USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 664 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 50 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 54 ASN : amide:sc= 0.78 K(o=0.78,f=-0.0052) USER MOD Set 2.1: A 35 GLN : amide:sc=-0.000864 X(o=-3.9,f=-3.9) USER MOD Set 2.2: A 46 GLN : amide:sc= -3.89! C(o=-3.9!,f=-4.6!) USER MOD Set 3.1: A 19 HIS : no HD1:sc= -0.431 K(o=-0.69,f=-1.3) USER MOD Set 3.2: A 20 THR OG1 : rot 180:sc= -0.256 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 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.33) USER MOD Single : A 7 HIS : no HE2:sc= -0.185 K(o=-0.18,f=-2!) USER MOD Single : A 8 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.61) 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 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 96:sc= 0.0778 USER MOD Single : A 24 ASN : amide:sc= -1.04 X(o=-1,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -1.64! (180deg=-4.6!) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.0297 (180deg=-0.184) USER MOD Single : A 33 MET CE :methyl -136:sc= -0.48 (180deg=-0.909) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0223 F(o=-0.86,f=-0.022) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -37:sc= -0.956! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -137:sc= -0.197 (180deg=-0.956) USER MOD Single : A 51 SER OG : rot -102:sc= 0.163 USER MOD Single : A 55 SER OG : rot 62:sc= 0.47 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00781 X(o=-0.0078,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -102:sc= 0.96 (180deg=-1.15!) USER MOD Single : A 66 CYS SG : rot 83:sc= -3.8! USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 77 LYS NZ :NH3+ 158:sc= 1.35 (180deg=-0.24) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= -0.0219 (180deg=-0.165) USER MOD Single : A 79 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -164:sc= -0.0534 (180deg=-0.381) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.242 -2.527 20.934 1.00 32.21 N ATOM 2 CA MET A 1 2.272 -3.911 20.385 1.00 12.44 C ATOM 3 C MET A 1 2.835 -3.938 18.957 1.00 5.13 C ATOM 4 O MET A 1 2.424 -3.155 18.101 1.00 31.44 O ATOM 5 CB MET A 1 0.859 -4.508 20.409 1.00 21.02 C ATOM 6 CG MET A 1 0.745 -5.859 19.716 1.00 53.54 C ATOM 7 SD MET A 1 1.946 -7.056 20.330 1.00 14.33 S ATOM 8 CE MET A 1 1.514 -8.503 19.362 1.00 52.13 C ATOM 0 H1 MET A 1 1.856 -2.545 21.900 1.00 32.21 H new ATOM 0 H2 MET A 1 3.207 -2.140 20.954 1.00 32.21 H new ATOM 0 H3 MET A 1 1.641 -1.928 20.332 1.00 32.21 H new ATOM 0 HA MET A 1 2.932 -4.511 21.012 1.00 12.44 H new ATOM 0 HB2 MET A 1 0.538 -4.615 21.445 1.00 21.02 H new ATOM 0 HB3 MET A 1 0.172 -3.808 19.933 1.00 21.02 H new ATOM 0 HG2 MET A 1 -0.261 -6.253 19.859 1.00 53.54 H new ATOM 0 HG3 MET A 1 0.886 -5.726 18.643 1.00 53.54 H new ATOM 0 HE1 MET A 1 2.172 -9.330 19.630 1.00 52.13 H new ATOM 0 HE2 MET A 1 0.480 -8.781 19.565 1.00 52.13 H new ATOM 0 HE3 MET A 1 1.627 -8.278 18.301 1.00 52.13 H new ATOM 20 N GLY A 2 3.777 -4.846 18.708 1.00 73.03 N ATOM 21 CA GLY A 2 4.370 -4.963 17.381 1.00 11.50 C ATOM 22 C GLY A 2 5.627 -5.832 17.356 1.00 11.02 C ATOM 23 O GLY A 2 6.411 -5.836 18.309 1.00 40.21 O ATOM 0 H GLY A 2 4.141 -5.502 19.399 1.00 73.03 H new ATOM 0 HA2 GLY A 2 3.633 -5.383 16.697 1.00 11.50 H new ATOM 0 HA3 GLY A 2 4.617 -3.968 17.012 1.00 11.50 H new ATOM 27 N HIS A 3 5.816 -6.578 16.270 1.00 30.03 N ATOM 28 CA HIS A 3 7.009 -7.415 16.099 1.00 24.31 C ATOM 29 C HIS A 3 8.109 -6.638 15.357 1.00 61.34 C ATOM 30 O HIS A 3 7.833 -5.929 14.391 1.00 12.22 O ATOM 31 CB HIS A 3 6.651 -8.698 15.338 1.00 3.22 C ATOM 32 CG HIS A 3 5.567 -9.494 15.998 1.00 44.50 C ATOM 33 ND1 HIS A 3 4.341 -9.722 15.413 1.00 3.10 N ATOM 34 CD2 HIS A 3 5.528 -10.124 17.197 1.00 41.35 C ATOM 35 CE1 HIS A 3 3.598 -10.452 16.218 1.00 60.43 C ATOM 36 NE2 HIS A 3 4.292 -10.710 17.307 1.00 30.50 N ATOM 0 H HIS A 3 5.159 -6.622 15.491 1.00 30.03 H new ATOM 0 HA HIS A 3 7.387 -7.689 17.084 1.00 24.31 H new ATOM 0 HB2 HIS A 3 6.337 -8.437 14.327 1.00 3.22 H new ATOM 0 HB3 HIS A 3 7.543 -9.318 15.245 1.00 3.22 H new ATOM 0 HD2 HIS A 3 6.321 -10.159 17.929 1.00 41.35 H new ATOM 0 HE1 HIS A 3 2.590 -10.783 16.019 1.00 60.43 H new ATOM 0 HE2 HIS A 3 3.964 -11.257 18.103 1.00 30.50 H new ATOM 45 N HIS A 4 9.358 -6.800 15.791 1.00 2.23 N ATOM 46 CA HIS A 4 10.472 -5.988 15.276 1.00 14.15 C ATOM 47 C HIS A 4 10.978 -6.459 13.899 1.00 53.10 C ATOM 48 O HIS A 4 12.067 -6.075 13.467 1.00 21.41 O ATOM 49 CB HIS A 4 11.620 -5.988 16.292 1.00 22.34 C ATOM 50 CG HIS A 4 11.188 -5.559 17.659 1.00 4.14 C ATOM 51 ND1 HIS A 4 10.401 -4.452 17.889 1.00 31.31 N ATOM 52 CD2 HIS A 4 11.406 -6.116 18.872 1.00 51.24 C ATOM 53 CE1 HIS A 4 10.157 -4.345 19.179 1.00 43.43 C ATOM 54 NE2 HIS A 4 10.753 -5.343 19.795 1.00 10.04 N ATOM 0 H HIS A 4 9.629 -7.484 16.497 1.00 2.23 H new ATOM 0 HA HIS A 4 10.094 -4.975 15.135 1.00 14.15 H new ATOM 0 HB2 HIS A 4 12.048 -6.989 16.349 1.00 22.34 H new ATOM 0 HB3 HIS A 4 12.409 -5.323 15.941 1.00 22.34 H new ATOM 0 HD2 HIS A 4 11.986 -7.004 19.075 1.00 51.24 H new ATOM 0 HE1 HIS A 4 9.569 -3.571 19.650 1.00 43.43 H new ATOM 0 HE2 HIS A 4 10.732 -5.514 20.800 1.00 10.04 H new ATOM 63 N HIS A 5 10.190 -7.275 13.204 1.00 0.23 N ATOM 64 CA HIS A 5 10.537 -7.700 11.844 1.00 23.50 C ATOM 65 C HIS A 5 10.169 -6.600 10.834 1.00 33.41 C ATOM 66 O HIS A 5 9.064 -6.581 10.292 1.00 63.14 O ATOM 67 CB HIS A 5 9.831 -9.021 11.496 1.00 52.23 C ATOM 68 CG HIS A 5 10.263 -9.621 10.189 1.00 24.33 C ATOM 69 ND1 HIS A 5 11.381 -10.414 10.062 1.00 63.24 N ATOM 70 CD2 HIS A 5 9.718 -9.551 8.950 1.00 40.21 C ATOM 71 CE1 HIS A 5 11.507 -10.803 8.812 1.00 73.14 C ATOM 72 NE2 HIS A 5 10.512 -10.297 8.116 1.00 13.11 N ATOM 0 H HIS A 5 9.311 -7.655 13.555 1.00 0.23 H new ATOM 0 HA HIS A 5 11.613 -7.868 11.793 1.00 23.50 H new ATOM 0 HB2 HIS A 5 10.017 -9.741 12.293 1.00 52.23 H new ATOM 0 HB3 HIS A 5 8.755 -8.849 11.467 1.00 52.23 H new ATOM 0 HD2 HIS A 5 8.826 -9.010 8.671 1.00 40.21 H new ATOM 0 HE1 HIS A 5 12.294 -11.432 8.423 1.00 73.14 H new ATOM 0 HE2 HIS A 5 10.356 -10.437 7.118 1.00 13.11 H new ATOM 81 N HIS A 6 11.102 -5.681 10.596 1.00 51.04 N ATOM 82 CA HIS A 6 10.847 -4.506 9.747 1.00 52.23 C ATOM 83 C HIS A 6 11.806 -4.445 8.549 1.00 75.40 C ATOM 84 O HIS A 6 12.862 -5.080 8.547 1.00 55.43 O ATOM 85 CB HIS A 6 10.974 -3.218 10.576 1.00 3.53 C ATOM 86 CG HIS A 6 12.338 -3.016 11.166 1.00 12.11 C ATOM 87 ND1 HIS A 6 13.382 -2.439 10.473 1.00 12.22 N ATOM 88 CD2 HIS A 6 12.836 -3.330 12.388 1.00 31.25 C ATOM 89 CE1 HIS A 6 14.455 -2.410 11.235 1.00 14.13 C ATOM 90 NE2 HIS A 6 14.152 -2.942 12.399 1.00 62.31 N ATOM 0 H HIS A 6 12.047 -5.722 10.978 1.00 51.04 H new ATOM 0 HA HIS A 6 9.832 -4.598 9.360 1.00 52.23 H new ATOM 0 HB2 HIS A 6 10.730 -2.364 9.944 1.00 3.53 H new ATOM 0 HB3 HIS A 6 10.239 -3.240 11.380 1.00 3.53 H new ATOM 0 HD2 HIS A 6 12.298 -3.797 13.199 1.00 31.25 H new ATOM 0 HE1 HIS A 6 15.420 -2.016 10.952 1.00 14.13 H new ATOM 0 HE2 HIS A 6 14.793 -3.049 13.185 1.00 62.31 H new ATOM 99 N HIS A 7 11.437 -3.659 7.543 1.00 4.21 N ATOM 100 CA HIS A 7 12.271 -3.476 6.346 1.00 62.14 C ATOM 101 C HIS A 7 12.070 -2.077 5.732 1.00 32.31 C ATOM 102 O HIS A 7 11.036 -1.438 5.939 1.00 22.00 O ATOM 103 CB HIS A 7 11.954 -4.563 5.309 1.00 1.01 C ATOM 104 CG HIS A 7 10.532 -4.556 4.835 1.00 64.12 C ATOM 105 ND1 HIS A 7 9.562 -5.382 5.354 1.00 74.03 N ATOM 106 CD2 HIS A 7 9.914 -3.812 3.888 1.00 51.41 C ATOM 107 CE1 HIS A 7 8.417 -5.149 4.750 1.00 42.11 C ATOM 108 NE2 HIS A 7 8.600 -4.198 3.858 1.00 14.13 N ATOM 0 H HIS A 7 10.563 -3.134 7.527 1.00 4.21 H new ATOM 0 HA HIS A 7 13.315 -3.563 6.646 1.00 62.14 H new ATOM 0 HB2 HIS A 7 12.613 -4.435 4.450 1.00 1.01 H new ATOM 0 HB3 HIS A 7 12.178 -5.539 5.740 1.00 1.01 H new ATOM 0 HD1 HIS A 7 9.708 -6.069 6.093 1.00 74.03 H new ATOM 0 HD2 HIS A 7 10.372 -3.054 3.270 1.00 51.41 H new ATOM 0 HE1 HIS A 7 7.483 -5.653 4.952 1.00 42.11 H new ATOM 117 N HIS A 8 13.059 -1.611 4.971 1.00 42.02 N ATOM 118 CA HIS A 8 12.976 -0.304 4.301 1.00 62.32 C ATOM 119 C HIS A 8 13.719 -0.322 2.953 1.00 64.41 C ATOM 120 O HIS A 8 14.949 -0.381 2.902 1.00 13.02 O ATOM 121 CB HIS A 8 13.515 0.816 5.213 1.00 41.11 C ATOM 122 CG HIS A 8 14.900 0.581 5.739 1.00 55.32 C ATOM 123 ND1 HIS A 8 16.034 1.068 5.130 1.00 2.12 N ATOM 124 CD2 HIS A 8 15.330 -0.085 6.836 1.00 44.31 C ATOM 125 CE1 HIS A 8 17.095 0.715 5.822 1.00 73.33 C ATOM 126 NE2 HIS A 8 16.697 0.014 6.862 1.00 51.01 N ATOM 0 H HIS A 8 13.929 -2.115 4.800 1.00 42.02 H new ATOM 0 HA HIS A 8 11.925 -0.099 4.098 1.00 62.32 H new ATOM 0 HB2 HIS A 8 13.506 1.754 4.658 1.00 41.11 H new ATOM 0 HB3 HIS A 8 12.836 0.938 6.057 1.00 41.11 H new ATOM 0 HD2 HIS A 8 14.711 -0.599 7.557 1.00 44.31 H new ATOM 0 HE1 HIS A 8 18.118 0.959 5.578 1.00 73.33 H new ATOM 0 HE2 HIS A 8 17.307 -0.390 7.573 1.00 51.01 H new ATOM 135 N SER A 9 12.953 -0.283 1.864 1.00 11.33 N ATOM 136 CA SER A 9 13.505 -0.362 0.501 1.00 21.12 C ATOM 137 C SER A 9 13.124 0.871 -0.336 1.00 11.50 C ATOM 138 O SER A 9 12.562 1.839 0.183 1.00 34.04 O ATOM 139 CB SER A 9 12.981 -1.628 -0.191 1.00 54.44 C ATOM 140 OG SER A 9 11.564 -1.605 -0.288 1.00 32.41 O ATOM 0 H SER A 9 11.937 -0.196 1.894 1.00 11.33 H new ATOM 0 HA SER A 9 14.592 -0.396 0.579 1.00 21.12 H new ATOM 0 HB2 SER A 9 13.416 -1.709 -1.187 1.00 54.44 H new ATOM 0 HB3 SER A 9 13.297 -2.509 0.367 1.00 54.44 H new ATOM 0 HG SER A 9 11.253 -2.421 -0.734 1.00 32.41 H new ATOM 146 N HIS A 10 13.416 0.826 -1.640 1.00 3.20 N ATOM 147 CA HIS A 10 13.082 1.927 -2.560 1.00 4.24 C ATOM 148 C HIS A 10 11.582 1.945 -2.920 1.00 22.41 C ATOM 149 O HIS A 10 11.212 2.156 -4.074 1.00 71.21 O ATOM 150 CB HIS A 10 13.911 1.811 -3.848 1.00 25.43 C ATOM 151 CG HIS A 10 15.396 1.859 -3.636 1.00 71.44 C ATOM 152 ND1 HIS A 10 16.209 0.755 -3.764 1.00 52.21 N ATOM 153 CD2 HIS A 10 16.218 2.893 -3.333 1.00 60.10 C ATOM 154 CE1 HIS A 10 17.462 1.100 -3.549 1.00 31.14 C ATOM 155 NE2 HIS A 10 17.496 2.389 -3.287 1.00 4.22 N ATOM 0 H HIS A 10 13.884 0.038 -2.087 1.00 3.20 H new ATOM 0 HA HIS A 10 13.319 2.859 -2.046 1.00 4.24 H new ATOM 0 HB2 HIS A 10 13.657 0.875 -4.346 1.00 25.43 H new ATOM 0 HB3 HIS A 10 13.626 2.618 -4.523 1.00 25.43 H new ATOM 0 HD2 HIS A 10 15.925 3.918 -3.160 1.00 60.10 H new ATOM 0 HE1 HIS A 10 18.315 0.438 -3.582 1.00 31.14 H new ATOM 0 HE2 HIS A 10 18.337 2.929 -3.082 1.00 4.22 H new ATOM 164 N MET A 11 10.722 1.758 -1.925 1.00 31.14 N ATOM 165 CA MET A 11 9.272 1.788 -2.144 1.00 42.14 C ATOM 166 C MET A 11 8.755 3.235 -2.277 1.00 4.32 C ATOM 167 O MET A 11 7.657 3.472 -2.792 1.00 33.22 O ATOM 168 CB MET A 11 8.552 1.052 -1.004 1.00 50.12 C ATOM 169 CG MET A 11 8.825 1.625 0.381 1.00 73.03 C ATOM 170 SD MET A 11 8.180 0.569 1.695 1.00 52.13 S ATOM 171 CE MET A 11 8.596 1.526 3.152 1.00 72.31 C ATOM 0 H MET A 11 10.998 1.584 -0.959 1.00 31.14 H new ATOM 0 HA MET A 11 9.057 1.277 -3.082 1.00 42.14 H new ATOM 0 HB2 MET A 11 7.478 1.079 -1.191 1.00 50.12 H new ATOM 0 HB3 MET A 11 8.852 0.004 -1.017 1.00 50.12 H new ATOM 0 HG2 MET A 11 9.899 1.753 0.514 1.00 73.03 H new ATOM 0 HG3 MET A 11 8.374 2.614 0.458 1.00 73.03 H new ATOM 0 HE1 MET A 11 8.258 0.997 4.043 1.00 72.31 H new ATOM 0 HE2 MET A 11 9.676 1.665 3.200 1.00 72.31 H new ATOM 0 HE3 MET A 11 8.107 2.499 3.100 1.00 72.31 H new ATOM 181 N LEU A 12 9.559 4.200 -1.821 1.00 44.03 N ATOM 182 CA LEU A 12 9.205 5.620 -1.936 1.00 53.14 C ATOM 183 C LEU A 12 9.137 6.065 -3.418 1.00 12.33 C ATOM 184 O LEU A 12 8.131 6.633 -3.842 1.00 1.20 O ATOM 185 CB LEU A 12 10.190 6.491 -1.133 1.00 20.33 C ATOM 186 CG LEU A 12 9.892 8.001 -1.133 1.00 4.12 C ATOM 187 CD1 LEU A 12 8.508 8.284 -0.546 1.00 40.31 C ATOM 188 CD2 LEU A 12 10.975 8.762 -0.368 1.00 22.50 C ATOM 0 H LEU A 12 10.457 4.026 -1.370 1.00 44.03 H new ATOM 0 HA LEU A 12 8.210 5.756 -1.511 1.00 53.14 H new ATOM 0 HB2 LEU A 12 10.200 6.140 -0.101 1.00 20.33 H new ATOM 0 HB3 LEU A 12 11.193 6.336 -1.532 1.00 20.33 H new ATOM 0 HG LEU A 12 9.895 8.349 -2.166 1.00 4.12 H new ATOM 0 HD11 LEU A 12 8.321 9.358 -0.557 1.00 40.31 H new ATOM 0 HD12 LEU A 12 7.749 7.777 -1.142 1.00 40.31 H new ATOM 0 HD13 LEU A 12 8.466 7.919 0.480 1.00 40.31 H new ATOM 0 HD21 LEU A 12 10.747 9.828 -0.379 1.00 22.50 H new ATOM 0 HD22 LEU A 12 11.009 8.409 0.663 1.00 22.50 H new ATOM 0 HD23 LEU A 12 11.942 8.593 -0.842 1.00 22.50 H new ATOM 200 N PRO A 13 10.184 5.812 -4.243 1.00 21.45 N ATOM 201 CA PRO A 13 10.110 6.053 -5.700 1.00 43.05 C ATOM 202 C PRO A 13 9.187 5.038 -6.421 1.00 31.32 C ATOM 203 O PRO A 13 8.667 4.103 -5.800 1.00 23.13 O ATOM 204 CB PRO A 13 11.568 5.895 -6.155 1.00 24.43 C ATOM 205 CG PRO A 13 12.179 4.978 -5.155 1.00 30.30 C ATOM 206 CD PRO A 13 11.520 5.311 -3.843 1.00 31.55 C ATOM 0 HA PRO A 13 9.682 7.027 -5.937 1.00 43.05 H new ATOM 0 HB2 PRO A 13 11.626 5.479 -7.161 1.00 24.43 H new ATOM 0 HB3 PRO A 13 12.082 6.856 -6.177 1.00 24.43 H new ATOM 0 HG2 PRO A 13 12.010 3.936 -5.425 1.00 30.30 H new ATOM 0 HG3 PRO A 13 13.258 5.122 -5.099 1.00 30.30 H new ATOM 0 HD2 PRO A 13 11.444 4.435 -3.199 1.00 31.55 H new ATOM 0 HD3 PRO A 13 12.082 6.064 -3.291 1.00 31.55 H new ATOM 214 N PRO A 14 8.929 5.220 -7.735 1.00 14.22 N ATOM 215 CA PRO A 14 8.109 4.290 -8.514 1.00 30.24 C ATOM 216 C PRO A 14 8.921 3.160 -9.186 1.00 53.11 C ATOM 217 O PRO A 14 9.373 3.294 -10.325 1.00 41.41 O ATOM 218 CB PRO A 14 7.458 5.206 -9.575 1.00 14.10 C ATOM 219 CG PRO A 14 8.203 6.517 -9.523 1.00 44.10 C ATOM 220 CD PRO A 14 9.360 6.345 -8.570 1.00 44.20 C ATOM 0 HA PRO A 14 7.397 3.758 -7.883 1.00 30.24 H new ATOM 0 HB2 PRO A 14 7.526 4.760 -10.567 1.00 14.10 H new ATOM 0 HB3 PRO A 14 6.399 5.353 -9.364 1.00 14.10 H new ATOM 0 HG2 PRO A 14 8.561 6.794 -10.515 1.00 44.10 H new ATOM 0 HG3 PRO A 14 7.545 7.318 -9.187 1.00 44.10 H new ATOM 0 HD2 PRO A 14 10.289 6.125 -9.097 1.00 44.20 H new ATOM 0 HD3 PRO A 14 9.534 7.244 -7.979 1.00 44.20 H new ATOM 228 N GLU A 15 9.125 2.053 -8.467 1.00 54.25 N ATOM 229 CA GLU A 15 9.756 0.854 -9.045 1.00 10.43 C ATOM 230 C GLU A 15 8.800 -0.358 -8.977 1.00 12.32 C ATOM 231 O GLU A 15 7.581 -0.193 -9.057 1.00 24.43 O ATOM 232 CB GLU A 15 11.093 0.541 -8.344 1.00 43.43 C ATOM 233 CG GLU A 15 10.993 0.270 -6.841 1.00 64.21 C ATOM 234 CD GLU A 15 12.269 -0.343 -6.263 1.00 1.31 C ATOM 235 OE1 GLU A 15 13.355 -0.158 -6.858 1.00 13.43 O ATOM 236 OE2 GLU A 15 12.193 -1.027 -5.220 1.00 23.12 O ATOM 0 H GLU A 15 8.865 1.958 -7.485 1.00 54.25 H new ATOM 0 HA GLU A 15 9.968 1.058 -10.095 1.00 10.43 H new ATOM 0 HB2 GLU A 15 11.542 -0.328 -8.825 1.00 43.43 H new ATOM 0 HB3 GLU A 15 11.772 1.379 -8.502 1.00 43.43 H new ATOM 0 HG2 GLU A 15 10.776 1.204 -6.322 1.00 64.21 H new ATOM 0 HG3 GLU A 15 10.155 -0.401 -6.652 1.00 64.21 H new ATOM 243 N GLN A 16 9.352 -1.571 -8.863 1.00 54.55 N ATOM 244 CA GLN A 16 8.541 -2.796 -8.788 1.00 63.31 C ATOM 245 C GLN A 16 7.517 -2.753 -7.640 1.00 62.22 C ATOM 246 O GLN A 16 7.882 -2.746 -6.463 1.00 53.33 O ATOM 247 CB GLN A 16 9.449 -4.024 -8.623 1.00 64.14 C ATOM 248 CG GLN A 16 8.689 -5.344 -8.488 1.00 22.30 C ATOM 249 CD GLN A 16 9.609 -6.548 -8.351 1.00 34.22 C ATOM 250 OE1 GLN A 16 10.720 -6.444 -7.844 1.00 63.32 O ATOM 251 NE2 GLN A 16 9.156 -7.699 -8.799 1.00 3.32 N ATOM 0 H GLN A 16 10.358 -1.733 -8.820 1.00 54.55 H new ATOM 0 HA GLN A 16 7.985 -2.867 -9.723 1.00 63.31 H new ATOM 0 HB2 GLN A 16 10.117 -4.087 -9.482 1.00 64.14 H new ATOM 0 HB3 GLN A 16 10.075 -3.885 -7.742 1.00 64.14 H new ATOM 0 HG2 GLN A 16 8.035 -5.293 -7.618 1.00 22.30 H new ATOM 0 HG3 GLN A 16 8.050 -5.480 -9.360 1.00 22.30 H new ATOM 0 HE21 GLN A 16 8.227 -7.754 -9.216 1.00 3.32 H new ATOM 0 HE22 GLN A 16 9.734 -8.537 -8.729 1.00 3.32 H new ATOM 260 N TRP A 17 6.234 -2.720 -7.999 1.00 14.15 N ATOM 261 CA TRP A 17 5.148 -2.810 -7.016 1.00 2.12 C ATOM 262 C TRP A 17 4.231 -4.006 -7.313 1.00 54.12 C ATOM 263 O TRP A 17 3.514 -4.029 -8.314 1.00 74.43 O ATOM 264 CB TRP A 17 4.344 -1.498 -6.972 1.00 2.25 C ATOM 265 CG TRP A 17 4.963 -0.459 -6.077 1.00 22.12 C ATOM 266 CD1 TRP A 17 5.988 0.391 -6.382 1.00 32.02 C ATOM 267 CD2 TRP A 17 4.598 -0.176 -4.722 1.00 51.43 C ATOM 268 NE1 TRP A 17 6.282 1.184 -5.297 1.00 64.35 N ATOM 269 CE2 TRP A 17 5.441 0.854 -4.266 1.00 50.33 C ATOM 270 CE3 TRP A 17 3.638 -0.697 -3.850 1.00 0.51 C ATOM 271 CZ2 TRP A 17 5.348 1.375 -2.978 1.00 34.23 C ATOM 272 CZ3 TRP A 17 3.549 -0.182 -2.572 1.00 2.42 C ATOM 273 CH2 TRP A 17 4.400 0.843 -2.146 1.00 34.33 C ATOM 0 H TRP A 17 5.918 -2.631 -8.965 1.00 14.15 H new ATOM 0 HA TRP A 17 5.594 -2.969 -6.034 1.00 2.12 H new ATOM 0 HB2 TRP A 17 4.259 -1.096 -7.982 1.00 2.25 H new ATOM 0 HB3 TRP A 17 3.332 -1.710 -6.628 1.00 2.25 H new ATOM 0 HD1 TRP A 17 6.494 0.434 -7.335 1.00 32.02 H new ATOM 0 HE1 TRP A 17 7.007 1.900 -5.265 1.00 64.35 H new ATOM 0 HE3 TRP A 17 2.977 -1.489 -4.170 1.00 0.51 H new ATOM 0 HZ2 TRP A 17 6.000 2.170 -2.647 1.00 34.23 H new ATOM 0 HZ3 TRP A 17 2.810 -0.577 -1.890 1.00 2.42 H new ATOM 0 HH2 TRP A 17 4.307 1.223 -1.139 1.00 34.33 H new ATOM 284 N SER A 18 4.263 -4.998 -6.427 1.00 44.41 N ATOM 285 CA SER A 18 3.490 -6.233 -6.606 1.00 51.32 C ATOM 286 C SER A 18 2.842 -6.678 -5.289 1.00 12.13 C ATOM 287 O SER A 18 2.979 -6.009 -4.266 1.00 34.41 O ATOM 288 CB SER A 18 4.395 -7.351 -7.146 1.00 2.43 C ATOM 289 OG SER A 18 4.971 -6.997 -8.397 1.00 23.44 O ATOM 0 H SER A 18 4.818 -4.974 -5.572 1.00 44.41 H new ATOM 0 HA SER A 18 2.697 -6.031 -7.326 1.00 51.32 H new ATOM 0 HB2 SER A 18 5.186 -7.560 -6.426 1.00 2.43 H new ATOM 0 HB3 SER A 18 3.816 -8.268 -7.257 1.00 2.43 H new ATOM 0 HG SER A 18 5.542 -7.728 -8.713 1.00 23.44 H new ATOM 295 N HIS A 19 2.159 -7.824 -5.326 1.00 21.14 N ATOM 296 CA HIS A 19 1.405 -8.360 -4.177 1.00 20.54 C ATOM 297 C HIS A 19 2.124 -8.178 -2.823 1.00 64.13 C ATOM 298 O HIS A 19 1.503 -7.786 -1.834 1.00 73.52 O ATOM 299 CB HIS A 19 1.101 -9.848 -4.406 1.00 24.25 C ATOM 300 CG HIS A 19 2.317 -10.687 -4.684 1.00 54.31 C ATOM 301 ND1 HIS A 19 3.058 -11.298 -3.694 1.00 33.04 N ATOM 302 CD2 HIS A 19 2.919 -11.018 -5.852 1.00 21.04 C ATOM 303 CE1 HIS A 19 4.058 -11.964 -4.242 1.00 2.51 C ATOM 304 NE2 HIS A 19 3.996 -11.811 -5.546 1.00 2.22 N ATOM 0 H HIS A 19 2.109 -8.414 -6.156 1.00 21.14 H new ATOM 0 HA HIS A 19 0.482 -7.783 -4.117 1.00 20.54 H new ATOM 0 HB2 HIS A 19 0.593 -10.244 -3.526 1.00 24.25 H new ATOM 0 HB3 HIS A 19 0.409 -9.942 -5.243 1.00 24.25 H new ATOM 0 HD2 HIS A 19 2.609 -10.714 -6.841 1.00 21.04 H new ATOM 0 HE1 HIS A 19 4.801 -12.538 -3.709 1.00 2.51 H new ATOM 0 HE2 HIS A 19 4.644 -12.216 -6.221 1.00 2.22 H new ATOM 313 N THR A 20 3.426 -8.455 -2.781 1.00 64.45 N ATOM 314 CA THR A 20 4.191 -8.367 -1.530 1.00 71.41 C ATOM 315 C THR A 20 4.408 -6.911 -1.092 1.00 34.25 C ATOM 316 O THR A 20 4.065 -6.538 0.030 1.00 61.34 O ATOM 317 CB THR A 20 5.563 -9.071 -1.654 1.00 64.10 C ATOM 318 OG1 THR A 20 5.376 -10.420 -2.104 1.00 73.34 O ATOM 319 CG2 THR A 20 6.302 -9.082 -0.318 1.00 11.35 C ATOM 0 H THR A 20 3.975 -8.741 -3.592 1.00 64.45 H new ATOM 0 HA THR A 20 3.596 -8.875 -0.771 1.00 71.41 H new ATOM 0 HB THR A 20 6.163 -8.517 -2.376 1.00 64.10 H new ATOM 0 HG1 THR A 20 6.247 -10.862 -2.183 1.00 73.34 H new ATOM 0 HG21 THR A 20 7.262 -9.583 -0.438 1.00 11.35 H new ATOM 0 HG22 THR A 20 6.467 -8.057 0.015 1.00 11.35 H new ATOM 0 HG23 THR A 20 5.705 -9.613 0.424 1.00 11.35 H new ATOM 327 N THR A 21 4.965 -6.086 -1.982 1.00 75.22 N ATOM 328 CA THR A 21 5.256 -4.677 -1.653 1.00 23.44 C ATOM 329 C THR A 21 3.976 -3.902 -1.306 1.00 11.11 C ATOM 330 O THR A 21 3.964 -3.082 -0.387 1.00 63.32 O ATOM 331 CB THR A 21 5.983 -3.945 -2.807 1.00 63.12 C ATOM 332 OG1 THR A 21 5.145 -3.887 -3.970 1.00 30.35 O ATOM 333 CG2 THR A 21 7.295 -4.641 -3.156 1.00 11.21 C ATOM 0 H THR A 21 5.224 -6.360 -2.930 1.00 75.22 H new ATOM 0 HA THR A 21 5.913 -4.704 -0.783 1.00 23.44 H new ATOM 0 HB THR A 21 6.204 -2.932 -2.472 1.00 63.12 H new ATOM 0 HG1 THR A 21 4.677 -3.026 -3.993 1.00 30.35 H new ATOM 0 HG21 THR A 21 7.785 -4.106 -3.970 1.00 11.21 H new ATOM 0 HG22 THR A 21 7.946 -4.649 -2.282 1.00 11.21 H new ATOM 0 HG23 THR A 21 7.092 -5.666 -3.466 1.00 11.21 H new ATOM 341 N VAL A 22 2.903 -4.168 -2.051 1.00 70.23 N ATOM 342 CA VAL A 22 1.582 -3.594 -1.757 1.00 41.45 C ATOM 343 C VAL A 22 1.149 -3.915 -0.317 1.00 13.13 C ATOM 344 O VAL A 22 0.755 -3.028 0.445 1.00 1.45 O ATOM 345 CB VAL A 22 0.511 -4.119 -2.755 1.00 74.32 C ATOM 346 CG1 VAL A 22 -0.901 -3.716 -2.319 1.00 44.14 C ATOM 347 CG2 VAL A 22 0.805 -3.617 -4.172 1.00 52.11 C ATOM 0 H VAL A 22 2.919 -4.780 -2.867 1.00 70.23 H new ATOM 0 HA VAL A 22 1.665 -2.513 -1.866 1.00 41.45 H new ATOM 0 HB VAL A 22 0.559 -5.208 -2.757 1.00 74.32 H new ATOM 0 HG11 VAL A 22 -1.626 -4.098 -3.037 1.00 44.14 H new ATOM 0 HG12 VAL A 22 -1.111 -4.134 -1.334 1.00 44.14 H new ATOM 0 HG13 VAL A 22 -0.972 -2.629 -2.275 1.00 44.14 H new ATOM 0 HG21 VAL A 22 0.045 -3.994 -4.857 1.00 52.11 H new ATOM 0 HG22 VAL A 22 0.793 -2.527 -4.182 1.00 52.11 H new ATOM 0 HG23 VAL A 22 1.786 -3.972 -4.487 1.00 52.11 H new ATOM 357 N ARG A 23 1.250 -5.189 0.050 1.00 50.04 N ATOM 358 CA ARG A 23 0.900 -5.642 1.401 1.00 41.21 C ATOM 359 C ARG A 23 1.850 -5.037 2.452 1.00 64.21 C ATOM 360 O ARG A 23 1.446 -4.735 3.578 1.00 61.30 O ATOM 361 CB ARG A 23 0.950 -7.174 1.453 1.00 63.52 C ATOM 362 CG ARG A 23 0.349 -7.778 2.717 1.00 34.32 C ATOM 363 CD ARG A 23 0.438 -9.300 2.703 1.00 52.33 C ATOM 364 NE ARG A 23 -0.249 -9.907 3.838 1.00 61.23 N ATOM 365 CZ ARG A 23 0.305 -10.148 4.991 1.00 4.11 C ATOM 366 NH1 ARG A 23 1.516 -9.756 5.236 1.00 71.03 N ATOM 367 NH2 ARG A 23 -0.365 -10.767 5.904 1.00 40.43 N ATOM 0 H ARG A 23 1.573 -5.932 -0.569 1.00 50.04 H new ATOM 0 HA ARG A 23 -0.110 -5.304 1.634 1.00 41.21 H new ATOM 0 HB2 ARG A 23 0.422 -7.573 0.587 1.00 63.52 H new ATOM 0 HB3 ARG A 23 1.988 -7.495 1.369 1.00 63.52 H new ATOM 0 HG2 ARG A 23 0.871 -7.390 3.591 1.00 34.32 H new ATOM 0 HG3 ARG A 23 -0.694 -7.474 2.807 1.00 34.32 H new ATOM 0 HD2 ARG A 23 0.007 -9.678 1.776 1.00 52.33 H new ATOM 0 HD3 ARG A 23 1.486 -9.600 2.713 1.00 52.33 H new ATOM 0 HE ARG A 23 -1.230 -10.160 3.720 1.00 61.23 H new ATOM 0 HH11 ARG A 23 2.044 -9.254 4.522 1.00 71.03 H new ATOM 0 HH12 ARG A 23 1.941 -9.950 6.143 1.00 71.03 H new ATOM 0 HH21 ARG A 23 -1.323 -11.064 5.720 1.00 40.43 H new ATOM 0 HH22 ARG A 23 0.064 -10.959 6.809 1.00 40.43 H new ATOM 381 N ASN A 24 3.114 -4.858 2.068 1.00 11.44 N ATOM 382 CA ASN A 24 4.115 -4.238 2.945 1.00 23.33 C ATOM 383 C ASN A 24 3.813 -2.753 3.199 1.00 0.22 C ATOM 384 O ASN A 24 4.186 -2.205 4.234 1.00 2.51 O ATOM 385 CB ASN A 24 5.519 -4.399 2.357 1.00 2.32 C ATOM 386 CG ASN A 24 5.996 -5.839 2.396 1.00 13.31 C ATOM 387 OD1 ASN A 24 5.584 -6.622 3.247 1.00 15.11 O ATOM 388 ND2 ASN A 24 6.885 -6.194 1.495 1.00 15.20 N ATOM 0 H ASN A 24 3.472 -5.133 1.154 1.00 11.44 H new ATOM 0 HA ASN A 24 4.069 -4.754 3.904 1.00 23.33 H new ATOM 0 HB2 ASN A 24 5.522 -4.045 1.326 1.00 2.32 H new ATOM 0 HB3 ASN A 24 6.217 -3.772 2.911 1.00 2.32 H new ATOM 0 HD21 ASN A 24 7.254 -7.145 1.489 1.00 15.20 H new ATOM 0 HD22 ASN A 24 7.206 -5.518 0.802 1.00 15.20 H new ATOM 395 N ALA A 25 3.149 -2.100 2.253 1.00 33.43 N ATOM 396 CA ALA A 25 2.691 -0.725 2.464 1.00 71.23 C ATOM 397 C ALA A 25 1.553 -0.686 3.499 1.00 20.41 C ATOM 398 O ALA A 25 1.483 0.211 4.344 1.00 42.52 O ATOM 399 CB ALA A 25 2.237 -0.112 1.142 1.00 43.55 C ATOM 0 H ALA A 25 2.916 -2.492 1.341 1.00 33.43 H new ATOM 0 HA ALA A 25 3.523 -0.137 2.852 1.00 71.23 H new ATOM 0 HB1 ALA A 25 1.899 0.910 1.312 1.00 43.55 H new ATOM 0 HB2 ALA A 25 3.070 -0.106 0.439 1.00 43.55 H new ATOM 0 HB3 ALA A 25 1.418 -0.701 0.730 1.00 43.55 H new ATOM 405 N LEU A 26 0.676 -1.687 3.438 1.00 65.42 N ATOM 406 CA LEU A 26 -0.484 -1.772 4.334 1.00 70.13 C ATOM 407 C LEU A 26 -0.072 -1.896 5.811 1.00 31.21 C ATOM 408 O LEU A 26 -0.651 -1.240 6.680 1.00 11.43 O ATOM 409 CB LEU A 26 -1.375 -2.958 3.934 1.00 21.23 C ATOM 410 CG LEU A 26 -1.909 -2.921 2.493 1.00 73.40 C ATOM 411 CD1 LEU A 26 -2.770 -4.148 2.201 1.00 0.35 C ATOM 412 CD2 LEU A 26 -2.694 -1.636 2.237 1.00 11.23 C ATOM 0 H LEU A 26 0.745 -2.458 2.773 1.00 65.42 H new ATOM 0 HA LEU A 26 -1.043 -0.842 4.229 1.00 70.13 H new ATOM 0 HB2 LEU A 26 -0.809 -3.879 4.071 1.00 21.23 H new ATOM 0 HB3 LEU A 26 -2.223 -3.001 4.617 1.00 21.23 H new ATOM 0 HG LEU A 26 -1.055 -2.937 1.816 1.00 73.40 H new ATOM 0 HD11 LEU A 26 -3.137 -4.100 1.176 1.00 0.35 H new ATOM 0 HD12 LEU A 26 -2.173 -5.051 2.331 1.00 0.35 H new ATOM 0 HD13 LEU A 26 -3.616 -4.171 2.888 1.00 0.35 H new ATOM 0 HD21 LEU A 26 -3.062 -1.633 1.211 1.00 11.23 H new ATOM 0 HD22 LEU A 26 -3.538 -1.582 2.925 1.00 11.23 H new ATOM 0 HD23 LEU A 26 -2.043 -0.775 2.392 1.00 11.23 H new ATOM 424 N LYS A 27 0.937 -2.723 6.098 1.00 3.45 N ATOM 425 CA LYS A 27 1.389 -2.931 7.486 1.00 25.43 C ATOM 426 C LYS A 27 2.017 -1.661 8.099 1.00 32.02 C ATOM 427 O LYS A 27 2.377 -1.650 9.278 1.00 4.10 O ATOM 428 CB LYS A 27 2.361 -4.131 7.582 1.00 70.40 C ATOM 429 CG LYS A 27 3.601 -4.066 6.678 1.00 10.31 C ATOM 430 CD LYS A 27 4.670 -3.068 7.148 1.00 14.24 C ATOM 431 CE LYS A 27 5.356 -3.490 8.451 1.00 23.24 C ATOM 432 NZ LYS A 27 4.453 -3.419 9.633 1.00 44.52 N ATOM 0 H LYS A 27 1.455 -3.257 5.400 1.00 3.45 H new ATOM 0 HA LYS A 27 0.500 -3.161 8.074 1.00 25.43 H new ATOM 0 HB2 LYS A 27 2.694 -4.222 8.616 1.00 70.40 H new ATOM 0 HB3 LYS A 27 1.809 -5.040 7.344 1.00 70.40 H new ATOM 0 HG2 LYS A 27 4.047 -5.059 6.620 1.00 10.31 H new ATOM 0 HG3 LYS A 27 3.288 -3.798 5.669 1.00 10.31 H new ATOM 0 HD2 LYS A 27 5.423 -2.957 6.368 1.00 14.24 H new ATOM 0 HD3 LYS A 27 4.209 -2.090 7.287 1.00 14.24 H new ATOM 0 HE2 LYS A 27 5.728 -4.509 8.346 1.00 23.24 H new ATOM 0 HE3 LYS A 27 6.222 -2.851 8.623 1.00 23.24 H new ATOM 0 HZ1 LYS A 27 5.012 -3.210 10.485 1.00 44.52 H new ATOM 0 HZ2 LYS A 27 3.749 -2.667 9.487 1.00 44.52 H new ATOM 0 HZ3 LYS A 27 3.967 -4.330 9.753 1.00 44.52 H new ATOM 446 N ASP A 28 2.182 -0.615 7.289 1.00 24.55 N ATOM 447 CA ASP A 28 2.639 0.690 7.780 1.00 40.02 C ATOM 448 C ASP A 28 1.454 1.666 7.881 1.00 44.41 C ATOM 449 O ASP A 28 1.208 2.261 8.930 1.00 13.22 O ATOM 450 CB ASP A 28 3.717 1.261 6.845 1.00 43.13 C ATOM 451 CG ASP A 28 4.300 2.574 7.353 1.00 23.14 C ATOM 452 OD1 ASP A 28 5.250 2.538 8.165 1.00 23.31 O ATOM 453 OD2 ASP A 28 3.809 3.652 6.948 1.00 52.10 O ATOM 0 H ASP A 28 2.006 -0.644 6.285 1.00 24.55 H new ATOM 0 HA ASP A 28 3.069 0.558 8.773 1.00 40.02 H new ATOM 0 HB2 ASP A 28 4.519 0.531 6.733 1.00 43.13 H new ATOM 0 HB3 ASP A 28 3.288 1.417 5.855 1.00 43.13 H new ATOM 458 N LEU A 29 0.710 1.800 6.785 1.00 14.50 N ATOM 459 CA LEU A 29 -0.430 2.728 6.711 1.00 44.52 C ATOM 460 C LEU A 29 -1.517 2.419 7.761 1.00 33.54 C ATOM 461 O LEU A 29 -2.084 3.332 8.370 1.00 24.54 O ATOM 462 CB LEU A 29 -1.046 2.681 5.304 1.00 62.14 C ATOM 463 CG LEU A 29 -0.098 3.052 4.149 1.00 53.31 C ATOM 464 CD1 LEU A 29 -0.801 2.894 2.801 1.00 65.01 C ATOM 465 CD2 LEU A 29 0.433 4.473 4.319 1.00 74.45 C ATOM 0 H LEU A 29 0.874 1.275 5.926 1.00 14.50 H new ATOM 0 HA LEU A 29 -0.047 3.726 6.925 1.00 44.52 H new ATOM 0 HB2 LEU A 29 -1.428 1.675 5.128 1.00 62.14 H new ATOM 0 HB3 LEU A 29 -1.902 3.356 5.279 1.00 62.14 H new ATOM 0 HG LEU A 29 0.750 2.368 4.173 1.00 53.31 H new ATOM 0 HD11 LEU A 29 -0.113 3.161 1.999 1.00 65.01 H new ATOM 0 HD12 LEU A 29 -1.120 1.859 2.676 1.00 65.01 H new ATOM 0 HD13 LEU A 29 -1.672 3.549 2.766 1.00 65.01 H new ATOM 0 HD21 LEU A 29 1.101 4.713 3.492 1.00 74.45 H new ATOM 0 HD22 LEU A 29 -0.401 5.175 4.328 1.00 74.45 H new ATOM 0 HD23 LEU A 29 0.979 4.547 5.259 1.00 74.45 H new ATOM 477 N LEU A 30 -1.804 1.132 7.969 1.00 74.34 N ATOM 478 CA LEU A 30 -2.854 0.702 8.906 1.00 50.12 C ATOM 479 C LEU A 30 -2.520 1.077 10.364 1.00 72.34 C ATOM 480 O LEU A 30 -3.387 1.052 11.239 1.00 31.11 O ATOM 481 CB LEU A 30 -3.078 -0.813 8.776 1.00 21.11 C ATOM 482 CG LEU A 30 -4.271 -1.379 9.567 1.00 75.12 C ATOM 483 CD1 LEU A 30 -5.578 -0.721 9.129 1.00 51.31 C ATOM 484 CD2 LEU A 30 -4.349 -2.896 9.404 1.00 2.51 C ATOM 0 H LEU A 30 -1.324 0.364 7.501 1.00 74.34 H new ATOM 0 HA LEU A 30 -3.772 1.229 8.644 1.00 50.12 H new ATOM 0 HB2 LEU A 30 -3.218 -1.052 7.722 1.00 21.11 H new ATOM 0 HB3 LEU A 30 -2.173 -1.325 9.102 1.00 21.11 H new ATOM 0 HG LEU A 30 -4.118 -1.153 10.622 1.00 75.12 H new ATOM 0 HD11 LEU A 30 -6.406 -1.138 9.703 1.00 51.31 H new ATOM 0 HD12 LEU A 30 -5.521 0.353 9.303 1.00 51.31 H new ATOM 0 HD13 LEU A 30 -5.742 -0.908 8.068 1.00 51.31 H new ATOM 0 HD21 LEU A 30 -5.198 -3.280 9.970 1.00 2.51 H new ATOM 0 HD22 LEU A 30 -4.474 -3.143 8.350 1.00 2.51 H new ATOM 0 HD23 LEU A 30 -3.430 -3.350 9.776 1.00 2.51 H new ATOM 496 N LYS A 31 -1.260 1.430 10.623 1.00 14.00 N ATOM 497 CA LYS A 31 -0.846 1.884 11.955 1.00 13.12 C ATOM 498 C LYS A 31 -1.462 3.256 12.289 1.00 53.54 C ATOM 499 O LYS A 31 -1.833 3.519 13.432 1.00 62.05 O ATOM 500 CB LYS A 31 0.689 1.956 12.040 1.00 63.32 C ATOM 501 CG LYS A 31 1.223 2.525 13.355 1.00 42.32 C ATOM 502 CD LYS A 31 0.828 1.671 14.559 1.00 13.12 C ATOM 503 CE LYS A 31 1.318 2.280 15.871 1.00 12.33 C ATOM 504 NZ LYS A 31 0.723 3.620 16.133 1.00 62.32 N ATOM 0 H LYS A 31 -0.510 1.411 9.932 1.00 14.00 H new ATOM 0 HA LYS A 31 -1.209 1.162 12.687 1.00 13.12 H new ATOM 0 HB2 LYS A 31 1.096 0.955 11.900 1.00 63.32 H new ATOM 0 HB3 LYS A 31 1.058 2.568 11.217 1.00 63.32 H new ATOM 0 HG2 LYS A 31 2.309 2.596 13.303 1.00 42.32 H new ATOM 0 HG3 LYS A 31 0.844 3.538 13.491 1.00 42.32 H new ATOM 0 HD2 LYS A 31 -0.256 1.566 14.590 1.00 13.12 H new ATOM 0 HD3 LYS A 31 1.243 0.669 14.446 1.00 13.12 H new ATOM 0 HE2 LYS A 31 1.072 1.609 16.694 1.00 12.33 H new ATOM 0 HE3 LYS A 31 2.404 2.367 15.845 1.00 12.33 H new ATOM 0 HZ1 LYS A 31 0.920 3.902 17.114 1.00 62.32 H new ATOM 0 HZ2 LYS A 31 1.138 4.317 15.483 1.00 62.32 H new ATOM 0 HZ3 LYS A 31 -0.306 3.578 15.985 1.00 62.32 H new ATOM 518 N ASP A 32 -1.578 4.120 11.283 1.00 43.24 N ATOM 519 CA ASP A 32 -2.117 5.470 11.482 1.00 3.34 C ATOM 520 C ASP A 32 -3.613 5.550 11.130 1.00 53.34 C ATOM 521 O ASP A 32 -4.396 6.193 11.834 1.00 42.13 O ATOM 522 CB ASP A 32 -1.320 6.472 10.637 1.00 62.33 C ATOM 523 CG ASP A 32 -1.833 7.895 10.784 1.00 4.44 C ATOM 524 OD1 ASP A 32 -1.713 8.463 11.894 1.00 71.51 O ATOM 525 OD2 ASP A 32 -2.351 8.451 9.793 1.00 4.41 O ATOM 0 H ASP A 32 -1.307 3.913 10.322 1.00 43.24 H new ATOM 0 HA ASP A 32 -2.019 5.718 12.539 1.00 3.34 H new ATOM 0 HB2 ASP A 32 -0.271 6.435 10.930 1.00 62.33 H new ATOM 0 HB3 ASP A 32 -1.369 6.178 9.589 1.00 62.33 H new ATOM 530 N MET A 33 -4.009 4.894 10.043 1.00 22.45 N ATOM 531 CA MET A 33 -5.389 4.983 9.549 1.00 2.25 C ATOM 532 C MET A 33 -6.215 3.729 9.883 1.00 55.42 C ATOM 533 O MET A 33 -5.719 2.776 10.486 1.00 71.34 O ATOM 534 CB MET A 33 -5.383 5.218 8.034 1.00 70.42 C ATOM 535 CG MET A 33 -4.661 6.491 7.617 1.00 44.43 C ATOM 536 SD MET A 33 -4.697 6.762 5.834 1.00 64.14 S ATOM 537 CE MET A 33 -3.833 5.309 5.237 1.00 61.25 C ATOM 0 H MET A 33 -3.400 4.295 9.485 1.00 22.45 H new ATOM 0 HA MET A 33 -5.863 5.824 10.055 1.00 2.25 H new ATOM 0 HB2 MET A 33 -4.911 4.366 7.545 1.00 70.42 H new ATOM 0 HB3 MET A 33 -6.412 5.261 7.677 1.00 70.42 H new ATOM 0 HG2 MET A 33 -5.118 7.344 8.119 1.00 44.43 H new ATOM 0 HG3 MET A 33 -3.625 6.442 7.952 1.00 44.43 H new ATOM 0 HE1 MET A 33 -3.125 5.600 4.461 1.00 61.25 H new ATOM 0 HE2 MET A 33 -3.296 4.841 6.062 1.00 61.25 H new ATOM 0 HE3 MET A 33 -4.553 4.602 4.825 1.00 61.25 H new ATOM 547 N ASN A 34 -7.490 3.755 9.502 1.00 62.05 N ATOM 548 CA ASN A 34 -8.393 2.611 9.685 1.00 24.15 C ATOM 549 C ASN A 34 -8.782 1.987 8.336 1.00 21.25 C ATOM 550 O ASN A 34 -8.760 2.658 7.302 1.00 30.41 O ATOM 551 CB ASN A 34 -9.658 3.058 10.432 1.00 63.31 C ATOM 552 CG ASN A 34 -9.381 3.448 11.874 1.00 22.21 C ATOM 553 OD1 ASN A 34 -8.507 2.717 12.539 1.00 71.31 O flip ATOM 554 ND2 ASN A 34 -9.964 4.389 12.400 1.00 21.14 N flip ATOM 0 H ASN A 34 -7.929 4.563 9.060 1.00 62.05 H new ATOM 0 HA ASN A 34 -7.868 1.857 10.271 1.00 24.15 H new ATOM 0 HB2 ASN A 34 -10.103 3.905 9.910 1.00 63.31 H new ATOM 0 HB3 ASN A 34 -10.391 2.251 10.413 1.00 63.31 H new ATOM 0 HD21 ASN A 34 -10.635 4.938 11.863 1.00 21.14 H new ATOM 0 HD22 ASN A 34 -9.778 4.623 13.375 1.00 21.14 H new ATOM 561 N GLN A 35 -9.153 0.706 8.357 1.00 62.45 N ATOM 562 CA GLN A 35 -9.595 0.000 7.145 1.00 24.34 C ATOM 563 C GLN A 35 -10.762 0.733 6.462 1.00 63.12 C ATOM 564 O GLN A 35 -10.812 0.838 5.235 1.00 54.30 O ATOM 565 CB GLN A 35 -10.007 -1.438 7.494 1.00 44.31 C ATOM 566 CG GLN A 35 -8.856 -2.308 7.995 1.00 61.30 C ATOM 567 CD GLN A 35 -9.314 -3.679 8.469 1.00 53.32 C ATOM 568 OE1 GLN A 35 -9.605 -3.879 9.643 1.00 70.25 O ATOM 569 NE2 GLN A 35 -9.396 -4.629 7.559 1.00 72.20 N ATOM 0 H GLN A 35 -9.157 0.132 9.200 1.00 62.45 H new ATOM 0 HA GLN A 35 -8.759 -0.024 6.446 1.00 24.34 H new ATOM 0 HB2 GLN A 35 -10.785 -1.407 8.257 1.00 44.31 H new ATOM 0 HB3 GLN A 35 -10.444 -1.904 6.611 1.00 44.31 H new ATOM 0 HG2 GLN A 35 -8.125 -2.431 7.196 1.00 61.30 H new ATOM 0 HG3 GLN A 35 -8.350 -1.796 8.814 1.00 61.30 H new ATOM 0 HE21 GLN A 35 -9.146 -4.430 6.590 1.00 72.20 H new ATOM 0 HE22 GLN A 35 -9.709 -5.563 7.824 1.00 72.20 H new ATOM 578 N SER A 36 -11.689 1.249 7.269 1.00 42.12 N ATOM 579 CA SER A 36 -12.828 2.026 6.756 1.00 30.42 C ATOM 580 C SER A 36 -12.368 3.269 5.975 1.00 13.01 C ATOM 581 O SER A 36 -13.037 3.703 5.041 1.00 53.22 O ATOM 582 CB SER A 36 -13.747 2.448 7.912 1.00 10.34 C ATOM 583 OG SER A 36 -14.285 1.313 8.576 1.00 63.21 O ATOM 0 H SER A 36 -11.677 1.145 8.284 1.00 42.12 H new ATOM 0 HA SER A 36 -13.378 1.384 6.068 1.00 30.42 H new ATOM 0 HB2 SER A 36 -13.188 3.058 8.622 1.00 10.34 H new ATOM 0 HB3 SER A 36 -14.558 3.068 7.529 1.00 10.34 H new ATOM 0 HG SER A 36 -14.865 1.607 9.309 1.00 63.21 H new ATOM 589 N SER A 37 -11.225 3.837 6.364 1.00 74.22 N ATOM 590 CA SER A 37 -10.648 4.992 5.653 1.00 41.41 C ATOM 591 C SER A 37 -9.997 4.554 4.334 1.00 24.13 C ATOM 592 O SER A 37 -10.276 5.114 3.270 1.00 44.03 O ATOM 593 CB SER A 37 -9.606 5.705 6.532 1.00 41.42 C ATOM 594 OG SER A 37 -9.000 6.793 5.845 1.00 10.54 O ATOM 0 H SER A 37 -10.678 3.521 7.165 1.00 74.22 H new ATOM 0 HA SER A 37 -11.460 5.684 5.431 1.00 41.41 H new ATOM 0 HB2 SER A 37 -10.084 6.069 7.442 1.00 41.42 H new ATOM 0 HB3 SER A 37 -8.839 4.994 6.838 1.00 41.42 H new ATOM 0 HG SER A 37 -8.344 7.226 6.431 1.00 10.54 H new ATOM 600 N LEU A 38 -9.143 3.534 4.414 1.00 53.24 N ATOM 601 CA LEU A 38 -8.446 2.997 3.238 1.00 1.32 C ATOM 602 C LEU A 38 -9.439 2.594 2.135 1.00 2.00 C ATOM 603 O LEU A 38 -9.231 2.894 0.960 1.00 51.21 O ATOM 604 CB LEU A 38 -7.589 1.788 3.650 1.00 72.40 C ATOM 605 CG LEU A 38 -6.723 1.173 2.534 1.00 42.41 C ATOM 606 CD1 LEU A 38 -5.703 2.184 2.016 1.00 71.24 C ATOM 607 CD2 LEU A 38 -6.032 -0.095 3.029 1.00 25.13 C ATOM 0 H LEU A 38 -8.914 3.058 5.286 1.00 53.24 H new ATOM 0 HA LEU A 38 -7.801 3.778 2.836 1.00 1.32 H new ATOM 0 HB2 LEU A 38 -6.935 2.091 4.467 1.00 72.40 H new ATOM 0 HB3 LEU A 38 -8.249 1.014 4.041 1.00 72.40 H new ATOM 0 HG LEU A 38 -7.376 0.903 1.704 1.00 42.41 H new ATOM 0 HD11 LEU A 38 -5.104 1.726 1.229 1.00 71.24 H new ATOM 0 HD12 LEU A 38 -6.224 3.054 1.616 1.00 71.24 H new ATOM 0 HD13 LEU A 38 -5.052 2.495 2.833 1.00 71.24 H new ATOM 0 HD21 LEU A 38 -5.425 -0.515 2.227 1.00 25.13 H new ATOM 0 HD22 LEU A 38 -5.394 0.147 3.879 1.00 25.13 H new ATOM 0 HD23 LEU A 38 -6.783 -0.823 3.335 1.00 25.13 H new ATOM 619 N ALA A 39 -10.532 1.938 2.531 1.00 51.31 N ATOM 620 CA ALA A 39 -11.556 1.472 1.583 1.00 52.25 C ATOM 621 C ALA A 39 -12.263 2.634 0.858 1.00 65.04 C ATOM 622 O ALA A 39 -12.886 2.441 -0.187 1.00 51.52 O ATOM 623 CB ALA A 39 -12.578 0.598 2.302 1.00 44.24 C ATOM 0 H ALA A 39 -10.734 1.715 3.506 1.00 51.31 H new ATOM 0 HA ALA A 39 -11.045 0.884 0.821 1.00 52.25 H new ATOM 0 HB1 ALA A 39 -13.331 0.259 1.591 1.00 44.24 H new ATOM 0 HB2 ALA A 39 -12.076 -0.265 2.738 1.00 44.24 H new ATOM 0 HB3 ALA A 39 -13.059 1.175 3.092 1.00 44.24 H new ATOM 629 N LYS A 40 -12.180 3.836 1.424 1.00 14.40 N ATOM 630 CA LYS A 40 -12.768 5.028 0.800 1.00 52.41 C ATOM 631 C LYS A 40 -11.773 5.698 -0.162 1.00 53.32 C ATOM 632 O LYS A 40 -12.154 6.177 -1.228 1.00 25.01 O ATOM 633 CB LYS A 40 -13.208 6.028 1.878 1.00 35.12 C ATOM 634 CG LYS A 40 -14.273 5.479 2.824 1.00 62.45 C ATOM 635 CD LYS A 40 -14.626 6.479 3.924 1.00 5.05 C ATOM 636 CE LYS A 40 -15.628 5.901 4.919 1.00 4.34 C ATOM 637 NZ LYS A 40 -15.949 6.865 6.007 1.00 31.42 N ATOM 0 H LYS A 40 -11.713 4.014 2.313 1.00 14.40 H new ATOM 0 HA LYS A 40 -13.639 4.713 0.226 1.00 52.41 H new ATOM 0 HB2 LYS A 40 -12.337 6.328 2.460 1.00 35.12 H new ATOM 0 HB3 LYS A 40 -13.592 6.926 1.394 1.00 35.12 H new ATOM 0 HG2 LYS A 40 -15.170 5.231 2.257 1.00 62.45 H new ATOM 0 HG3 LYS A 40 -13.916 4.553 3.275 1.00 62.45 H new ATOM 0 HD2 LYS A 40 -13.719 6.773 4.452 1.00 5.05 H new ATOM 0 HD3 LYS A 40 -15.040 7.382 3.475 1.00 5.05 H new ATOM 0 HE2 LYS A 40 -16.544 5.627 4.395 1.00 4.34 H new ATOM 0 HE3 LYS A 40 -15.223 4.986 5.352 1.00 4.34 H new ATOM 0 HZ1 LYS A 40 -16.633 6.434 6.662 1.00 31.42 H new ATOM 0 HZ2 LYS A 40 -15.080 7.107 6.524 1.00 31.42 H new ATOM 0 HZ3 LYS A 40 -16.359 7.728 5.596 1.00 31.42 H new ATOM 651 N GLU A 41 -10.498 5.725 0.224 1.00 23.54 N ATOM 652 CA GLU A 41 -9.446 6.333 -0.601 1.00 72.52 C ATOM 653 C GLU A 41 -9.069 5.435 -1.797 1.00 25.24 C ATOM 654 O GLU A 41 -9.127 5.862 -2.955 1.00 63.11 O ATOM 655 CB GLU A 41 -8.202 6.611 0.259 1.00 23.53 C ATOM 656 CG GLU A 41 -8.460 7.524 1.456 1.00 13.10 C ATOM 657 CD GLU A 41 -8.884 8.932 1.058 1.00 64.35 C ATOM 658 OE1 GLU A 41 -7.998 9.787 0.836 1.00 32.11 O ATOM 659 OE2 GLU A 41 -10.104 9.198 0.978 1.00 65.41 O ATOM 0 H GLU A 41 -10.165 5.333 1.105 1.00 23.54 H new ATOM 0 HA GLU A 41 -9.834 7.271 -0.999 1.00 72.52 H new ATOM 0 HB2 GLU A 41 -7.804 5.662 0.619 1.00 23.53 H new ATOM 0 HB3 GLU A 41 -7.433 7.062 -0.369 1.00 23.53 H new ATOM 0 HG2 GLU A 41 -9.235 7.081 2.082 1.00 13.10 H new ATOM 0 HG3 GLU A 41 -7.556 7.582 2.062 1.00 13.10 H new ATOM 666 N CYS A 42 -8.679 4.194 -1.507 1.00 72.31 N ATOM 667 CA CYS A 42 -8.271 3.233 -2.543 1.00 14.21 C ATOM 668 C CYS A 42 -9.476 2.427 -3.054 1.00 42.14 C ATOM 669 O CYS A 42 -10.341 2.030 -2.273 1.00 62.24 O ATOM 670 CB CYS A 42 -7.204 2.272 -2.000 1.00 71.40 C ATOM 671 SG CYS A 42 -7.811 1.122 -0.740 1.00 65.22 S ATOM 0 H CYS A 42 -8.635 3.824 -0.557 1.00 72.31 H new ATOM 0 HA CYS A 42 -7.852 3.802 -3.373 1.00 14.21 H new ATOM 0 HB2 CYS A 42 -6.792 1.699 -2.830 1.00 71.40 H new ATOM 0 HB3 CYS A 42 -6.386 2.856 -1.578 1.00 71.40 H new ATOM 0 HG CYS A 42 -8.685 1.723 0.011 1.00 65.22 H new ATOM 677 N PRO A 43 -9.552 2.168 -4.375 1.00 0.42 N ATOM 678 CA PRO A 43 -10.687 1.435 -4.990 1.00 51.40 C ATOM 679 C PRO A 43 -10.709 -0.081 -4.674 1.00 34.43 C ATOM 680 O PRO A 43 -11.366 -0.858 -5.373 1.00 55.53 O ATOM 681 CB PRO A 43 -10.462 1.661 -6.492 1.00 54.43 C ATOM 682 CG PRO A 43 -8.985 1.828 -6.624 1.00 3.11 C ATOM 683 CD PRO A 43 -8.547 2.566 -5.386 1.00 24.14 C ATOM 0 HA PRO A 43 -11.642 1.795 -4.607 1.00 51.40 H new ATOM 0 HB2 PRO A 43 -10.821 0.816 -7.079 1.00 54.43 H new ATOM 0 HB3 PRO A 43 -10.995 2.544 -6.845 1.00 54.43 H new ATOM 0 HG2 PRO A 43 -8.487 0.862 -6.701 1.00 3.11 H new ATOM 0 HG3 PRO A 43 -8.733 2.389 -7.524 1.00 3.11 H new ATOM 0 HD2 PRO A 43 -7.539 2.281 -5.084 1.00 24.14 H new ATOM 0 HD3 PRO A 43 -8.540 3.645 -5.543 1.00 24.14 H new ATOM 691 N LEU A 44 -10.006 -0.494 -3.619 1.00 53.53 N ATOM 692 CA LEU A 44 -9.924 -1.912 -3.241 1.00 75.22 C ATOM 693 C LEU A 44 -11.021 -2.284 -2.233 1.00 65.32 C ATOM 694 O LEU A 44 -11.144 -1.663 -1.178 1.00 24.32 O ATOM 695 CB LEU A 44 -8.544 -2.217 -2.639 1.00 31.23 C ATOM 696 CG LEU A 44 -7.345 -1.861 -3.531 1.00 25.12 C ATOM 697 CD1 LEU A 44 -6.037 -2.250 -2.845 1.00 5.51 C ATOM 698 CD2 LEU A 44 -7.462 -2.538 -4.896 1.00 11.25 C ATOM 0 H LEU A 44 -9.483 0.132 -3.007 1.00 53.53 H new ATOM 0 HA LEU A 44 -10.070 -2.508 -4.142 1.00 75.22 H new ATOM 0 HB2 LEU A 44 -8.449 -1.676 -1.698 1.00 31.23 H new ATOM 0 HB3 LEU A 44 -8.496 -3.280 -2.402 1.00 31.23 H new ATOM 0 HG LEU A 44 -7.344 -0.783 -3.689 1.00 25.12 H new ATOM 0 HD11 LEU A 44 -5.197 -1.991 -3.490 1.00 5.51 H new ATOM 0 HD12 LEU A 44 -5.948 -1.714 -1.900 1.00 5.51 H new ATOM 0 HD13 LEU A 44 -6.031 -3.323 -2.655 1.00 5.51 H new ATOM 0 HD21 LEU A 44 -6.602 -2.271 -5.510 1.00 11.25 H new ATOM 0 HD22 LEU A 44 -7.492 -3.620 -4.764 1.00 11.25 H new ATOM 0 HD23 LEU A 44 -8.376 -2.207 -5.389 1.00 11.25 H new ATOM 710 N SER A 45 -11.819 -3.301 -2.565 1.00 62.31 N ATOM 711 CA SER A 45 -12.882 -3.781 -1.665 1.00 33.45 C ATOM 712 C SER A 45 -12.310 -4.262 -0.322 1.00 70.44 C ATOM 713 O SER A 45 -11.376 -5.070 -0.286 1.00 61.00 O ATOM 714 CB SER A 45 -13.675 -4.921 -2.321 1.00 60.24 C ATOM 715 OG SER A 45 -14.737 -5.365 -1.484 1.00 72.45 O ATOM 0 H SER A 45 -11.754 -3.810 -3.447 1.00 62.31 H new ATOM 0 HA SER A 45 -13.548 -2.939 -1.476 1.00 33.45 H new ATOM 0 HB2 SER A 45 -14.079 -4.583 -3.275 1.00 60.24 H new ATOM 0 HB3 SER A 45 -13.006 -5.755 -2.536 1.00 60.24 H new ATOM 0 HG SER A 45 -15.224 -6.089 -1.930 1.00 72.45 H new ATOM 721 N GLN A 46 -12.899 -3.784 0.776 1.00 43.02 N ATOM 722 CA GLN A 46 -12.419 -4.098 2.129 1.00 70.53 C ATOM 723 C GLN A 46 -12.355 -5.619 2.359 1.00 62.33 C ATOM 724 O GLN A 46 -11.450 -6.117 3.034 1.00 22.55 O ATOM 725 CB GLN A 46 -13.333 -3.418 3.174 1.00 13.13 C ATOM 726 CG GLN A 46 -12.774 -3.372 4.602 1.00 54.50 C ATOM 727 CD GLN A 46 -12.806 -4.712 5.329 1.00 32.35 C ATOM 728 OE1 GLN A 46 -11.942 -5.008 6.147 1.00 20.44 O ATOM 729 NE2 GLN A 46 -13.814 -5.523 5.056 1.00 25.31 N ATOM 0 H GLN A 46 -13.716 -3.173 0.757 1.00 43.02 H new ATOM 0 HA GLN A 46 -11.406 -3.711 2.239 1.00 70.53 H new ATOM 0 HB2 GLN A 46 -13.535 -2.398 2.847 1.00 13.13 H new ATOM 0 HB3 GLN A 46 -14.289 -3.942 3.192 1.00 13.13 H new ATOM 0 HG2 GLN A 46 -11.745 -3.015 4.566 1.00 54.50 H new ATOM 0 HG3 GLN A 46 -13.343 -2.644 5.180 1.00 54.50 H new ATOM 0 HE21 GLN A 46 -14.518 -5.249 4.370 1.00 25.31 H new ATOM 0 HE22 GLN A 46 -13.888 -6.423 5.531 1.00 25.31 H new ATOM 738 N SER A 47 -13.311 -6.350 1.777 1.00 51.20 N ATOM 739 CA SER A 47 -13.362 -7.820 1.888 1.00 64.11 C ATOM 740 C SER A 47 -11.999 -8.465 1.585 1.00 50.14 C ATOM 741 O SER A 47 -11.590 -9.426 2.242 1.00 50.22 O ATOM 742 CB SER A 47 -14.417 -8.388 0.928 1.00 40.41 C ATOM 743 OG SER A 47 -15.704 -7.850 1.195 1.00 43.12 O ATOM 0 H SER A 47 -14.066 -5.949 1.220 1.00 51.20 H new ATOM 0 HA SER A 47 -13.630 -8.058 2.917 1.00 64.11 H new ATOM 0 HB2 SER A 47 -14.134 -8.164 -0.100 1.00 40.41 H new ATOM 0 HB3 SER A 47 -14.448 -9.474 1.021 1.00 40.41 H new ATOM 0 HG SER A 47 -16.354 -8.229 0.567 1.00 43.12 H new ATOM 749 N MET A 48 -11.298 -7.923 0.593 1.00 4.23 N ATOM 750 CA MET A 48 -9.970 -8.423 0.227 1.00 30.45 C ATOM 751 C MET A 48 -8.900 -7.921 1.207 1.00 72.10 C ATOM 752 O MET A 48 -8.046 -8.688 1.653 1.00 32.12 O ATOM 753 CB MET A 48 -9.616 -8.000 -1.206 1.00 43.51 C ATOM 754 CG MET A 48 -10.543 -8.582 -2.266 1.00 22.50 C ATOM 755 SD MET A 48 -10.050 -8.132 -3.942 1.00 33.44 S ATOM 756 CE MET A 48 -10.204 -6.346 -3.884 1.00 14.21 C ATOM 0 H MET A 48 -11.624 -7.139 0.027 1.00 4.23 H new ATOM 0 HA MET A 48 -9.995 -9.511 0.279 1.00 30.45 H new ATOM 0 HB2 MET A 48 -9.643 -6.912 -1.271 1.00 43.51 H new ATOM 0 HB3 MET A 48 -8.593 -8.307 -1.423 1.00 43.51 H new ATOM 0 HG2 MET A 48 -10.557 -9.668 -2.175 1.00 22.50 H new ATOM 0 HG3 MET A 48 -11.560 -8.234 -2.085 1.00 22.50 H new ATOM 0 HE1 MET A 48 -10.680 -5.992 -4.799 1.00 14.21 H new ATOM 0 HE2 MET A 48 -10.811 -6.061 -3.025 1.00 14.21 H new ATOM 0 HE3 MET A 48 -9.214 -5.898 -3.793 1.00 14.21 H new ATOM 766 N ILE A 49 -8.968 -6.637 1.549 1.00 15.14 N ATOM 767 CA ILE A 49 -8.009 -6.018 2.474 1.00 60.35 C ATOM 768 C ILE A 49 -7.913 -6.801 3.797 1.00 63.35 C ATOM 769 O ILE A 49 -6.821 -7.171 4.236 1.00 44.14 O ATOM 770 CB ILE A 49 -8.399 -4.546 2.777 1.00 14.33 C ATOM 771 CG1 ILE A 49 -8.484 -3.731 1.472 1.00 72.41 C ATOM 772 CG2 ILE A 49 -7.406 -3.911 3.754 1.00 20.13 C ATOM 773 CD1 ILE A 49 -8.939 -2.296 1.670 1.00 22.04 C ATOM 0 H ILE A 49 -9.681 -5.997 1.199 1.00 15.14 H new ATOM 0 HA ILE A 49 -7.036 -6.039 1.983 1.00 60.35 H new ATOM 0 HB ILE A 49 -9.382 -4.541 3.247 1.00 14.33 H new ATOM 0 HG12 ILE A 49 -7.505 -3.728 0.993 1.00 72.41 H new ATOM 0 HG13 ILE A 49 -9.172 -4.229 0.789 1.00 72.41 H new ATOM 0 HG21 ILE A 49 -7.699 -2.880 3.952 1.00 20.13 H new ATOM 0 HG22 ILE A 49 -7.404 -4.473 4.688 1.00 20.13 H new ATOM 0 HG23 ILE A 49 -6.407 -3.927 3.319 1.00 20.13 H new ATOM 0 HD11 ILE A 49 -8.973 -1.789 0.706 1.00 22.04 H new ATOM 0 HD12 ILE A 49 -9.932 -2.288 2.120 1.00 22.04 H new ATOM 0 HD13 ILE A 49 -8.239 -1.780 2.327 1.00 22.04 H new ATOM 785 N SER A 50 -9.066 -7.062 4.415 1.00 35.54 N ATOM 786 CA SER A 50 -9.123 -7.798 5.689 1.00 71.21 C ATOM 787 C SER A 50 -8.537 -9.211 5.557 1.00 53.02 C ATOM 788 O SER A 50 -7.757 -9.656 6.405 1.00 65.30 O ATOM 789 CB SER A 50 -10.568 -7.890 6.194 1.00 1.14 C ATOM 790 OG SER A 50 -10.633 -8.556 7.444 1.00 2.11 O ATOM 0 H SER A 50 -9.977 -6.776 4.057 1.00 35.54 H new ATOM 0 HA SER A 50 -8.520 -7.243 6.408 1.00 71.21 H new ATOM 0 HB2 SER A 50 -10.987 -6.888 6.291 1.00 1.14 H new ATOM 0 HB3 SER A 50 -11.178 -8.421 5.464 1.00 1.14 H new ATOM 0 HG SER A 50 -11.565 -8.599 7.743 1.00 2.11 H new ATOM 796 N SER A 51 -8.904 -9.908 4.483 1.00 31.23 N ATOM 797 CA SER A 51 -8.425 -11.279 4.242 1.00 43.53 C ATOM 798 C SER A 51 -6.894 -11.331 4.114 1.00 12.45 C ATOM 799 O SER A 51 -6.242 -12.215 4.673 1.00 30.24 O ATOM 800 CB SER A 51 -9.063 -11.852 2.967 1.00 53.41 C ATOM 801 OG SER A 51 -8.645 -13.191 2.722 1.00 61.00 O ATOM 0 H SER A 51 -9.531 -9.551 3.762 1.00 31.23 H new ATOM 0 HA SER A 51 -8.718 -11.881 5.102 1.00 43.53 H new ATOM 0 HB2 SER A 51 -10.149 -11.821 3.058 1.00 53.41 H new ATOM 0 HB3 SER A 51 -8.797 -11.227 2.115 1.00 53.41 H new ATOM 0 HG SER A 51 -7.960 -13.197 2.021 1.00 61.00 H new ATOM 807 N ILE A 52 -6.331 -10.370 3.385 1.00 13.22 N ATOM 808 CA ILE A 52 -4.888 -10.339 3.107 1.00 1.10 C ATOM 809 C ILE A 52 -4.060 -9.918 4.338 1.00 64.12 C ATOM 810 O ILE A 52 -2.955 -10.426 4.556 1.00 35.04 O ATOM 811 CB ILE A 52 -4.574 -9.388 1.922 1.00 11.41 C ATOM 812 CG1 ILE A 52 -5.340 -9.835 0.666 1.00 3.03 C ATOM 813 CG2 ILE A 52 -3.069 -9.335 1.643 1.00 71.51 C ATOM 814 CD1 ILE A 52 -5.171 -8.905 -0.516 1.00 72.40 C ATOM 0 H ILE A 52 -6.852 -9.596 2.972 1.00 13.22 H new ATOM 0 HA ILE A 52 -4.603 -11.357 2.844 1.00 1.10 H new ATOM 0 HB ILE A 52 -4.900 -8.384 2.194 1.00 11.41 H new ATOM 0 HG12 ILE A 52 -5.004 -10.832 0.383 1.00 3.03 H new ATOM 0 HG13 ILE A 52 -6.400 -9.912 0.907 1.00 3.03 H new ATOM 0 HG21 ILE A 52 -2.877 -8.661 0.808 1.00 71.51 H new ATOM 0 HG22 ILE A 52 -2.547 -8.973 2.529 1.00 71.51 H new ATOM 0 HG23 ILE A 52 -2.710 -10.333 1.394 1.00 71.51 H new ATOM 0 HD11 ILE A 52 -5.740 -9.287 -1.363 1.00 72.40 H new ATOM 0 HD12 ILE A 52 -5.534 -7.912 -0.252 1.00 72.40 H new ATOM 0 HD13 ILE A 52 -4.116 -8.846 -0.785 1.00 72.40 H new ATOM 826 N VAL A 53 -4.586 -8.993 5.141 1.00 72.25 N ATOM 827 CA VAL A 53 -3.860 -8.502 6.322 1.00 14.32 C ATOM 828 C VAL A 53 -3.867 -9.525 7.475 1.00 42.23 C ATOM 829 O VAL A 53 -2.874 -9.672 8.191 1.00 14.12 O ATOM 830 CB VAL A 53 -4.427 -7.142 6.821 1.00 50.24 C ATOM 831 CG1 VAL A 53 -5.862 -7.286 7.329 1.00 14.33 C ATOM 832 CG2 VAL A 53 -3.524 -6.538 7.900 1.00 10.25 C ATOM 0 H VAL A 53 -5.503 -8.569 5.001 1.00 72.25 H new ATOM 0 HA VAL A 53 -2.828 -8.354 6.004 1.00 14.32 H new ATOM 0 HB VAL A 53 -4.446 -6.460 5.971 1.00 50.24 H new ATOM 0 HG11 VAL A 53 -6.226 -6.317 7.670 1.00 14.33 H new ATOM 0 HG12 VAL A 53 -6.499 -7.650 6.523 1.00 14.33 H new ATOM 0 HG13 VAL A 53 -5.885 -7.994 8.157 1.00 14.33 H new ATOM 0 HG21 VAL A 53 -3.941 -5.588 8.233 1.00 10.25 H new ATOM 0 HG22 VAL A 53 -3.460 -7.223 8.746 1.00 10.25 H new ATOM 0 HG23 VAL A 53 -2.528 -6.373 7.490 1.00 10.25 H new ATOM 842 N ASN A 54 -4.981 -10.241 7.649 1.00 21.23 N ATOM 843 CA ASN A 54 -5.095 -11.234 8.730 1.00 70.24 C ATOM 844 C ASN A 54 -4.444 -12.578 8.362 1.00 75.12 C ATOM 845 O ASN A 54 -4.107 -13.373 9.244 1.00 33.32 O ATOM 846 CB ASN A 54 -6.565 -11.447 9.121 1.00 14.51 C ATOM 847 CG ASN A 54 -7.125 -10.277 9.912 1.00 61.13 C ATOM 848 OD1 ASN A 54 -6.996 -10.221 11.132 1.00 64.42 O ATOM 849 ND2 ASN A 54 -7.765 -9.345 9.235 1.00 10.55 N ATOM 0 H ASN A 54 -5.812 -10.156 7.063 1.00 21.23 H new ATOM 0 HA ASN A 54 -4.552 -10.832 9.585 1.00 70.24 H new ATOM 0 HB2 ASN A 54 -7.161 -11.593 8.220 1.00 14.51 H new ATOM 0 HB3 ASN A 54 -6.653 -12.358 9.712 1.00 14.51 H new ATOM 0 HD21 ASN A 54 -8.171 -8.547 9.724 1.00 10.55 H new ATOM 0 HD22 ASN A 54 -7.854 -9.421 8.222 1.00 10.55 H new ATOM 856 N SER A 55 -4.270 -12.839 7.069 1.00 32.20 N ATOM 857 CA SER A 55 -3.611 -14.074 6.615 1.00 54.15 C ATOM 858 C SER A 55 -2.149 -13.810 6.236 1.00 63.13 C ATOM 859 O SER A 55 -1.859 -12.942 5.414 1.00 1.04 O ATOM 860 CB SER A 55 -4.347 -14.679 5.416 1.00 74.04 C ATOM 861 OG SER A 55 -3.747 -15.905 5.010 1.00 65.31 O ATOM 0 H SER A 55 -4.572 -12.220 6.316 1.00 32.20 H new ATOM 0 HA SER A 55 -3.640 -14.782 7.444 1.00 54.15 H new ATOM 0 HB2 SER A 55 -5.392 -14.851 5.676 1.00 74.04 H new ATOM 0 HB3 SER A 55 -4.337 -13.973 4.585 1.00 74.04 H new ATOM 0 HG SER A 55 -3.804 -16.555 5.741 1.00 65.31 H new ATOM 867 N THR A 56 -1.230 -14.557 6.842 1.00 51.44 N ATOM 868 CA THR A 56 0.207 -14.400 6.563 1.00 55.13 C ATOM 869 C THR A 56 0.635 -15.155 5.298 1.00 42.55 C ATOM 870 O THR A 56 1.696 -14.881 4.731 1.00 32.52 O ATOM 871 CB THR A 56 1.075 -14.894 7.745 1.00 35.45 C ATOM 872 OG1 THR A 56 0.834 -16.290 7.987 1.00 74.15 O ATOM 873 CG2 THR A 56 0.784 -14.095 9.013 1.00 33.11 C ATOM 0 H THR A 56 -1.448 -15.278 7.530 1.00 51.44 H new ATOM 0 HA THR A 56 0.365 -13.332 6.413 1.00 55.13 H new ATOM 0 HB THR A 56 2.121 -14.747 7.477 1.00 35.45 H new ATOM 0 HG1 THR A 56 1.389 -16.593 8.736 1.00 74.15 H new ATOM 0 HG21 THR A 56 1.408 -14.464 9.827 1.00 33.11 H new ATOM 0 HG22 THR A 56 1.002 -13.042 8.837 1.00 33.11 H new ATOM 0 HG23 THR A 56 -0.266 -14.208 9.281 1.00 33.11 H new ATOM 881 N TYR A 57 -0.188 -16.109 4.860 1.00 32.45 N ATOM 882 CA TYR A 57 0.120 -16.912 3.666 1.00 42.14 C ATOM 883 C TYR A 57 -0.709 -16.478 2.443 1.00 33.25 C ATOM 884 O TYR A 57 -0.214 -16.499 1.315 1.00 42.14 O ATOM 885 CB TYR A 57 -0.091 -18.411 3.953 1.00 55.33 C ATOM 886 CG TYR A 57 -1.489 -18.782 4.429 1.00 2.01 C ATOM 887 CD1 TYR A 57 -2.488 -19.130 3.523 1.00 35.14 C ATOM 888 CD2 TYR A 57 -1.805 -18.798 5.785 1.00 64.01 C ATOM 889 CE1 TYR A 57 -3.755 -19.480 3.955 1.00 64.41 C ATOM 890 CE2 TYR A 57 -3.071 -19.147 6.222 1.00 41.45 C ATOM 891 CZ TYR A 57 -4.043 -19.487 5.304 1.00 41.25 C ATOM 892 OH TYR A 57 -5.304 -19.842 5.735 1.00 43.11 O ATOM 0 H TYR A 57 -1.072 -16.347 5.310 1.00 32.45 H new ATOM 0 HA TYR A 57 1.169 -16.740 3.425 1.00 42.14 H new ATOM 0 HB2 TYR A 57 0.130 -18.974 3.046 1.00 55.33 H new ATOM 0 HB3 TYR A 57 0.630 -18.727 4.708 1.00 55.33 H new ATOM 0 HD1 TYR A 57 -2.270 -19.127 2.465 1.00 35.14 H new ATOM 0 HD2 TYR A 57 -1.048 -18.533 6.509 1.00 64.01 H new ATOM 0 HE1 TYR A 57 -4.517 -19.747 3.238 1.00 64.41 H new ATOM 0 HE2 TYR A 57 -3.297 -19.153 7.278 1.00 41.45 H new ATOM 0 HH TYR A 57 -5.340 -19.796 6.713 1.00 43.11 H new ATOM 902 N TYR A 58 -1.964 -16.083 2.659 1.00 54.24 N ATOM 903 CA TYR A 58 -2.835 -15.666 1.552 1.00 54.33 C ATOM 904 C TYR A 58 -2.543 -14.217 1.131 1.00 64.32 C ATOM 905 O TYR A 58 -3.166 -13.272 1.616 1.00 64.31 O ATOM 906 CB TYR A 58 -4.316 -15.837 1.933 1.00 12.44 C ATOM 907 CG TYR A 58 -5.295 -15.519 0.809 1.00 13.45 C ATOM 908 CD1 TYR A 58 -5.504 -16.420 -0.232 1.00 53.51 C ATOM 909 CD2 TYR A 58 -6.012 -14.322 0.790 1.00 10.34 C ATOM 910 CE1 TYR A 58 -6.395 -16.140 -1.253 1.00 74.13 C ATOM 911 CE2 TYR A 58 -6.902 -14.037 -0.229 1.00 41.35 C ATOM 912 CZ TYR A 58 -7.089 -14.947 -1.247 1.00 21.44 C ATOM 913 OH TYR A 58 -7.980 -14.666 -2.262 1.00 22.02 O ATOM 0 H TYR A 58 -2.400 -16.042 3.580 1.00 54.24 H new ATOM 0 HA TYR A 58 -2.624 -16.309 0.698 1.00 54.33 H new ATOM 0 HB2 TYR A 58 -4.478 -16.864 2.260 1.00 12.44 H new ATOM 0 HB3 TYR A 58 -4.537 -15.193 2.784 1.00 12.44 H new ATOM 0 HD1 TYR A 58 -4.961 -17.354 -0.243 1.00 53.51 H new ATOM 0 HD2 TYR A 58 -5.869 -13.605 1.585 1.00 10.34 H new ATOM 0 HE1 TYR A 58 -6.547 -16.852 -2.051 1.00 74.13 H new ATOM 0 HE2 TYR A 58 -7.448 -13.105 -0.227 1.00 41.35 H new ATOM 0 HH TYR A 58 -8.385 -13.787 -2.107 1.00 22.02 H new ATOM 923 N ALA A 59 -1.566 -14.054 0.247 1.00 10.34 N ATOM 924 CA ALA A 59 -1.209 -12.742 -0.295 1.00 35.53 C ATOM 925 C ALA A 59 -1.154 -12.778 -1.830 1.00 72.12 C ATOM 926 O ALA A 59 -0.565 -11.905 -2.467 1.00 21.25 O ATOM 927 CB ALA A 59 0.126 -12.285 0.287 1.00 70.32 C ATOM 0 H ALA A 59 -1.000 -14.821 -0.115 1.00 10.34 H new ATOM 0 HA ALA A 59 -1.979 -12.025 -0.009 1.00 35.53 H new ATOM 0 HB1 ALA A 59 0.385 -11.308 -0.121 1.00 70.32 H new ATOM 0 HB2 ALA A 59 0.045 -12.216 1.372 1.00 70.32 H new ATOM 0 HB3 ALA A 59 0.902 -13.005 0.026 1.00 70.32 H new ATOM 933 N ASN A 60 -1.778 -13.798 -2.416 1.00 13.32 N ATOM 934 CA ASN A 60 -1.860 -13.924 -3.872 1.00 73.44 C ATOM 935 C ASN A 60 -2.828 -12.882 -4.450 1.00 3.11 C ATOM 936 O ASN A 60 -4.029 -13.133 -4.582 1.00 30.43 O ATOM 937 CB ASN A 60 -2.302 -15.344 -4.254 1.00 53.42 C ATOM 938 CG ASN A 60 -2.265 -15.585 -5.754 1.00 62.31 C ATOM 939 OD1 ASN A 60 -1.268 -16.042 -6.297 1.00 11.44 O ATOM 940 ND2 ASN A 60 -3.343 -15.266 -6.436 1.00 63.24 N ATOM 0 H ASN A 60 -2.236 -14.552 -1.904 1.00 13.32 H new ATOM 0 HA ASN A 60 -0.872 -13.741 -4.295 1.00 73.44 H new ATOM 0 HB2 ASN A 60 -1.655 -16.068 -3.758 1.00 53.42 H new ATOM 0 HB3 ASN A 60 -3.314 -15.516 -3.887 1.00 53.42 H new ATOM 0 HD21 ASN A 60 -3.364 -15.397 -7.447 1.00 63.24 H new ATOM 0 HD22 ASN A 60 -4.158 -14.887 -5.954 1.00 63.24 H new ATOM 947 N VAL A 61 -2.303 -11.705 -4.766 1.00 65.24 N ATOM 948 CA VAL A 61 -3.120 -10.596 -5.267 1.00 2.25 C ATOM 949 C VAL A 61 -3.045 -10.485 -6.800 1.00 0.31 C ATOM 950 O VAL A 61 -1.959 -10.372 -7.373 1.00 10.23 O ATOM 951 CB VAL A 61 -2.680 -9.250 -4.631 1.00 20.04 C ATOM 952 CG1 VAL A 61 -3.628 -8.120 -5.026 1.00 71.24 C ATOM 953 CG2 VAL A 61 -2.588 -9.373 -3.111 1.00 12.21 C ATOM 0 H VAL A 61 -1.310 -11.489 -4.685 1.00 65.24 H new ATOM 0 HA VAL A 61 -4.151 -10.808 -4.983 1.00 2.25 H new ATOM 0 HB VAL A 61 -1.689 -9.006 -5.014 1.00 20.04 H new ATOM 0 HG11 VAL A 61 -3.296 -7.189 -4.566 1.00 71.24 H new ATOM 0 HG12 VAL A 61 -3.630 -8.009 -6.110 1.00 71.24 H new ATOM 0 HG13 VAL A 61 -4.636 -8.354 -4.684 1.00 71.24 H new ATOM 0 HG21 VAL A 61 -2.278 -8.418 -2.687 1.00 12.21 H new ATOM 0 HG22 VAL A 61 -3.563 -9.650 -2.709 1.00 12.21 H new ATOM 0 HG23 VAL A 61 -1.858 -10.139 -2.852 1.00 12.21 H new ATOM 963 N SER A 62 -4.207 -10.533 -7.454 1.00 1.21 N ATOM 964 CA SER A 62 -4.303 -10.344 -8.915 1.00 64.12 C ATOM 965 C SER A 62 -3.657 -9.032 -9.377 1.00 30.10 C ATOM 966 O SER A 62 -3.726 -8.008 -8.687 1.00 73.24 O ATOM 967 CB SER A 62 -5.772 -10.368 -9.366 1.00 40.24 C ATOM 968 OG SER A 62 -5.906 -9.929 -10.709 1.00 75.11 O ATOM 0 H SER A 62 -5.103 -10.702 -6.998 1.00 1.21 H new ATOM 0 HA SER A 62 -3.758 -11.170 -9.373 1.00 64.12 H new ATOM 0 HB2 SER A 62 -6.168 -11.379 -9.270 1.00 40.24 H new ATOM 0 HB3 SER A 62 -6.366 -9.730 -8.712 1.00 40.24 H new ATOM 0 HG SER A 62 -6.850 -9.956 -10.969 1.00 75.11 H new ATOM 974 N ALA A 63 -3.044 -9.068 -10.561 1.00 23.32 N ATOM 975 CA ALA A 63 -2.386 -7.894 -11.147 1.00 21.52 C ATOM 976 C ALA A 63 -3.331 -6.690 -11.220 1.00 74.13 C ATOM 977 O ALA A 63 -2.909 -5.548 -11.046 1.00 42.31 O ATOM 978 CB ALA A 63 -1.866 -8.227 -12.540 1.00 34.42 C ATOM 0 H ALA A 63 -2.988 -9.906 -11.140 1.00 23.32 H new ATOM 0 HA ALA A 63 -1.552 -7.626 -10.499 1.00 21.52 H new ATOM 0 HB1 ALA A 63 -1.380 -7.350 -12.966 1.00 34.42 H new ATOM 0 HB2 ALA A 63 -1.148 -9.044 -12.474 1.00 34.42 H new ATOM 0 HB3 ALA A 63 -2.698 -8.526 -13.177 1.00 34.42 H new ATOM 984 N ALA A 64 -4.612 -6.963 -11.467 1.00 13.41 N ATOM 985 CA ALA A 64 -5.628 -5.911 -11.569 1.00 72.21 C ATOM 986 C ALA A 64 -5.635 -5.009 -10.324 1.00 63.44 C ATOM 987 O ALA A 64 -5.264 -3.835 -10.390 1.00 73.42 O ATOM 988 CB ALA A 64 -7.007 -6.528 -11.779 1.00 72.02 C ATOM 0 H ALA A 64 -4.974 -7.907 -11.601 1.00 13.41 H new ATOM 0 HA ALA A 64 -5.378 -5.290 -12.429 1.00 72.21 H new ATOM 0 HB1 ALA A 64 -7.752 -5.736 -11.853 1.00 72.02 H new ATOM 0 HB2 ALA A 64 -7.007 -7.114 -12.698 1.00 72.02 H new ATOM 0 HB3 ALA A 64 -7.248 -7.176 -10.936 1.00 72.02 H new ATOM 994 N LYS A 65 -6.043 -5.573 -9.188 1.00 31.20 N ATOM 995 CA LYS A 65 -6.118 -4.819 -7.931 1.00 2.43 C ATOM 996 C LYS A 65 -4.724 -4.425 -7.402 1.00 65.02 C ATOM 997 O LYS A 65 -4.588 -3.429 -6.690 1.00 41.42 O ATOM 998 CB LYS A 65 -6.911 -5.613 -6.879 1.00 52.43 C ATOM 999 CG LYS A 65 -6.541 -7.091 -6.793 1.00 12.22 C ATOM 1000 CD LYS A 65 -7.435 -7.840 -5.805 1.00 64.12 C ATOM 1001 CE LYS A 65 -7.157 -9.339 -5.798 1.00 21.23 C ATOM 1002 NZ LYS A 65 -8.061 -10.065 -4.865 1.00 42.51 N ATOM 0 H LYS A 65 -6.327 -6.549 -9.109 1.00 31.20 H new ATOM 0 HA LYS A 65 -6.646 -3.888 -8.136 1.00 2.43 H new ATOM 0 HB2 LYS A 65 -6.755 -5.155 -5.902 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -7.974 -5.530 -7.104 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -6.628 -7.546 -7.780 1.00 12.22 H new ATOM 0 HG3 LYS A 65 -5.499 -7.188 -6.487 1.00 12.22 H new ATOM 0 HD2 LYS A 65 -7.282 -7.439 -4.803 1.00 64.12 H new ATOM 0 HD3 LYS A 65 -8.480 -7.667 -6.061 1.00 64.12 H new ATOM 0 HE2 LYS A 65 -7.280 -9.736 -6.806 1.00 21.23 H new ATOM 0 HE3 LYS A 65 -6.120 -9.515 -5.510 1.00 21.23 H new ATOM 0 HZ1 LYS A 65 -7.548 -10.289 -3.989 1.00 42.51 H new ATOM 0 HZ2 LYS A 65 -8.882 -9.467 -4.642 1.00 42.51 H new ATOM 0 HZ3 LYS A 65 -8.385 -10.946 -5.312 1.00 42.51 H new ATOM 1016 N CYS A 66 -3.690 -5.196 -7.755 1.00 43.14 N ATOM 1017 CA CYS A 66 -2.303 -4.829 -7.409 1.00 51.34 C ATOM 1018 C CYS A 66 -1.941 -3.448 -7.973 1.00 53.23 C ATOM 1019 O CYS A 66 -1.570 -2.534 -7.233 1.00 73.32 O ATOM 1020 CB CYS A 66 -1.297 -5.866 -7.940 1.00 52.00 C ATOM 1021 SG CYS A 66 -1.342 -7.462 -7.095 1.00 64.42 S ATOM 0 H CYS A 66 -3.780 -6.069 -8.274 1.00 43.14 H new ATOM 0 HA CYS A 66 -2.245 -4.803 -6.321 1.00 51.34 H new ATOM 0 HB2 CYS A 66 -1.487 -6.026 -9.001 1.00 52.00 H new ATOM 0 HB3 CYS A 66 -0.292 -5.453 -7.855 1.00 52.00 H new ATOM 0 HG CYS A 66 -2.295 -8.191 -7.595 1.00 64.42 H new ATOM 1027 N GLN A 67 -2.064 -3.301 -9.291 1.00 0.22 N ATOM 1028 CA GLN A 67 -1.739 -2.039 -9.960 1.00 64.42 C ATOM 1029 C GLN A 67 -2.777 -0.950 -9.659 1.00 53.20 C ATOM 1030 O GLN A 67 -2.505 0.237 -9.839 1.00 32.23 O ATOM 1031 CB GLN A 67 -1.599 -2.260 -11.472 1.00 62.24 C ATOM 1032 CG GLN A 67 -0.438 -3.183 -11.837 1.00 13.13 C ATOM 1033 CD GLN A 67 -0.234 -3.341 -13.334 1.00 63.44 C ATOM 1034 OE1 GLN A 67 -0.517 -2.437 -14.116 1.00 50.01 O ATOM 1035 NE2 GLN A 67 0.274 -4.485 -13.744 1.00 21.22 N ATOM 0 H GLN A 67 -2.386 -4.038 -9.918 1.00 0.22 H new ATOM 0 HA GLN A 67 -0.784 -1.689 -9.567 1.00 64.42 H new ATOM 0 HB2 GLN A 67 -2.526 -2.682 -11.859 1.00 62.24 H new ATOM 0 HB3 GLN A 67 -1.458 -1.297 -11.963 1.00 62.24 H new ATOM 0 HG2 GLN A 67 0.478 -2.794 -11.393 1.00 13.13 H new ATOM 0 HG3 GLN A 67 -0.613 -4.165 -11.397 1.00 13.13 H new ATOM 0 HE21 GLN A 67 0.498 -5.215 -13.068 1.00 21.22 H new ATOM 0 HE22 GLN A 67 0.444 -4.641 -14.738 1.00 21.22 H new ATOM 1044 N GLU A 68 -3.968 -1.343 -9.199 1.00 33.02 N ATOM 1045 CA GLU A 68 -4.958 -0.366 -8.733 1.00 45.04 C ATOM 1046 C GLU A 68 -4.487 0.319 -7.444 1.00 41.04 C ATOM 1047 O GLU A 68 -4.670 1.525 -7.270 1.00 0.01 O ATOM 1048 CB GLU A 68 -6.335 -1.006 -8.525 1.00 34.01 C ATOM 1049 CG GLU A 68 -7.042 -1.371 -9.827 1.00 51.44 C ATOM 1050 CD GLU A 68 -8.531 -1.611 -9.644 1.00 11.51 C ATOM 1051 OE1 GLU A 68 -9.241 -0.647 -9.295 1.00 75.43 O ATOM 1052 OE2 GLU A 68 -8.998 -2.750 -9.859 1.00 35.24 O ATOM 0 H GLU A 68 -4.268 -2.316 -9.139 1.00 33.02 H new ATOM 0 HA GLU A 68 -5.057 0.389 -9.513 1.00 45.04 H new ATOM 0 HB2 GLU A 68 -6.221 -1.905 -7.919 1.00 34.01 H new ATOM 0 HB3 GLU A 68 -6.964 -0.318 -7.960 1.00 34.01 H new ATOM 0 HG2 GLU A 68 -6.895 -0.570 -10.551 1.00 51.44 H new ATOM 0 HG3 GLU A 68 -6.583 -2.267 -10.245 1.00 51.44 H new ATOM 1059 N PHE A 69 -3.883 -0.448 -6.540 1.00 54.04 N ATOM 1060 CA PHE A 69 -3.233 0.139 -5.366 1.00 32.04 C ATOM 1061 C PHE A 69 -1.965 0.887 -5.797 1.00 62.52 C ATOM 1062 O PHE A 69 -1.646 1.950 -5.269 1.00 65.51 O ATOM 1063 CB PHE A 69 -2.881 -0.943 -4.338 1.00 43.51 C ATOM 1064 CG PHE A 69 -2.272 -0.401 -3.061 1.00 21.33 C ATOM 1065 CD1 PHE A 69 -3.079 -0.018 -1.997 1.00 53.24 C ATOM 1066 CD2 PHE A 69 -0.893 -0.274 -2.925 1.00 45.44 C ATOM 1067 CE1 PHE A 69 -2.526 0.478 -0.830 1.00 32.45 C ATOM 1068 CE2 PHE A 69 -0.337 0.221 -1.760 1.00 40.42 C ATOM 1069 CZ PHE A 69 -1.154 0.596 -0.712 1.00 2.31 C ATOM 0 H PHE A 69 -3.829 -1.465 -6.594 1.00 54.04 H new ATOM 0 HA PHE A 69 -3.926 0.839 -4.900 1.00 32.04 H new ATOM 0 HB2 PHE A 69 -3.783 -1.502 -4.090 1.00 43.51 H new ATOM 0 HB3 PHE A 69 -2.184 -1.648 -4.791 1.00 43.51 H new ATOM 0 HD1 PHE A 69 -4.152 -0.109 -2.082 1.00 53.24 H new ATOM 0 HD2 PHE A 69 -0.248 -0.566 -3.741 1.00 45.44 H new ATOM 0 HE1 PHE A 69 -3.166 0.773 -0.012 1.00 32.45 H new ATOM 0 HE2 PHE A 69 0.735 0.314 -1.670 1.00 40.42 H new ATOM 0 HZ PHE A 69 -0.721 0.981 0.199 1.00 2.31 H new ATOM 1079 N GLY A 70 -1.254 0.317 -6.769 1.00 1.43 N ATOM 1080 CA GLY A 70 -0.057 0.951 -7.311 1.00 41.34 C ATOM 1081 C GLY A 70 -0.304 2.367 -7.828 1.00 45.41 C ATOM 1082 O GLY A 70 0.391 3.303 -7.436 1.00 32.30 O ATOM 0 H GLY A 70 -1.487 -0.580 -7.195 1.00 1.43 H new ATOM 0 HA2 GLY A 70 0.711 0.983 -6.538 1.00 41.34 H new ATOM 0 HA3 GLY A 70 0.334 0.338 -8.123 1.00 41.34 H new ATOM 1086 N ARG A 71 -1.301 2.527 -8.706 1.00 74.11 N ATOM 1087 CA ARG A 71 -1.647 3.847 -9.254 1.00 3.13 C ATOM 1088 C ARG A 71 -2.098 4.820 -8.148 1.00 50.22 C ATOM 1089 O ARG A 71 -1.780 6.011 -8.192 1.00 71.41 O ATOM 1090 CB ARG A 71 -2.739 3.721 -10.333 1.00 21.14 C ATOM 1091 CG ARG A 71 -4.033 3.063 -9.854 1.00 52.11 C ATOM 1092 CD ARG A 71 -5.096 3.037 -10.951 1.00 71.44 C ATOM 1093 NE ARG A 71 -6.287 2.274 -10.559 1.00 64.34 N ATOM 1094 CZ ARG A 71 -7.423 2.306 -11.206 1.00 70.14 C ATOM 1095 NH1 ARG A 71 -7.582 3.095 -12.218 1.00 73.41 N ATOM 1096 NH2 ARG A 71 -8.411 1.555 -10.833 1.00 51.32 N ATOM 0 H ARG A 71 -1.881 1.763 -9.052 1.00 74.11 H new ATOM 0 HA ARG A 71 -0.746 4.256 -9.712 1.00 3.13 H new ATOM 0 HB2 ARG A 71 -2.972 4.715 -10.714 1.00 21.14 H new ATOM 0 HB3 ARG A 71 -2.341 3.145 -11.168 1.00 21.14 H new ATOM 0 HG2 ARG A 71 -3.823 2.045 -9.527 1.00 52.11 H new ATOM 0 HG3 ARG A 71 -4.417 3.603 -8.989 1.00 52.11 H new ATOM 0 HD2 ARG A 71 -5.387 4.059 -11.195 1.00 71.44 H new ATOM 0 HD3 ARG A 71 -4.670 2.602 -11.855 1.00 71.44 H new ATOM 0 HE ARG A 71 -6.225 1.682 -9.731 1.00 64.34 H new ATOM 0 HH11 ARG A 71 -6.817 3.700 -12.518 1.00 73.41 H new ATOM 0 HH12 ARG A 71 -8.472 3.113 -12.716 1.00 73.41 H new ATOM 0 HH21 ARG A 71 -8.305 0.934 -10.031 1.00 51.32 H new ATOM 0 HH22 ARG A 71 -9.295 1.585 -11.342 1.00 51.32 H new ATOM 1110 N TRP A 72 -2.822 4.303 -7.154 1.00 2.44 N ATOM 1111 CA TRP A 72 -3.284 5.122 -6.024 1.00 62.05 C ATOM 1112 C TRP A 72 -2.101 5.608 -5.170 1.00 74.42 C ATOM 1113 O TRP A 72 -1.899 6.809 -4.990 1.00 63.33 O ATOM 1114 CB TRP A 72 -4.270 4.325 -5.152 1.00 4.30 C ATOM 1115 CG TRP A 72 -4.742 5.087 -3.944 1.00 1.33 C ATOM 1116 CD1 TRP A 72 -5.672 6.087 -3.913 1.00 11.42 C ATOM 1117 CD2 TRP A 72 -4.294 4.918 -2.593 1.00 43.41 C ATOM 1118 NE1 TRP A 72 -5.832 6.544 -2.627 1.00 22.54 N ATOM 1119 CE2 TRP A 72 -4.999 5.840 -1.798 1.00 3.23 C ATOM 1120 CE3 TRP A 72 -3.371 4.068 -1.979 1.00 1.43 C ATOM 1121 CZ2 TRP A 72 -4.805 5.941 -0.422 1.00 61.02 C ATOM 1122 CZ3 TRP A 72 -3.177 4.169 -0.615 1.00 20.32 C ATOM 1123 CH2 TRP A 72 -3.893 5.097 0.153 1.00 51.24 C ATOM 0 H TRP A 72 -3.102 3.324 -7.105 1.00 2.44 H new ATOM 0 HA TRP A 72 -3.794 5.996 -6.431 1.00 62.05 H new ATOM 0 HB2 TRP A 72 -5.133 4.043 -5.756 1.00 4.30 H new ATOM 0 HB3 TRP A 72 -3.792 3.401 -4.827 1.00 4.30 H new ATOM 0 HD1 TRP A 72 -6.204 6.464 -4.774 1.00 11.42 H new ATOM 0 HE1 TRP A 72 -6.468 7.287 -2.337 1.00 22.54 H new ATOM 0 HE3 TRP A 72 -2.819 3.345 -2.560 1.00 1.43 H new ATOM 0 HZ2 TRP A 72 -5.354 6.659 0.169 1.00 61.02 H new ATOM 0 HZ3 TRP A 72 -2.461 3.521 -0.132 1.00 20.32 H new ATOM 0 HH2 TRP A 72 -3.722 5.147 1.218 1.00 51.24 H new ATOM 1134 N TYR A 73 -1.318 4.661 -4.657 1.00 4.20 N ATOM 1135 CA TYR A 73 -0.151 4.978 -3.825 1.00 41.21 C ATOM 1136 C TYR A 73 0.873 5.819 -4.611 1.00 53.50 C ATOM 1137 O TYR A 73 1.593 6.640 -4.038 1.00 14.25 O ATOM 1138 CB TYR A 73 0.493 3.683 -3.306 1.00 25.32 C ATOM 1139 CG TYR A 73 1.476 3.893 -2.165 1.00 50.23 C ATOM 1140 CD1 TYR A 73 1.046 3.885 -0.840 1.00 21.11 C ATOM 1141 CD2 TYR A 73 2.831 4.094 -2.410 1.00 12.34 C ATOM 1142 CE1 TYR A 73 1.937 4.073 0.203 1.00 51.40 C ATOM 1143 CE2 TYR A 73 3.727 4.282 -1.372 1.00 63.31 C ATOM 1144 CZ TYR A 73 3.276 4.270 -0.068 1.00 23.32 C ATOM 1145 OH TYR A 73 4.170 4.456 0.968 1.00 62.34 O ATOM 0 H TYR A 73 -1.469 3.663 -4.802 1.00 4.20 H new ATOM 0 HA TYR A 73 -0.484 5.570 -2.972 1.00 41.21 H new ATOM 0 HB2 TYR A 73 -0.294 3.006 -2.973 1.00 25.32 H new ATOM 0 HB3 TYR A 73 1.009 3.191 -4.130 1.00 25.32 H new ATOM 0 HD1 TYR A 73 -0.000 3.729 -0.623 1.00 21.11 H new ATOM 0 HD2 TYR A 73 3.190 4.103 -3.429 1.00 12.34 H new ATOM 0 HE1 TYR A 73 1.586 4.066 1.224 1.00 51.40 H new ATOM 0 HE2 TYR A 73 4.775 4.437 -1.582 1.00 63.31 H new ATOM 0 HH TYR A 73 5.071 4.579 0.604 1.00 62.34 H new ATOM 1155 N LYS A 74 0.926 5.609 -5.926 1.00 30.42 N ATOM 1156 CA LYS A 74 1.766 6.425 -6.810 1.00 12.31 C ATOM 1157 C LYS A 74 1.257 7.874 -6.846 1.00 65.35 C ATOM 1158 O LYS A 74 2.021 8.821 -6.649 1.00 72.11 O ATOM 1159 CB LYS A 74 1.781 5.839 -8.227 1.00 30.25 C ATOM 1160 CG LYS A 74 2.723 6.564 -9.188 1.00 75.22 C ATOM 1161 CD LYS A 74 2.596 6.044 -10.618 1.00 61.30 C ATOM 1162 CE LYS A 74 1.215 6.324 -11.204 1.00 24.52 C ATOM 1163 NZ LYS A 74 1.126 5.927 -12.634 1.00 31.24 N ATOM 0 H LYS A 74 0.397 4.880 -6.406 1.00 30.42 H new ATOM 0 HA LYS A 74 2.783 6.419 -6.418 1.00 12.31 H new ATOM 0 HB2 LYS A 74 2.071 4.790 -8.172 1.00 30.25 H new ATOM 0 HB3 LYS A 74 0.770 5.870 -8.633 1.00 30.25 H new ATOM 0 HG2 LYS A 74 2.506 7.632 -9.171 1.00 75.22 H new ATOM 0 HG3 LYS A 74 3.751 6.442 -8.848 1.00 75.22 H new ATOM 0 HD2 LYS A 74 3.357 6.511 -11.243 1.00 61.30 H new ATOM 0 HD3 LYS A 74 2.786 4.971 -10.632 1.00 61.30 H new ATOM 0 HE2 LYS A 74 0.462 5.784 -10.630 1.00 24.52 H new ATOM 0 HE3 LYS A 74 0.989 7.386 -11.108 1.00 24.52 H new ATOM 0 HZ1 LYS A 74 0.172 6.134 -12.993 1.00 31.24 H new ATOM 0 HZ2 LYS A 74 1.827 6.460 -13.187 1.00 31.24 H new ATOM 0 HZ3 LYS A 74 1.316 4.909 -12.724 1.00 31.24 H new ATOM 1177 N HIS A 75 -0.043 8.033 -7.082 1.00 24.24 N ATOM 1178 CA HIS A 75 -0.685 9.354 -7.072 1.00 12.43 C ATOM 1179 C HIS A 75 -0.471 10.056 -5.718 1.00 22.32 C ATOM 1180 O HIS A 75 -0.210 11.258 -5.664 1.00 64.51 O ATOM 1181 CB HIS A 75 -2.184 9.199 -7.370 1.00 33.34 C ATOM 1182 CG HIS A 75 -2.945 10.489 -7.388 1.00 62.12 C ATOM 1183 ND1 HIS A 75 -3.993 10.759 -6.534 1.00 64.34 N ATOM 1184 CD2 HIS A 75 -2.820 11.583 -8.177 1.00 53.45 C ATOM 1185 CE1 HIS A 75 -4.477 11.954 -6.798 1.00 33.11 C ATOM 1186 NE2 HIS A 75 -3.785 12.475 -7.786 1.00 13.31 N ATOM 0 H HIS A 75 -0.679 7.262 -7.284 1.00 24.24 H new ATOM 0 HA HIS A 75 -0.230 9.974 -7.844 1.00 12.43 H new ATOM 0 HB2 HIS A 75 -2.302 8.708 -8.336 1.00 33.34 H new ATOM 0 HB3 HIS A 75 -2.625 8.541 -6.622 1.00 33.34 H new ATOM 0 HD2 HIS A 75 -2.096 11.726 -8.966 1.00 53.45 H new ATOM 0 HE1 HIS A 75 -5.304 12.427 -6.288 1.00 33.11 H new ATOM 0 HE2 HIS A 75 -3.941 13.396 -8.196 1.00 13.31 H new ATOM 1195 N PHE A 76 -0.568 9.283 -4.638 1.00 1.20 N ATOM 1196 CA PHE A 76 -0.356 9.795 -3.278 1.00 71.45 C ATOM 1197 C PHE A 76 1.085 10.301 -3.076 1.00 40.43 C ATOM 1198 O PHE A 76 1.296 11.463 -2.725 1.00 62.30 O ATOM 1199 CB PHE A 76 -0.683 8.698 -2.253 1.00 23.43 C ATOM 1200 CG PHE A 76 -0.478 9.122 -0.818 1.00 21.11 C ATOM 1201 CD1 PHE A 76 -1.404 9.938 -0.180 1.00 55.43 C ATOM 1202 CD2 PHE A 76 0.641 8.707 -0.107 1.00 5.04 C ATOM 1203 CE1 PHE A 76 -1.218 10.329 1.133 1.00 53.14 C ATOM 1204 CE2 PHE A 76 0.830 9.096 1.205 1.00 22.31 C ATOM 1205 CZ PHE A 76 -0.100 9.908 1.826 1.00 33.43 C ATOM 0 H PHE A 76 -0.794 8.289 -4.676 1.00 1.20 H new ATOM 0 HA PHE A 76 -1.024 10.643 -3.130 1.00 71.45 H new ATOM 0 HB2 PHE A 76 -1.719 8.388 -2.386 1.00 23.43 H new ATOM 0 HB3 PHE A 76 -0.061 7.827 -2.457 1.00 23.43 H new ATOM 0 HD1 PHE A 76 -2.280 10.271 -0.717 1.00 55.43 H new ATOM 0 HD2 PHE A 76 1.372 8.072 -0.586 1.00 5.04 H new ATOM 0 HE1 PHE A 76 -1.946 10.963 1.616 1.00 53.14 H new ATOM 0 HE2 PHE A 76 1.705 8.766 1.745 1.00 22.31 H new ATOM 0 HZ PHE A 76 0.047 10.213 2.852 1.00 33.43 H new ATOM 1215 N LYS A 77 2.077 9.434 -3.305 1.00 73.42 N ATOM 1216 CA LYS A 77 3.487 9.813 -3.119 1.00 35.13 C ATOM 1217 C LYS A 77 3.866 11.020 -3.996 1.00 21.51 C ATOM 1218 O LYS A 77 4.600 11.911 -3.561 1.00 72.54 O ATOM 1219 CB LYS A 77 4.426 8.629 -3.420 1.00 40.15 C ATOM 1220 CG LYS A 77 4.368 8.139 -4.865 1.00 22.42 C ATOM 1221 CD LYS A 77 5.414 7.063 -5.150 1.00 1.03 C ATOM 1222 CE LYS A 77 5.241 5.833 -4.260 1.00 21.41 C ATOM 1223 NZ LYS A 77 6.292 4.807 -4.514 1.00 53.23 N ATOM 0 H LYS A 77 1.935 8.473 -3.617 1.00 73.42 H new ATOM 0 HA LYS A 77 3.607 10.097 -2.073 1.00 35.13 H new ATOM 0 HB2 LYS A 77 5.450 8.923 -3.188 1.00 40.15 H new ATOM 0 HB3 LYS A 77 4.174 7.802 -2.757 1.00 40.15 H new ATOM 0 HG2 LYS A 77 3.374 7.742 -5.073 1.00 22.42 H new ATOM 0 HG3 LYS A 77 4.522 8.981 -5.539 1.00 22.42 H new ATOM 0 HD2 LYS A 77 5.348 6.764 -6.196 1.00 1.03 H new ATOM 0 HD3 LYS A 77 6.410 7.480 -5.000 1.00 1.03 H new ATOM 0 HE2 LYS A 77 5.275 6.135 -3.213 1.00 21.41 H new ATOM 0 HE3 LYS A 77 4.258 5.395 -4.434 1.00 21.41 H new ATOM 0 HZ1 LYS A 77 6.380 4.187 -3.684 1.00 53.23 H new ATOM 0 HZ2 LYS A 77 6.029 4.239 -5.344 1.00 53.23 H new ATOM 0 HZ3 LYS A 77 7.202 5.279 -4.691 1.00 53.23 H new ATOM 1237 N LYS A 78 3.346 11.049 -5.228 1.00 1.15 N ATOM 1238 CA LYS A 78 3.633 12.139 -6.168 1.00 11.02 C ATOM 1239 C LYS A 78 2.940 13.451 -5.760 1.00 51.43 C ATOM 1240 O LYS A 78 3.341 14.529 -6.198 1.00 0.23 O ATOM 1241 CB LYS A 78 3.224 11.742 -7.595 1.00 11.04 C ATOM 1242 CG LYS A 78 4.048 10.593 -8.171 1.00 63.24 C ATOM 1243 CD LYS A 78 3.653 10.265 -9.610 1.00 32.04 C ATOM 1244 CE LYS A 78 3.911 11.433 -10.559 1.00 61.24 C ATOM 1245 NZ LYS A 78 5.345 11.830 -10.581 1.00 11.41 N ATOM 0 H LYS A 78 2.724 10.330 -5.598 1.00 1.15 H new ATOM 0 HA LYS A 78 4.709 12.314 -6.141 1.00 11.02 H new ATOM 0 HB2 LYS A 78 2.171 11.459 -7.597 1.00 11.04 H new ATOM 0 HB3 LYS A 78 3.322 12.610 -8.247 1.00 11.04 H new ATOM 0 HG2 LYS A 78 5.106 10.854 -8.137 1.00 63.24 H new ATOM 0 HG3 LYS A 78 3.918 9.707 -7.549 1.00 63.24 H new ATOM 0 HD2 LYS A 78 4.213 9.393 -9.949 1.00 32.04 H new ATOM 0 HD3 LYS A 78 2.597 9.998 -9.643 1.00 32.04 H new ATOM 0 HE2 LYS A 78 3.596 11.158 -11.566 1.00 61.24 H new ATOM 0 HE3 LYS A 78 3.304 12.286 -10.257 1.00 61.24 H new ATOM 0 HZ1 LYS A 78 5.513 12.479 -11.376 1.00 11.41 H new ATOM 0 HZ2 LYS A 78 5.587 12.305 -9.688 1.00 11.41 H new ATOM 0 HZ3 LYS A 78 5.938 10.983 -10.694 1.00 11.41 H new ATOM 1259 N THR A 79 1.911 13.360 -4.915 1.00 10.02 N ATOM 1260 CA THR A 79 1.222 14.557 -4.400 1.00 40.44 C ATOM 1261 C THR A 79 2.183 15.448 -3.595 1.00 14.14 C ATOM 1262 O THR A 79 2.083 16.678 -3.623 1.00 42.53 O ATOM 1263 CB THR A 79 0.006 14.187 -3.506 1.00 14.22 C ATOM 1264 OG1 THR A 79 -0.946 13.409 -4.247 1.00 53.00 O ATOM 1265 CG2 THR A 79 -0.690 15.433 -2.963 1.00 43.30 C ATOM 0 H THR A 79 1.534 12.477 -4.571 1.00 10.02 H new ATOM 0 HA THR A 79 0.862 15.104 -5.271 1.00 40.44 H new ATOM 0 HB THR A 79 0.389 13.604 -2.668 1.00 14.22 H new ATOM 0 HG1 THR A 79 -0.544 12.551 -4.496 1.00 53.00 H new ATOM 0 HG21 THR A 79 -1.535 15.136 -2.342 1.00 43.30 H new ATOM 0 HG22 THR A 79 0.014 16.011 -2.365 1.00 43.30 H new ATOM 0 HG23 THR A 79 -1.046 16.042 -3.794 1.00 43.30 H new ATOM 1273 N LYS A 80 3.121 14.817 -2.883 1.00 34.54 N ATOM 1274 CA LYS A 80 4.118 15.547 -2.080 1.00 24.10 C ATOM 1275 C LYS A 80 5.518 15.501 -2.719 1.00 34.23 C ATOM 1276 O LYS A 80 6.498 15.947 -2.121 1.00 61.13 O ATOM 1277 CB LYS A 80 4.179 14.977 -0.655 1.00 12.42 C ATOM 1278 CG LYS A 80 2.855 15.061 0.105 1.00 40.35 C ATOM 1279 CD LYS A 80 3.030 14.727 1.586 1.00 64.04 C ATOM 1280 CE LYS A 80 3.969 15.712 2.275 1.00 40.55 C ATOM 1281 NZ LYS A 80 4.127 15.425 3.724 1.00 74.40 N ATOM 0 H LYS A 80 3.214 13.802 -2.843 1.00 34.54 H new ATOM 0 HA LYS A 80 3.801 16.589 -2.043 1.00 24.10 H new ATOM 0 HB2 LYS A 80 4.492 13.934 -0.705 1.00 12.42 H new ATOM 0 HB3 LYS A 80 4.944 15.513 -0.093 1.00 12.42 H new ATOM 0 HG2 LYS A 80 2.441 16.064 0.005 1.00 40.35 H new ATOM 0 HG3 LYS A 80 2.136 14.374 -0.340 1.00 40.35 H new ATOM 0 HD2 LYS A 80 2.059 14.742 2.081 1.00 64.04 H new ATOM 0 HD3 LYS A 80 3.424 13.716 1.688 1.00 64.04 H new ATOM 0 HE2 LYS A 80 4.946 15.677 1.792 1.00 40.55 H new ATOM 0 HE3 LYS A 80 3.586 16.725 2.148 1.00 40.55 H new ATOM 0 HZ1 LYS A 80 4.774 16.121 4.147 1.00 74.40 H new ATOM 0 HZ2 LYS A 80 3.200 15.484 4.193 1.00 74.40 H new ATOM 0 HZ3 LYS A 80 4.518 14.469 3.848 1.00 74.40 H new ATOM 1295 N ASP A 81 5.608 14.955 -3.929 1.00 32.25 N ATOM 1296 CA ASP A 81 6.876 14.911 -4.665 1.00 65.12 C ATOM 1297 C ASP A 81 7.038 16.175 -5.526 1.00 24.20 C ATOM 1298 O ASP A 81 6.098 16.593 -6.208 1.00 71.24 O ATOM 1299 CB ASP A 81 6.940 13.649 -5.534 1.00 5.25 C ATOM 1300 CG ASP A 81 8.181 13.606 -6.412 1.00 41.33 C ATOM 1301 OD1 ASP A 81 9.303 13.588 -5.865 1.00 23.32 O ATOM 1302 OD2 ASP A 81 8.039 13.609 -7.654 1.00 75.40 O ATOM 0 H ASP A 81 4.820 14.536 -4.423 1.00 32.25 H new ATOM 0 HA ASP A 81 7.698 14.878 -3.950 1.00 65.12 H new ATOM 0 HB2 ASP A 81 6.923 12.769 -4.891 1.00 5.25 H new ATOM 0 HB3 ASP A 81 6.052 13.601 -6.164 1.00 5.25 H new ATOM 1307 N MET A 82 8.237 16.770 -5.488 1.00 3.52 N ATOM 1308 CA MET A 82 8.526 18.040 -6.182 1.00 42.32 C ATOM 1309 C MET A 82 7.768 19.224 -5.549 1.00 1.43 C ATOM 1310 O MET A 82 6.798 19.039 -4.812 1.00 12.10 O ATOM 1311 CB MET A 82 8.199 17.940 -7.682 1.00 2.40 C ATOM 1312 CG MET A 82 8.962 16.836 -8.399 1.00 44.20 C ATOM 1313 SD MET A 82 10.752 17.028 -8.264 1.00 55.10 S ATOM 1314 CE MET A 82 11.000 18.576 -9.136 1.00 65.10 C ATOM 0 H MET A 82 9.034 16.389 -4.978 1.00 3.52 H new ATOM 0 HA MET A 82 9.594 18.227 -6.070 1.00 42.32 H new ATOM 0 HB2 MET A 82 7.129 17.768 -7.802 1.00 2.40 H new ATOM 0 HB3 MET A 82 8.423 18.894 -8.159 1.00 2.40 H new ATOM 0 HG2 MET A 82 8.672 15.871 -7.985 1.00 44.20 H new ATOM 0 HG3 MET A 82 8.679 16.829 -9.452 1.00 44.20 H new ATOM 0 HE1 MET A 82 12.055 18.688 -9.386 1.00 65.10 H new ATOM 0 HE2 MET A 82 10.408 18.577 -10.051 1.00 65.10 H new ATOM 0 HE3 MET A 82 10.688 19.405 -8.501 1.00 65.10 H new ATOM 1324 N MET A 83 8.223 20.443 -5.834 1.00 53.04 N ATOM 1325 CA MET A 83 7.608 21.655 -5.266 1.00 64.31 C ATOM 1326 C MET A 83 6.891 22.493 -6.348 1.00 11.41 C ATOM 1327 O MET A 83 5.648 22.383 -6.473 1.00 38.19 O ATOM 1328 CB MET A 83 8.682 22.493 -4.556 1.00 22.55 C ATOM 1329 CG MET A 83 9.383 21.748 -3.425 1.00 11.34 C ATOM 1330 SD MET A 83 10.696 22.715 -2.659 1.00 63.40 S ATOM 1331 CE MET A 83 11.233 21.599 -1.365 1.00 13.52 C ATOM 1332 OXT MET A 83 7.571 23.248 -7.077 1.00 38.19 O ATOM 0 H MET A 83 9.013 20.624 -6.453 1.00 53.04 H new ATOM 0 HA MET A 83 6.852 21.348 -4.543 1.00 64.31 H new ATOM 0 HB2 MET A 83 9.425 22.811 -5.287 1.00 22.55 H new ATOM 0 HB3 MET A 83 8.221 23.396 -4.155 1.00 22.55 H new ATOM 0 HG2 MET A 83 8.649 21.475 -2.666 1.00 11.34 H new ATOM 0 HG3 MET A 83 9.801 20.819 -3.813 1.00 11.34 H new ATOM 0 HE1 MET A 83 12.045 22.059 -0.802 1.00 13.52 H new ATOM 0 HE2 MET A 83 10.399 21.391 -0.695 1.00 13.52 H new ATOM 0 HE3 MET A 83 11.582 20.667 -1.810 1.00 13.52 H new TER 1342 MET A 83