIS A 102 3.220 -10.124 17.914 1.00 32.22 N ATOM 1605 CD2 HIS A 102 2.862 -10.671 19.996 1.00 14.44 C ATOM 1606 CE1 HIS A 102 2.143 -10.883 17.941 1.00 2.12 C ATOM 1607 NE2 HIS A 102 1.906 -11.227 19.187 1.00 44.22 N ATOM 0 H HIS A 102 5.728 -10.908 17.952 1.00 14.52 H new ATOM 0 HA HIS A 102 7.021 -9.225 19.914 1.00 23.41 H new ATOM 0 HB2 HIS A 102 4.698 -8.540 20.414 1.00 22.21 H new ATOM 0 HB3 HIS A 102 5.077 -8.426 18.707 1.00 22.21 H new ATOM 0 HD1 HIS A 102 3.633 -9.717 17.075 1.00 32.22 H new ATOM 0 HD2 HIS A 102 2.933 -10.775 21.069 1.00 14.44 H new ATOM 0 HE1 HIS A 102 1.554 -11.173 17.083 1.00 2.12 H new ATOM 1616 N HIS A 103 7.055 -11.708 21.195 1.00 12.20 N ATOM 1617 CA HIS A 103 7.025 -12.712 22.259 1.00 64.25 C ATOM 1618 C HIS A 103 7.141 -12.065 23.651 1.00 22.10 C ATOM 1619 O HIS A 103 8.239 -11.898 24.186 1.00 50.14 O ATOM 1620 CB HIS A 103 8.165 -13.719 22.026 1.00 44.31 C ATOM 1621 CG HIS A 103 8.152 -14.907 22.942 1.00 62.22 C ATOM 1622 ND1 HIS A 103 7.503 -16.081 22.633 1.00 53.34 N ATOM 1623 CD2 HIS A 103 8.738 -15.114 24.147 1.00 34.32 C ATOM 1624 CE1 HIS A 103 7.686 -16.952 23.600 1.00 40.32 C ATOM 1625 NE2 HIS A 103 8.434 -16.396 24.532 1.00 2.55 N ATOM 0 H HIS A 103 7.883 -11.761 20.602 1.00 12.20 H new ATOM 0 HA HIS A 103 6.066 -13.230 22.230 1.00 64.25 H new ATOM 0 HB2 HIS A 103 8.114 -14.072 20.996 1.00 44.31 H new ATOM 0 HB3 HIS A 103 9.117 -13.201 22.139 1.00 44.31 H new ATOM 0 HD2 HIS A 103 9.333 -14.403 24.701 1.00 34.32 H new ATOM 0 HE1 HIS A 103 7.289 -17.956 23.627 1.00 40.32 H new ATOM 0 HE2 HIS A 103 8.737 -16.844 25.397 1.00 2.55 H new ATOM 1634 N HIS A 104 5.999 -11.665 24.209 1.00 41.24 N ATOM 1635 CA HIS A 104 5.943 -11.077 25.553 1.00 13.03 C ATOM 1636 C HIS A 104 5.152 -11.977 26.513 1.00 72.51 C ATOM 1637 O HIS A 104 4.171 -12.610 26.117 1.00 52.41 O ATOM 1638 CB HIS A 104 5.291 -9.690 25.499 1.00 71.01 C ATOM 1639 CG HIS A 104 5.984 -8.729 24.581 1.00 13.21 C ATOM 1640 ND1 HIS A 104 5.419 -8.268 23.412 1.00 73.41 N ATOM 1641 CD2 HIS A 104 7.192 -8.122 24.674 1.00 34.25 C ATOM 1642 CE1 HIS A 104 6.246 -7.425 22.827 1.00 60.32 C ATOM 1643 NE2 HIS A 104 7.329 -7.319 23.570 1.00 10.51 N ATOM 0 H HIS A 104 5.091 -11.737 23.749 1.00 41.24 H new ATOM 0 HA HIS A 104 6.965 -10.984 25.921 1.00 13.03 H new ATOM 0 HB2 HIS A 104 4.254 -9.799 25.180 1.00 71.01 H new ATOM 0 HB3 HIS A 104 5.273 -9.268 26.504 1.00 71.01 H new ATOM 0 HD2 HIS A 104 7.912 -8.247 25.469 1.00 34.25 H new ATOM 0 HE1 HIS A 104 6.066 -6.908 21.896 1.00 60.32 H new ATOM 0 HE2 HIS A 104 8.138 -6.735 23.359 1.00 10.51 H new ATOM 1652 N HIS A 105 5.574 -12.025 27.773 1.00 54.44 N ATOM 1653 CA HIS A 105 4.896 -12.848 28.783 1.00 53.55 C ATOM 1654 C HIS A 105 3.820 -12.034 29.532 1.00 33.41 C ATOM 1655 O HIS A 105 4.181 -11.291 30.472 1.00 38.28 O ATOM 1656 CB HIS A 105 5.921 -13.418 29.775 1.00 13.31 C ATOM 1657 CG HIS A 105 7.007 -14.222 29.126 1.00 12.21 C ATOM 1658 ND1 HIS A 105 7.025 -15.599 29.112 1.00 43.34 N ATOM 1659 CD2 HIS A 105 8.129 -13.832 28.474 1.00 71.24 C ATOM 1660 CE1 HIS A 105 8.105 -16.020 28.488 1.00 2.35 C ATOM 1661 NE2 HIS A 105 8.792 -14.971 28.089 1.00 51.11 N ATOM 1662 OXT HIS A 105 2.620 -12.143 29.175 1.00 38.28 O ATOM 0 H HIS A 105 6.380 -11.507 28.124 1.00 54.44 H new ATOM 0 HA HIS A 105 4.399 -13.673 28.273 1.00 53.55 H new ATOM 0 HB2 HIS A 105 6.372 -12.595 30.330 1.00 13.31 H new ATOM 0 HB3 HIS A 105 5.402 -14.044 30.500 1.00 13.31 H new ATOM 0 HD2 HIS A 105 8.443 -12.815 28.291 1.00 71.24 H new ATOM 0 HE1 HIS A 105 8.381 -17.052 28.330 1.00 2.35 H new ATOM 0 HE2 HIS A 105 9.674 -14.999 27.577 1.00 51.11 H new TER 1671 HIS A 105