USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 927 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 85 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 97 THR OG1 : rot 72:sc= 0.324 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 149:sc= 1.04 (180deg=-0.0451) USER MOD Set 2.2: A 69 TYR OH : rot 176:sc= 1.64 USER MOD Set 3.1: A 47 HIS : no HD1:sc= 0.394 K(o=0.35,f=-1.4) USER MOD Set 3.2: A 48 GLN :FLIP amide:sc= 0.416 F(o=-1.1,f=0.35) USER MOD Set 3.3: A 76 ASN :FLIP amide:sc= -0.458 F(o=-0.31,f=0.35) USER MOD Set 4.1: A 18 MET CE :methyl -114:sc= -0.904 (180deg=-2.53) USER MOD Set 4.2: A 60 SER OG : rot -81:sc= -0.96 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.2) USER MOD Single : A 6 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.7) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -140:sc= -0.141 (180deg=-1.76) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.89! C(o=-1.9!,f=-3.4!) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0.11 (180deg=0.0665) USER MOD Single : A 26 THR OG1 : rot -66:sc= -0.913 USER MOD Single : A 29 TYR OH : rot 19:sc= 0.605 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 19:sc= -3.45! USER MOD Single : A 46 HIS : no HE2:sc= -2.62 X(o=-2.6,f=-2.7!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 70:sc= 0.879 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.077 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.12) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.078) USER MOD Single : A 88 SER OG : rot 180:sc= 0.27 USER MOD Single : A 90 SER OG : rot -116:sc= 0.187 USER MOD Single : A 98 GLN : amide:sc= -0.0801 X(o=-0.08,f=-0.12) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.596 27.115 5.369 1.00 12.23 N ATOM 2 CA MET A 1 16.816 28.245 5.935 1.00 33.43 C ATOM 3 C MET A 1 15.665 27.666 6.758 1.00 42.41 C ATOM 4 O MET A 1 15.540 27.937 7.959 1.00 24.31 O ATOM 5 CB MET A 1 16.312 29.177 4.795 1.00 21.04 C ATOM 6 CG MET A 1 15.671 30.487 5.272 1.00 13.42 C ATOM 7 SD MET A 1 16.813 31.487 6.258 1.00 5.52 S ATOM 8 CE MET A 1 15.820 32.929 6.651 1.00 21.24 C ATOM 0 H1 MET A 1 18.386 27.487 4.804 1.00 12.23 H new ATOM 0 H2 MET A 1 17.970 26.529 6.143 1.00 12.23 H new ATOM 0 H3 MET A 1 16.979 26.537 4.763 1.00 12.23 H new ATOM 0 HA MET A 1 17.440 28.857 6.586 1.00 33.43 H new ATOM 0 HB2 MET A 1 17.152 29.416 4.142 1.00 21.04 H new ATOM 0 HB3 MET A 1 15.585 28.631 4.193 1.00 21.04 H new ATOM 0 HG2 MET A 1 15.339 31.063 4.408 1.00 13.42 H new ATOM 0 HG3 MET A 1 14.784 30.261 5.864 1.00 13.42 H new ATOM 0 HE1 MET A 1 16.407 33.622 7.254 1.00 21.24 H new ATOM 0 HE2 MET A 1 15.513 33.422 5.728 1.00 21.24 H new ATOM 0 HE3 MET A 1 14.936 32.621 7.209 1.00 21.24 H new ATOM 20 N GLY A 2 14.814 26.874 6.088 1.00 24.30 N ATOM 21 CA GLY A 2 13.891 25.967 6.767 1.00 64.42 C ATOM 22 C GLY A 2 14.556 24.613 6.930 1.00 45.14 C ATOM 23 O GLY A 2 14.957 24.006 5.924 1.00 40.43 O ATOM 0 H GLY A 2 14.750 26.848 5.070 1.00 24.30 H new ATOM 0 HA2 GLY A 2 13.616 26.371 7.741 1.00 64.42 H new ATOM 0 HA3 GLY A 2 12.971 25.867 6.192 1.00 64.42 H new ATOM 27 N HIS A 3 14.723 24.159 8.185 1.00 42.32 N ATOM 28 CA HIS A 3 15.331 22.850 8.485 1.00 54.31 C ATOM 29 C HIS A 3 14.333 21.775 8.032 1.00 10.31 C ATOM 30 O HIS A 3 13.420 21.442 8.795 1.00 35.40 O ATOM 31 CB HIS A 3 15.633 22.697 10.011 1.00 34.42 C ATOM 32 CG HIS A 3 16.434 23.824 10.629 1.00 14.52 C ATOM 33 ND1 HIS A 3 17.734 23.682 11.069 1.00 11.42 N ATOM 34 CD2 HIS A 3 16.089 25.105 10.917 1.00 62.12 C ATOM 35 CE1 HIS A 3 18.145 24.816 11.603 1.00 1.21 C ATOM 36 NE2 HIS A 3 17.168 25.695 11.521 1.00 11.31 N ATOM 0 H HIS A 3 14.443 24.684 9.014 1.00 42.32 H new ATOM 0 HA HIS A 3 16.282 22.752 7.962 1.00 54.31 H new ATOM 0 HB2 HIS A 3 14.687 22.611 10.545 1.00 34.42 H new ATOM 0 HB3 HIS A 3 16.173 21.763 10.166 1.00 34.42 H new ATOM 0 HD2 HIS A 3 15.138 25.573 10.708 1.00 62.12 H new ATOM 0 HE1 HIS A 3 19.119 24.994 12.035 1.00 1.21 H new ATOM 0 HE2 HIS A 3 17.208 26.659 11.853 1.00 11.31 H new ATOM 45 N HIS A 4 14.475 21.300 6.765 1.00 2.31 N ATOM 46 CA HIS A 4 13.432 20.506 6.085 1.00 54.03 C ATOM 47 C HIS A 4 12.983 19.289 6.927 1.00 71.34 C ATOM 48 O HIS A 4 13.764 18.388 7.217 1.00 71.10 O ATOM 49 CB HIS A 4 13.817 20.112 4.620 1.00 3.32 C ATOM 50 CG HIS A 4 15.110 19.355 4.389 1.00 3.51 C ATOM 51 ND1 HIS A 4 15.568 19.082 3.116 1.00 5.33 N ATOM 52 CD2 HIS A 4 16.034 18.819 5.231 1.00 53.14 C ATOM 53 CE1 HIS A 4 16.703 18.419 3.184 1.00 23.42 C ATOM 54 NE2 HIS A 4 17.008 18.245 4.454 1.00 30.40 N ATOM 0 H HIS A 4 15.308 21.458 6.198 1.00 2.31 H new ATOM 0 HA HIS A 4 12.566 21.162 5.995 1.00 54.03 H new ATOM 0 HB2 HIS A 4 13.004 19.510 4.214 1.00 3.32 H new ATOM 0 HB3 HIS A 4 13.860 21.028 4.031 1.00 3.32 H new ATOM 0 HD2 HIS A 4 16.006 18.841 6.310 1.00 53.14 H new ATOM 0 HE1 HIS A 4 17.285 18.076 2.342 1.00 23.42 H new ATOM 0 HE2 HIS A 4 17.835 17.761 4.803 1.00 30.40 H new ATOM 63 N HIS A 5 11.730 19.393 7.388 1.00 13.31 N ATOM 64 CA HIS A 5 11.011 18.397 8.191 1.00 42.14 C ATOM 65 C HIS A 5 11.754 17.995 9.504 1.00 0.11 C ATOM 66 O HIS A 5 11.629 16.866 9.991 1.00 2.32 O ATOM 67 CB HIS A 5 10.581 17.168 7.332 1.00 54.31 C ATOM 68 CG HIS A 5 9.471 16.378 7.979 1.00 45.32 C ATOM 69 ND1 HIS A 5 8.313 16.983 8.413 1.00 42.11 N ATOM 70 CD2 HIS A 5 9.383 15.080 8.363 1.00 52.15 C ATOM 71 CE1 HIS A 5 7.576 16.108 9.047 1.00 12.13 C ATOM 72 NE2 HIS A 5 8.197 14.940 9.031 1.00 34.20 N ATOM 0 H HIS A 5 11.161 20.218 7.201 1.00 13.31 H new ATOM 0 HA HIS A 5 10.097 18.883 8.531 1.00 42.14 H new ATOM 0 HB2 HIS A 5 10.256 17.510 6.350 1.00 54.31 H new ATOM 0 HB3 HIS A 5 11.442 16.519 7.174 1.00 54.31 H new ATOM 0 HD2 HIS A 5 10.111 14.304 8.177 1.00 52.15 H new ATOM 0 HE1 HIS A 5 6.619 16.306 9.507 1.00 12.13 H new ATOM 0 HE2 HIS A 5 7.849 14.077 9.448 1.00 34.20 H new ATOM 81 N HIS A 6 12.510 18.944 10.099 1.00 23.01 N ATOM 82 CA HIS A 6 12.933 18.841 11.520 1.00 73.23 C ATOM 83 C HIS A 6 11.871 19.584 12.365 1.00 70.30 C ATOM 84 O HIS A 6 12.105 20.671 12.911 1.00 3.41 O ATOM 85 CB HIS A 6 14.377 19.381 11.772 1.00 4.44 C ATOM 86 CG HIS A 6 14.846 19.201 13.211 1.00 52.15 C ATOM 87 ND1 HIS A 6 15.419 18.039 13.682 1.00 72.04 N ATOM 88 CD2 HIS A 6 14.771 20.031 14.288 1.00 54.22 C ATOM 89 CE1 HIS A 6 15.667 18.161 14.975 1.00 43.42 C ATOM 90 NE2 HIS A 6 15.283 19.357 15.365 1.00 53.12 N ATOM 0 H HIS A 6 12.839 19.785 9.625 1.00 23.01 H new ATOM 0 HA HIS A 6 12.988 17.792 11.811 1.00 73.23 H new ATOM 0 HB2 HIS A 6 15.070 18.869 11.105 1.00 4.44 H new ATOM 0 HB3 HIS A 6 14.411 20.440 11.516 1.00 4.44 H new ATOM 0 HD2 HIS A 6 14.379 21.037 14.292 1.00 54.22 H new ATOM 0 HE1 HIS A 6 16.111 17.405 15.606 1.00 43.42 H new ATOM 0 HE2 HIS A 6 15.355 19.723 16.314 1.00 53.12 H new ATOM 99 N HIS A 7 10.660 18.997 12.324 1.00 2.44 N ATOM 100 CA HIS A 7 9.439 19.439 13.023 1.00 64.13 C ATOM 101 C HIS A 7 8.301 18.517 12.543 1.00 25.11 C ATOM 102 O HIS A 7 8.071 18.394 11.332 1.00 71.25 O ATOM 103 CB HIS A 7 9.083 20.957 12.819 1.00 44.33 C ATOM 104 CG HIS A 7 8.807 21.416 11.399 1.00 33.31 C ATOM 105 ND1 HIS A 7 7.802 22.303 11.083 1.00 74.30 N ATOM 106 CD2 HIS A 7 9.412 21.122 10.225 1.00 61.33 C ATOM 107 CE1 HIS A 7 7.800 22.529 9.785 1.00 62.31 C ATOM 108 NE2 HIS A 7 8.765 21.826 9.243 1.00 63.51 N ATOM 0 H HIS A 7 10.499 18.155 11.772 1.00 2.44 H new ATOM 0 HA HIS A 7 9.600 19.360 14.098 1.00 64.13 H new ATOM 0 HB2 HIS A 7 8.205 21.183 13.425 1.00 44.33 H new ATOM 0 HB3 HIS A 7 9.905 21.554 13.214 1.00 44.33 H new ATOM 0 HD2 HIS A 7 10.250 20.455 10.087 1.00 61.33 H new ATOM 0 HE1 HIS A 7 7.120 23.182 9.258 1.00 62.31 H new ATOM 0 HE2 HIS A 7 8.997 21.806 8.250 1.00 63.51 H new ATOM 117 N HIS A 8 7.615 17.865 13.493 1.00 42.11 N ATOM 118 CA HIS A 8 6.694 16.733 13.211 1.00 21.02 C ATOM 119 C HIS A 8 5.319 17.209 12.705 1.00 22.30 C ATOM 120 O HIS A 8 4.480 16.394 12.300 1.00 3.23 O ATOM 121 CB HIS A 8 6.537 15.858 14.478 1.00 22.24 C ATOM 122 CG HIS A 8 7.851 15.330 14.998 1.00 33.05 C ATOM 123 ND1 HIS A 8 8.448 14.186 14.516 1.00 4.53 N ATOM 124 CD2 HIS A 8 8.703 15.825 15.931 1.00 31.31 C ATOM 125 CE1 HIS A 8 9.605 14.004 15.117 1.00 70.32 C ATOM 126 NE2 HIS A 8 9.786 14.982 15.983 1.00 73.33 N ATOM 0 H HIS A 8 7.677 18.101 14.483 1.00 42.11 H new ATOM 0 HA HIS A 8 7.135 16.138 12.411 1.00 21.02 H new ATOM 0 HB2 HIS A 8 6.053 16.444 15.259 1.00 22.24 H new ATOM 0 HB3 HIS A 8 5.878 15.019 14.254 1.00 22.24 H new ATOM 0 HD2 HIS A 8 8.557 16.716 16.523 1.00 31.31 H new ATOM 0 HE1 HIS A 8 10.291 13.190 14.932 1.00 70.32 H new ATOM 0 HE2 HIS A 8 10.597 15.094 16.591 1.00 73.33 H new ATOM 135 N SER A 9 5.087 18.522 12.774 1.00 34.31 N ATOM 136 CA SER A 9 3.912 19.176 12.174 1.00 64.31 C ATOM 137 C SER A 9 4.320 20.530 11.575 1.00 51.34 C ATOM 138 O SER A 9 5.469 20.956 11.737 1.00 73.25 O ATOM 139 CB SER A 9 2.783 19.333 13.219 1.00 32.30 C ATOM 140 OG SER A 9 2.364 18.075 13.734 1.00 64.45 O ATOM 0 H SER A 9 5.713 19.171 13.251 1.00 34.31 H new ATOM 0 HA SER A 9 3.525 18.550 11.370 1.00 64.31 H new ATOM 0 HB2 SER A 9 3.130 19.964 14.037 1.00 32.30 H new ATOM 0 HB3 SER A 9 1.933 19.841 12.763 1.00 32.30 H new ATOM 0 HG SER A 9 1.651 18.212 14.392 1.00 64.45 H new ATOM 146 N HIS A 10 3.339 21.189 10.910 1.00 15.11 N ATOM 147 CA HIS A 10 3.518 22.387 10.053 1.00 45.15 C ATOM 148 C HIS A 10 4.116 21.986 8.691 1.00 15.41 C ATOM 149 O HIS A 10 4.873 21.008 8.593 1.00 62.13 O ATOM 150 CB HIS A 10 4.304 23.531 10.731 1.00 42.20 C ATOM 151 CG HIS A 10 3.663 24.006 12.011 1.00 54.15 C ATOM 152 ND1 HIS A 10 4.307 23.991 13.230 1.00 23.43 N ATOM 153 CD2 HIS A 10 2.415 24.473 12.258 1.00 43.41 C ATOM 154 CE1 HIS A 10 3.489 24.427 14.163 1.00 53.43 C ATOM 155 NE2 HIS A 10 2.335 24.725 13.603 1.00 34.04 N ATOM 0 H HIS A 10 2.365 20.889 10.958 1.00 15.11 H new ATOM 0 HA HIS A 10 2.526 22.805 9.884 1.00 45.15 H new ATOM 0 HB2 HIS A 10 5.318 23.192 10.942 1.00 42.20 H new ATOM 0 HB3 HIS A 10 4.385 24.369 10.039 1.00 42.20 H new ATOM 0 HD2 HIS A 10 1.630 24.619 11.531 1.00 43.41 H new ATOM 0 HE1 HIS A 10 3.724 24.524 15.213 1.00 53.43 H new ATOM 0 HE2 HIS A 10 1.515 25.085 14.091 1.00 34.04 H new ATOM 164 N MET A 11 3.811 22.810 7.671 1.00 55.41 N ATOM 165 CA MET A 11 3.649 22.367 6.255 1.00 5.51 C ATOM 166 C MET A 11 2.344 21.528 6.254 1.00 51.13 C ATOM 167 O MET A 11 2.363 20.311 6.055 1.00 55.33 O ATOM 168 CB MET A 11 4.881 21.569 5.669 1.00 14.34 C ATOM 169 CG MET A 11 5.201 21.852 4.181 1.00 21.25 C ATOM 170 SD MET A 11 3.778 21.681 3.058 1.00 43.15 S ATOM 171 CE MET A 11 3.506 19.905 3.012 1.00 33.12 C ATOM 0 H MET A 11 3.667 23.812 7.797 1.00 55.41 H new ATOM 0 HA MET A 11 3.595 23.229 5.590 1.00 5.51 H new ATOM 0 HB2 MET A 11 5.763 21.804 6.265 1.00 14.34 H new ATOM 0 HB3 MET A 11 4.692 20.502 5.787 1.00 14.34 H new ATOM 0 HG2 MET A 11 5.597 22.864 4.094 1.00 21.25 H new ATOM 0 HG3 MET A 11 5.988 21.172 3.856 1.00 21.25 H new ATOM 0 HE1 MET A 11 3.259 19.601 1.995 1.00 33.12 H new ATOM 0 HE2 MET A 11 4.411 19.390 3.335 1.00 33.12 H new ATOM 0 HE3 MET A 11 2.683 19.646 3.678 1.00 33.12 H new ATOM 181 N PRO A 12 1.175 22.192 6.534 1.00 33.12 N ATOM 182 CA PRO A 12 -0.051 21.521 7.005 1.00 0.23 C ATOM 183 C PRO A 12 -0.935 20.980 5.868 1.00 42.04 C ATOM 184 O PRO A 12 -2.081 20.578 6.105 1.00 72.22 O ATOM 185 CB PRO A 12 -0.741 22.660 7.787 1.00 43.15 C ATOM 186 CG PRO A 12 -0.395 23.912 7.029 1.00 23.22 C ATOM 187 CD PRO A 12 0.938 23.650 6.338 1.00 64.43 C ATOM 0 HA PRO A 12 0.151 20.626 7.593 1.00 0.23 H new ATOM 0 HB2 PRO A 12 -1.820 22.511 7.833 1.00 43.15 H new ATOM 0 HB3 PRO A 12 -0.382 22.708 8.815 1.00 43.15 H new ATOM 0 HG2 PRO A 12 -1.169 24.149 6.299 1.00 23.22 H new ATOM 0 HG3 PRO A 12 -0.320 24.765 7.704 1.00 23.22 H new ATOM 0 HD2 PRO A 12 0.895 23.907 5.280 1.00 64.43 H new ATOM 0 HD3 PRO A 12 1.738 24.246 6.778 1.00 64.43 H new ATOM 195 N LYS A 13 -0.385 20.965 4.644 1.00 41.20 N ATOM 196 CA LYS A 13 -1.048 20.374 3.477 1.00 62.03 C ATOM 197 C LYS A 13 -0.834 18.849 3.503 1.00 53.33 C ATOM 198 O LYS A 13 0.242 18.380 3.888 1.00 71.13 O ATOM 199 CB LYS A 13 -0.522 21.048 2.181 1.00 73.43 C ATOM 200 CG LYS A 13 -0.836 22.562 2.148 1.00 24.21 C ATOM 201 CD LYS A 13 -0.428 23.276 0.835 1.00 12.54 C ATOM 202 CE LYS A 13 1.097 23.327 0.605 1.00 5.21 C ATOM 203 NZ LYS A 13 1.459 24.244 -0.515 1.00 53.01 N ATOM 0 H LYS A 13 0.531 21.363 4.438 1.00 41.20 H new ATOM 0 HA LYS A 13 -2.123 20.551 3.503 1.00 62.03 H new ATOM 0 HB2 LYS A 13 0.555 20.899 2.106 1.00 73.43 H new ATOM 0 HB3 LYS A 13 -0.971 20.565 1.313 1.00 73.43 H new ATOM 0 HG2 LYS A 13 -1.906 22.702 2.305 1.00 24.21 H new ATOM 0 HG3 LYS A 13 -0.326 23.044 2.982 1.00 24.21 H new ATOM 0 HD2 LYS A 13 -0.897 22.766 -0.006 1.00 12.54 H new ATOM 0 HD3 LYS A 13 -0.819 24.293 0.848 1.00 12.54 H new ATOM 0 HE2 LYS A 13 1.591 23.657 1.519 1.00 5.21 H new ATOM 0 HE3 LYS A 13 1.465 22.324 0.387 1.00 5.21 H new ATOM 0 HZ1 LYS A 13 2.492 24.251 -0.638 1.00 53.01 H new ATOM 0 HZ2 LYS A 13 1.008 23.915 -1.392 1.00 53.01 H new ATOM 0 HZ3 LYS A 13 1.130 25.206 -0.296 1.00 53.01 H new ATOM 217 N ALA A 14 -1.871 18.107 3.063 1.00 15.44 N ATOM 218 CA ALA A 14 -2.100 16.667 3.363 1.00 55.11 C ATOM 219 C ALA A 14 -0.948 15.729 2.980 1.00 11.31 C ATOM 220 O ALA A 14 -0.886 14.611 3.505 1.00 50.10 O ATOM 221 CB ALA A 14 -3.427 16.204 2.721 1.00 1.53 C ATOM 0 H ALA A 14 -2.600 18.501 2.469 1.00 15.44 H new ATOM 0 HA ALA A 14 -2.158 16.596 4.449 1.00 55.11 H new ATOM 0 HB1 ALA A 14 -3.590 15.149 2.943 1.00 1.53 H new ATOM 0 HB2 ALA A 14 -4.251 16.792 3.125 1.00 1.53 H new ATOM 0 HB3 ALA A 14 -3.377 16.344 1.641 1.00 1.53 H new ATOM 227 N THR A 15 -0.066 16.173 2.066 1.00 53.45 N ATOM 228 CA THR A 15 1.172 15.430 1.698 1.00 63.21 C ATOM 229 C THR A 15 2.019 15.084 2.950 1.00 61.33 C ATOM 230 O THR A 15 2.493 13.944 3.088 1.00 53.12 O ATOM 231 CB THR A 15 2.035 16.258 0.668 1.00 45.41 C ATOM 232 OG1 THR A 15 1.339 16.369 -0.582 1.00 41.23 O ATOM 233 CG2 THR A 15 3.432 15.656 0.401 1.00 13.22 C ATOM 0 H THR A 15 -0.182 17.051 1.560 1.00 53.45 H new ATOM 0 HA THR A 15 0.866 14.495 1.229 1.00 63.21 H new ATOM 0 HB THR A 15 2.184 17.236 1.125 1.00 45.41 H new ATOM 0 HG1 THR A 15 1.882 16.886 -1.214 1.00 41.23 H new ATOM 0 HG21 THR A 15 3.966 16.279 -0.316 1.00 13.22 H new ATOM 0 HG22 THR A 15 3.994 15.614 1.334 1.00 13.22 H new ATOM 0 HG23 THR A 15 3.323 14.650 -0.003 1.00 13.22 H new ATOM 241 N ALA A 16 2.155 16.060 3.861 1.00 22.01 N ATOM 242 CA ALA A 16 3.002 15.931 5.067 1.00 0.11 C ATOM 243 C ALA A 16 2.385 14.957 6.083 1.00 70.30 C ATOM 244 O ALA A 16 3.081 14.097 6.593 1.00 71.44 O ATOM 245 CB ALA A 16 3.244 17.301 5.706 1.00 24.14 C ATOM 0 H ALA A 16 1.683 16.961 3.787 1.00 22.01 H new ATOM 0 HA ALA A 16 3.963 15.521 4.757 1.00 0.11 H new ATOM 0 HB1 ALA A 16 3.869 17.184 6.591 1.00 24.14 H new ATOM 0 HB2 ALA A 16 3.746 17.952 4.991 1.00 24.14 H new ATOM 0 HB3 ALA A 16 2.289 17.743 5.991 1.00 24.14 H new ATOM 251 N GLN A 17 1.078 15.090 6.366 1.00 62.44 N ATOM 252 CA GLN A 17 0.370 14.233 7.358 1.00 23.05 C ATOM 253 C GLN A 17 0.343 12.771 6.867 1.00 42.32 C ATOM 254 O GLN A 17 0.624 11.807 7.631 1.00 52.22 O ATOM 255 CB GLN A 17 -1.067 14.761 7.643 1.00 12.32 C ATOM 256 CG GLN A 17 -1.129 16.080 8.448 1.00 15.42 C ATOM 257 CD GLN A 17 -0.551 17.298 7.726 1.00 4.40 C ATOM 258 OE1 GLN A 17 -0.585 17.391 6.498 1.00 72.15 O ATOM 259 NE2 GLN A 17 -0.010 18.231 8.481 1.00 33.43 N ATOM 0 H GLN A 17 0.478 15.786 5.923 1.00 62.44 H new ATOM 0 HA GLN A 17 0.917 14.272 8.300 1.00 23.05 H new ATOM 0 HB2 GLN A 17 -1.579 14.908 6.692 1.00 12.32 H new ATOM 0 HB3 GLN A 17 -1.619 13.994 8.187 1.00 12.32 H new ATOM 0 HG2 GLN A 17 -2.169 16.285 8.703 1.00 15.42 H new ATOM 0 HG3 GLN A 17 -0.592 15.942 9.386 1.00 15.42 H new ATOM 0 HE21 GLN A 17 0.002 18.123 9.495 1.00 33.43 H new ATOM 0 HE22 GLN A 17 0.397 19.062 8.052 1.00 33.43 H new ATOM 268 N MET A 18 0.040 12.631 5.570 1.00 50.34 N ATOM 269 CA MET A 18 0.113 11.357 4.852 1.00 52.05 C ATOM 270 C MET A 18 1.544 10.786 4.903 1.00 35.51 C ATOM 271 O MET A 18 1.708 9.581 5.033 1.00 53.30 O ATOM 272 CB MET A 18 -0.343 11.556 3.396 1.00 63.24 C ATOM 273 CG MET A 18 -0.313 10.294 2.536 1.00 33.11 C ATOM 274 SD MET A 18 -0.678 10.632 0.811 1.00 40.11 S ATOM 275 CE MET A 18 0.700 11.697 0.410 1.00 5.20 C ATOM 0 H MET A 18 -0.266 13.409 4.986 1.00 50.34 H new ATOM 0 HA MET A 18 -0.551 10.640 5.334 1.00 52.05 H new ATOM 0 HB2 MET A 18 -1.358 11.952 3.399 1.00 63.24 H new ATOM 0 HB3 MET A 18 0.292 12.310 2.931 1.00 63.24 H new ATOM 0 HG2 MET A 18 0.670 9.829 2.612 1.00 33.11 H new ATOM 0 HG3 MET A 18 -1.036 9.576 2.924 1.00 33.11 H new ATOM 0 HE1 MET A 18 0.333 12.700 0.191 1.00 5.20 H new ATOM 0 HE2 MET A 18 1.386 11.738 1.256 1.00 5.20 H new ATOM 0 HE3 MET A 18 1.222 11.303 -0.462 1.00 5.20 H new ATOM 285 N GLU A 19 2.564 11.668 4.791 1.00 12.14 N ATOM 286 CA GLU A 19 3.989 11.285 4.893 1.00 15.12 C ATOM 287 C GLU A 19 4.327 10.783 6.309 1.00 41.05 C ATOM 288 O GLU A 19 5.092 9.842 6.458 1.00 62.53 O ATOM 289 CB GLU A 19 4.920 12.480 4.525 1.00 54.15 C ATOM 290 CG GLU A 19 6.424 12.134 4.530 1.00 74.43 C ATOM 291 CD GLU A 19 7.351 13.352 4.378 1.00 25.21 C ATOM 292 OE1 GLU A 19 7.506 13.861 3.243 1.00 25.34 O ATOM 293 OE2 GLU A 19 7.948 13.801 5.394 1.00 34.42 O ATOM 0 H GLU A 19 2.421 12.665 4.627 1.00 12.14 H new ATOM 0 HA GLU A 19 4.159 10.476 4.182 1.00 15.12 H new ATOM 0 HB2 GLU A 19 4.646 12.848 3.536 1.00 54.15 H new ATOM 0 HB3 GLU A 19 4.743 13.294 5.228 1.00 54.15 H new ATOM 0 HG2 GLU A 19 6.665 11.622 5.462 1.00 74.43 H new ATOM 0 HG3 GLU A 19 6.627 11.433 3.720 1.00 74.43 H new ATOM 300 N GLU A 20 3.735 11.411 7.346 1.00 12.43 N ATOM 301 CA GLU A 20 3.960 11.009 8.753 1.00 13.11 C ATOM 302 C GLU A 20 3.509 9.574 8.947 1.00 72.10 C ATOM 303 O GLU A 20 4.274 8.726 9.433 1.00 32.21 O ATOM 304 CB GLU A 20 3.223 11.946 9.755 1.00 12.33 C ATOM 305 CG GLU A 20 3.576 13.437 9.617 1.00 30.55 C ATOM 306 CD GLU A 20 5.088 13.700 9.661 1.00 74.14 C ATOM 307 OE1 GLU A 20 5.755 13.584 8.606 1.00 72.23 O ATOM 308 OE2 GLU A 20 5.634 13.965 10.762 1.00 64.23 O ATOM 0 H GLU A 20 3.097 12.199 7.237 1.00 12.43 H new ATOM 0 HA GLU A 20 5.027 11.093 8.960 1.00 13.11 H new ATOM 0 HB2 GLU A 20 2.148 11.827 9.620 1.00 12.33 H new ATOM 0 HB3 GLU A 20 3.454 11.624 10.770 1.00 12.33 H new ATOM 0 HG2 GLU A 20 3.174 13.815 8.677 1.00 30.55 H new ATOM 0 HG3 GLU A 20 3.092 13.995 10.418 1.00 30.55 H new ATOM 315 N LYS A 21 2.268 9.314 8.497 1.00 63.11 N ATOM 316 CA LYS A 21 1.673 7.979 8.557 1.00 20.23 C ATOM 317 C LYS A 21 2.425 6.991 7.637 1.00 75.34 C ATOM 318 O LYS A 21 2.611 5.844 8.017 1.00 71.42 O ATOM 319 CB LYS A 21 0.171 8.055 8.186 1.00 14.43 C ATOM 320 CG LYS A 21 -0.674 8.883 9.186 1.00 42.42 C ATOM 321 CD LYS A 21 -2.151 9.014 8.756 1.00 35.44 C ATOM 322 CE LYS A 21 -2.317 9.814 7.455 1.00 24.44 C ATOM 323 NZ LYS A 21 -3.727 9.851 6.998 1.00 21.11 N ATOM 0 H LYS A 21 1.659 10.021 8.086 1.00 63.11 H new ATOM 0 HA LYS A 21 1.762 7.604 9.577 1.00 20.23 H new ATOM 0 HB2 LYS A 21 0.073 8.491 7.192 1.00 14.43 H new ATOM 0 HB3 LYS A 21 -0.233 7.044 8.132 1.00 14.43 H new ATOM 0 HG2 LYS A 21 -0.627 8.415 10.169 1.00 42.42 H new ATOM 0 HG3 LYS A 21 -0.240 9.878 9.285 1.00 42.42 H new ATOM 0 HD2 LYS A 21 -2.577 8.019 8.624 1.00 35.44 H new ATOM 0 HD3 LYS A 21 -2.716 9.500 9.552 1.00 35.44 H new ATOM 0 HE2 LYS A 21 -1.959 10.832 7.608 1.00 24.44 H new ATOM 0 HE3 LYS A 21 -1.696 9.372 6.676 1.00 24.44 H new ATOM 0 HZ1 LYS A 21 -3.787 10.372 6.100 1.00 21.11 H new ATOM 0 HZ2 LYS A 21 -4.072 8.880 6.859 1.00 21.11 H new ATOM 0 HZ3 LYS A 21 -4.312 10.327 7.714 1.00 21.11 H new ATOM 337 N LEU A 22 2.867 7.455 6.445 1.00 14.32 N ATOM 338 CA LEU A 22 3.552 6.585 5.456 1.00 23.04 C ATOM 339 C LEU A 22 4.920 6.113 5.997 1.00 70.33 C ATOM 340 O LEU A 22 5.261 4.936 5.883 1.00 21.12 O ATOM 341 CB LEU A 22 3.691 7.318 4.072 1.00 4.45 C ATOM 342 CG LEU A 22 3.391 6.451 2.808 1.00 64.04 C ATOM 343 CD1 LEU A 22 3.280 7.336 1.547 1.00 62.30 C ATOM 344 CD2 LEU A 22 4.426 5.319 2.636 1.00 63.10 C ATOM 0 H LEU A 22 2.763 8.424 6.144 1.00 14.32 H new ATOM 0 HA LEU A 22 2.942 5.696 5.294 1.00 23.04 H new ATOM 0 HB2 LEU A 22 3.019 8.176 4.068 1.00 4.45 H new ATOM 0 HB3 LEU A 22 4.706 7.707 3.989 1.00 4.45 H new ATOM 0 HG LEU A 22 2.424 5.969 2.953 1.00 64.04 H new ATOM 0 HD11 LEU A 22 3.071 6.709 0.680 1.00 62.30 H new ATOM 0 HD12 LEU A 22 2.472 8.056 1.678 1.00 62.30 H new ATOM 0 HD13 LEU A 22 4.219 7.868 1.392 1.00 62.30 H new ATOM 0 HD21 LEU A 22 4.185 4.737 1.746 1.00 63.10 H new ATOM 0 HD22 LEU A 22 5.422 5.750 2.529 1.00 63.10 H new ATOM 0 HD23 LEU A 22 4.404 4.670 3.511 1.00 63.10 H new ATOM 356 N ARG A 23 5.682 7.046 6.594 1.00 25.34 N ATOM 357 CA ARG A 23 6.975 6.741 7.238 1.00 60.44 C ATOM 358 C ARG A 23 6.750 5.771 8.415 1.00 20.41 C ATOM 359 O ARG A 23 7.294 4.662 8.420 1.00 60.11 O ATOM 360 CB ARG A 23 7.673 8.037 7.752 1.00 33.23 C ATOM 361 CG ARG A 23 8.066 9.062 6.663 1.00 43.15 C ATOM 362 CD ARG A 23 8.676 10.350 7.263 1.00 4.23 C ATOM 363 NE ARG A 23 7.796 10.975 8.294 1.00 33.31 N ATOM 364 CZ ARG A 23 8.025 10.963 9.630 1.00 72.35 C ATOM 365 NH1 ARG A 23 9.102 10.371 10.122 1.00 61.21 N ATOM 366 NH2 ARG A 23 7.157 11.512 10.452 1.00 21.32 N ATOM 0 H ARG A 23 5.421 8.031 6.645 1.00 25.34 H new ATOM 0 HA ARG A 23 7.625 6.279 6.495 1.00 60.44 H new ATOM 0 HB2 ARG A 23 7.009 8.527 8.464 1.00 33.23 H new ATOM 0 HB3 ARG A 23 8.572 7.752 8.298 1.00 33.23 H new ATOM 0 HG2 ARG A 23 8.783 8.607 5.980 1.00 43.15 H new ATOM 0 HG3 ARG A 23 7.185 9.320 6.075 1.00 43.15 H new ATOM 0 HD2 ARG A 23 9.643 10.116 7.709 1.00 4.23 H new ATOM 0 HD3 ARG A 23 8.859 11.068 6.463 1.00 4.23 H new ATOM 0 HE ARG A 23 6.954 11.449 7.967 1.00 33.31 H new ATOM 0 HH11 ARG A 23 9.767 9.919 9.494 1.00 61.21 H new ATOM 0 HH12 ARG A 23 9.267 10.367 11.129 1.00 61.21 H new ATOM 0 HH21 ARG A 23 6.311 11.947 10.084 1.00 21.32 H new ATOM 0 HH22 ARG A 23 7.330 11.503 11.457 1.00 21.32 H new ATOM 380 N ASP A 24 5.881 6.187 9.364 1.00 51.34 N ATOM 381 CA ASP A 24 5.624 5.453 10.636 1.00 53.21 C ATOM 382 C ASP A 24 5.122 4.010 10.371 1.00 14.04 C ATOM 383 O ASP A 24 5.476 3.072 11.094 1.00 73.05 O ATOM 384 CB ASP A 24 4.604 6.244 11.508 1.00 61.24 C ATOM 385 CG ASP A 24 4.541 5.761 12.970 1.00 73.44 C ATOM 386 OD1 ASP A 24 5.320 6.278 13.810 1.00 62.53 O ATOM 387 OD2 ASP A 24 3.720 4.872 13.294 1.00 24.12 O ATOM 0 H ASP A 24 5.334 7.043 9.274 1.00 51.34 H new ATOM 0 HA ASP A 24 6.566 5.372 11.178 1.00 53.21 H new ATOM 0 HB2 ASP A 24 4.869 7.301 11.494 1.00 61.24 H new ATOM 0 HB3 ASP A 24 3.613 6.158 11.062 1.00 61.24 H new ATOM 392 N PHE A 25 4.324 3.860 9.302 1.00 0.33 N ATOM 393 CA PHE A 25 3.774 2.563 8.853 1.00 70.13 C ATOM 394 C PHE A 25 4.858 1.704 8.168 1.00 20.32 C ATOM 395 O PHE A 25 5.267 0.661 8.706 1.00 74.24 O ATOM 396 CB PHE A 25 2.582 2.842 7.885 1.00 32.11 C ATOM 397 CG PHE A 25 2.002 1.643 7.125 1.00 24.22 C ATOM 398 CD1 PHE A 25 1.034 0.836 7.700 1.00 64.23 C ATOM 399 CD2 PHE A 25 2.408 1.358 5.817 1.00 61.54 C ATOM 400 CE1 PHE A 25 0.500 -0.218 6.998 1.00 45.40 C ATOM 401 CE2 PHE A 25 1.874 0.302 5.120 1.00 50.51 C ATOM 402 CZ PHE A 25 0.915 -0.485 5.711 1.00 50.50 C ATOM 0 H PHE A 25 4.037 4.643 8.715 1.00 0.33 H new ATOM 0 HA PHE A 25 3.422 1.997 9.715 1.00 70.13 H new ATOM 0 HB2 PHE A 25 1.777 3.298 8.462 1.00 32.11 H new ATOM 0 HB3 PHE A 25 2.907 3.581 7.153 1.00 32.11 H new ATOM 0 HD1 PHE A 25 0.697 1.036 8.706 1.00 64.23 H new ATOM 0 HD2 PHE A 25 3.155 1.980 5.347 1.00 61.54 H new ATOM 0 HE1 PHE A 25 -0.251 -0.842 7.459 1.00 45.40 H new ATOM 0 HE2 PHE A 25 2.206 0.091 4.114 1.00 50.51 H new ATOM 0 HZ PHE A 25 0.486 -1.313 5.167 1.00 50.50 H new ATOM 412 N THR A 26 5.338 2.185 7.005 1.00 51.13 N ATOM 413 CA THR A 26 6.135 1.377 6.062 1.00 73.24 C ATOM 414 C THR A 26 7.537 1.045 6.600 1.00 64.32 C ATOM 415 O THR A 26 7.998 -0.082 6.435 1.00 63.55 O ATOM 416 CB THR A 26 6.260 2.093 4.676 1.00 73.14 C ATOM 417 OG1 THR A 26 4.954 2.454 4.206 1.00 1.21 O ATOM 418 CG2 THR A 26 6.957 1.214 3.612 1.00 43.32 C ATOM 0 H THR A 26 5.184 3.144 6.693 1.00 51.13 H new ATOM 0 HA THR A 26 5.597 0.437 5.939 1.00 73.24 H new ATOM 0 HB THR A 26 6.877 2.979 4.825 1.00 73.14 H new ATOM 0 HG1 THR A 26 4.439 1.642 4.016 1.00 1.21 H new ATOM 0 HG21 THR A 26 7.016 1.761 2.671 1.00 43.32 H new ATOM 0 HG22 THR A 26 7.962 0.962 3.950 1.00 43.32 H new ATOM 0 HG23 THR A 26 6.384 0.298 3.464 1.00 43.32 H new ATOM 426 N ARG A 27 8.172 2.017 7.291 1.00 51.13 N ATOM 427 CA ARG A 27 9.622 1.965 7.637 1.00 60.41 C ATOM 428 C ARG A 27 10.025 0.684 8.417 1.00 60.20 C ATOM 429 O ARG A 27 11.153 0.187 8.273 1.00 13.03 O ATOM 430 CB ARG A 27 10.018 3.228 8.458 1.00 21.10 C ATOM 431 CG ARG A 27 11.529 3.348 8.763 1.00 54.42 C ATOM 432 CD ARG A 27 12.388 3.459 7.484 1.00 21.50 C ATOM 433 NE ARG A 27 13.821 3.281 7.772 1.00 71.42 N ATOM 434 CZ ARG A 27 14.479 2.105 7.735 1.00 40.14 C ATOM 435 NH1 ARG A 27 13.850 0.968 7.419 1.00 62.52 N ATOM 436 NH2 ARG A 27 15.765 2.071 8.023 1.00 30.03 N ATOM 0 H ARG A 27 7.703 2.858 7.626 1.00 51.13 H new ATOM 0 HA ARG A 27 10.165 1.940 6.692 1.00 60.41 H new ATOM 0 HB2 ARG A 27 9.699 4.116 7.911 1.00 21.10 H new ATOM 0 HB3 ARG A 27 9.470 3.220 9.400 1.00 21.10 H new ATOM 0 HG2 ARG A 27 11.701 4.224 9.388 1.00 54.42 H new ATOM 0 HG3 ARG A 27 11.850 2.479 9.337 1.00 54.42 H new ATOM 0 HD2 ARG A 27 12.066 2.708 6.763 1.00 21.50 H new ATOM 0 HD3 ARG A 27 12.228 4.433 7.022 1.00 21.50 H new ATOM 0 HE ARG A 27 14.358 4.112 8.019 1.00 71.42 H new ATOM 0 HH11 ARG A 27 12.854 0.980 7.200 1.00 62.52 H new ATOM 0 HH12 ARG A 27 14.366 0.089 7.397 1.00 62.52 H new ATOM 0 HH21 ARG A 27 16.255 2.930 8.272 1.00 30.03 H new ATOM 0 HH22 ARG A 27 16.270 1.185 7.997 1.00 30.03 H new ATOM 450 N ALA A 28 9.081 0.164 9.219 1.00 23.13 N ATOM 451 CA ALA A 28 9.306 -1.008 10.089 1.00 73.54 C ATOM 452 C ALA A 28 9.579 -2.303 9.284 1.00 41.43 C ATOM 453 O ALA A 28 10.362 -3.153 9.727 1.00 41.32 O ATOM 454 CB ALA A 28 8.106 -1.198 11.036 1.00 50.21 C ATOM 0 H ALA A 28 8.137 0.544 9.284 1.00 23.13 H new ATOM 0 HA ALA A 28 10.203 -0.811 10.676 1.00 73.54 H new ATOM 0 HB1 ALA A 28 8.280 -2.064 11.674 1.00 50.21 H new ATOM 0 HB2 ALA A 28 7.987 -0.309 11.655 1.00 50.21 H new ATOM 0 HB3 ALA A 28 7.201 -1.355 10.449 1.00 50.21 H new ATOM 460 N TYR A 29 8.944 -2.439 8.102 1.00 35.42 N ATOM 461 CA TYR A 29 9.042 -3.658 7.263 1.00 42.23 C ATOM 462 C TYR A 29 9.319 -3.311 5.789 1.00 13.44 C ATOM 463 O TYR A 29 8.879 -2.284 5.272 1.00 21.33 O ATOM 464 CB TYR A 29 7.759 -4.527 7.416 1.00 12.13 C ATOM 465 CG TYR A 29 6.467 -3.719 7.604 1.00 71.53 C ATOM 466 CD1 TYR A 29 5.866 -3.057 6.533 1.00 3.22 C ATOM 467 CD2 TYR A 29 5.864 -3.616 8.858 1.00 33.23 C ATOM 468 CE1 TYR A 29 4.713 -2.321 6.713 1.00 30.50 C ATOM 469 CE2 TYR A 29 4.717 -2.886 9.035 1.00 63.43 C ATOM 470 CZ TYR A 29 4.144 -2.246 7.963 1.00 23.24 C ATOM 471 OH TYR A 29 3.009 -1.526 8.148 1.00 11.41 O ATOM 0 H TYR A 29 8.351 -1.713 7.701 1.00 35.42 H new ATOM 0 HA TYR A 29 9.892 -4.243 7.614 1.00 42.23 H new ATOM 0 HB2 TYR A 29 7.654 -5.158 6.533 1.00 12.13 H new ATOM 0 HB3 TYR A 29 7.885 -5.193 8.270 1.00 12.13 H new ATOM 0 HD1 TYR A 29 6.309 -3.122 5.550 1.00 3.22 H new ATOM 0 HD2 TYR A 29 6.308 -4.120 9.704 1.00 33.23 H new ATOM 0 HE1 TYR A 29 4.260 -1.807 5.878 1.00 30.50 H new ATOM 0 HE2 TYR A 29 4.266 -2.814 10.014 1.00 63.43 H new ATOM 0 HH TYR A 29 2.570 -1.379 7.284 1.00 11.41 H new ATOM 481 N GLU A 30 10.041 -4.217 5.119 1.00 41.35 N ATOM 482 CA GLU A 30 10.659 -3.978 3.797 1.00 40.03 C ATOM 483 C GLU A 30 10.361 -5.197 2.871 1.00 61.32 C ATOM 484 O GLU A 30 9.624 -6.091 3.298 1.00 54.31 O ATOM 485 CB GLU A 30 12.191 -3.763 4.038 1.00 71.34 C ATOM 486 CG GLU A 30 12.535 -2.568 4.969 1.00 55.34 C ATOM 487 CD GLU A 30 14.007 -2.553 5.422 1.00 75.45 C ATOM 488 OE1 GLU A 30 14.873 -2.087 4.651 1.00 1.12 O ATOM 489 OE2 GLU A 30 14.309 -3.024 6.543 1.00 34.51 O ATOM 0 H GLU A 30 10.219 -5.154 5.481 1.00 41.35 H new ATOM 0 HA GLU A 30 10.255 -3.096 3.300 1.00 40.03 H new ATOM 0 HB2 GLU A 30 12.610 -4.673 4.467 1.00 71.34 H new ATOM 0 HB3 GLU A 30 12.679 -3.610 3.076 1.00 71.34 H new ATOM 0 HG2 GLU A 30 12.312 -1.636 4.450 1.00 55.34 H new ATOM 0 HG3 GLU A 30 11.892 -2.604 5.848 1.00 55.34 H new ATOM 496 N PRO A 31 10.844 -5.263 1.573 1.00 44.11 N ATOM 497 CA PRO A 31 10.698 -6.505 0.762 1.00 44.13 C ATOM 498 C PRO A 31 11.440 -7.718 1.399 1.00 71.33 C ATOM 499 O PRO A 31 10.801 -8.628 1.945 1.00 12.12 O ATOM 500 CB PRO A 31 11.264 -6.111 -0.630 1.00 44.14 C ATOM 501 CG PRO A 31 12.132 -4.911 -0.379 1.00 13.35 C ATOM 502 CD PRO A 31 11.473 -4.163 0.759 1.00 61.04 C ATOM 0 HA PRO A 31 9.664 -6.845 0.699 1.00 44.13 H new ATOM 0 HB2 PRO A 31 11.839 -6.928 -1.067 1.00 44.14 H new ATOM 0 HB3 PRO A 31 10.461 -5.877 -1.329 1.00 44.14 H new ATOM 0 HG2 PRO A 31 13.147 -5.209 -0.116 1.00 13.35 H new ATOM 0 HG3 PRO A 31 12.204 -4.286 -1.269 1.00 13.35 H new ATOM 0 HD2 PRO A 31 12.198 -3.595 1.341 1.00 61.04 H new ATOM 0 HD3 PRO A 31 10.729 -3.453 0.397 1.00 61.04 H new ATOM 510 N ASP A 32 12.778 -7.690 1.393 1.00 1.54 N ATOM 511 CA ASP A 32 13.612 -8.816 1.872 1.00 52.53 C ATOM 512 C ASP A 32 13.501 -9.031 3.400 1.00 41.43 C ATOM 513 O ASP A 32 13.559 -10.173 3.879 1.00 14.15 O ATOM 514 CB ASP A 32 15.089 -8.577 1.462 1.00 3.24 C ATOM 515 CG ASP A 32 15.278 -8.520 -0.066 1.00 34.05 C ATOM 516 OD1 ASP A 32 14.986 -7.463 -0.671 1.00 31.23 O ATOM 517 OD2 ASP A 32 15.705 -9.532 -0.671 1.00 61.15 O ATOM 0 H ASP A 32 13.319 -6.892 1.059 1.00 1.54 H new ATOM 0 HA ASP A 32 13.240 -9.726 1.402 1.00 52.53 H new ATOM 0 HB2 ASP A 32 15.438 -7.643 1.903 1.00 3.24 H new ATOM 0 HB3 ASP A 32 15.709 -9.374 1.872 1.00 3.24 H new ATOM 522 N SER A 33 13.301 -7.929 4.144 1.00 65.33 N ATOM 523 CA SER A 33 13.350 -7.923 5.627 1.00 2.14 C ATOM 524 C SER A 33 12.142 -8.641 6.286 1.00 41.31 C ATOM 525 O SER A 33 12.220 -9.014 7.459 1.00 43.44 O ATOM 526 CB SER A 33 13.476 -6.465 6.127 1.00 64.03 C ATOM 527 OG SER A 33 13.705 -6.390 7.524 1.00 63.50 O ATOM 0 H SER A 33 13.100 -7.014 3.739 1.00 65.33 H new ATOM 0 HA SER A 33 14.227 -8.495 5.929 1.00 2.14 H new ATOM 0 HB2 SER A 33 14.294 -5.973 5.601 1.00 64.03 H new ATOM 0 HB3 SER A 33 12.565 -5.920 5.881 1.00 64.03 H new ATOM 0 HG SER A 33 13.779 -5.451 7.793 1.00 63.50 H new ATOM 533 N VAL A 34 11.027 -8.836 5.545 1.00 3.00 N ATOM 534 CA VAL A 34 9.868 -9.632 6.044 1.00 72.14 C ATOM 535 C VAL A 34 9.455 -10.712 5.034 1.00 12.42 C ATOM 536 O VAL A 34 8.271 -11.069 4.927 1.00 62.35 O ATOM 537 CB VAL A 34 8.630 -8.750 6.488 1.00 20.23 C ATOM 538 CG1 VAL A 34 8.921 -8.014 7.820 1.00 22.02 C ATOM 539 CG2 VAL A 34 8.198 -7.758 5.391 1.00 21.52 C ATOM 0 H VAL A 34 10.900 -8.459 4.606 1.00 3.00 H new ATOM 0 HA VAL A 34 10.217 -10.125 6.951 1.00 72.14 H new ATOM 0 HB VAL A 34 7.794 -9.431 6.649 1.00 20.23 H new ATOM 0 HG11 VAL A 34 8.055 -7.416 8.102 1.00 22.02 H new ATOM 0 HG12 VAL A 34 9.127 -8.745 8.602 1.00 22.02 H new ATOM 0 HG13 VAL A 34 9.786 -7.363 7.694 1.00 22.02 H new ATOM 0 HG21 VAL A 34 7.346 -7.176 5.742 1.00 21.52 H new ATOM 0 HG22 VAL A 34 9.026 -7.087 5.161 1.00 21.52 H new ATOM 0 HG23 VAL A 34 7.916 -8.308 4.493 1.00 21.52 H new ATOM 549 N LEU A 35 10.479 -11.248 4.323 1.00 42.42 N ATOM 550 CA LEU A 35 10.412 -12.566 3.634 1.00 70.33 C ATOM 551 C LEU A 35 9.360 -12.618 2.481 1.00 34.11 C ATOM 552 O LEU A 35 8.686 -11.617 2.196 1.00 52.12 O ATOM 553 CB LEU A 35 10.130 -13.692 4.700 1.00 53.32 C ATOM 554 CG LEU A 35 11.327 -14.150 5.603 1.00 44.31 C ATOM 555 CD1 LEU A 35 11.895 -13.005 6.482 1.00 44.03 C ATOM 556 CD2 LEU A 35 10.910 -15.361 6.465 1.00 31.32 C ATOM 0 H LEU A 35 11.378 -10.779 4.210 1.00 42.42 H new ATOM 0 HA LEU A 35 11.377 -12.730 3.155 1.00 70.33 H new ATOM 0 HB2 LEU A 35 9.330 -13.344 5.353 1.00 53.32 H new ATOM 0 HB3 LEU A 35 9.752 -14.568 4.172 1.00 53.32 H new ATOM 0 HG LEU A 35 12.137 -14.448 4.937 1.00 44.31 H new ATOM 0 HD11 LEU A 35 12.721 -13.384 7.084 1.00 44.03 H new ATOM 0 HD12 LEU A 35 12.253 -12.198 5.842 1.00 44.03 H new ATOM 0 HD13 LEU A 35 11.111 -12.627 7.138 1.00 44.03 H new ATOM 0 HD21 LEU A 35 11.749 -15.670 7.088 1.00 31.32 H new ATOM 0 HD22 LEU A 35 10.069 -15.083 7.101 1.00 31.32 H new ATOM 0 HD23 LEU A 35 10.617 -16.186 5.816 1.00 31.32 H new ATOM 568 N PRO A 36 9.257 -13.773 1.736 1.00 10.21 N ATOM 569 CA PRO A 36 8.007 -14.151 1.024 1.00 1.53 C ATOM 570 C PRO A 36 6.845 -14.399 2.018 1.00 74.42 C ATOM 571 O PRO A 36 7.055 -14.451 3.242 1.00 4.31 O ATOM 572 CB PRO A 36 8.392 -15.477 0.293 1.00 53.31 C ATOM 573 CG PRO A 36 9.878 -15.431 0.173 1.00 63.34 C ATOM 574 CD PRO A 36 10.353 -14.743 1.435 1.00 53.41 C ATOM 0 HA PRO A 36 7.658 -13.370 0.349 1.00 1.53 H new ATOM 0 HB2 PRO A 36 8.068 -16.349 0.861 1.00 53.31 H new ATOM 0 HB3 PRO A 36 7.918 -15.540 -0.687 1.00 53.31 H new ATOM 0 HG2 PRO A 36 10.298 -16.433 0.088 1.00 63.34 H new ATOM 0 HG3 PRO A 36 10.185 -14.880 -0.716 1.00 63.34 H new ATOM 0 HD2 PRO A 36 10.496 -15.453 2.250 1.00 53.41 H new ATOM 0 HD3 PRO A 36 11.306 -14.237 1.282 1.00 53.41 H new ATOM 582 N LEU A 37 5.627 -14.576 1.491 1.00 10.44 N ATOM 583 CA LEU A 37 4.457 -14.942 2.307 1.00 31.13 C ATOM 584 C LEU A 37 4.101 -16.418 2.005 1.00 72.45 C ATOM 585 O LEU A 37 4.658 -17.330 2.627 1.00 15.44 O ATOM 586 CB LEU A 37 3.268 -13.969 2.052 1.00 31.53 C ATOM 587 CG LEU A 37 3.489 -12.456 2.355 1.00 33.03 C ATOM 588 CD1 LEU A 37 2.176 -11.661 2.121 1.00 62.02 C ATOM 589 CD2 LEU A 37 4.046 -12.235 3.787 1.00 54.13 C ATOM 0 H LEU A 37 5.423 -14.471 0.497 1.00 10.44 H new ATOM 0 HA LEU A 37 4.688 -14.849 3.368 1.00 31.13 H new ATOM 0 HB2 LEU A 37 2.978 -14.062 1.006 1.00 31.53 H new ATOM 0 HB3 LEU A 37 2.422 -14.310 2.649 1.00 31.53 H new ATOM 0 HG LEU A 37 4.242 -12.077 1.664 1.00 33.03 H new ATOM 0 HD11 LEU A 37 2.346 -10.606 2.337 1.00 62.02 H new ATOM 0 HD12 LEU A 37 1.863 -11.773 1.083 1.00 62.02 H new ATOM 0 HD13 LEU A 37 1.396 -12.045 2.779 1.00 62.02 H new ATOM 0 HD21 LEU A 37 4.187 -11.168 3.962 1.00 54.13 H new ATOM 0 HD22 LEU A 37 3.341 -12.632 4.517 1.00 54.13 H new ATOM 0 HD23 LEU A 37 5.002 -12.749 3.889 1.00 54.13 H new ATOM 601 N ALA A 38 3.174 -16.642 1.049 1.00 23.44 N ATOM 602 CA ALA A 38 2.991 -17.933 0.361 1.00 34.10 C ATOM 603 C ALA A 38 3.610 -17.742 -1.023 1.00 33.35 C ATOM 604 O ALA A 38 3.119 -16.903 -1.809 1.00 2.12 O ATOM 605 CB ALA A 38 1.488 -18.324 0.272 1.00 24.31 C ATOM 0 H ALA A 38 2.526 -15.922 0.731 1.00 23.44 H new ATOM 0 HA ALA A 38 3.468 -18.750 0.902 1.00 34.10 H new ATOM 0 HB1 ALA A 38 1.391 -19.281 -0.241 1.00 24.31 H new ATOM 0 HB2 ALA A 38 1.074 -18.407 1.277 1.00 24.31 H new ATOM 0 HB3 ALA A 38 0.945 -17.558 -0.282 1.00 24.31 H new ATOM 611 N ASP A 39 4.701 -18.485 -1.299 1.00 75.54 N ATOM 612 CA ASP A 39 5.598 -18.182 -2.424 1.00 62.05 C ATOM 613 C ASP A 39 4.882 -18.299 -3.779 1.00 62.34 C ATOM 614 O ASP A 39 4.264 -19.325 -4.085 1.00 72.41 O ATOM 615 CB ASP A 39 6.889 -19.038 -2.388 1.00 62.12 C ATOM 616 CG ASP A 39 7.953 -18.494 -3.368 1.00 41.23 C ATOM 617 OD1 ASP A 39 8.411 -17.344 -3.166 1.00 71.42 O ATOM 618 OD2 ASP A 39 8.294 -19.178 -4.357 1.00 42.52 O ATOM 0 H ASP A 39 4.980 -19.301 -0.754 1.00 75.54 H new ATOM 0 HA ASP A 39 5.901 -17.141 -2.308 1.00 62.05 H new ATOM 0 HB2 ASP A 39 7.294 -19.046 -1.376 1.00 62.12 H new ATOM 0 HB3 ASP A 39 6.650 -20.070 -2.644 1.00 62.12 H new ATOM 623 N GLY A 40 4.982 -17.219 -4.566 1.00 74.54 N ATOM 624 CA GLY A 40 4.254 -17.068 -5.818 1.00 30.10 C ATOM 625 C GLY A 40 3.336 -15.860 -5.760 1.00 53.32 C ATOM 626 O GLY A 40 3.814 -14.720 -5.846 1.00 55.42 O ATOM 0 H GLY A 40 5.578 -16.422 -4.343 1.00 74.54 H new ATOM 0 HA2 GLY A 40 4.958 -16.957 -6.643 1.00 30.10 H new ATOM 0 HA3 GLY A 40 3.670 -17.967 -6.016 1.00 30.10 H new ATOM 630 N VAL A 41 2.024 -16.101 -5.582 1.00 10.42 N ATOM 631 CA VAL A 41 1.005 -15.026 -5.568 1.00 41.01 C ATOM 632 C VAL A 41 1.261 -14.040 -4.412 1.00 14.25 C ATOM 633 O VAL A 41 1.514 -12.863 -4.644 1.00 51.23 O ATOM 634 CB VAL A 41 -0.459 -15.602 -5.456 1.00 14.22 C ATOM 635 CG1 VAL A 41 -1.535 -14.483 -5.543 1.00 32.32 C ATOM 636 CG2 VAL A 41 -0.709 -16.709 -6.505 1.00 75.03 C ATOM 0 H VAL A 41 1.639 -17.036 -5.445 1.00 10.42 H new ATOM 0 HA VAL A 41 1.092 -14.498 -6.518 1.00 41.01 H new ATOM 0 HB VAL A 41 -0.550 -16.054 -4.468 1.00 14.22 H new ATOM 0 HG11 VAL A 41 -2.528 -14.926 -5.461 1.00 32.32 H new ATOM 0 HG12 VAL A 41 -1.387 -13.772 -4.730 1.00 32.32 H new ATOM 0 HG13 VAL A 41 -1.446 -13.966 -6.498 1.00 32.32 H new ATOM 0 HG21 VAL A 41 -1.727 -17.085 -6.401 1.00 75.03 H new ATOM 0 HG22 VAL A 41 -0.574 -16.299 -7.506 1.00 75.03 H new ATOM 0 HG23 VAL A 41 -0.003 -17.525 -6.349 1.00 75.03 H new ATOM 646 N LEU A 42 1.261 -14.558 -3.173 1.00 74.03 N ATOM 647 CA LEU A 42 1.261 -13.724 -1.951 1.00 24.52 C ATOM 648 C LEU A 42 2.597 -12.993 -1.737 1.00 10.44 C ATOM 649 O LEU A 42 2.614 -11.888 -1.180 1.00 74.14 O ATOM 650 CB LEU A 42 0.878 -14.568 -0.707 1.00 52.21 C ATOM 651 CG LEU A 42 -0.624 -15.014 -0.585 1.00 54.33 C ATOM 652 CD1 LEU A 42 -1.586 -13.798 -0.626 1.00 62.11 C ATOM 653 CD2 LEU A 42 -1.020 -16.093 -1.625 1.00 12.03 C ATOM 0 H LEU A 42 1.261 -15.561 -2.986 1.00 74.03 H new ATOM 0 HA LEU A 42 0.503 -12.953 -2.091 1.00 24.52 H new ATOM 0 HB2 LEU A 42 1.499 -15.464 -0.700 1.00 52.21 H new ATOM 0 HB3 LEU A 42 1.135 -13.995 0.184 1.00 52.21 H new ATOM 0 HG LEU A 42 -0.725 -15.483 0.394 1.00 54.33 H new ATOM 0 HD11 LEU A 42 -2.615 -14.145 -0.539 1.00 62.11 H new ATOM 0 HD12 LEU A 42 -1.359 -13.126 0.202 1.00 62.11 H new ATOM 0 HD13 LEU A 42 -1.461 -13.267 -1.569 1.00 62.11 H new ATOM 0 HD21 LEU A 42 -2.068 -16.360 -1.491 1.00 12.03 H new ATOM 0 HD22 LEU A 42 -0.871 -15.701 -2.631 1.00 12.03 H new ATOM 0 HD23 LEU A 42 -0.399 -16.978 -1.486 1.00 12.03 H new ATOM 665 N SER A 43 3.705 -13.616 -2.169 1.00 52.21 N ATOM 666 CA SER A 43 5.042 -12.974 -2.176 1.00 10.45 C ATOM 667 C SER A 43 5.047 -11.729 -3.084 1.00 52.11 C ATOM 668 O SER A 43 5.618 -10.686 -2.736 1.00 71.51 O ATOM 669 CB SER A 43 6.106 -13.986 -2.648 1.00 61.55 C ATOM 670 OG SER A 43 6.090 -15.132 -1.821 1.00 4.13 O ATOM 0 H SER A 43 3.707 -14.573 -2.522 1.00 52.21 H new ATOM 0 HA SER A 43 5.279 -12.654 -1.161 1.00 10.45 H new ATOM 0 HB2 SER A 43 5.913 -14.272 -3.682 1.00 61.55 H new ATOM 0 HB3 SER A 43 7.093 -13.525 -2.624 1.00 61.55 H new ATOM 0 HG SER A 43 5.239 -15.174 -1.337 1.00 4.13 H new ATOM 676 N PHE A 44 4.366 -11.866 -4.227 1.00 34.44 N ATOM 677 CA PHE A 44 4.232 -10.813 -5.240 1.00 10.53 C ATOM 678 C PHE A 44 3.268 -9.706 -4.745 1.00 14.04 C ATOM 679 O PHE A 44 3.540 -8.527 -4.970 1.00 4.21 O ATOM 680 CB PHE A 44 3.817 -11.485 -6.605 1.00 34.32 C ATOM 681 CG PHE A 44 2.749 -10.793 -7.460 1.00 20.53 C ATOM 682 CD1 PHE A 44 3.009 -9.593 -8.112 1.00 41.31 C ATOM 683 CD2 PHE A 44 1.496 -11.381 -7.635 1.00 11.25 C ATOM 684 CE1 PHE A 44 2.055 -9.002 -8.913 1.00 32.21 C ATOM 685 CE2 PHE A 44 0.542 -10.790 -8.430 1.00 45.32 C ATOM 686 CZ PHE A 44 0.820 -9.597 -9.068 1.00 62.23 C ATOM 0 H PHE A 44 3.883 -12.729 -4.479 1.00 34.44 H new ATOM 0 HA PHE A 44 5.179 -10.301 -5.412 1.00 10.53 H new ATOM 0 HB2 PHE A 44 4.716 -11.586 -7.213 1.00 34.32 H new ATOM 0 HB3 PHE A 44 3.466 -12.493 -6.386 1.00 34.32 H new ATOM 0 HD1 PHE A 44 3.971 -9.117 -7.989 1.00 41.31 H new ATOM 0 HD2 PHE A 44 1.272 -12.314 -7.139 1.00 11.25 H new ATOM 0 HE1 PHE A 44 2.274 -8.073 -9.419 1.00 32.21 H new ATOM 0 HE2 PHE A 44 -0.423 -11.258 -8.555 1.00 45.32 H new ATOM 0 HZ PHE A 44 0.070 -9.130 -9.689 1.00 62.23 H new ATOM 696 N ILE A 45 2.177 -10.086 -4.029 1.00 50.21 N ATOM 697 CA ILE A 45 1.231 -9.101 -3.438 1.00 22.44 C ATOM 698 C ILE A 45 1.973 -8.244 -2.390 1.00 22.35 C ATOM 699 O ILE A 45 1.838 -7.022 -2.368 1.00 63.02 O ATOM 700 CB ILE A 45 -0.031 -9.756 -2.733 1.00 64.34 C ATOM 701 CG1 ILE A 45 -0.688 -10.886 -3.591 1.00 32.45 C ATOM 702 CG2 ILE A 45 -1.069 -8.664 -2.370 1.00 12.21 C ATOM 703 CD1 ILE A 45 -1.095 -10.511 -5.006 1.00 4.14 C ATOM 0 H ILE A 45 1.932 -11.059 -3.848 1.00 50.21 H new ATOM 0 HA ILE A 45 0.862 -8.504 -4.272 1.00 22.44 H new ATOM 0 HB ILE A 45 0.324 -10.232 -1.819 1.00 64.34 H new ATOM 0 HG12 ILE A 45 0.009 -11.722 -3.646 1.00 32.45 H new ATOM 0 HG13 ILE A 45 -1.573 -11.244 -3.065 1.00 32.45 H new ATOM 0 HG21 ILE A 45 -1.930 -9.126 -1.887 1.00 12.21 H new ATOM 0 HG22 ILE A 45 -0.616 -7.943 -1.690 1.00 12.21 H new ATOM 0 HG23 ILE A 45 -1.393 -8.154 -3.277 1.00 12.21 H new ATOM 0 HD11 ILE A 45 -1.538 -11.377 -5.499 1.00 4.14 H new ATOM 0 HD12 ILE A 45 -1.823 -9.701 -4.972 1.00 4.14 H new ATOM 0 HD13 ILE A 45 -0.216 -10.186 -5.563 1.00 4.14 H new ATOM 715 N HIS A 46 2.758 -8.936 -1.536 1.00 3.23 N ATOM 716 CA HIS A 46 3.648 -8.312 -0.532 1.00 10.43 C ATOM 717 C HIS A 46 4.613 -7.317 -1.198 1.00 54.45 C ATOM 718 O HIS A 46 4.741 -6.166 -0.745 1.00 63.24 O ATOM 719 CB HIS A 46 4.445 -9.414 0.222 1.00 10.43 C ATOM 720 CG HIS A 46 5.627 -8.917 1.024 1.00 22.23 C ATOM 721 ND1 HIS A 46 6.926 -9.274 0.748 1.00 71.21 N ATOM 722 CD2 HIS A 46 5.694 -8.051 2.060 1.00 42.01 C ATOM 723 CE1 HIS A 46 7.733 -8.640 1.572 1.00 41.50 C ATOM 724 NE2 HIS A 46 7.014 -7.894 2.375 1.00 51.14 N ATOM 0 H HIS A 46 2.792 -9.955 -1.524 1.00 3.23 H new ATOM 0 HA HIS A 46 3.035 -7.762 0.182 1.00 10.43 H new ATOM 0 HB2 HIS A 46 3.764 -9.937 0.894 1.00 10.43 H new ATOM 0 HB3 HIS A 46 4.800 -10.145 -0.505 1.00 10.43 H new ATOM 0 HD1 HIS A 46 7.218 -9.926 0.020 1.00 71.21 H new ATOM 0 HD2 HIS A 46 4.858 -7.572 2.548 1.00 42.01 H new ATOM 0 HE1 HIS A 46 8.810 -8.721 1.585 1.00 41.50 H new ATOM 733 N HIS A 47 5.284 -7.788 -2.269 1.00 64.11 N ATOM 734 CA HIS A 47 6.226 -6.970 -3.058 1.00 42.24 C ATOM 735 C HIS A 47 5.552 -5.679 -3.542 1.00 64.34 C ATOM 736 O HIS A 47 6.114 -4.607 -3.410 1.00 11.12 O ATOM 737 CB HIS A 47 6.778 -7.774 -4.272 1.00 50.02 C ATOM 738 CG HIS A 47 7.462 -6.917 -5.323 1.00 24.54 C ATOM 739 ND1 HIS A 47 6.839 -6.542 -6.499 1.00 0.23 N ATOM 740 CD2 HIS A 47 8.674 -6.304 -5.334 1.00 20.51 C ATOM 741 CE1 HIS A 47 7.633 -5.740 -7.178 1.00 2.21 C ATOM 742 NE2 HIS A 47 8.750 -5.578 -6.497 1.00 23.12 N ATOM 0 H HIS A 47 5.188 -8.744 -2.610 1.00 64.11 H new ATOM 0 HA HIS A 47 7.062 -6.705 -2.410 1.00 42.24 H new ATOM 0 HB2 HIS A 47 7.486 -8.519 -3.909 1.00 50.02 H new ATOM 0 HB3 HIS A 47 5.956 -8.316 -4.739 1.00 50.02 H new ATOM 0 HD2 HIS A 47 9.435 -6.374 -4.571 1.00 20.51 H new ATOM 0 HE1 HIS A 47 7.407 -5.290 -8.133 1.00 2.21 H new ATOM 0 HE2 HIS A 47 9.543 -5.006 -6.787 1.00 23.12 H new ATOM 751 N GLN A 48 4.345 -5.821 -4.092 1.00 73.24 N ATOM 752 CA GLN A 48 3.577 -4.703 -4.668 1.00 2.42 C ATOM 753 C GLN A 48 3.133 -3.687 -3.603 1.00 3.03 C ATOM 754 O GLN A 48 3.237 -2.479 -3.829 1.00 5.21 O ATOM 755 CB GLN A 48 2.359 -5.259 -5.428 1.00 3.41 C ATOM 756 CG GLN A 48 2.711 -6.070 -6.692 1.00 43.42 C ATOM 757 CD GLN A 48 3.291 -5.214 -7.808 1.00 2.14 C ATOM 758 OE1 GLN A 48 2.415 -4.588 -8.574 1.00 13.21 O flip ATOM 759 NE2 GLN A 48 4.508 -5.081 -7.950 1.00 2.13 N flip ATOM 0 H GLN A 48 3.865 -6.719 -4.153 1.00 73.24 H new ATOM 0 HA GLN A 48 4.230 -4.167 -5.357 1.00 2.42 H new ATOM 0 HB2 GLN A 48 1.784 -5.893 -4.753 1.00 3.41 H new ATOM 0 HB3 GLN A 48 1.714 -4.428 -5.713 1.00 3.41 H new ATOM 0 HG2 GLN A 48 3.428 -6.848 -6.429 1.00 43.42 H new ATOM 0 HG3 GLN A 48 1.814 -6.572 -7.056 1.00 43.42 H new ATOM 0 HE21 GLN A 48 5.151 -5.583 -7.337 1.00 2.13 H new ATOM 0 HE22 GLN A 48 4.872 -4.469 -8.680 1.00 2.13 H new ATOM 768 N ILE A 49 2.638 -4.190 -2.453 1.00 33.33 N ATOM 769 CA ILE A 49 2.193 -3.337 -1.334 1.00 65.33 C ATOM 770 C ILE A 49 3.367 -2.497 -0.793 1.00 41.30 C ATOM 771 O ILE A 49 3.265 -1.265 -0.697 1.00 64.12 O ATOM 772 CB ILE A 49 1.535 -4.192 -0.169 1.00 71.42 C ATOM 773 CG1 ILE A 49 0.154 -4.776 -0.622 1.00 21.23 C ATOM 774 CG2 ILE A 49 1.379 -3.377 1.149 1.00 4.21 C ATOM 775 CD1 ILE A 49 -0.545 -5.639 0.422 1.00 21.51 C ATOM 0 H ILE A 49 2.537 -5.189 -2.276 1.00 33.33 H new ATOM 0 HA ILE A 49 1.428 -2.663 -1.719 1.00 65.33 H new ATOM 0 HB ILE A 49 2.215 -5.017 0.043 1.00 71.42 H new ATOM 0 HG12 ILE A 49 -0.504 -3.950 -0.891 1.00 21.23 H new ATOM 0 HG13 ILE A 49 0.304 -5.370 -1.524 1.00 21.23 H new ATOM 0 HG21 ILE A 49 0.924 -4.006 1.914 1.00 4.21 H new ATOM 0 HG22 ILE A 49 2.360 -3.043 1.489 1.00 4.21 H new ATOM 0 HG23 ILE A 49 0.744 -2.510 0.968 1.00 4.21 H new ATOM 0 HD11 ILE A 49 -1.492 -5.999 0.021 1.00 21.51 H new ATOM 0 HD12 ILE A 49 0.089 -6.489 0.675 1.00 21.51 H new ATOM 0 HD13 ILE A 49 -0.732 -5.047 1.318 1.00 21.51 H new ATOM 787 N ILE A 50 4.488 -3.172 -0.479 1.00 34.15 N ATOM 788 CA ILE A 50 5.662 -2.504 0.119 1.00 1.43 C ATOM 789 C ILE A 50 6.353 -1.583 -0.904 1.00 22.21 C ATOM 790 O ILE A 50 6.729 -0.455 -0.560 1.00 53.02 O ATOM 791 CB ILE A 50 6.696 -3.533 0.715 1.00 64.01 C ATOM 792 CG1 ILE A 50 6.021 -4.440 1.794 1.00 54.04 C ATOM 793 CG2 ILE A 50 7.942 -2.811 1.301 1.00 42.01 C ATOM 794 CD1 ILE A 50 5.388 -3.696 2.972 1.00 1.03 C ATOM 0 H ILE A 50 4.607 -4.174 -0.628 1.00 34.15 H new ATOM 0 HA ILE A 50 5.291 -1.897 0.945 1.00 1.43 H new ATOM 0 HB ILE A 50 7.036 -4.170 -0.102 1.00 64.01 H new ATOM 0 HG12 ILE A 50 5.251 -5.041 1.310 1.00 54.04 H new ATOM 0 HG13 ILE A 50 6.768 -5.132 2.182 1.00 54.04 H new ATOM 0 HG21 ILE A 50 8.635 -3.550 1.704 1.00 42.01 H new ATOM 0 HG22 ILE A 50 8.436 -2.241 0.514 1.00 42.01 H new ATOM 0 HG23 ILE A 50 7.630 -2.135 2.097 1.00 42.01 H new ATOM 0 HD11 ILE A 50 4.948 -4.415 3.662 1.00 1.03 H new ATOM 0 HD12 ILE A 50 6.153 -3.117 3.490 1.00 1.03 H new ATOM 0 HD13 ILE A 50 4.612 -3.025 2.604 1.00 1.03 H new ATOM 806 N GLU A 51 6.499 -2.057 -2.165 1.00 20.30 N ATOM 807 CA GLU A 51 7.159 -1.266 -3.230 1.00 1.20 C ATOM 808 C GLU A 51 6.362 0.011 -3.497 1.00 33.24 C ATOM 809 O GLU A 51 6.947 1.078 -3.557 1.00 74.33 O ATOM 810 CB GLU A 51 7.337 -2.036 -4.574 1.00 73.32 C ATOM 811 CG GLU A 51 8.203 -1.283 -5.620 1.00 61.31 C ATOM 812 CD GLU A 51 8.156 -1.900 -7.030 1.00 10.24 C ATOM 813 OE1 GLU A 51 7.276 -1.521 -7.827 1.00 31.41 O ATOM 814 OE2 GLU A 51 8.998 -2.760 -7.355 1.00 20.10 O ATOM 0 H GLU A 51 6.172 -2.975 -2.467 1.00 20.30 H new ATOM 0 HA GLU A 51 8.158 -1.041 -2.857 1.00 1.20 H new ATOM 0 HB2 GLU A 51 7.793 -3.005 -4.369 1.00 73.32 H new ATOM 0 HB3 GLU A 51 6.354 -2.231 -5.003 1.00 73.32 H new ATOM 0 HG2 GLU A 51 7.868 -0.247 -5.676 1.00 61.31 H new ATOM 0 HG3 GLU A 51 9.237 -1.266 -5.276 1.00 61.31 H new ATOM 821 N LEU A 52 5.021 -0.120 -3.627 1.00 34.24 N ATOM 822 CA LEU A 52 4.135 1.034 -3.895 1.00 30.11 C ATOM 823 C LEU A 52 3.886 1.886 -2.657 1.00 74.44 C ATOM 824 O LEU A 52 3.424 3.009 -2.801 1.00 73.14 O ATOM 825 CB LEU A 52 2.785 0.624 -4.543 1.00 0.22 C ATOM 826 CG LEU A 52 2.834 0.227 -6.054 1.00 71.44 C ATOM 827 CD1 LEU A 52 1.410 0.114 -6.637 1.00 74.14 C ATOM 828 CD2 LEU A 52 3.708 1.214 -6.877 1.00 23.44 C ATOM 0 H LEU A 52 4.531 -1.011 -3.551 1.00 34.24 H new ATOM 0 HA LEU A 52 4.679 1.642 -4.618 1.00 30.11 H new ATOM 0 HB2 LEU A 52 2.377 -0.217 -3.982 1.00 0.22 H new ATOM 0 HB3 LEU A 52 2.086 1.452 -4.429 1.00 0.22 H new ATOM 0 HG LEU A 52 3.305 -0.753 -6.125 1.00 71.44 H new ATOM 0 HD11 LEU A 52 1.469 -0.163 -7.690 1.00 74.14 H new ATOM 0 HD12 LEU A 52 0.853 -0.648 -6.092 1.00 74.14 H new ATOM 0 HD13 LEU A 52 0.901 1.073 -6.542 1.00 74.14 H new ATOM 0 HD21 LEU A 52 3.718 0.906 -7.923 1.00 23.44 H new ATOM 0 HD22 LEU A 52 3.293 2.219 -6.799 1.00 23.44 H new ATOM 0 HD23 LEU A 52 4.726 1.210 -6.488 1.00 23.44 H new ATOM 840 N ALA A 53 4.141 1.355 -1.455 1.00 33.31 N ATOM 841 CA ALA A 53 4.187 2.182 -0.233 1.00 52.42 C ATOM 842 C ALA A 53 5.386 3.134 -0.326 1.00 43.50 C ATOM 843 O ALA A 53 5.245 4.361 -0.242 1.00 53.50 O ATOM 844 CB ALA A 53 4.278 1.311 1.025 1.00 42.40 C ATOM 0 H ALA A 53 4.318 0.363 -1.298 1.00 33.31 H new ATOM 0 HA ALA A 53 3.266 2.760 -0.156 1.00 52.42 H new ATOM 0 HB1 ALA A 53 4.310 1.949 1.908 1.00 42.40 H new ATOM 0 HB2 ALA A 53 3.406 0.659 1.080 1.00 42.40 H new ATOM 0 HB3 ALA A 53 5.183 0.704 0.983 1.00 42.40 H new ATOM 850 N ARG A 54 6.565 2.536 -0.572 1.00 54.44 N ATOM 851 CA ARG A 54 7.830 3.276 -0.694 1.00 23.52 C ATOM 852 C ARG A 54 7.840 4.181 -1.942 1.00 20.05 C ATOM 853 O ARG A 54 8.464 5.241 -1.936 1.00 4.01 O ATOM 854 CB ARG A 54 9.029 2.293 -0.742 1.00 41.33 C ATOM 855 CG ARG A 54 9.143 1.354 0.493 1.00 4.11 C ATOM 856 CD ARG A 54 10.597 1.014 0.835 1.00 23.51 C ATOM 857 NE ARG A 54 11.341 2.250 1.133 1.00 43.32 N ATOM 858 CZ ARG A 54 12.649 2.449 0.951 1.00 50.00 C ATOM 859 NH1 ARG A 54 13.428 1.483 0.469 1.00 21.31 N ATOM 860 NH2 ARG A 54 13.159 3.631 1.235 1.00 3.24 N ATOM 0 H ARG A 54 6.666 1.528 -0.691 1.00 54.44 H new ATOM 0 HA ARG A 54 7.924 3.914 0.185 1.00 23.52 H new ATOM 0 HB2 ARG A 54 8.946 1.682 -1.641 1.00 41.33 H new ATOM 0 HB3 ARG A 54 9.951 2.868 -0.832 1.00 41.33 H new ATOM 0 HG2 ARG A 54 8.672 1.830 1.353 1.00 4.11 H new ATOM 0 HG3 ARG A 54 8.593 0.433 0.298 1.00 4.11 H new ATOM 0 HD2 ARG A 54 10.631 0.342 1.693 1.00 23.51 H new ATOM 0 HD3 ARG A 54 11.064 0.490 0.001 1.00 23.51 H new ATOM 0 HE ARG A 54 10.805 3.029 1.515 1.00 43.32 H new ATOM 0 HH11 ARG A 54 13.028 0.575 0.233 1.00 21.31 H new ATOM 0 HH12 ARG A 54 14.425 1.651 0.336 1.00 21.31 H new ATOM 0 HH21 ARG A 54 12.557 4.375 1.587 1.00 3.24 H new ATOM 0 HH22 ARG A 54 14.156 3.802 1.102 1.00 3.24 H new ATOM 874 N ASP A 55 7.124 3.742 -2.990 1.00 23.44 N ATOM 875 CA ASP A 55 7.010 4.453 -4.282 1.00 2.12 C ATOM 876 C ASP A 55 6.036 5.623 -4.134 1.00 23.15 C ATOM 877 O ASP A 55 6.278 6.697 -4.664 1.00 20.04 O ATOM 878 CB ASP A 55 6.539 3.478 -5.395 1.00 64.12 C ATOM 879 CG ASP A 55 6.478 4.105 -6.797 1.00 21.21 C ATOM 880 OD1 ASP A 55 7.524 4.189 -7.473 1.00 31.21 O ATOM 881 OD2 ASP A 55 5.388 4.534 -7.222 1.00 53.41 O ATOM 0 H ASP A 55 6.598 2.869 -2.967 1.00 23.44 H new ATOM 0 HA ASP A 55 7.987 4.842 -4.569 1.00 2.12 H new ATOM 0 HB2 ASP A 55 7.213 2.622 -5.421 1.00 64.12 H new ATOM 0 HB3 ASP A 55 5.551 3.098 -5.136 1.00 64.12 H new ATOM 886 N CYS A 56 4.938 5.404 -3.389 1.00 4.25 N ATOM 887 CA CYS A 56 3.989 6.483 -3.049 1.00 63.30 C ATOM 888 C CYS A 56 4.688 7.528 -2.173 1.00 60.25 C ATOM 889 O CYS A 56 4.413 8.716 -2.295 1.00 22.51 O ATOM 890 CB CYS A 56 2.736 5.939 -2.322 1.00 30.33 C ATOM 891 SG CYS A 56 1.507 7.197 -1.894 1.00 53.01 S ATOM 0 H CYS A 56 4.685 4.491 -3.011 1.00 4.25 H new ATOM 0 HA CYS A 56 3.657 6.942 -3.980 1.00 63.30 H new ATOM 0 HB2 CYS A 56 2.263 5.188 -2.954 1.00 30.33 H new ATOM 0 HB3 CYS A 56 3.052 5.434 -1.409 1.00 30.33 H new ATOM 0 HG CYS A 56 0.501 6.634 -1.293 1.00 53.01 H new ATOM 897 N LEU A 57 5.613 7.060 -1.308 1.00 10.31 N ATOM 898 CA LEU A 57 6.415 7.933 -0.429 1.00 52.22 C ATOM 899 C LEU A 57 7.436 8.755 -1.247 1.00 43.32 C ATOM 900 O LEU A 57 7.609 9.949 -0.998 1.00 64.04 O ATOM 901 CB LEU A 57 7.105 7.081 0.674 1.00 13.22 C ATOM 902 CG LEU A 57 7.830 7.861 1.821 1.00 61.45 C ATOM 903 CD1 LEU A 57 6.892 8.916 2.474 1.00 73.33 C ATOM 904 CD2 LEU A 57 8.391 6.874 2.884 1.00 61.34 C ATOM 0 H LEU A 57 5.823 6.068 -1.201 1.00 10.31 H new ATOM 0 HA LEU A 57 5.754 8.648 0.061 1.00 52.22 H new ATOM 0 HB2 LEU A 57 6.351 6.436 1.126 1.00 13.22 H new ATOM 0 HB3 LEU A 57 7.835 6.430 0.193 1.00 13.22 H new ATOM 0 HG LEU A 57 8.668 8.401 1.381 1.00 61.45 H new ATOM 0 HD11 LEU A 57 7.428 9.439 3.266 1.00 73.33 H new ATOM 0 HD12 LEU A 57 6.570 9.633 1.719 1.00 73.33 H new ATOM 0 HD13 LEU A 57 6.020 8.416 2.895 1.00 73.33 H new ATOM 0 HD21 LEU A 57 8.891 7.435 3.673 1.00 61.34 H new ATOM 0 HD22 LEU A 57 7.572 6.297 3.313 1.00 61.34 H new ATOM 0 HD23 LEU A 57 9.104 6.197 2.412 1.00 61.34 H new ATOM 916 N THR A 58 8.082 8.105 -2.232 1.00 52.12 N ATOM 917 CA THR A 58 9.017 8.764 -3.170 1.00 15.43 C ATOM 918 C THR A 58 8.288 9.840 -4.011 1.00 61.44 C ATOM 919 O THR A 58 8.777 10.965 -4.167 1.00 22.31 O ATOM 920 CB THR A 58 9.694 7.700 -4.107 1.00 30.34 C ATOM 921 OG1 THR A 58 10.447 6.773 -3.306 1.00 72.34 O ATOM 922 CG2 THR A 58 10.620 8.330 -5.172 1.00 24.44 C ATOM 0 H THR A 58 7.972 7.105 -2.403 1.00 52.12 H new ATOM 0 HA THR A 58 9.793 9.258 -2.586 1.00 15.43 H new ATOM 0 HB THR A 58 8.894 7.191 -4.644 1.00 30.34 H new ATOM 0 HG1 THR A 58 9.832 6.216 -2.785 1.00 72.34 H new ATOM 0 HG21 THR A 58 11.056 7.543 -5.786 1.00 24.44 H new ATOM 0 HG22 THR A 58 10.042 9.005 -5.803 1.00 24.44 H new ATOM 0 HG23 THR A 58 11.416 8.888 -4.678 1.00 24.44 H new ATOM 930 N LYS A 59 7.092 9.482 -4.505 1.00 11.12 N ATOM 931 CA LYS A 59 6.275 10.335 -5.397 1.00 45.23 C ATOM 932 C LYS A 59 5.517 11.431 -4.605 1.00 40.41 C ATOM 933 O LYS A 59 5.142 12.458 -5.173 1.00 54.23 O ATOM 934 CB LYS A 59 5.295 9.444 -6.239 1.00 4.52 C ATOM 935 CG LYS A 59 5.885 8.833 -7.549 1.00 72.22 C ATOM 936 CD LYS A 59 7.154 7.979 -7.348 1.00 34.02 C ATOM 937 CE LYS A 59 7.715 7.414 -8.668 1.00 74.11 C ATOM 938 NZ LYS A 59 6.801 6.432 -9.315 1.00 40.31 N ATOM 0 H LYS A 59 6.656 8.584 -4.297 1.00 11.12 H new ATOM 0 HA LYS A 59 6.943 10.855 -6.084 1.00 45.23 H new ATOM 0 HB2 LYS A 59 4.942 8.629 -5.607 1.00 4.52 H new ATOM 0 HB3 LYS A 59 4.424 10.044 -6.501 1.00 4.52 H new ATOM 0 HG2 LYS A 59 5.121 8.217 -8.023 1.00 72.22 H new ATOM 0 HG3 LYS A 59 6.115 9.644 -8.240 1.00 72.22 H new ATOM 0 HD2 LYS A 59 7.920 8.585 -6.864 1.00 34.02 H new ATOM 0 HD3 LYS A 59 6.927 7.154 -6.673 1.00 34.02 H new ATOM 0 HE2 LYS A 59 7.903 8.236 -9.358 1.00 74.11 H new ATOM 0 HE3 LYS A 59 8.675 6.935 -8.473 1.00 74.11 H new ATOM 0 HZ1 LYS A 59 6.916 6.478 -10.348 1.00 40.31 H new ATOM 0 HZ2 LYS A 59 7.031 5.473 -8.984 1.00 40.31 H new ATOM 0 HZ3 LYS A 59 5.817 6.658 -9.066 1.00 40.31 H new ATOM 952 N SER A 60 5.272 11.194 -3.306 1.00 23.40 N ATOM 953 CA SER A 60 4.682 12.204 -2.395 1.00 52.13 C ATOM 954 C SER A 60 5.730 13.271 -2.043 1.00 24.45 C ATOM 955 O SER A 60 5.452 14.477 -2.076 1.00 71.24 O ATOM 956 CB SER A 60 4.169 11.516 -1.111 1.00 14.43 C ATOM 957 OG SER A 60 3.667 12.446 -0.174 1.00 65.42 O ATOM 0 H SER A 60 5.474 10.302 -2.854 1.00 23.40 H new ATOM 0 HA SER A 60 3.843 12.689 -2.895 1.00 52.13 H new ATOM 0 HB2 SER A 60 3.385 10.804 -1.370 1.00 14.43 H new ATOM 0 HB3 SER A 60 4.980 10.946 -0.657 1.00 14.43 H new ATOM 0 HG SER A 60 4.412 12.842 0.325 1.00 65.42 H new ATOM 963 N ARG A 61 6.939 12.782 -1.732 1.00 0.31 N ATOM 964 CA ARG A 61 8.100 13.606 -1.351 1.00 34.33 C ATOM 965 C ARG A 61 8.521 14.507 -2.525 1.00 45.43 C ATOM 966 O ARG A 61 8.888 15.677 -2.337 1.00 33.44 O ATOM 967 CB ARG A 61 9.265 12.665 -0.937 1.00 53.02 C ATOM 968 CG ARG A 61 10.527 13.354 -0.384 1.00 72.33 C ATOM 969 CD ARG A 61 10.239 14.218 0.864 1.00 34.30 C ATOM 970 NE ARG A 61 11.427 14.341 1.706 1.00 22.42 N ATOM 971 CZ ARG A 61 11.411 14.524 3.033 1.00 74.23 C ATOM 972 NH1 ARG A 61 10.263 14.649 3.700 1.00 43.31 N ATOM 973 NH2 ARG A 61 12.559 14.509 3.672 1.00 63.33 N ATOM 0 H ARG A 61 7.143 11.783 -1.738 1.00 0.31 H new ATOM 0 HA ARG A 61 7.838 14.250 -0.511 1.00 34.33 H new ATOM 0 HB2 ARG A 61 8.894 11.971 -0.183 1.00 53.02 H new ATOM 0 HB3 ARG A 61 9.551 12.070 -1.805 1.00 53.02 H new ATOM 0 HG2 ARG A 61 11.269 12.596 -0.132 1.00 72.33 H new ATOM 0 HG3 ARG A 61 10.963 13.981 -1.162 1.00 72.33 H new ATOM 0 HD2 ARG A 61 9.905 15.208 0.555 1.00 34.30 H new ATOM 0 HD3 ARG A 61 9.427 13.773 1.439 1.00 34.30 H new ATOM 0 HE ARG A 61 12.337 14.283 1.249 1.00 22.42 H new ATOM 0 HH11 ARG A 61 9.375 14.606 3.200 1.00 43.31 H new ATOM 0 HH12 ARG A 61 10.273 14.788 4.710 1.00 43.31 H new ATOM 0 HH21 ARG A 61 13.427 14.361 3.157 1.00 63.33 H new ATOM 0 HH22 ARG A 61 12.582 14.645 4.683 1.00 63.33 H new ATOM 987 N ASP A 62 8.453 13.918 -3.729 1.00 62.31 N ATOM 988 CA ASP A 62 8.685 14.619 -5.001 1.00 33.23 C ATOM 989 C ASP A 62 7.600 15.686 -5.226 1.00 50.43 C ATOM 990 O ASP A 62 7.883 16.796 -5.683 1.00 35.14 O ATOM 991 CB ASP A 62 8.681 13.591 -6.171 1.00 0.23 C ATOM 992 CG ASP A 62 8.801 14.244 -7.560 1.00 2.03 C ATOM 993 OD1 ASP A 62 9.919 14.636 -7.953 1.00 60.34 O ATOM 994 OD2 ASP A 62 7.775 14.387 -8.255 1.00 51.43 O ATOM 0 H ASP A 62 8.233 12.929 -3.848 1.00 62.31 H new ATOM 0 HA ASP A 62 9.655 15.115 -4.964 1.00 33.23 H new ATOM 0 HB2 ASP A 62 9.506 12.892 -6.034 1.00 0.23 H new ATOM 0 HB3 ASP A 62 7.760 13.009 -6.130 1.00 0.23 H new ATOM 999 N GLY A 63 6.361 15.321 -4.873 1.00 64.31 N ATOM 1000 CA GLY A 63 5.187 16.146 -5.146 1.00 54.42 C ATOM 1001 C GLY A 63 4.602 15.859 -6.524 1.00 55.31 C ATOM 1002 O GLY A 63 3.995 16.743 -7.145 1.00 25.45 O ATOM 0 H GLY A 63 6.149 14.447 -4.392 1.00 64.31 H new ATOM 0 HA2 GLY A 63 4.429 15.963 -4.384 1.00 54.42 H new ATOM 0 HA3 GLY A 63 5.459 17.199 -5.079 1.00 54.42 H new ATOM 1006 N LEU A 64 4.817 14.617 -7.003 1.00 32.10 N ATOM 1007 CA LEU A 64 4.270 14.137 -8.279 1.00 64.32 C ATOM 1008 C LEU A 64 2.755 13.988 -8.206 1.00 3.54 C ATOM 1009 O LEU A 64 2.039 14.506 -9.071 1.00 73.41 O ATOM 1010 CB LEU A 64 4.853 12.758 -8.682 1.00 61.12 C ATOM 1011 CG LEU A 64 4.382 12.247 -10.085 1.00 23.45 C ATOM 1012 CD1 LEU A 64 4.969 13.112 -11.224 1.00 11.23 C ATOM 1013 CD2 LEU A 64 4.685 10.751 -10.279 1.00 64.31 C ATOM 0 H LEU A 64 5.377 13.920 -6.511 1.00 32.10 H new ATOM 0 HA LEU A 64 4.548 14.884 -9.022 1.00 64.32 H new ATOM 0 HB2 LEU A 64 5.941 12.821 -8.677 1.00 61.12 H new ATOM 0 HB3 LEU A 64 4.573 12.023 -7.927 1.00 61.12 H new ATOM 0 HG LEU A 64 3.298 12.354 -10.126 1.00 23.45 H new ATOM 0 HD11 LEU A 64 4.623 12.731 -12.185 1.00 11.23 H new ATOM 0 HD12 LEU A 64 4.641 14.144 -11.103 1.00 11.23 H new ATOM 0 HD13 LEU A 64 6.058 13.071 -11.188 1.00 11.23 H new ATOM 0 HD21 LEU A 64 4.343 10.435 -11.265 1.00 64.31 H new ATOM 0 HD22 LEU A 64 5.759 10.584 -10.197 1.00 64.31 H new ATOM 0 HD23 LEU A 64 4.168 10.173 -9.513 1.00 64.31 H new ATOM 1025 N ILE A 65 2.305 13.264 -7.152 1.00 71.32 N ATOM 1026 CA ILE A 65 0.947 12.707 -7.053 1.00 61.15 C ATOM 1027 C ILE A 65 -0.136 13.777 -7.338 1.00 64.25 C ATOM 1028 O ILE A 65 -0.503 14.577 -6.468 1.00 45.22 O ATOM 1029 CB ILE A 65 0.697 11.997 -5.667 1.00 61.14 C ATOM 1030 CG1 ILE A 65 1.760 10.866 -5.424 1.00 13.33 C ATOM 1031 CG2 ILE A 65 -0.742 11.423 -5.597 1.00 62.45 C ATOM 1032 CD1 ILE A 65 1.597 10.076 -4.131 1.00 2.20 C ATOM 0 H ILE A 65 2.887 13.052 -6.341 1.00 71.32 H new ATOM 0 HA ILE A 65 0.866 11.943 -7.827 1.00 61.15 H new ATOM 0 HB ILE A 65 0.805 12.741 -4.878 1.00 61.14 H new ATOM 0 HG12 ILE A 65 1.721 10.170 -6.262 1.00 13.33 H new ATOM 0 HG13 ILE A 65 2.752 11.317 -5.430 1.00 13.33 H new ATOM 0 HG21 ILE A 65 -0.894 10.938 -4.633 1.00 62.45 H new ATOM 0 HG22 ILE A 65 -1.463 12.233 -5.713 1.00 62.45 H new ATOM 0 HG23 ILE A 65 -0.883 10.695 -6.396 1.00 62.45 H new ATOM 0 HD11 ILE A 65 2.382 9.322 -4.064 1.00 2.20 H new ATOM 0 HD12 ILE A 65 1.670 10.753 -3.280 1.00 2.20 H new ATOM 0 HD13 ILE A 65 0.623 9.587 -4.124 1.00 2.20 H new ATOM 1044 N THR A 66 -0.564 13.784 -8.615 1.00 34.21 N ATOM 1045 CA THR A 66 -1.578 14.683 -9.170 1.00 75.40 C ATOM 1046 C THR A 66 -2.900 14.511 -8.399 1.00 32.54 C ATOM 1047 O THR A 66 -3.382 15.441 -7.747 1.00 55.30 O ATOM 1048 CB THR A 66 -1.745 14.336 -10.694 1.00 20.14 C ATOM 1049 OG1 THR A 66 -0.454 14.337 -11.341 1.00 71.44 O ATOM 1050 CG2 THR A 66 -2.686 15.290 -11.435 1.00 72.22 C ATOM 0 H THR A 66 -0.194 13.136 -9.310 1.00 34.21 H new ATOM 0 HA THR A 66 -1.278 15.726 -9.071 1.00 75.40 H new ATOM 0 HB THR A 66 -2.197 13.345 -10.738 1.00 20.14 H new ATOM 0 HG1 THR A 66 -0.564 14.119 -12.290 1.00 71.44 H new ATOM 0 HG21 THR A 66 -2.755 14.993 -12.481 1.00 72.22 H new ATOM 0 HG22 THR A 66 -3.676 15.251 -10.980 1.00 72.22 H new ATOM 0 HG23 THR A 66 -2.297 16.306 -11.372 1.00 72.22 H new ATOM 1058 N THR A 67 -3.417 13.281 -8.474 1.00 34.31 N ATOM 1059 CA THR A 67 -4.560 12.784 -7.694 1.00 31.32 C ATOM 1060 C THR A 67 -4.817 11.344 -8.152 1.00 72.44 C ATOM 1061 O THR A 67 -5.071 10.465 -7.337 1.00 52.44 O ATOM 1062 CB THR A 67 -5.874 13.658 -7.813 1.00 22.25 C ATOM 1063 OG1 THR A 67 -6.822 13.259 -6.797 1.00 43.20 O ATOM 1064 CG2 THR A 67 -6.548 13.574 -9.202 1.00 72.51 C ATOM 0 H THR A 67 -3.037 12.574 -9.104 1.00 34.31 H new ATOM 0 HA THR A 67 -4.302 12.842 -6.637 1.00 31.32 H new ATOM 0 HB THR A 67 -5.567 14.694 -7.672 1.00 22.25 H new ATOM 0 HG1 THR A 67 -7.024 12.305 -6.895 1.00 43.20 H new ATOM 0 HG21 THR A 67 -7.442 14.198 -9.211 1.00 72.51 H new ATOM 0 HG22 THR A 67 -5.853 13.925 -9.965 1.00 72.51 H new ATOM 0 HG23 THR A 67 -6.824 12.540 -9.410 1.00 72.51 H new ATOM 1072 N VAL A 68 -4.645 11.124 -9.481 1.00 72.52 N ATOM 1073 CA VAL A 68 -4.850 9.826 -10.155 1.00 54.04 C ATOM 1074 C VAL A 68 -3.979 8.724 -9.520 1.00 32.42 C ATOM 1075 O VAL A 68 -4.399 7.574 -9.430 1.00 74.24 O ATOM 1076 CB VAL A 68 -4.504 9.928 -11.697 1.00 20.23 C ATOM 1077 CG1 VAL A 68 -4.981 8.681 -12.485 1.00 54.13 C ATOM 1078 CG2 VAL A 68 -5.059 11.237 -12.323 1.00 33.11 C ATOM 0 H VAL A 68 -4.354 11.862 -10.122 1.00 72.52 H new ATOM 0 HA VAL A 68 -5.902 9.566 -10.035 1.00 54.04 H new ATOM 0 HB VAL A 68 -3.417 9.960 -11.774 1.00 20.23 H new ATOM 0 HG11 VAL A 68 -4.722 8.795 -13.538 1.00 54.13 H new ATOM 0 HG12 VAL A 68 -4.495 7.791 -12.086 1.00 54.13 H new ATOM 0 HG13 VAL A 68 -6.062 8.579 -12.386 1.00 54.13 H new ATOM 0 HG21 VAL A 68 -4.802 11.272 -13.382 1.00 33.11 H new ATOM 0 HG22 VAL A 68 -6.143 11.262 -12.212 1.00 33.11 H new ATOM 0 HG23 VAL A 68 -4.622 12.097 -11.815 1.00 33.11 H new ATOM 1088 N TYR A 69 -2.780 9.120 -9.050 1.00 11.44 N ATOM 1089 CA TYR A 69 -1.765 8.195 -8.511 1.00 62.33 C ATOM 1090 C TYR A 69 -2.283 7.483 -7.238 1.00 21.44 C ATOM 1091 O TYR A 69 -2.010 6.296 -7.037 1.00 21.21 O ATOM 1092 CB TYR A 69 -0.436 8.960 -8.223 1.00 1.21 C ATOM 1093 CG TYR A 69 0.821 8.134 -8.505 1.00 12.43 C ATOM 1094 CD1 TYR A 69 1.384 8.121 -9.780 1.00 44.11 C ATOM 1095 CD2 TYR A 69 1.424 7.352 -7.516 1.00 41.01 C ATOM 1096 CE1 TYR A 69 2.491 7.364 -10.056 1.00 31.22 C ATOM 1097 CE2 TYR A 69 2.541 6.596 -7.796 1.00 54.25 C ATOM 1098 CZ TYR A 69 3.064 6.609 -9.069 1.00 25.43 C ATOM 1099 OH TYR A 69 4.165 5.861 -9.361 1.00 22.35 O ATOM 0 H TYR A 69 -2.487 10.097 -9.034 1.00 11.44 H new ATOM 0 HA TYR A 69 -1.566 7.428 -9.260 1.00 62.33 H new ATOM 0 HB2 TYR A 69 -0.409 9.865 -8.830 1.00 1.21 H new ATOM 0 HB3 TYR A 69 -0.427 9.275 -7.180 1.00 1.21 H new ATOM 0 HD1 TYR A 69 0.940 8.718 -10.563 1.00 44.11 H new ATOM 0 HD2 TYR A 69 1.009 7.340 -6.519 1.00 41.01 H new ATOM 0 HE1 TYR A 69 2.911 7.363 -11.051 1.00 31.22 H new ATOM 0 HE2 TYR A 69 3.002 5.998 -7.024 1.00 54.25 H new ATOM 0 HH TYR A 69 4.497 5.434 -8.544 1.00 22.35 H new ATOM 1109 N PHE A 70 -3.041 8.231 -6.395 1.00 44.21 N ATOM 1110 CA PHE A 70 -3.732 7.662 -5.209 1.00 1.04 C ATOM 1111 C PHE A 70 -4.723 6.568 -5.640 1.00 2.20 C ATOM 1112 O PHE A 70 -4.805 5.512 -5.026 1.00 61.21 O ATOM 1113 CB PHE A 70 -4.529 8.750 -4.436 1.00 61.01 C ATOM 1114 CG PHE A 70 -3.698 9.817 -3.724 1.00 43.10 C ATOM 1115 CD1 PHE A 70 -2.601 9.468 -2.935 1.00 24.11 C ATOM 1116 CD2 PHE A 70 -4.047 11.168 -3.802 1.00 63.34 C ATOM 1117 CE1 PHE A 70 -1.875 10.436 -2.258 1.00 15.32 C ATOM 1118 CE2 PHE A 70 -3.327 12.132 -3.120 1.00 1.05 C ATOM 1119 CZ PHE A 70 -2.242 11.767 -2.346 1.00 24.24 C ATOM 0 H PHE A 70 -3.189 9.233 -6.516 1.00 44.21 H new ATOM 0 HA PHE A 70 -2.960 7.248 -4.561 1.00 1.04 H new ATOM 0 HB2 PHE A 70 -5.198 9.248 -5.138 1.00 61.01 H new ATOM 0 HB3 PHE A 70 -5.156 8.254 -3.696 1.00 61.01 H new ATOM 0 HD1 PHE A 70 -2.314 8.430 -2.851 1.00 24.11 H new ATOM 0 HD2 PHE A 70 -4.893 11.464 -4.405 1.00 63.34 H new ATOM 0 HE1 PHE A 70 -1.022 10.150 -1.661 1.00 15.32 H new ATOM 0 HE2 PHE A 70 -3.613 13.171 -3.192 1.00 1.05 H new ATOM 0 HZ PHE A 70 -1.682 12.519 -1.811 1.00 24.24 H new ATOM 1129 N TYR A 71 -5.456 6.860 -6.721 1.00 53.44 N ATOM 1130 CA TYR A 71 -6.566 6.022 -7.218 1.00 14.11 C ATOM 1131 C TYR A 71 -6.024 4.728 -7.850 1.00 61.23 C ATOM 1132 O TYR A 71 -6.622 3.660 -7.705 1.00 53.12 O ATOM 1133 CB TYR A 71 -7.425 6.821 -8.251 1.00 64.23 C ATOM 1134 CG TYR A 71 -8.130 8.106 -7.722 1.00 32.32 C ATOM 1135 CD1 TYR A 71 -7.568 8.912 -6.721 1.00 74.42 C ATOM 1136 CD2 TYR A 71 -9.362 8.519 -8.243 1.00 34.41 C ATOM 1137 CE1 TYR A 71 -8.194 10.057 -6.272 1.00 12.12 C ATOM 1138 CE2 TYR A 71 -9.984 9.666 -7.792 1.00 70.22 C ATOM 1139 CZ TYR A 71 -9.396 10.427 -6.809 1.00 5.10 C ATOM 1140 OH TYR A 71 -10.009 11.563 -6.369 1.00 43.51 O ATOM 0 H TYR A 71 -5.297 7.694 -7.286 1.00 53.44 H new ATOM 0 HA TYR A 71 -7.201 5.750 -6.375 1.00 14.11 H new ATOM 0 HB2 TYR A 71 -6.781 7.103 -9.084 1.00 64.23 H new ATOM 0 HB3 TYR A 71 -8.188 6.153 -8.650 1.00 64.23 H new ATOM 0 HD1 TYR A 71 -6.619 8.629 -6.290 1.00 74.42 H new ATOM 0 HD2 TYR A 71 -9.835 7.928 -9.013 1.00 34.41 H new ATOM 0 HE1 TYR A 71 -7.737 10.658 -5.500 1.00 12.12 H new ATOM 0 HE2 TYR A 71 -10.933 9.966 -8.211 1.00 70.22 H new ATOM 0 HH TYR A 71 -10.853 11.687 -6.851 1.00 43.51 H new ATOM 1150 N GLU A 72 -4.874 4.853 -8.535 1.00 65.33 N ATOM 1151 CA GLU A 72 -4.157 3.718 -9.157 1.00 64.30 C ATOM 1152 C GLU A 72 -3.453 2.873 -8.092 1.00 64.44 C ATOM 1153 O GLU A 72 -3.276 1.660 -8.267 1.00 21.24 O ATOM 1154 CB GLU A 72 -3.118 4.237 -10.174 1.00 73.22 C ATOM 1155 CG GLU A 72 -3.712 5.000 -11.370 1.00 42.13 C ATOM 1156 CD GLU A 72 -2.627 5.543 -12.309 1.00 34.01 C ATOM 1157 OE1 GLU A 72 -2.039 6.603 -12.004 1.00 10.54 O ATOM 1158 OE2 GLU A 72 -2.331 4.892 -13.338 1.00 51.12 O ATOM 0 H GLU A 72 -4.410 5.750 -8.676 1.00 65.33 H new ATOM 0 HA GLU A 72 -4.888 3.096 -9.673 1.00 64.30 H new ATOM 0 HB2 GLU A 72 -2.418 4.891 -9.655 1.00 73.22 H new ATOM 0 HB3 GLU A 72 -2.544 3.390 -10.550 1.00 73.22 H new ATOM 0 HG2 GLU A 72 -4.375 4.338 -11.928 1.00 42.13 H new ATOM 0 HG3 GLU A 72 -4.321 5.827 -11.005 1.00 42.13 H new ATOM 1165 N LEU A 73 -3.017 3.547 -7.004 1.00 3.35 N ATOM 1166 CA LEU A 73 -2.464 2.879 -5.810 1.00 64.05 C ATOM 1167 C LEU A 73 -3.550 1.948 -5.242 1.00 2.24 C ATOM 1168 O LEU A 73 -3.333 0.750 -5.099 1.00 22.42 O ATOM 1169 CB LEU A 73 -1.993 3.936 -4.740 1.00 14.30 C ATOM 1170 CG LEU A 73 -0.629 3.656 -4.014 1.00 5.20 C ATOM 1171 CD1 LEU A 73 -0.630 2.306 -3.249 1.00 13.32 C ATOM 1172 CD2 LEU A 73 0.563 3.750 -5.008 1.00 14.12 C ATOM 0 H LEU A 73 -3.039 4.564 -6.931 1.00 3.35 H new ATOM 0 HA LEU A 73 -1.584 2.295 -6.079 1.00 64.05 H new ATOM 0 HB2 LEU A 73 -1.922 4.907 -5.231 1.00 14.30 H new ATOM 0 HB3 LEU A 73 -2.770 4.019 -3.980 1.00 14.30 H new ATOM 0 HG LEU A 73 -0.502 4.435 -3.263 1.00 5.20 H new ATOM 0 HD11 LEU A 73 0.336 2.161 -2.765 1.00 13.32 H new ATOM 0 HD12 LEU A 73 -1.416 2.316 -2.494 1.00 13.32 H new ATOM 0 HD13 LEU A 73 -0.811 1.491 -3.950 1.00 13.32 H new ATOM 0 HD21 LEU A 73 1.495 3.552 -4.478 1.00 14.12 H new ATOM 0 HD22 LEU A 73 0.433 3.015 -5.802 1.00 14.12 H new ATOM 0 HD23 LEU A 73 0.598 4.750 -5.441 1.00 14.12 H new ATOM 1184 N GLN A 74 -4.745 2.534 -5.019 1.00 32.01 N ATOM 1185 CA GLN A 74 -5.939 1.829 -4.495 1.00 54.34 C ATOM 1186 C GLN A 74 -6.422 0.729 -5.460 1.00 55.30 C ATOM 1187 O GLN A 74 -6.909 -0.309 -5.015 1.00 13.34 O ATOM 1188 CB GLN A 74 -7.091 2.843 -4.272 1.00 61.33 C ATOM 1189 CG GLN A 74 -6.780 3.955 -3.253 1.00 71.24 C ATOM 1190 CD GLN A 74 -7.790 5.110 -3.280 1.00 5.21 C ATOM 1191 OE1 GLN A 74 -8.976 4.920 -3.559 1.00 31.23 O ATOM 1192 NE2 GLN A 74 -7.321 6.321 -3.017 1.00 72.34 N ATOM 0 H GLN A 74 -4.912 3.524 -5.200 1.00 32.01 H new ATOM 0 HA GLN A 74 -5.656 1.360 -3.552 1.00 54.34 H new ATOM 0 HB2 GLN A 74 -7.341 3.304 -5.227 1.00 61.33 H new ATOM 0 HB3 GLN A 74 -7.975 2.300 -3.939 1.00 61.33 H new ATOM 0 HG2 GLN A 74 -6.759 3.524 -2.252 1.00 71.24 H new ATOM 0 HG3 GLN A 74 -5.783 4.350 -3.451 1.00 71.24 H new ATOM 0 HE21 GLN A 74 -6.335 6.448 -2.789 1.00 72.34 H new ATOM 0 HE22 GLN A 74 -7.946 7.127 -3.042 1.00 72.34 H new ATOM 1201 N GLU A 75 -6.297 0.992 -6.780 1.00 12.21 N ATOM 1202 CA GLU A 75 -6.726 0.047 -7.838 1.00 45.04 C ATOM 1203 C GLU A 75 -5.827 -1.206 -7.793 1.00 11.04 C ATOM 1204 O GLU A 75 -6.322 -2.334 -7.823 1.00 42.52 O ATOM 1205 CB GLU A 75 -6.699 0.753 -9.242 1.00 14.31 C ATOM 1206 CG GLU A 75 -7.645 0.160 -10.329 1.00 5.04 C ATOM 1207 CD GLU A 75 -7.136 -1.139 -10.993 1.00 44.14 C ATOM 1208 OE1 GLU A 75 -6.340 -1.059 -11.949 1.00 75.35 O ATOM 1209 OE2 GLU A 75 -7.541 -2.242 -10.577 1.00 55.44 O ATOM 0 H GLU A 75 -5.899 1.859 -7.141 1.00 12.21 H new ATOM 0 HA GLU A 75 -7.754 -0.271 -7.664 1.00 45.04 H new ATOM 0 HB2 GLU A 75 -6.954 1.803 -9.102 1.00 14.31 H new ATOM 0 HB3 GLU A 75 -5.678 0.721 -9.622 1.00 14.31 H new ATOM 0 HG2 GLU A 75 -8.617 -0.037 -9.876 1.00 5.04 H new ATOM 0 HG3 GLU A 75 -7.800 0.911 -11.104 1.00 5.04 H new ATOM 1216 N ASN A 76 -4.502 -0.975 -7.662 1.00 35.41 N ATOM 1217 CA ASN A 76 -3.500 -2.047 -7.498 1.00 13.30 C ATOM 1218 C ASN A 76 -3.770 -2.848 -6.208 1.00 73.24 C ATOM 1219 O ASN A 76 -3.807 -4.087 -6.228 1.00 70.44 O ATOM 1220 CB ASN A 76 -2.072 -1.419 -7.471 1.00 31.42 C ATOM 1221 CG ASN A 76 -0.963 -2.399 -7.057 1.00 42.31 C ATOM 1222 OD1 ASN A 76 -0.681 -2.475 -5.762 1.00 34.52 O flip ATOM 1223 ND2 ASN A 76 -0.351 -3.062 -7.891 1.00 25.40 N flip ATOM 0 H ASN A 76 -4.099 -0.038 -7.667 1.00 35.41 H new ATOM 0 HA ASN A 76 -3.570 -2.737 -8.339 1.00 13.30 H new ATOM 0 HB2 ASN A 76 -1.842 -1.024 -8.460 1.00 31.42 H new ATOM 0 HB3 ASN A 76 -2.071 -0.574 -6.782 1.00 31.42 H new ATOM 0 HD21 ASN A 76 -0.589 -2.983 -8.880 1.00 25.40 H new ATOM 0 HD22 ASN A 76 0.395 -3.691 -7.595 1.00 25.40 H new ATOM 1230 N LEU A 77 -3.978 -2.110 -5.098 1.00 42.05 N ATOM 1231 CA LEU A 77 -4.198 -2.693 -3.765 1.00 41.44 C ATOM 1232 C LEU A 77 -5.436 -3.605 -3.757 1.00 14.22 C ATOM 1233 O LEU A 77 -5.356 -4.731 -3.292 1.00 44.30 O ATOM 1234 CB LEU A 77 -4.350 -1.587 -2.686 1.00 60.24 C ATOM 1235 CG LEU A 77 -3.104 -0.698 -2.395 1.00 45.15 C ATOM 1236 CD1 LEU A 77 -3.432 0.360 -1.310 1.00 50.20 C ATOM 1237 CD2 LEU A 77 -1.866 -1.556 -2.020 1.00 1.35 C ATOM 0 H LEU A 77 -3.998 -1.090 -5.105 1.00 42.05 H new ATOM 0 HA LEU A 77 -3.320 -3.293 -3.525 1.00 41.44 H new ATOM 0 HB2 LEU A 77 -5.169 -0.933 -2.986 1.00 60.24 H new ATOM 0 HB3 LEU A 77 -4.649 -2.065 -1.753 1.00 60.24 H new ATOM 0 HG LEU A 77 -2.845 -0.164 -3.309 1.00 45.15 H new ATOM 0 HD11 LEU A 77 -2.550 0.972 -1.120 1.00 50.20 H new ATOM 0 HD12 LEU A 77 -4.247 0.996 -1.656 1.00 50.20 H new ATOM 0 HD13 LEU A 77 -3.730 -0.143 -0.390 1.00 50.20 H new ATOM 0 HD21 LEU A 77 -1.016 -0.902 -1.824 1.00 1.35 H new ATOM 0 HD22 LEU A 77 -2.086 -2.142 -1.128 1.00 1.35 H new ATOM 0 HD23 LEU A 77 -1.625 -2.227 -2.845 1.00 1.35 H new ATOM 1249 N GLU A 78 -6.561 -3.105 -4.306 1.00 43.53 N ATOM 1250 CA GLU A 78 -7.838 -3.843 -4.341 1.00 70.11 C ATOM 1251 C GLU A 78 -7.745 -5.042 -5.301 1.00 40.44 C ATOM 1252 O GLU A 78 -8.300 -6.110 -5.018 1.00 70.41 O ATOM 1253 CB GLU A 78 -9.011 -2.919 -4.776 1.00 3.45 C ATOM 1254 CG GLU A 78 -10.395 -3.605 -4.707 1.00 10.02 C ATOM 1255 CD GLU A 78 -11.508 -2.843 -5.441 1.00 40.33 C ATOM 1256 OE1 GLU A 78 -11.713 -3.092 -6.649 1.00 63.43 O ATOM 1257 OE2 GLU A 78 -12.188 -1.998 -4.821 1.00 23.05 O ATOM 0 H GLU A 78 -6.609 -2.181 -4.736 1.00 43.53 H new ATOM 0 HA GLU A 78 -8.035 -4.204 -3.332 1.00 70.11 H new ATOM 0 HB2 GLU A 78 -9.021 -2.034 -4.140 1.00 3.45 H new ATOM 0 HB3 GLU A 78 -8.834 -2.577 -5.796 1.00 3.45 H new ATOM 0 HG2 GLU A 78 -10.314 -4.606 -5.130 1.00 10.02 H new ATOM 0 HG3 GLU A 78 -10.679 -3.723 -3.661 1.00 10.02 H new ATOM 1264 N LYS A 79 -7.049 -4.837 -6.442 1.00 24.44 N ATOM 1265 CA LYS A 79 -6.833 -5.886 -7.461 1.00 50.25 C ATOM 1266 C LYS A 79 -6.159 -7.097 -6.824 1.00 13.00 C ATOM 1267 O LYS A 79 -6.653 -8.217 -6.913 1.00 4.24 O ATOM 1268 CB LYS A 79 -5.950 -5.359 -8.629 1.00 10.52 C ATOM 1269 CG LYS A 79 -5.708 -6.381 -9.766 1.00 41.41 C ATOM 1270 CD LYS A 79 -4.735 -5.865 -10.856 1.00 31.02 C ATOM 1271 CE LYS A 79 -4.657 -6.818 -12.066 1.00 65.02 C ATOM 1272 NZ LYS A 79 -3.803 -6.292 -13.167 1.00 33.02 N ATOM 0 H LYS A 79 -6.623 -3.942 -6.681 1.00 24.44 H new ATOM 0 HA LYS A 79 -7.805 -6.172 -7.862 1.00 50.25 H new ATOM 0 HB2 LYS A 79 -6.421 -4.471 -9.051 1.00 10.52 H new ATOM 0 HB3 LYS A 79 -4.986 -5.048 -8.226 1.00 10.52 H new ATOM 0 HG2 LYS A 79 -5.310 -7.301 -9.339 1.00 41.41 H new ATOM 0 HG3 LYS A 79 -6.662 -6.631 -10.229 1.00 41.41 H new ATOM 0 HD2 LYS A 79 -5.058 -4.880 -11.192 1.00 31.02 H new ATOM 0 HD3 LYS A 79 -3.741 -5.745 -10.426 1.00 31.02 H new ATOM 0 HE2 LYS A 79 -4.265 -7.781 -11.738 1.00 65.02 H new ATOM 0 HE3 LYS A 79 -5.663 -6.996 -12.447 1.00 65.02 H new ATOM 0 HZ1 LYS A 79 -3.789 -6.975 -13.952 1.00 33.02 H new ATOM 0 HZ2 LYS A 79 -4.188 -5.386 -13.503 1.00 33.02 H new ATOM 0 HZ3 LYS A 79 -2.835 -6.147 -12.816 1.00 33.02 H new ATOM 1286 N LEU A 80 -5.056 -6.817 -6.129 1.00 71.31 N ATOM 1287 CA LEU A 80 -4.175 -7.837 -5.552 1.00 2.14 C ATOM 1288 C LEU A 80 -4.691 -8.348 -4.201 1.00 23.33 C ATOM 1289 O LEU A 80 -4.327 -9.440 -3.767 1.00 61.15 O ATOM 1290 CB LEU A 80 -2.760 -7.244 -5.460 1.00 0.32 C ATOM 1291 CG LEU A 80 -2.167 -6.801 -6.833 1.00 63.53 C ATOM 1292 CD1 LEU A 80 -0.806 -6.123 -6.651 1.00 54.21 C ATOM 1293 CD2 LEU A 80 -2.089 -7.985 -7.826 1.00 43.13 C ATOM 0 H LEU A 80 -4.744 -5.863 -5.948 1.00 71.31 H new ATOM 0 HA LEU A 80 -4.155 -8.717 -6.195 1.00 2.14 H new ATOM 0 HB2 LEU A 80 -2.780 -6.384 -4.790 1.00 0.32 H new ATOM 0 HB3 LEU A 80 -2.096 -7.983 -5.010 1.00 0.32 H new ATOM 0 HG LEU A 80 -2.845 -6.066 -7.266 1.00 63.53 H new ATOM 0 HD11 LEU A 80 -0.415 -5.824 -7.624 1.00 54.21 H new ATOM 0 HD12 LEU A 80 -0.920 -5.242 -6.020 1.00 54.21 H new ATOM 0 HD13 LEU A 80 -0.113 -6.820 -6.180 1.00 54.21 H new ATOM 0 HD21 LEU A 80 -1.671 -7.640 -8.772 1.00 43.13 H new ATOM 0 HD22 LEU A 80 -1.452 -8.766 -7.411 1.00 43.13 H new ATOM 0 HD23 LEU A 80 -3.089 -8.384 -7.995 1.00 43.13 H new ATOM 1305 N LEU A 81 -5.549 -7.548 -3.557 1.00 1.52 N ATOM 1306 CA LEU A 81 -6.363 -7.983 -2.405 1.00 11.13 C ATOM 1307 C LEU A 81 -7.402 -9.017 -2.878 1.00 31.24 C ATOM 1308 O LEU A 81 -7.696 -9.984 -2.171 1.00 50.35 O ATOM 1309 CB LEU A 81 -7.007 -6.730 -1.714 1.00 1.05 C ATOM 1310 CG LEU A 81 -8.326 -6.928 -0.867 1.00 62.22 C ATOM 1311 CD1 LEU A 81 -8.283 -6.128 0.460 1.00 60.21 C ATOM 1312 CD2 LEU A 81 -9.591 -6.543 -1.696 1.00 3.10 C ATOM 0 H LEU A 81 -5.702 -6.574 -3.818 1.00 1.52 H new ATOM 0 HA LEU A 81 -5.744 -8.473 -1.654 1.00 11.13 H new ATOM 0 HB2 LEU A 81 -6.255 -6.291 -1.058 1.00 1.05 H new ATOM 0 HB3 LEU A 81 -7.220 -5.996 -2.491 1.00 1.05 H new ATOM 0 HG LEU A 81 -8.388 -7.987 -0.615 1.00 62.22 H new ATOM 0 HD11 LEU A 81 -9.208 -6.291 1.013 1.00 60.21 H new ATOM 0 HD12 LEU A 81 -7.437 -6.464 1.060 1.00 60.21 H new ATOM 0 HD13 LEU A 81 -8.173 -5.066 0.241 1.00 60.21 H new ATOM 0 HD21 LEU A 81 -10.483 -6.689 -1.087 1.00 3.10 H new ATOM 0 HD22 LEU A 81 -9.525 -5.497 -1.997 1.00 3.10 H new ATOM 0 HD23 LEU A 81 -9.650 -7.173 -2.584 1.00 3.10 H new ATOM 1324 N GLN A 82 -7.918 -8.805 -4.102 1.00 71.24 N ATOM 1325 CA GLN A 82 -8.868 -9.721 -4.752 1.00 74.53 C ATOM 1326 C GLN A 82 -8.123 -10.982 -5.276 1.00 34.31 C ATOM 1327 O GLN A 82 -8.680 -12.088 -5.247 1.00 73.51 O ATOM 1328 CB GLN A 82 -9.618 -8.979 -5.905 1.00 25.34 C ATOM 1329 CG GLN A 82 -10.934 -9.636 -6.373 1.00 63.43 C ATOM 1330 CD GLN A 82 -12.028 -9.610 -5.298 1.00 63.25 C ATOM 1331 OE1 GLN A 82 -12.822 -8.667 -5.230 1.00 0.44 O ATOM 1332 NE2 GLN A 82 -12.080 -10.636 -4.455 1.00 74.30 N ATOM 0 H GLN A 82 -7.686 -7.990 -4.669 1.00 71.24 H new ATOM 0 HA GLN A 82 -9.610 -10.051 -4.024 1.00 74.53 H new ATOM 0 HB2 GLN A 82 -9.836 -7.962 -5.578 1.00 25.34 H new ATOM 0 HB3 GLN A 82 -8.947 -8.901 -6.760 1.00 25.34 H new ATOM 0 HG2 GLN A 82 -11.294 -9.122 -7.264 1.00 63.43 H new ATOM 0 HG3 GLN A 82 -10.737 -10.669 -6.659 1.00 63.43 H new ATOM 0 HE21 GLN A 82 -11.409 -11.399 -4.539 1.00 74.30 H new ATOM 0 HE22 GLN A 82 -12.791 -10.660 -3.724 1.00 74.30 H new ATOM 1341 N ASP A 83 -6.857 -10.797 -5.744 1.00 23.53 N ATOM 1342 CA ASP A 83 -5.952 -11.918 -6.129 1.00 0.44 C ATOM 1343 C ASP A 83 -5.611 -12.768 -4.902 1.00 13.32 C ATOM 1344 O ASP A 83 -5.473 -13.983 -5.004 1.00 63.01 O ATOM 1345 CB ASP A 83 -4.630 -11.398 -6.785 1.00 30.44 C ATOM 1346 CG ASP A 83 -4.769 -11.037 -8.273 1.00 11.32 C ATOM 1347 OD1 ASP A 83 -4.615 -11.937 -9.128 1.00 2.31 O ATOM 1348 OD2 ASP A 83 -5.032 -9.861 -8.602 1.00 34.52 O ATOM 0 H ASP A 83 -6.438 -9.875 -5.864 1.00 23.53 H new ATOM 0 HA ASP A 83 -6.481 -12.525 -6.864 1.00 0.44 H new ATOM 0 HB2 ASP A 83 -4.287 -10.519 -6.239 1.00 30.44 H new ATOM 0 HB3 ASP A 83 -3.859 -12.161 -6.677 1.00 30.44 H new ATOM 1353 N ALA A 84 -5.458 -12.098 -3.752 1.00 3.42 N ATOM 1354 CA ALA A 84 -5.180 -12.754 -2.464 1.00 13.40 C ATOM 1355 C ALA A 84 -6.429 -13.482 -1.918 1.00 23.24 C ATOM 1356 O ALA A 84 -6.313 -14.551 -1.299 1.00 24.41 O ATOM 1357 CB ALA A 84 -4.649 -11.721 -1.468 1.00 24.14 C ATOM 0 H ALA A 84 -5.523 -11.082 -3.687 1.00 3.42 H new ATOM 0 HA ALA A 84 -4.417 -13.517 -2.616 1.00 13.40 H new ATOM 0 HB1 ALA A 84 -4.443 -12.207 -0.514 1.00 24.14 H new ATOM 0 HB2 ALA A 84 -3.731 -11.280 -1.856 1.00 24.14 H new ATOM 0 HB3 ALA A 84 -5.394 -10.939 -1.323 1.00 24.14 H new ATOM 1363 N TYR A 85 -7.630 -12.896 -2.148 1.00 14.33 N ATOM 1364 CA TYR A 85 -8.918 -13.551 -1.794 1.00 21.31 C ATOM 1365 C TYR A 85 -9.141 -14.829 -2.631 1.00 11.21 C ATOM 1366 O TYR A 85 -9.840 -15.750 -2.190 1.00 12.21 O ATOM 1367 CB TYR A 85 -10.119 -12.571 -1.957 1.00 41.10 C ATOM 1368 CG TYR A 85 -10.219 -11.441 -0.901 1.00 60.11 C ATOM 1369 CD1 TYR A 85 -9.485 -11.475 0.294 1.00 23.13 C ATOM 1370 CD2 TYR A 85 -11.071 -10.345 -1.100 1.00 72.10 C ATOM 1371 CE1 TYR A 85 -9.591 -10.465 1.235 1.00 55.04 C ATOM 1372 CE2 TYR A 85 -11.176 -9.336 -0.156 1.00 22.33 C ATOM 1373 CZ TYR A 85 -10.436 -9.403 1.007 1.00 62.34 C ATOM 1374 OH TYR A 85 -10.533 -8.393 1.941 1.00 11.13 O ATOM 0 H TYR A 85 -7.736 -11.976 -2.575 1.00 14.33 H new ATOM 0 HA TYR A 85 -8.860 -13.837 -0.744 1.00 21.31 H new ATOM 0 HB2 TYR A 85 -10.059 -12.114 -2.945 1.00 41.10 H new ATOM 0 HB3 TYR A 85 -11.042 -13.150 -1.929 1.00 41.10 H new ATOM 0 HD1 TYR A 85 -8.823 -12.307 0.484 1.00 23.13 H new ATOM 0 HD2 TYR A 85 -11.656 -10.286 -2.006 1.00 72.10 H new ATOM 0 HE1 TYR A 85 -9.012 -10.510 2.146 1.00 55.04 H new ATOM 0 HE2 TYR A 85 -11.836 -8.499 -0.330 1.00 22.33 H new ATOM 0 HH TYR A 85 -11.171 -7.718 1.628 1.00 11.13 H new ATOM 1384 N GLU A 86 -8.555 -14.859 -3.842 1.00 4.14 N ATOM 1385 CA GLU A 86 -8.471 -16.084 -4.663 1.00 11.32 C ATOM 1386 C GLU A 86 -7.283 -16.918 -4.125 1.00 3.43 C ATOM 1387 O GLU A 86 -6.196 -16.369 -3.911 1.00 54.44 O ATOM 1388 CB GLU A 86 -8.303 -15.720 -6.174 1.00 61.13 C ATOM 1389 CG GLU A 86 -8.876 -16.757 -7.180 1.00 34.35 C ATOM 1390 CD GLU A 86 -8.121 -18.106 -7.233 1.00 62.11 C ATOM 1391 OE1 GLU A 86 -7.139 -18.227 -8.004 1.00 13.44 O ATOM 1392 OE2 GLU A 86 -8.521 -19.065 -6.528 1.00 35.14 O ATOM 0 H GLU A 86 -8.129 -14.041 -4.278 1.00 4.14 H new ATOM 0 HA GLU A 86 -9.387 -16.670 -4.592 1.00 11.32 H new ATOM 0 HB2 GLU A 86 -8.786 -14.760 -6.354 1.00 61.13 H new ATOM 0 HB3 GLU A 86 -7.241 -15.587 -6.382 1.00 61.13 H new ATOM 0 HG2 GLU A 86 -9.918 -16.951 -6.924 1.00 34.35 H new ATOM 0 HG3 GLU A 86 -8.870 -16.315 -8.176 1.00 34.35 H new ATOM 1399 N ARG A 87 -7.530 -18.224 -3.864 1.00 50.44 N ATOM 1400 CA ARG A 87 -6.588 -19.162 -3.172 1.00 52.23 C ATOM 1401 C ARG A 87 -6.569 -18.924 -1.636 1.00 10.45 C ATOM 1402 O ARG A 87 -6.037 -19.750 -0.883 1.00 14.43 O ATOM 1403 CB ARG A 87 -5.161 -19.175 -3.825 1.00 1.10 C ATOM 1404 CG ARG A 87 -5.183 -19.594 -5.317 1.00 64.24 C ATOM 1405 CD ARG A 87 -3.834 -19.429 -6.033 1.00 64.21 C ATOM 1406 NE ARG A 87 -3.958 -19.677 -7.493 1.00 34.53 N ATOM 1407 CZ ARG A 87 -3.754 -18.764 -8.468 1.00 74.42 C ATOM 1408 NH1 ARG A 87 -3.423 -17.507 -8.172 1.00 34.43 N ATOM 1409 NH2 ARG A 87 -3.896 -19.110 -9.736 1.00 31.21 N ATOM 0 H ARG A 87 -8.406 -18.673 -4.131 1.00 50.44 H new ATOM 0 HA ARG A 87 -6.972 -20.172 -3.317 1.00 52.23 H new ATOM 0 HB2 ARG A 87 -4.718 -18.183 -3.738 1.00 1.10 H new ATOM 0 HB3 ARG A 87 -4.520 -19.860 -3.270 1.00 1.10 H new ATOM 0 HG2 ARG A 87 -5.494 -20.636 -5.386 1.00 64.24 H new ATOM 0 HG3 ARG A 87 -5.934 -19.002 -5.839 1.00 64.24 H new ATOM 0 HD2 ARG A 87 -3.453 -18.422 -5.865 1.00 64.21 H new ATOM 0 HD3 ARG A 87 -3.107 -20.120 -5.606 1.00 64.21 H new ATOM 0 HE ARG A 87 -4.220 -20.619 -7.785 1.00 34.53 H new ATOM 0 HH11 ARG A 87 -3.320 -17.223 -7.198 1.00 34.43 H new ATOM 0 HH12 ARG A 87 -3.272 -16.830 -8.920 1.00 34.43 H new ATOM 0 HH21 ARG A 87 -4.159 -20.065 -9.978 1.00 31.21 H new ATOM 0 HH22 ARG A 87 -3.742 -18.422 -10.473 1.00 31.21 H new ATOM 1423 N SER A 88 -7.123 -17.767 -1.205 1.00 45.43 N ATOM 1424 CA SER A 88 -7.714 -17.548 0.129 1.00 53.25 C ATOM 1425 C SER A 88 -6.673 -17.262 1.243 1.00 72.31 C ATOM 1426 O SER A 88 -5.460 -17.303 1.004 1.00 42.41 O ATOM 1427 CB SER A 88 -8.670 -18.718 0.490 1.00 31.22 C ATOM 1428 OG SER A 88 -9.490 -18.418 1.611 1.00 25.42 O ATOM 0 H SER A 88 -7.171 -16.937 -1.796 1.00 45.43 H new ATOM 0 HA SER A 88 -8.298 -16.630 0.070 1.00 53.25 H new ATOM 0 HB2 SER A 88 -9.302 -18.946 -0.369 1.00 31.22 H new ATOM 0 HB3 SER A 88 -8.083 -19.612 0.701 1.00 31.22 H new ATOM 0 HG SER A 88 -10.076 -19.180 1.801 1.00 25.42 H new ATOM 1434 N GLU A 89 -7.205 -16.995 2.466 1.00 65.54 N ATOM 1435 CA GLU A 89 -6.489 -16.358 3.586 1.00 1.20 C ATOM 1436 C GLU A 89 -5.202 -17.087 4.012 1.00 21.55 C ATOM 1437 O GLU A 89 -4.096 -16.529 3.878 1.00 12.20 O ATOM 1438 CB GLU A 89 -7.422 -16.207 4.821 1.00 43.14 C ATOM 1439 CG GLU A 89 -8.737 -15.452 4.570 1.00 73.55 C ATOM 1440 CD GLU A 89 -9.643 -15.433 5.817 1.00 31.13 C ATOM 1441 OE1 GLU A 89 -10.128 -16.511 6.228 1.00 1.22 O ATOM 1442 OE2 GLU A 89 -9.860 -14.355 6.413 1.00 21.11 O ATOM 0 H GLU A 89 -8.171 -17.226 2.698 1.00 65.54 H new ATOM 0 HA GLU A 89 -6.187 -15.380 3.210 1.00 1.20 H new ATOM 0 HB2 GLU A 89 -7.661 -17.202 5.197 1.00 43.14 H new ATOM 0 HB3 GLU A 89 -6.872 -15.692 5.609 1.00 43.14 H new ATOM 0 HG2 GLU A 89 -8.515 -14.428 4.269 1.00 73.55 H new ATOM 0 HG3 GLU A 89 -9.270 -15.919 3.742 1.00 73.55 H new ATOM 1449 N SER A 90 -5.380 -18.317 4.529 1.00 43.44 N ATOM 1450 CA SER A 90 -4.353 -19.042 5.292 1.00 45.32 C ATOM 1451 C SER A 90 -3.979 -18.179 6.533 1.00 51.43 C ATOM 1452 O SER A 90 -4.646 -18.261 7.573 1.00 52.34 O ATOM 1453 CB SER A 90 -3.128 -19.409 4.396 1.00 13.11 C ATOM 1454 OG SER A 90 -2.158 -20.179 5.094 1.00 25.15 O ATOM 0 H SER A 90 -6.251 -18.839 4.426 1.00 43.44 H new ATOM 0 HA SER A 90 -4.738 -20.000 5.641 1.00 45.32 H new ATOM 0 HB2 SER A 90 -3.472 -19.966 3.525 1.00 13.11 H new ATOM 0 HB3 SER A 90 -2.665 -18.494 4.026 1.00 13.11 H new ATOM 0 HG SER A 90 -1.322 -19.672 5.158 1.00 25.15 H new ATOM 1460 N LEU A 91 -2.952 -17.313 6.380 1.00 53.35 N ATOM 1461 CA LEU A 91 -2.632 -16.182 7.297 1.00 30.11 C ATOM 1462 C LEU A 91 -2.117 -14.986 6.461 1.00 13.11 C ATOM 1463 O LEU A 91 -2.243 -13.833 6.853 1.00 23.44 O ATOM 1464 CB LEU A 91 -1.544 -16.586 8.347 1.00 30.32 C ATOM 1465 CG LEU A 91 -1.938 -17.648 9.438 1.00 33.23 C ATOM 1466 CD1 LEU A 91 -0.728 -18.002 10.344 1.00 44.50 C ATOM 1467 CD2 LEU A 91 -3.146 -17.173 10.292 1.00 5.34 C ATOM 0 H LEU A 91 -2.302 -17.378 5.596 1.00 53.35 H new ATOM 0 HA LEU A 91 -3.539 -15.910 7.837 1.00 30.11 H new ATOM 0 HB2 LEU A 91 -0.680 -16.968 7.804 1.00 30.32 H new ATOM 0 HB3 LEU A 91 -1.222 -15.681 8.861 1.00 30.32 H new ATOM 0 HG LEU A 91 -2.241 -18.552 8.910 1.00 33.23 H new ATOM 0 HD11 LEU A 91 -1.033 -18.738 11.087 1.00 44.50 H new ATOM 0 HD12 LEU A 91 0.075 -18.414 9.733 1.00 44.50 H new ATOM 0 HD13 LEU A 91 -0.375 -17.102 10.848 1.00 44.50 H new ATOM 0 HD21 LEU A 91 -3.388 -17.933 11.034 1.00 5.34 H new ATOM 0 HD22 LEU A 91 -2.891 -16.241 10.797 1.00 5.34 H new ATOM 0 HD23 LEU A 91 -4.008 -17.011 9.645 1.00 5.34 H new ATOM 1479 N GLU A 92 -1.586 -15.309 5.274 1.00 10.21 N ATOM 1480 CA GLU A 92 -0.884 -14.390 4.360 1.00 54.31 C ATOM 1481 C GLU A 92 -1.751 -13.181 3.961 1.00 61.24 C ATOM 1482 O GLU A 92 -1.269 -12.049 3.873 1.00 54.14 O ATOM 1483 CB GLU A 92 -0.452 -15.197 3.104 1.00 44.01 C ATOM 1484 CG GLU A 92 0.751 -16.160 3.306 1.00 31.33 C ATOM 1485 CD GLU A 92 0.711 -17.053 4.564 1.00 71.40 C ATOM 1486 OE1 GLU A 92 -0.205 -17.885 4.680 1.00 30.21 O ATOM 1487 OE2 GLU A 92 1.600 -16.924 5.439 1.00 21.14 O ATOM 0 H GLU A 92 -1.635 -16.259 4.906 1.00 10.21 H new ATOM 0 HA GLU A 92 -0.013 -13.981 4.872 1.00 54.31 H new ATOM 0 HB2 GLU A 92 -1.306 -15.779 2.757 1.00 44.01 H new ATOM 0 HB3 GLU A 92 -0.202 -14.493 2.310 1.00 44.01 H new ATOM 0 HG2 GLU A 92 0.823 -16.806 2.431 1.00 31.33 H new ATOM 0 HG3 GLU A 92 1.664 -15.565 3.338 1.00 31.33 H new ATOM 1494 N VAL A 93 -3.039 -13.455 3.751 1.00 41.52 N ATOM 1495 CA VAL A 93 -4.009 -12.472 3.249 1.00 35.04 C ATOM 1496 C VAL A 93 -4.534 -11.568 4.372 1.00 74.22 C ATOM 1497 O VAL A 93 -5.093 -10.512 4.093 1.00 1.40 O ATOM 1498 CB VAL A 93 -5.171 -13.186 2.492 1.00 40.23 C ATOM 1499 CG1 VAL A 93 -6.150 -12.194 1.823 1.00 44.33 C ATOM 1500 CG2 VAL A 93 -4.577 -14.197 1.482 1.00 11.52 C ATOM 0 H VAL A 93 -3.446 -14.374 3.925 1.00 41.52 H new ATOM 0 HA VAL A 93 -3.494 -11.824 2.540 1.00 35.04 H new ATOM 0 HB VAL A 93 -5.773 -13.728 3.221 1.00 40.23 H new ATOM 0 HG11 VAL A 93 -6.937 -12.748 1.312 1.00 44.33 H new ATOM 0 HG12 VAL A 93 -6.594 -11.552 2.584 1.00 44.33 H new ATOM 0 HG13 VAL A 93 -5.610 -11.581 1.101 1.00 44.33 H new ATOM 0 HG21 VAL A 93 -5.386 -14.698 0.951 1.00 11.52 H new ATOM 0 HG22 VAL A 93 -3.946 -13.669 0.767 1.00 11.52 H new ATOM 0 HG23 VAL A 93 -3.980 -14.937 2.016 1.00 11.52 H new ATOM 1510 N ALA A 94 -4.379 -11.984 5.643 1.00 71.42 N ATOM 1511 CA ALA A 94 -4.649 -11.090 6.790 1.00 5.23 C ATOM 1512 C ALA A 94 -3.708 -9.875 6.696 1.00 0.11 C ATOM 1513 O ALA A 94 -4.161 -8.727 6.686 1.00 31.42 O ATOM 1514 CB ALA A 94 -4.496 -11.838 8.131 1.00 65.44 C ATOM 0 H ALA A 94 -4.072 -12.922 5.902 1.00 71.42 H new ATOM 0 HA ALA A 94 -5.682 -10.743 6.752 1.00 5.23 H new ATOM 0 HB1 ALA A 94 -4.701 -11.154 8.955 1.00 65.44 H new ATOM 0 HB2 ALA A 94 -5.200 -12.669 8.166 1.00 65.44 H new ATOM 0 HB3 ALA A 94 -3.479 -12.220 8.221 1.00 65.44 H new ATOM 1520 N PHE A 95 -2.406 -10.175 6.523 1.00 21.53 N ATOM 1521 CA PHE A 95 -1.350 -9.172 6.263 1.00 44.23 C ATOM 1522 C PHE A 95 -1.724 -8.274 5.056 1.00 42.42 C ATOM 1523 O PHE A 95 -1.677 -7.043 5.155 1.00 73.30 O ATOM 1524 CB PHE A 95 -0.006 -9.924 6.022 1.00 14.22 C ATOM 1525 CG PHE A 95 1.192 -9.060 5.594 1.00 62.34 C ATOM 1526 CD1 PHE A 95 2.030 -8.467 6.538 1.00 41.41 C ATOM 1527 CD2 PHE A 95 1.490 -8.875 4.243 1.00 35.31 C ATOM 1528 CE1 PHE A 95 3.124 -7.717 6.143 1.00 11.24 C ATOM 1529 CE2 PHE A 95 2.575 -8.124 3.849 1.00 75.14 C ATOM 1530 CZ PHE A 95 3.398 -7.547 4.798 1.00 23.31 C ATOM 0 H PHE A 95 -2.052 -11.131 6.560 1.00 21.53 H new ATOM 0 HA PHE A 95 -1.244 -8.512 7.124 1.00 44.23 H new ATOM 0 HB2 PHE A 95 0.261 -10.449 6.939 1.00 14.22 H new ATOM 0 HB3 PHE A 95 -0.171 -10.683 5.257 1.00 14.22 H new ATOM 0 HD1 PHE A 95 1.823 -8.595 7.590 1.00 41.41 H new ATOM 0 HD2 PHE A 95 0.859 -9.329 3.493 1.00 35.31 H new ATOM 0 HE1 PHE A 95 3.764 -7.264 6.886 1.00 11.24 H new ATOM 0 HE2 PHE A 95 2.783 -7.986 2.798 1.00 75.14 H new ATOM 0 HZ PHE A 95 4.254 -6.964 4.490 1.00 23.31 H new ATOM 1540 N VAL A 96 -2.108 -8.918 3.932 1.00 72.54 N ATOM 1541 CA VAL A 96 -2.489 -8.218 2.677 1.00 64.23 C ATOM 1542 C VAL A 96 -3.636 -7.206 2.913 1.00 11.54 C ATOM 1543 O VAL A 96 -3.459 -6.007 2.697 1.00 20.11 O ATOM 1544 CB VAL A 96 -2.896 -9.242 1.542 1.00 33.21 C ATOM 1545 CG1 VAL A 96 -3.493 -8.530 0.296 1.00 52.03 C ATOM 1546 CG2 VAL A 96 -1.689 -10.139 1.153 1.00 63.31 C ATOM 0 H VAL A 96 -2.164 -9.934 3.865 1.00 72.54 H new ATOM 0 HA VAL A 96 -1.609 -7.667 2.346 1.00 64.23 H new ATOM 0 HB VAL A 96 -3.682 -9.880 1.946 1.00 33.21 H new ATOM 0 HG11 VAL A 96 -3.757 -9.273 -0.456 1.00 52.03 H new ATOM 0 HG12 VAL A 96 -4.385 -7.975 0.587 1.00 52.03 H new ATOM 0 HG13 VAL A 96 -2.756 -7.842 -0.118 1.00 52.03 H new ATOM 0 HG21 VAL A 96 -1.991 -10.836 0.371 1.00 63.31 H new ATOM 0 HG22 VAL A 96 -0.874 -9.514 0.788 1.00 63.31 H new ATOM 0 HG23 VAL A 96 -1.354 -10.697 2.027 1.00 63.31 H new ATOM 1556 N THR A 97 -4.783 -7.719 3.392 1.00 25.12 N ATOM 1557 CA THR A 97 -6.025 -6.946 3.602 1.00 45.02 C ATOM 1558 C THR A 97 -5.799 -5.766 4.565 1.00 11.31 C ATOM 1559 O THR A 97 -6.270 -4.632 4.302 1.00 23.44 O ATOM 1560 CB THR A 97 -7.152 -7.889 4.142 1.00 15.10 C ATOM 1561 OG1 THR A 97 -7.410 -8.911 3.170 1.00 33.34 O ATOM 1562 CG2 THR A 97 -8.464 -7.145 4.453 1.00 1.04 C ATOM 0 H THR A 97 -4.877 -8.701 3.650 1.00 25.12 H new ATOM 0 HA THR A 97 -6.334 -6.530 2.643 1.00 45.02 H new ATOM 0 HB THR A 97 -6.795 -8.315 5.080 1.00 15.10 H new ATOM 0 HG1 THR A 97 -6.664 -9.546 3.157 1.00 33.34 H new ATOM 0 HG21 THR A 97 -9.205 -7.853 4.823 1.00 1.04 H new ATOM 0 HG22 THR A 97 -8.280 -6.383 5.211 1.00 1.04 H new ATOM 0 HG23 THR A 97 -8.837 -6.671 3.545 1.00 1.04 H new ATOM 1570 N GLN A 98 -5.049 -6.042 5.659 1.00 35.15 N ATOM 1571 CA GLN A 98 -4.655 -5.018 6.637 1.00 52.00 C ATOM 1572 C GLN A 98 -3.894 -3.896 5.926 1.00 12.44 C ATOM 1573 O GLN A 98 -4.401 -2.794 5.844 1.00 12.25 O ATOM 1574 CB GLN A 98 -3.790 -5.609 7.789 1.00 42.31 C ATOM 1575 CG GLN A 98 -4.561 -6.512 8.778 1.00 34.12 C ATOM 1576 CD GLN A 98 -5.666 -5.782 9.549 1.00 51.24 C ATOM 1577 OE1 GLN A 98 -6.823 -5.754 9.128 1.00 42.53 O ATOM 1578 NE2 GLN A 98 -5.318 -5.189 10.682 1.00 74.43 N ATOM 0 H GLN A 98 -4.706 -6.977 5.881 1.00 35.15 H new ATOM 0 HA GLN A 98 -5.564 -4.620 7.089 1.00 52.00 H new ATOM 0 HB2 GLN A 98 -2.974 -6.185 7.353 1.00 42.31 H new ATOM 0 HB3 GLN A 98 -3.339 -4.787 8.345 1.00 42.31 H new ATOM 0 HG2 GLN A 98 -5.003 -7.343 8.228 1.00 34.12 H new ATOM 0 HG3 GLN A 98 -3.856 -6.940 9.490 1.00 34.12 H new ATOM 0 HE21 GLN A 98 -4.351 -5.231 11.003 1.00 74.43 H new ATOM 0 HE22 GLN A 98 -6.017 -4.691 11.233 1.00 74.43 H new ATOM 1587 N LEU A 99 -2.738 -4.230 5.322 1.00 21.23 N ATOM 1588 CA LEU A 99 -1.821 -3.225 4.731 1.00 40.24 C ATOM 1589 C LEU A 99 -2.464 -2.441 3.561 1.00 62.03 C ATOM 1590 O LEU A 99 -2.124 -1.280 3.352 1.00 14.14 O ATOM 1591 CB LEU A 99 -0.460 -3.877 4.319 1.00 70.22 C ATOM 1592 CG LEU A 99 0.615 -3.995 5.456 1.00 30.52 C ATOM 1593 CD1 LEU A 99 0.200 -4.966 6.585 1.00 42.24 C ATOM 1594 CD2 LEU A 99 2.015 -4.334 4.882 1.00 33.10 C ATOM 0 H LEU A 99 -2.412 -5.192 5.228 1.00 21.23 H new ATOM 0 HA LEU A 99 -1.616 -2.489 5.508 1.00 40.24 H new ATOM 0 HB2 LEU A 99 -0.660 -4.875 3.930 1.00 70.22 H new ATOM 0 HB3 LEU A 99 -0.034 -3.296 3.501 1.00 70.22 H new ATOM 0 HG LEU A 99 0.680 -3.011 5.921 1.00 30.52 H new ATOM 0 HD11 LEU A 99 0.985 -5.003 7.340 1.00 42.24 H new ATOM 0 HD12 LEU A 99 -0.726 -4.618 7.042 1.00 42.24 H new ATOM 0 HD13 LEU A 99 0.048 -5.962 6.170 1.00 42.24 H new ATOM 0 HD21 LEU A 99 2.734 -4.408 5.698 1.00 33.10 H new ATOM 0 HD22 LEU A 99 1.970 -5.285 4.350 1.00 33.10 H new ATOM 0 HD23 LEU A 99 2.326 -3.548 4.194 1.00 33.10 H new ATOM 1606 N VAL A 100 -3.403 -3.078 2.834 1.00 25.51 N ATOM 1607 CA VAL A 100 -4.239 -2.397 1.809 1.00 42.31 C ATOM 1608 C VAL A 100 -5.106 -1.311 2.482 1.00 71.31 C ATOM 1609 O VAL A 100 -5.096 -0.136 2.066 1.00 43.43 O ATOM 1610 CB VAL A 100 -5.153 -3.435 1.036 1.00 74.13 C ATOM 1611 CG1 VAL A 100 -6.279 -2.748 0.211 1.00 20.22 C ATOM 1612 CG2 VAL A 100 -4.294 -4.357 0.132 1.00 52.01 C ATOM 0 H VAL A 100 -3.607 -4.072 2.935 1.00 25.51 H new ATOM 0 HA VAL A 100 -3.579 -1.928 1.079 1.00 42.31 H new ATOM 0 HB VAL A 100 -5.646 -4.044 1.794 1.00 74.13 H new ATOM 0 HG11 VAL A 100 -6.873 -3.508 -0.297 1.00 20.22 H new ATOM 0 HG12 VAL A 100 -6.920 -2.173 0.879 1.00 20.22 H new ATOM 0 HG13 VAL A 100 -5.834 -2.082 -0.528 1.00 20.22 H new ATOM 0 HG21 VAL A 100 -4.942 -5.062 -0.389 1.00 52.01 H new ATOM 0 HG22 VAL A 100 -3.755 -3.752 -0.597 1.00 52.01 H new ATOM 0 HG23 VAL A 100 -3.580 -4.906 0.746 1.00 52.01 H new ATOM 1622 N LYS A 101 -5.828 -1.728 3.543 1.00 32.11 N ATOM 1623 CA LYS A 101 -6.764 -0.856 4.283 1.00 70.12 C ATOM 1624 C LYS A 101 -6.002 0.297 4.984 1.00 43.14 C ATOM 1625 O LYS A 101 -6.464 1.440 4.999 1.00 31.24 O ATOM 1626 CB LYS A 101 -7.582 -1.719 5.319 1.00 14.01 C ATOM 1627 CG LYS A 101 -9.120 -1.437 5.348 1.00 74.24 C ATOM 1628 CD LYS A 101 -9.987 -2.708 5.129 1.00 31.32 C ATOM 1629 CE LYS A 101 -9.740 -3.407 3.771 1.00 10.01 C ATOM 1630 NZ LYS A 101 -10.651 -4.567 3.569 1.00 63.14 N ATOM 0 H LYS A 101 -5.779 -2.678 3.911 1.00 32.11 H new ATOM 0 HA LYS A 101 -7.464 -0.402 3.581 1.00 70.12 H new ATOM 0 HB2 LYS A 101 -7.426 -2.774 5.093 1.00 14.01 H new ATOM 0 HB3 LYS A 101 -7.177 -1.543 6.315 1.00 14.01 H new ATOM 0 HG2 LYS A 101 -9.381 -0.989 6.307 1.00 74.24 H new ATOM 0 HG3 LYS A 101 -9.362 -0.705 4.578 1.00 74.24 H new ATOM 0 HD2 LYS A 101 -9.786 -3.416 5.933 1.00 31.32 H new ATOM 0 HD3 LYS A 101 -11.040 -2.435 5.200 1.00 31.32 H new ATOM 0 HE2 LYS A 101 -9.881 -2.690 2.963 1.00 10.01 H new ATOM 0 HE3 LYS A 101 -8.705 -3.745 3.720 1.00 10.01 H new ATOM 0 HZ1 LYS A 101 -10.453 -5.007 2.648 1.00 63.14 H new ATOM 0 HZ2 LYS A 101 -10.499 -5.264 4.326 1.00 63.14 H new ATOM 0 HZ3 LYS A 101 -11.638 -4.241 3.592 1.00 63.14 H new ATOM 1644 N LYS A 102 -4.810 -0.025 5.522 1.00 21.51 N ATOM 1645 CA LYS A 102 -3.956 0.931 6.259 1.00 14.15 C ATOM 1646 C LYS A 102 -3.315 1.940 5.284 1.00 11.23 C ATOM 1647 O LYS A 102 -3.171 3.112 5.621 1.00 24.22 O ATOM 1648 CB LYS A 102 -2.826 0.202 7.023 1.00 45.31 C ATOM 1649 CG LYS A 102 -3.247 -0.935 7.977 1.00 1.14 C ATOM 1650 CD LYS A 102 -3.842 -0.474 9.320 1.00 2.22 C ATOM 1651 CE LYS A 102 -4.156 -1.676 10.235 1.00 21.12 C ATOM 1652 NZ LYS A 102 -4.637 -1.267 11.577 1.00 32.25 N ATOM 0 H LYS A 102 -4.409 -0.961 5.458 1.00 21.51 H new ATOM 0 HA LYS A 102 -4.594 1.451 6.973 1.00 14.15 H new ATOM 0 HB2 LYS A 102 -2.132 -0.210 6.290 1.00 45.31 H new ATOM 0 HB3 LYS A 102 -2.275 0.943 7.602 1.00 45.31 H new ATOM 0 HG2 LYS A 102 -3.980 -1.562 7.469 1.00 1.14 H new ATOM 0 HG3 LYS A 102 -2.377 -1.560 8.178 1.00 1.14 H new ATOM 0 HD2 LYS A 102 -3.141 0.194 9.821 1.00 2.22 H new ATOM 0 HD3 LYS A 102 -4.753 0.097 9.140 1.00 2.22 H new ATOM 0 HE2 LYS A 102 -4.911 -2.302 9.759 1.00 21.12 H new ATOM 0 HE3 LYS A 102 -3.260 -2.286 10.346 1.00 21.12 H new ATOM 0 HZ1 LYS A 102 -4.832 -2.114 12.149 1.00 32.25 H new ATOM 0 HZ2 LYS A 102 -3.908 -0.693 12.047 1.00 32.25 H new ATOM 0 HZ3 LYS A 102 -5.508 -0.708 11.478 1.00 32.25 H new ATOM 1666 N LEU A 103 -2.907 1.451 4.085 1.00 13.30 N ATOM 1667 CA LEU A 103 -2.323 2.303 3.015 1.00 63.14 C ATOM 1668 C LEU A 103 -3.392 3.310 2.548 1.00 65.43 C ATOM 1669 O LEU A 103 -3.090 4.477 2.286 1.00 24.10 O ATOM 1670 CB LEU A 103 -1.806 1.440 1.806 1.00 41.34 C ATOM 1671 CG LEU A 103 -0.507 1.936 1.059 1.00 24.22 C ATOM 1672 CD1 LEU A 103 -0.656 3.361 0.462 1.00 61.34 C ATOM 1673 CD2 LEU A 103 0.732 1.838 1.986 1.00 64.42 C ATOM 0 H LEU A 103 -2.972 0.465 3.833 1.00 13.30 H new ATOM 0 HA LEU A 103 -1.461 2.836 3.416 1.00 63.14 H new ATOM 0 HB2 LEU A 103 -1.620 0.429 2.170 1.00 41.34 H new ATOM 0 HB3 LEU A 103 -2.610 1.372 1.073 1.00 41.34 H new ATOM 0 HG LEU A 103 -0.359 1.268 0.211 1.00 24.22 H new ATOM 0 HD11 LEU A 103 0.270 3.645 -0.038 1.00 61.34 H new ATOM 0 HD12 LEU A 103 -1.475 3.370 -0.258 1.00 61.34 H new ATOM 0 HD13 LEU A 103 -0.868 4.070 1.262 1.00 61.34 H new ATOM 0 HD21 LEU A 103 1.616 2.185 1.450 1.00 64.42 H new ATOM 0 HD22 LEU A 103 0.576 2.458 2.869 1.00 64.42 H new ATOM 0 HD23 LEU A 103 0.877 0.802 2.292 1.00 64.42 H new ATOM 1685 N LEU A 104 -4.642 2.826 2.452 1.00 62.04 N ATOM 1686 CA LEU A 104 -5.813 3.670 2.150 1.00 42.53 C ATOM 1687 C LEU A 104 -6.020 4.735 3.261 1.00 12.12 C ATOM 1688 O LEU A 104 -6.284 5.903 2.971 1.00 53.41 O ATOM 1689 CB LEU A 104 -7.066 2.765 1.969 1.00 62.11 C ATOM 1690 CG LEU A 104 -8.407 3.479 1.613 1.00 23.42 C ATOM 1691 CD1 LEU A 104 -8.271 4.344 0.333 1.00 4.22 C ATOM 1692 CD2 LEU A 104 -9.560 2.450 1.479 1.00 33.50 C ATOM 0 H LEU A 104 -4.870 1.840 2.581 1.00 62.04 H new ATOM 0 HA LEU A 104 -5.646 4.212 1.219 1.00 42.53 H new ATOM 0 HB2 LEU A 104 -6.850 2.039 1.185 1.00 62.11 H new ATOM 0 HB3 LEU A 104 -7.215 2.204 2.891 1.00 62.11 H new ATOM 0 HG LEU A 104 -8.651 4.154 2.433 1.00 23.42 H new ATOM 0 HD11 LEU A 104 -9.225 4.826 0.116 1.00 4.22 H new ATOM 0 HD12 LEU A 104 -7.507 5.106 0.488 1.00 4.22 H new ATOM 0 HD13 LEU A 104 -7.986 3.710 -0.506 1.00 4.22 H new ATOM 0 HD21 LEU A 104 -10.485 2.970 1.231 1.00 33.50 H new ATOM 0 HD22 LEU A 104 -9.321 1.737 0.690 1.00 33.50 H new ATOM 0 HD23 LEU A 104 -9.685 1.919 2.422 1.00 33.50 H new ATOM 1704 N ILE A 105 -5.873 4.305 4.525 1.00 53.24 N ATOM 1705 CA ILE A 105 -5.927 5.193 5.718 1.00 75.43 C ATOM 1706 C ILE A 105 -4.782 6.254 5.716 1.00 31.44 C ATOM 1707 O ILE A 105 -4.979 7.374 6.200 1.00 11.41 O ATOM 1708 CB ILE A 105 -5.934 4.313 7.042 1.00 71.31 C ATOM 1709 CG1 ILE A 105 -7.334 3.623 7.216 1.00 33.53 C ATOM 1710 CG2 ILE A 105 -5.533 5.112 8.313 1.00 30.12 C ATOM 1711 CD1 ILE A 105 -7.422 2.635 8.361 1.00 24.13 C ATOM 0 H ILE A 105 -5.712 3.325 4.759 1.00 53.24 H new ATOM 0 HA ILE A 105 -6.855 5.764 5.682 1.00 75.43 H new ATOM 0 HB ILE A 105 -5.167 3.547 6.925 1.00 71.31 H new ATOM 0 HG12 ILE A 105 -8.088 4.396 7.364 1.00 33.53 H new ATOM 0 HG13 ILE A 105 -7.585 3.106 6.290 1.00 33.53 H new ATOM 0 HG21 ILE A 105 -5.558 4.452 9.180 1.00 30.12 H new ATOM 0 HG22 ILE A 105 -4.526 5.511 8.189 1.00 30.12 H new ATOM 0 HG23 ILE A 105 -6.233 5.934 8.462 1.00 30.12 H new ATOM 0 HD11 ILE A 105 -8.426 2.212 8.400 1.00 24.13 H new ATOM 0 HD12 ILE A 105 -6.697 1.836 8.208 1.00 24.13 H new ATOM 0 HD13 ILE A 105 -7.207 3.146 9.300 1.00 24.13 H new ATOM 1723 N ILE A 106 -3.608 5.888 5.161 1.00 22.11 N ATOM 1724 CA ILE A 106 -2.468 6.817 4.975 1.00 21.00 C ATOM 1725 C ILE A 106 -2.853 7.935 3.989 1.00 42.25 C ATOM 1726 O ILE A 106 -2.830 9.120 4.339 1.00 55.12 O ATOM 1727 CB ILE A 106 -1.189 6.055 4.448 1.00 44.33 C ATOM 1728 CG1 ILE A 106 -0.650 5.044 5.501 1.00 41.50 C ATOM 1729 CG2 ILE A 106 -0.070 7.031 4.019 1.00 72.34 C ATOM 1730 CD1 ILE A 106 0.477 4.186 4.986 1.00 50.41 C ATOM 0 H ILE A 106 -3.421 4.942 4.829 1.00 22.11 H new ATOM 0 HA ILE A 106 -2.229 7.255 5.944 1.00 21.00 H new ATOM 0 HB ILE A 106 -1.503 5.496 3.566 1.00 44.33 H new ATOM 0 HG12 ILE A 106 -0.307 5.593 6.378 1.00 41.50 H new ATOM 0 HG13 ILE A 106 -1.467 4.400 5.827 1.00 41.50 H new ATOM 0 HG21 ILE A 106 0.791 6.464 3.663 1.00 72.34 H new ATOM 0 HG22 ILE A 106 -0.436 7.675 3.219 1.00 72.34 H new ATOM 0 HG23 ILE A 106 0.226 7.643 4.871 1.00 72.34 H new ATOM 0 HD11 ILE A 106 0.804 3.505 5.772 1.00 50.41 H new ATOM 0 HD12 ILE A 106 0.133 3.610 4.127 1.00 50.41 H new ATOM 0 HD13 ILE A 106 1.311 4.821 4.687 1.00 50.41 H new ATOM 1742 N ILE A 107 -3.254 7.533 2.770 1.00 2.55 N ATOM 1743 CA ILE A 107 -3.577 8.468 1.673 1.00 11.21 C ATOM 1744 C ILE A 107 -5.008 9.069 1.814 1.00 4.54 C ATOM 1745 O ILE A 107 -5.506 9.745 0.904 1.00 11.25 O ATOM 1746 CB ILE A 107 -3.371 7.765 0.274 1.00 25.31 C ATOM 1747 CG1 ILE A 107 -4.386 6.593 0.057 1.00 61.21 C ATOM 1748 CG2 ILE A 107 -1.905 7.260 0.129 1.00 42.25 C ATOM 1749 CD1 ILE A 107 -4.213 5.820 -1.246 1.00 54.13 C ATOM 0 H ILE A 107 -3.364 6.551 2.516 1.00 2.55 H new ATOM 0 HA ILE A 107 -2.886 9.309 1.737 1.00 11.21 H new ATOM 0 HB ILE A 107 -3.563 8.508 -0.500 1.00 25.31 H new ATOM 0 HG12 ILE A 107 -4.295 5.896 0.890 1.00 61.21 H new ATOM 0 HG13 ILE A 107 -5.397 6.998 0.089 1.00 61.21 H new ATOM 0 HG21 ILE A 107 -1.780 6.778 -0.841 1.00 42.25 H new ATOM 0 HG22 ILE A 107 -1.220 8.104 0.205 1.00 42.25 H new ATOM 0 HG23 ILE A 107 -1.687 6.543 0.921 1.00 42.25 H new ATOM 0 HD11 ILE A 107 -4.962 5.030 -1.303 1.00 54.13 H new ATOM 0 HD12 ILE A 107 -4.336 6.498 -2.090 1.00 54.13 H new ATOM 0 HD13 ILE A 107 -3.217 5.378 -1.278 1.00 54.13 H new ATOM 1761 N SER A 108 -5.636 8.823 2.980 1.00 71.01 N ATOM 1762 CA SER A 108 -6.918 9.415 3.379 1.00 52.24 C ATOM 1763 C SER A 108 -6.890 9.607 4.924 1.00 22.22 C ATOM 1764 O SER A 108 -5.869 10.052 5.456 1.00 13.21 O ATOM 1765 CB SER A 108 -8.070 8.499 2.894 1.00 73.21 C ATOM 1766 OG SER A 108 -9.332 9.107 3.119 1.00 54.03 O ATOM 0 H SER A 108 -5.253 8.192 3.684 1.00 71.01 H new ATOM 0 HA SER A 108 -7.084 10.391 2.923 1.00 52.24 H new ATOM 0 HB2 SER A 108 -7.948 8.287 1.832 1.00 73.21 H new ATOM 0 HB3 SER A 108 -8.024 7.544 3.417 1.00 73.21 H new ATOM 0 HG SER A 108 -10.043 8.511 2.803 1.00 54.03 H new ATOM 1772 N ARG A 109 -8.005 9.322 5.638 1.00 65.42 N ATOM 1773 CA ARG A 109 -8.081 9.399 7.116 1.00 34.23 C ATOM 1774 C ARG A 109 -8.587 8.045 7.685 1.00 0.33 C ATOM 1775 O ARG A 109 -9.269 7.302 6.966 1.00 11.41 O ATOM 1776 CB ARG A 109 -9.031 10.557 7.581 1.00 24.42 C ATOM 1777 CG ARG A 109 -8.625 11.988 7.142 1.00 50.24 C ATOM 1778 CD ARG A 109 -9.039 12.333 5.698 1.00 73.33 C ATOM 1779 NE ARG A 109 -8.464 13.619 5.258 1.00 72.23 N ATOM 1780 CZ ARG A 109 -8.333 14.021 3.983 1.00 35.42 C ATOM 1781 NH1 ARG A 109 -8.730 13.252 2.970 1.00 32.13 N ATOM 1782 NH2 ARG A 109 -7.807 15.208 3.721 1.00 4.33 N ATOM 0 H ARG A 109 -8.880 9.031 5.203 1.00 65.42 H new ATOM 0 HA ARG A 109 -7.081 9.609 7.496 1.00 34.23 H new ATOM 0 HB2 ARG A 109 -10.032 10.353 7.202 1.00 24.42 H new ATOM 0 HB3 ARG A 109 -9.091 10.536 8.669 1.00 24.42 H new ATOM 0 HG2 ARG A 109 -9.077 12.709 7.823 1.00 50.24 H new ATOM 0 HG3 ARG A 109 -7.544 12.095 7.236 1.00 50.24 H new ATOM 0 HD2 ARG A 109 -8.712 11.539 5.026 1.00 73.33 H new ATOM 0 HD3 ARG A 109 -10.126 12.379 5.632 1.00 73.33 H new ATOM 0 HE ARG A 109 -8.138 14.257 5.984 1.00 72.23 H new ATOM 0 HH11 ARG A 109 -9.143 12.338 3.155 1.00 32.13 H new ATOM 0 HH12 ARG A 109 -8.621 13.577 2.009 1.00 32.13 H new ATOM 0 HH21 ARG A 109 -7.504 15.811 4.485 1.00 4.33 H new ATOM 0 HH22 ARG A 109 -7.705 15.519 2.755 1.00 4.33 H new ATOM 1796 N PRO A 110 -8.256 7.696 8.979 1.00 34.44 N ATOM 1797 CA PRO A 110 -8.784 6.468 9.641 1.00 0.42 C ATOM 1798 C PRO A 110 -10.316 6.527 9.860 1.00 14.41 C ATOM 1799 O PRO A 110 -10.841 7.555 10.322 1.00 45.45 O ATOM 1800 CB PRO A 110 -8.013 6.430 10.989 1.00 71.44 C ATOM 1801 CG PRO A 110 -7.601 7.849 11.245 1.00 61.44 C ATOM 1802 CD PRO A 110 -7.322 8.441 9.884 1.00 42.12 C ATOM 0 HA PRO A 110 -8.635 5.573 9.037 1.00 0.42 H new ATOM 0 HB2 PRO A 110 -8.644 6.052 11.793 1.00 71.44 H new ATOM 0 HB3 PRO A 110 -7.146 5.773 10.928 1.00 71.44 H new ATOM 0 HG2 PRO A 110 -8.389 8.400 11.758 1.00 61.44 H new ATOM 0 HG3 PRO A 110 -6.716 7.892 11.880 1.00 61.44 H new ATOM 0 HD2 PRO A 110 -7.516 9.513 9.866 1.00 42.12 H new ATOM 0 HD3 PRO A 110 -6.282 8.300 9.591 1.00 42.12 H new ATOM 1810 N ALA A 111 -11.003 5.415 9.495 1.00 62.11 N ATOM 1811 CA ALA A 111 -12.465 5.234 9.656 1.00 33.05 C ATOM 1812 C ALA A 111 -13.296 6.242 8.821 1.00 1.23 C ATOM 1813 O ALA A 111 -12.743 7.021 8.034 1.00 34.44 O ATOM 1814 CB ALA A 111 -12.851 5.265 11.152 1.00 73.02 C ATOM 0 H ALA A 111 -10.547 4.606 9.073 1.00 62.11 H new ATOM 0 HA ALA A 111 -12.714 4.250 9.258 1.00 33.05 H new ATOM 0 HB1 ALA A 111 -13.928 5.131 11.253 1.00 73.02 H new ATOM 0 HB2 ALA A 111 -12.334 4.462 11.678 1.00 73.02 H new ATOM 0 HB3 ALA A 111 -12.563 6.224 11.582 1.00 73.02 H new ATOM 1820 N ARG A 112 -14.637 6.189 8.974 1.00 74.45 N ATOM 1821 CA ARG A 112 -15.556 7.099 8.263 1.00 45.43 C ATOM 1822 C ARG A 112 -15.657 8.424 9.067 1.00 52.13 C ATOM 1823 O ARG A 112 -14.881 9.361 8.800 1.00 10.32 O ATOM 1824 CB ARG A 112 -16.966 6.442 8.083 1.00 74.41 C ATOM 1825 CG ARG A 112 -16.973 4.997 7.547 1.00 13.43 C ATOM 1826 CD ARG A 112 -16.329 4.847 6.156 1.00 44.14 C ATOM 1827 NE ARG A 112 -16.336 3.437 5.717 1.00 32.00 N ATOM 1828 CZ ARG A 112 -16.565 2.991 4.466 1.00 35.43 C ATOM 1829 NH1 ARG A 112 -16.799 3.842 3.467 1.00 43.32 N ATOM 1830 NH2 ARG A 112 -16.580 1.687 4.241 1.00 53.43 N ATOM 1831 OXT ARG A 112 -16.483 8.505 10.000 1.00 38.47 O ATOM 0 H ARG A 112 -15.107 5.522 9.586 1.00 74.45 H new ATOM 0 HA ARG A 112 -15.169 7.306 7.265 1.00 45.43 H new ATOM 0 HB2 ARG A 112 -17.476 6.454 9.046 1.00 74.41 H new ATOM 0 HB3 ARG A 112 -17.551 7.063 7.405 1.00 74.41 H new ATOM 0 HG2 ARG A 112 -16.445 4.355 8.253 1.00 13.43 H new ATOM 0 HG3 ARG A 112 -18.002 4.641 7.501 1.00 13.43 H new ATOM 0 HD2 ARG A 112 -16.869 5.459 5.434 1.00 44.14 H new ATOM 0 HD3 ARG A 112 -15.304 5.217 6.184 1.00 44.14 H new ATOM 0 HE ARG A 112 -16.149 2.732 6.430 1.00 32.00 H new ATOM 0 HH11 ARG A 112 -16.806 4.847 3.644 1.00 43.32 H new ATOM 0 HH12 ARG A 112 -16.971 3.489 2.526 1.00 43.32 H new ATOM 0 HH21 ARG A 112 -16.420 1.035 5.009 1.00 53.43 H new ATOM 0 HH22 ARG A 112 -16.752 1.334 3.300 1.00 53.43 H new TER 1845 ARG A 112