USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 684 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 87 MET CE :methyl -141:sc= -0.16 (180deg=-0.00195) USER MOD Set 1.2: A 89 THR OG1 : rot -18:sc= 0.214 USER MOD Set 2.1: A 4 THR OG1 : rot 25:sc= 0.694 USER MOD Set 2.2: A 6 LYS NZ :NH3+ 140:sc= 0.255 (180deg=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 65:sc= 0.523 USER MOD Single : A 12 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.099) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.75 K(o=-1.8,f=-3.5!) USER MOD Single : A 41 SER OG : rot 53:sc= 0.191 USER MOD Single : A 42 SER OG : rot 24:sc= -0.402 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 56 HIS : no HD1:sc= -0.761 X(o=-0.76,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -0.514 K(o=-0.51,f=-4.3!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -60:sc= 0.874 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 85:sc= -0.0498 USER MOD Single : A 77 ASN : amide:sc= 0.117 K(o=0.12,f=-2.4!) USER MOD Single : A 80 SER OG : rot 91:sc= 0.474 USER MOD Single : A 81 SER OG : rot 60:sc= 1.02 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0695 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 91 ASN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.672 -3.125 0.665 1.00 55.13 N ATOM 2 CA GLY A 1 7.133 -2.050 -0.195 1.00 33.24 C ATOM 3 C GLY A 1 6.058 -1.570 -1.150 1.00 2.23 C ATOM 4 O GLY A 1 5.879 -2.136 -2.227 1.00 44.25 O ATOM 0 H1 GLY A 1 7.443 -3.418 1.299 1.00 55.13 H new ATOM 0 H2 GLY A 1 5.865 -2.795 1.231 1.00 55.13 H new ATOM 0 H3 GLY A 1 6.377 -3.934 0.082 1.00 55.13 H new ATOM 0 HA2 GLY A 1 7.467 -1.215 0.420 1.00 33.24 H new ATOM 0 HA3 GLY A 1 7.996 -2.391 -0.766 1.00 33.24 H new ATOM 8 N GLU A 2 5.340 -0.524 -0.753 1.00 2.23 N ATOM 9 CA GLU A 2 4.276 0.030 -1.581 1.00 52.13 C ATOM 10 C GLU A 2 4.324 1.555 -1.581 1.00 14.33 C ATOM 11 O GLU A 2 4.155 2.194 -2.620 1.00 21.12 O ATOM 12 CB GLU A 2 2.910 -0.448 -1.084 1.00 23.55 C ATOM 13 CG GLU A 2 2.243 -1.452 -2.009 1.00 15.31 C ATOM 14 CD GLU A 2 0.818 -1.767 -1.597 1.00 13.11 C ATOM 15 OE1 GLU A 2 0.550 -1.812 -0.378 1.00 34.41 O ATOM 16 OE2 GLU A 2 -0.029 -1.968 -2.492 1.00 62.25 O ATOM 0 H GLU A 2 5.476 -0.044 0.136 1.00 2.23 H new ATOM 0 HA GLU A 2 4.426 -0.321 -2.602 1.00 52.13 H new ATOM 0 HB2 GLU A 2 3.028 -0.898 -0.098 1.00 23.55 H new ATOM 0 HB3 GLU A 2 2.254 0.414 -0.964 1.00 23.55 H new ATOM 0 HG2 GLU A 2 2.245 -1.060 -3.026 1.00 15.31 H new ATOM 0 HG3 GLU A 2 2.826 -2.373 -2.021 1.00 15.31 H new ATOM 23 N LYS A 3 4.554 2.134 -0.407 1.00 21.42 N ATOM 24 CA LYS A 3 4.625 3.583 -0.268 1.00 42.44 C ATOM 25 C LYS A 3 5.810 3.989 0.602 1.00 43.32 C ATOM 26 O LYS A 3 5.663 4.762 1.549 1.00 31.04 O ATOM 27 CB LYS A 3 3.327 4.123 0.336 1.00 72.13 C ATOM 28 CG LYS A 3 2.891 3.391 1.593 1.00 33.20 C ATOM 29 CD LYS A 3 2.130 4.307 2.536 1.00 13.34 C ATOM 30 CE LYS A 3 1.445 3.522 3.645 1.00 51.25 C ATOM 31 NZ LYS A 3 0.773 4.419 4.625 1.00 33.55 N ATOM 0 H LYS A 3 4.695 1.620 0.463 1.00 21.42 H new ATOM 0 HA LYS A 3 4.762 4.011 -1.261 1.00 42.44 H new ATOM 0 HB2 LYS A 3 3.456 5.180 0.568 1.00 72.13 H new ATOM 0 HB3 LYS A 3 2.534 4.054 -0.408 1.00 72.13 H new ATOM 0 HG2 LYS A 3 2.262 2.543 1.322 1.00 33.20 H new ATOM 0 HG3 LYS A 3 3.766 2.988 2.103 1.00 33.20 H new ATOM 0 HD2 LYS A 3 2.816 5.032 2.973 1.00 13.34 H new ATOM 0 HD3 LYS A 3 1.385 4.871 1.975 1.00 13.34 H new ATOM 0 HE2 LYS A 3 0.711 2.844 3.210 1.00 51.25 H new ATOM 0 HE3 LYS A 3 2.181 2.906 4.162 1.00 51.25 H new ATOM 0 HZ1 LYS A 3 0.318 3.846 5.365 1.00 33.55 H new ATOM 0 HZ2 LYS A 3 1.478 5.049 5.059 1.00 33.55 H new ATOM 0 HZ3 LYS A 3 0.053 4.989 4.137 1.00 33.55 H new ATOM 45 N THR A 4 6.987 3.465 0.274 1.00 61.24 N ATOM 46 CA THR A 4 8.197 3.773 1.025 1.00 64.23 C ATOM 47 C THR A 4 9.438 3.638 0.149 1.00 75.14 C ATOM 48 O THR A 4 9.501 2.774 -0.726 1.00 22.20 O ATOM 49 CB THR A 4 8.347 2.853 2.251 1.00 12.12 C ATOM 50 OG1 THR A 4 8.083 1.495 1.880 1.00 1.34 O ATOM 51 CG2 THR A 4 7.397 3.274 3.362 1.00 11.23 C ATOM 0 H THR A 4 7.128 2.825 -0.508 1.00 61.24 H new ATOM 0 HA THR A 4 8.104 4.805 1.363 1.00 64.23 H new ATOM 0 HB THR A 4 9.370 2.937 2.618 1.00 12.12 H new ATOM 0 HG1 THR A 4 8.262 1.376 0.924 1.00 1.34 H new ATOM 0 HG21 THR A 4 7.521 2.610 4.218 1.00 11.23 H new ATOM 0 HG22 THR A 4 7.619 4.298 3.662 1.00 11.23 H new ATOM 0 HG23 THR A 4 6.369 3.216 3.003 1.00 11.23 H new ATOM 59 N VAL A 5 10.423 4.497 0.389 1.00 12.30 N ATOM 60 CA VAL A 5 11.663 4.473 -0.377 1.00 72.34 C ATOM 61 C VAL A 5 12.718 3.616 0.312 1.00 22.54 C ATOM 62 O VAL A 5 12.675 3.414 1.526 1.00 14.22 O ATOM 63 CB VAL A 5 12.224 5.892 -0.583 1.00 1.23 C ATOM 64 CG1 VAL A 5 12.731 6.461 0.733 1.00 5.55 C ATOM 65 CG2 VAL A 5 13.328 5.882 -1.629 1.00 52.14 C ATOM 0 H VAL A 5 10.386 5.219 1.109 1.00 12.30 H new ATOM 0 HA VAL A 5 11.426 4.040 -1.349 1.00 72.34 H new ATOM 0 HB VAL A 5 11.420 6.533 -0.943 1.00 1.23 H new ATOM 0 HG11 VAL A 5 13.124 7.464 0.568 1.00 5.55 H new ATOM 0 HG12 VAL A 5 11.911 6.505 1.450 1.00 5.55 H new ATOM 0 HG13 VAL A 5 13.522 5.822 1.125 1.00 5.55 H new ATOM 0 HG21 VAL A 5 13.713 6.893 -1.762 1.00 52.14 H new ATOM 0 HG22 VAL A 5 14.135 5.227 -1.300 1.00 52.14 H new ATOM 0 HG23 VAL A 5 12.929 5.519 -2.576 1.00 52.14 H new ATOM 75 N LYS A 6 13.667 3.112 -0.470 1.00 3.44 N ATOM 76 CA LYS A 6 14.737 2.278 0.065 1.00 72.34 C ATOM 77 C LYS A 6 16.066 2.599 -0.611 1.00 23.54 C ATOM 78 O LYS A 6 16.295 2.226 -1.762 1.00 64.11 O ATOM 79 CB LYS A 6 14.400 0.797 -0.126 1.00 52.15 C ATOM 80 CG LYS A 6 13.388 0.269 0.875 1.00 14.55 C ATOM 81 CD LYS A 6 12.052 -0.029 0.215 1.00 64.44 C ATOM 82 CE LYS A 6 10.979 -0.348 1.245 1.00 45.24 C ATOM 83 NZ LYS A 6 10.815 0.754 2.233 1.00 24.32 N ATOM 0 H LYS A 6 13.717 3.267 -1.477 1.00 3.44 H new ATOM 0 HA LYS A 6 14.831 2.489 1.130 1.00 72.34 H new ATOM 0 HB2 LYS A 6 14.013 0.648 -1.134 1.00 52.15 H new ATOM 0 HB3 LYS A 6 15.316 0.212 -0.047 1.00 52.15 H new ATOM 0 HG2 LYS A 6 13.775 -0.637 1.341 1.00 14.55 H new ATOM 0 HG3 LYS A 6 13.246 1.001 1.671 1.00 14.55 H new ATOM 0 HD2 LYS A 6 11.741 0.828 -0.382 1.00 64.44 H new ATOM 0 HD3 LYS A 6 12.163 -0.871 -0.469 1.00 64.44 H new ATOM 0 HE2 LYS A 6 10.030 -0.526 0.738 1.00 45.24 H new ATOM 0 HE3 LYS A 6 11.239 -1.269 1.767 1.00 45.24 H new ATOM 0 HZ1 LYS A 6 9.805 0.886 2.442 1.00 24.32 H new ATOM 0 HZ2 LYS A 6 11.321 0.513 3.109 1.00 24.32 H new ATOM 0 HZ3 LYS A 6 11.205 1.634 1.839 1.00 24.32 H new ATOM 97 N LEU A 7 16.940 3.290 0.113 1.00 41.14 N ATOM 98 CA LEU A 7 18.248 3.660 -0.416 1.00 65.22 C ATOM 99 C LEU A 7 19.321 2.682 0.053 1.00 44.32 C ATOM 100 O LEU A 7 19.419 2.376 1.241 1.00 24.23 O ATOM 101 CB LEU A 7 18.613 5.081 0.017 1.00 75.10 C ATOM 102 CG LEU A 7 18.298 6.190 -0.988 1.00 4.14 C ATOM 103 CD1 LEU A 7 16.854 6.095 -1.453 1.00 52.21 C ATOM 104 CD2 LEU A 7 18.576 7.556 -0.378 1.00 15.35 C ATOM 0 H LEU A 7 16.767 3.605 1.067 1.00 41.14 H new ATOM 0 HA LEU A 7 18.196 3.621 -1.504 1.00 65.22 H new ATOM 0 HB2 LEU A 7 18.090 5.302 0.947 1.00 75.10 H new ATOM 0 HB3 LEU A 7 19.680 5.110 0.237 1.00 75.10 H new ATOM 0 HG LEU A 7 18.946 6.063 -1.856 1.00 4.14 H new ATOM 0 HD11 LEU A 7 16.649 6.892 -2.167 1.00 52.21 H new ATOM 0 HD12 LEU A 7 16.688 5.129 -1.930 1.00 52.21 H new ATOM 0 HD13 LEU A 7 16.188 6.196 -0.596 1.00 52.21 H new ATOM 0 HD21 LEU A 7 18.346 8.333 -1.107 1.00 15.35 H new ATOM 0 HD22 LEU A 7 17.954 7.693 0.507 1.00 15.35 H new ATOM 0 HD23 LEU A 7 19.627 7.622 -0.096 1.00 15.35 H new ATOM 116 N TYR A 8 20.125 2.198 -0.888 1.00 12.04 N ATOM 117 CA TYR A 8 21.191 1.255 -0.571 1.00 11.23 C ATOM 118 C TYR A 8 22.561 1.887 -0.794 1.00 4.32 C ATOM 119 O TYR A 8 22.735 2.721 -1.682 1.00 14.21 O ATOM 120 CB TYR A 8 21.054 -0.007 -1.424 1.00 22.12 C ATOM 121 CG TYR A 8 19.641 -0.541 -1.494 1.00 2.35 C ATOM 122 CD1 TYR A 8 18.727 -0.027 -2.405 1.00 44.41 C ATOM 123 CD2 TYR A 8 19.220 -1.560 -0.648 1.00 42.11 C ATOM 124 CE1 TYR A 8 17.435 -0.511 -2.472 1.00 3.44 C ATOM 125 CE2 TYR A 8 17.930 -2.051 -0.709 1.00 24.25 C ATOM 126 CZ TYR A 8 17.042 -1.523 -1.621 1.00 53.05 C ATOM 127 OH TYR A 8 15.756 -2.009 -1.686 1.00 12.14 O ATOM 0 H TYR A 8 20.059 2.443 -1.876 1.00 12.04 H new ATOM 0 HA TYR A 8 21.102 0.985 0.481 1.00 11.23 H new ATOM 0 HB2 TYR A 8 21.403 0.208 -2.434 1.00 22.12 H new ATOM 0 HB3 TYR A 8 21.706 -0.781 -1.020 1.00 22.12 H new ATOM 0 HD1 TYR A 8 19.032 0.765 -3.073 1.00 44.41 H new ATOM 0 HD2 TYR A 8 19.913 -1.975 0.069 1.00 42.11 H new ATOM 0 HE1 TYR A 8 16.737 -0.100 -3.186 1.00 3.44 H new ATOM 0 HE2 TYR A 8 17.619 -2.844 -0.045 1.00 24.25 H new ATOM 0 HH TYR A 8 15.641 -2.719 -1.021 1.00 12.14 H new ATOM 137 N GLU A 9 23.532 1.483 0.019 1.00 21.44 N ATOM 138 CA GLU A 9 24.888 2.009 -0.089 1.00 15.23 C ATOM 139 C GLU A 9 25.600 1.432 -1.309 1.00 14.50 C ATOM 140 O GLU A 9 26.435 2.095 -1.924 1.00 42.11 O ATOM 141 CB GLU A 9 25.685 1.691 1.178 1.00 15.21 C ATOM 142 CG GLU A 9 26.136 0.243 1.266 1.00 74.00 C ATOM 143 CD GLU A 9 26.283 -0.236 2.697 1.00 20.40 C ATOM 144 OE1 GLU A 9 25.442 0.143 3.539 1.00 42.52 O ATOM 145 OE2 GLU A 9 27.239 -0.990 2.975 1.00 35.53 O ATOM 0 H GLU A 9 23.405 0.793 0.760 1.00 21.44 H new ATOM 0 HA GLU A 9 24.822 3.091 -0.206 1.00 15.23 H new ATOM 0 HB2 GLU A 9 26.561 2.339 1.218 1.00 15.21 H new ATOM 0 HB3 GLU A 9 25.074 1.926 2.050 1.00 15.21 H new ATOM 0 HG2 GLU A 9 25.416 -0.390 0.747 1.00 74.00 H new ATOM 0 HG3 GLU A 9 27.089 0.131 0.750 1.00 74.00 H new ATOM 152 N ASP A 10 25.263 0.194 -1.652 1.00 51.24 N ATOM 153 CA ASP A 10 25.869 -0.473 -2.799 1.00 11.20 C ATOM 154 C ASP A 10 24.882 -0.565 -3.958 1.00 53.24 C ATOM 155 O ASP A 10 23.742 -0.998 -3.785 1.00 60.24 O ATOM 156 CB ASP A 10 26.347 -1.872 -2.408 1.00 3.10 C ATOM 157 CG ASP A 10 27.844 -1.928 -2.175 1.00 2.22 C ATOM 158 OD1 ASP A 10 28.310 -1.353 -1.169 1.00 22.05 O ATOM 159 OD2 ASP A 10 28.550 -2.547 -2.998 1.00 73.10 O ATOM 0 H ASP A 10 24.574 -0.368 -1.153 1.00 51.24 H new ATOM 0 HA ASP A 10 26.726 0.119 -3.121 1.00 11.20 H new ATOM 0 HB2 ASP A 10 25.829 -2.190 -1.503 1.00 3.10 H new ATOM 0 HB3 ASP A 10 26.078 -2.578 -3.194 1.00 3.10 H new ATOM 164 N THR A 11 25.326 -0.153 -5.142 1.00 3.02 N ATOM 165 CA THR A 11 24.482 -0.187 -6.329 1.00 41.43 C ATOM 166 C THR A 11 24.014 -1.606 -6.631 1.00 51.51 C ATOM 167 O THR A 11 24.503 -2.570 -6.041 1.00 55.14 O ATOM 168 CB THR A 11 25.222 0.371 -7.560 1.00 73.42 C ATOM 169 OG1 THR A 11 24.332 0.431 -8.681 1.00 31.14 O ATOM 170 CG2 THR A 11 26.424 -0.495 -7.907 1.00 12.21 C ATOM 0 H THR A 11 26.266 0.208 -5.304 1.00 3.02 H new ATOM 0 HA THR A 11 23.616 0.441 -6.119 1.00 41.43 H new ATOM 0 HB THR A 11 25.574 1.375 -7.321 1.00 73.42 H new ATOM 0 HG1 THR A 11 23.616 1.074 -8.496 1.00 31.14 H new ATOM 0 HG21 THR A 11 26.931 -0.082 -8.779 1.00 12.21 H new ATOM 0 HG22 THR A 11 27.113 -0.516 -7.063 1.00 12.21 H new ATOM 0 HG23 THR A 11 26.090 -1.509 -8.128 1.00 12.21 H new ATOM 178 N HIS A 12 23.065 -1.727 -7.554 1.00 14.14 N ATOM 179 CA HIS A 12 22.531 -3.030 -7.935 1.00 2.12 C ATOM 180 C HIS A 12 21.807 -3.685 -6.762 1.00 51.44 C ATOM 181 O HIS A 12 21.897 -4.896 -6.562 1.00 4.12 O ATOM 182 CB HIS A 12 23.656 -3.941 -8.427 1.00 41.23 C ATOM 183 CG HIS A 12 23.172 -5.112 -9.225 1.00 62.23 C ATOM 184 ND1 HIS A 12 23.919 -6.257 -9.411 1.00 12.44 N ATOM 185 CD2 HIS A 12 22.008 -5.313 -9.887 1.00 4.13 C ATOM 186 CE1 HIS A 12 23.236 -7.110 -10.153 1.00 10.22 C ATOM 187 NE2 HIS A 12 22.073 -6.561 -10.455 1.00 31.43 N ATOM 0 H HIS A 12 22.650 -0.939 -8.052 1.00 14.14 H new ATOM 0 HA HIS A 12 21.815 -2.880 -8.743 1.00 2.12 H new ATOM 0 HB2 HIS A 12 24.346 -3.357 -9.036 1.00 41.23 H new ATOM 0 HB3 HIS A 12 24.220 -4.305 -7.568 1.00 41.23 H new ATOM 0 HD2 HIS A 12 21.182 -4.620 -9.955 1.00 4.13 H new ATOM 0 HE1 HIS A 12 23.571 -8.090 -10.460 1.00 10.22 H new ATOM 0 HE2 HIS A 12 21.342 -6.994 -11.019 1.00 31.43 H new ATOM 195 N PHE A 13 21.089 -2.875 -5.990 1.00 61.53 N ATOM 196 CA PHE A 13 20.351 -3.376 -4.837 1.00 13.24 C ATOM 197 C PHE A 13 21.255 -4.205 -3.930 1.00 23.31 C ATOM 198 O PHE A 13 20.959 -5.361 -3.628 1.00 23.53 O ATOM 199 CB PHE A 13 19.158 -4.218 -5.294 1.00 12.21 C ATOM 200 CG PHE A 13 18.091 -3.419 -5.986 1.00 73.24 C ATOM 201 CD1 PHE A 13 18.307 -2.900 -7.253 1.00 22.04 C ATOM 202 CD2 PHE A 13 16.871 -3.187 -5.371 1.00 22.22 C ATOM 203 CE1 PHE A 13 17.327 -2.165 -7.893 1.00 2.01 C ATOM 204 CE2 PHE A 13 15.887 -2.453 -6.006 1.00 64.32 C ATOM 205 CZ PHE A 13 16.116 -1.941 -7.268 1.00 41.52 C ATOM 0 H PHE A 13 21.003 -1.870 -6.142 1.00 61.53 H new ATOM 0 HA PHE A 13 19.986 -2.519 -4.271 1.00 13.24 H new ATOM 0 HB2 PHE A 13 19.511 -4.998 -5.968 1.00 12.21 H new ATOM 0 HB3 PHE A 13 18.723 -4.717 -4.428 1.00 12.21 H new ATOM 0 HD1 PHE A 13 19.252 -3.072 -7.746 1.00 22.04 H new ATOM 0 HD2 PHE A 13 16.687 -3.584 -4.384 1.00 22.22 H new ATOM 0 HE1 PHE A 13 17.508 -1.766 -8.880 1.00 2.01 H new ATOM 0 HE2 PHE A 13 14.940 -2.280 -5.516 1.00 64.32 H new ATOM 0 HZ PHE A 13 15.349 -1.366 -7.766 1.00 41.52 H new ATOM 215 N LYS A 14 22.360 -3.606 -3.499 1.00 65.53 N ATOM 216 CA LYS A 14 23.310 -4.287 -2.627 1.00 33.23 C ATOM 217 C LYS A 14 23.676 -3.412 -1.432 1.00 55.44 C ATOM 218 O LYS A 14 23.550 -2.189 -1.485 1.00 43.04 O ATOM 219 CB LYS A 14 24.573 -4.660 -3.405 1.00 43.25 C ATOM 220 CG LYS A 14 24.652 -6.133 -3.768 1.00 2.30 C ATOM 221 CD LYS A 14 24.651 -6.337 -5.274 1.00 35.23 C ATOM 222 CE LYS A 14 26.001 -5.994 -5.884 1.00 73.13 C ATOM 223 NZ LYS A 14 26.779 -7.215 -6.232 1.00 74.41 N ATOM 0 H LYS A 14 22.620 -2.649 -3.740 1.00 65.53 H new ATOM 0 HA LYS A 14 22.837 -5.197 -2.258 1.00 33.23 H new ATOM 0 HB2 LYS A 14 24.615 -4.067 -4.318 1.00 43.25 H new ATOM 0 HB3 LYS A 14 25.447 -4.394 -2.811 1.00 43.25 H new ATOM 0 HG2 LYS A 14 25.557 -6.566 -3.342 1.00 2.30 H new ATOM 0 HG3 LYS A 14 23.808 -6.663 -3.328 1.00 2.30 H new ATOM 0 HD2 LYS A 14 24.400 -7.373 -5.502 1.00 35.23 H new ATOM 0 HD3 LYS A 14 23.878 -5.715 -5.726 1.00 35.23 H new ATOM 0 HE2 LYS A 14 25.852 -5.391 -6.780 1.00 73.13 H new ATOM 0 HE3 LYS A 14 26.573 -5.387 -5.182 1.00 73.13 H new ATOM 0 HZ1 LYS A 14 27.693 -6.939 -6.645 1.00 74.41 H new ATOM 0 HZ2 LYS A 14 26.943 -7.778 -5.373 1.00 74.41 H new ATOM 0 HZ3 LYS A 14 26.245 -7.782 -6.921 1.00 74.41 H new ATOM 237 N GLY A 15 24.130 -4.046 -0.356 1.00 32.31 N ATOM 238 CA GLY A 15 24.508 -3.309 0.835 1.00 1.14 C ATOM 239 C GLY A 15 23.327 -3.030 1.744 1.00 42.42 C ATOM 240 O GLY A 15 22.229 -3.540 1.521 1.00 41.24 O ATOM 0 H GLY A 15 24.243 -5.057 -0.288 1.00 32.31 H new ATOM 0 HA2 GLY A 15 25.260 -3.875 1.385 1.00 1.14 H new ATOM 0 HA3 GLY A 15 24.969 -2.365 0.543 1.00 1.14 H new ATOM 244 N TYR A 16 23.552 -2.219 2.772 1.00 45.14 N ATOM 245 CA TYR A 16 22.499 -1.876 3.720 1.00 41.03 C ATOM 246 C TYR A 16 21.340 -1.176 3.017 1.00 42.33 C ATOM 247 O TYR A 16 21.379 -0.948 1.808 1.00 60.45 O ATOM 248 CB TYR A 16 23.054 -0.980 4.828 1.00 31.25 C ATOM 249 CG TYR A 16 22.433 -1.238 6.183 1.00 63.41 C ATOM 250 CD1 TYR A 16 22.645 -2.440 6.848 1.00 74.23 C ATOM 251 CD2 TYR A 16 21.635 -0.281 6.797 1.00 22.53 C ATOM 252 CE1 TYR A 16 22.079 -2.681 8.085 1.00 2.00 C ATOM 253 CE2 TYR A 16 21.067 -0.513 8.035 1.00 60.00 C ATOM 254 CZ TYR A 16 21.292 -1.714 8.675 1.00 73.23 C ATOM 255 OH TYR A 16 20.726 -1.949 9.907 1.00 23.30 O ATOM 0 H TYR A 16 24.455 -1.787 2.970 1.00 45.14 H new ATOM 0 HA TYR A 16 22.127 -2.801 4.162 1.00 41.03 H new ATOM 0 HB2 TYR A 16 24.132 -1.127 4.897 1.00 31.25 H new ATOM 0 HB3 TYR A 16 22.892 0.063 4.556 1.00 31.25 H new ATOM 0 HD1 TYR A 16 23.263 -3.198 6.390 1.00 74.23 H new ATOM 0 HD2 TYR A 16 21.456 0.660 6.298 1.00 22.53 H new ATOM 0 HE1 TYR A 16 22.252 -3.621 8.587 1.00 2.00 H new ATOM 0 HE2 TYR A 16 20.450 0.242 8.499 1.00 60.00 H new ATOM 0 HH TYR A 16 20.203 -1.167 10.181 1.00 23.30 H new ATOM 265 N SER A 17 20.310 -0.835 3.784 1.00 32.43 N ATOM 266 CA SER A 17 19.137 -0.164 3.236 1.00 3.43 C ATOM 267 C SER A 17 18.545 0.809 4.251 1.00 12.31 C ATOM 268 O SER A 17 18.515 0.532 5.450 1.00 11.02 O ATOM 269 CB SER A 17 18.082 -1.191 2.821 1.00 2.23 C ATOM 270 OG SER A 17 18.421 -2.486 3.286 1.00 13.14 O ATOM 0 H SER A 17 20.264 -1.012 4.787 1.00 32.43 H new ATOM 0 HA SER A 17 19.449 0.400 2.357 1.00 3.43 H new ATOM 0 HB2 SER A 17 17.110 -0.901 3.220 1.00 2.23 H new ATOM 0 HB3 SER A 17 17.990 -1.204 1.735 1.00 2.23 H new ATOM 0 HG SER A 17 17.730 -3.124 3.009 1.00 13.14 H new ATOM 276 N VAL A 18 18.074 1.952 3.761 1.00 31.21 N ATOM 277 CA VAL A 18 17.481 2.967 4.624 1.00 72.34 C ATOM 278 C VAL A 18 16.133 3.429 4.082 1.00 73.21 C ATOM 279 O VAL A 18 15.996 3.712 2.892 1.00 15.55 O ATOM 280 CB VAL A 18 18.408 4.188 4.773 1.00 74.22 C ATOM 281 CG1 VAL A 18 18.583 4.892 3.436 1.00 54.11 C ATOM 282 CG2 VAL A 18 17.862 5.145 5.822 1.00 43.23 C ATOM 0 H VAL A 18 18.092 2.198 2.771 1.00 31.21 H new ATOM 0 HA VAL A 18 17.338 2.507 5.602 1.00 72.34 H new ATOM 0 HB VAL A 18 19.387 3.842 5.104 1.00 74.22 H new ATOM 0 HG11 VAL A 18 19.241 5.752 3.561 1.00 54.11 H new ATOM 0 HG12 VAL A 18 19.021 4.201 2.716 1.00 54.11 H new ATOM 0 HG13 VAL A 18 17.612 5.228 3.072 1.00 54.11 H new ATOM 0 HG21 VAL A 18 18.529 6.002 5.915 1.00 43.23 H new ATOM 0 HG22 VAL A 18 16.871 5.487 5.522 1.00 43.23 H new ATOM 0 HG23 VAL A 18 17.794 4.633 6.782 1.00 43.23 H new ATOM 292 N GLU A 19 15.140 3.502 4.964 1.00 45.45 N ATOM 293 CA GLU A 19 13.802 3.930 4.573 1.00 44.13 C ATOM 294 C GLU A 19 13.549 5.375 4.993 1.00 34.00 C ATOM 295 O GLU A 19 13.964 5.802 6.071 1.00 34.03 O ATOM 296 CB GLU A 19 12.747 3.013 5.196 1.00 45.44 C ATOM 297 CG GLU A 19 12.376 3.392 6.620 1.00 44.15 C ATOM 298 CD GLU A 19 13.567 3.369 7.558 1.00 11.14 C ATOM 299 OE1 GLU A 19 14.362 2.409 7.486 1.00 43.34 O ATOM 300 OE2 GLU A 19 13.703 4.312 8.366 1.00 31.01 O ATOM 0 H GLU A 19 15.237 3.271 5.953 1.00 45.45 H new ATOM 0 HA GLU A 19 13.731 3.868 3.487 1.00 44.13 H new ATOM 0 HB2 GLU A 19 11.849 3.033 4.578 1.00 45.44 H new ATOM 0 HB3 GLU A 19 13.117 1.988 5.187 1.00 45.44 H new ATOM 0 HG2 GLU A 19 11.934 4.389 6.624 1.00 44.15 H new ATOM 0 HG3 GLU A 19 11.615 2.705 6.988 1.00 44.15 H new ATOM 307 N LEU A 20 12.865 6.123 4.134 1.00 10.22 N ATOM 308 CA LEU A 20 12.555 7.521 4.415 1.00 64.11 C ATOM 309 C LEU A 20 11.098 7.832 4.091 1.00 73.54 C ATOM 310 O LEU A 20 10.764 8.294 2.999 1.00 32.34 O ATOM 311 CB LEU A 20 13.476 8.439 3.609 1.00 11.32 C ATOM 312 CG LEU A 20 14.951 8.040 3.565 1.00 62.21 C ATOM 313 CD1 LEU A 20 15.744 9.018 2.712 1.00 11.22 C ATOM 314 CD2 LEU A 20 15.527 7.968 4.972 1.00 73.02 C ATOM 0 H LEU A 20 12.515 5.785 3.238 1.00 10.22 H new ATOM 0 HA LEU A 20 12.716 7.697 5.479 1.00 64.11 H new ATOM 0 HB2 LEU A 20 13.103 8.487 2.586 1.00 11.32 H new ATOM 0 HB3 LEU A 20 13.405 9.445 4.022 1.00 11.32 H new ATOM 0 HG LEU A 20 15.026 7.051 3.112 1.00 62.21 H new ATOM 0 HD11 LEU A 20 16.792 8.718 2.693 1.00 11.22 H new ATOM 0 HD12 LEU A 20 15.348 9.019 1.696 1.00 11.22 H new ATOM 0 HD13 LEU A 20 15.662 10.019 3.135 1.00 11.22 H new ATOM 0 HD21 LEU A 20 16.578 7.683 4.921 1.00 73.02 H new ATOM 0 HD22 LEU A 20 15.439 8.943 5.452 1.00 73.02 H new ATOM 0 HD23 LEU A 20 14.978 7.227 5.553 1.00 73.02 H new ATOM 326 N PRO A 21 10.208 7.574 5.061 1.00 53.45 N ATOM 327 CA PRO A 21 8.771 7.822 4.903 1.00 64.42 C ATOM 328 C PRO A 21 8.441 9.309 4.859 1.00 53.52 C ATOM 329 O PRO A 21 7.950 9.876 5.836 1.00 73.25 O ATOM 330 CB PRO A 21 8.161 7.175 6.149 1.00 62.22 C ATOM 331 CG PRO A 21 9.256 7.191 7.159 1.00 41.31 C ATOM 332 CD PRO A 21 10.535 7.023 6.386 1.00 0.02 C ATOM 0 HA PRO A 21 8.388 7.419 3.966 1.00 64.42 H new ATOM 0 HB2 PRO A 21 7.292 7.732 6.499 1.00 62.22 H new ATOM 0 HB3 PRO A 21 7.827 6.158 5.944 1.00 62.22 H new ATOM 0 HG2 PRO A 21 9.258 8.127 7.718 1.00 41.31 H new ATOM 0 HG3 PRO A 21 9.130 6.387 7.884 1.00 41.31 H new ATOM 0 HD2 PRO A 21 11.360 7.561 6.853 1.00 0.02 H new ATOM 0 HD3 PRO A 21 10.832 5.976 6.324 1.00 0.02 H new ATOM 340 N VAL A 22 8.712 9.938 3.719 1.00 3.05 N ATOM 341 CA VAL A 22 8.442 11.360 3.548 1.00 51.43 C ATOM 342 C VAL A 22 9.034 12.174 4.693 1.00 51.53 C ATOM 343 O VAL A 22 8.405 12.347 5.736 1.00 53.23 O ATOM 344 CB VAL A 22 6.929 11.638 3.463 1.00 2.05 C ATOM 345 CG1 VAL A 22 6.668 13.128 3.301 1.00 32.42 C ATOM 346 CG2 VAL A 22 6.307 10.851 2.320 1.00 55.40 C ATOM 0 H VAL A 22 9.118 9.485 2.901 1.00 3.05 H new ATOM 0 HA VAL A 22 8.912 11.661 2.612 1.00 51.43 H new ATOM 0 HB VAL A 22 6.464 11.312 4.393 1.00 2.05 H new ATOM 0 HG11 VAL A 22 5.594 13.305 3.243 1.00 32.42 H new ATOM 0 HG12 VAL A 22 7.078 13.664 4.157 1.00 32.42 H new ATOM 0 HG13 VAL A 22 7.144 13.484 2.387 1.00 32.42 H new ATOM 0 HG21 VAL A 22 5.238 11.059 2.274 1.00 55.40 H new ATOM 0 HG22 VAL A 22 6.774 11.144 1.380 1.00 55.40 H new ATOM 0 HG23 VAL A 22 6.462 9.785 2.485 1.00 55.40 H new ATOM 356 N GLY A 23 10.250 12.674 4.490 1.00 35.22 N ATOM 357 CA GLY A 23 10.907 13.465 5.514 1.00 33.43 C ATOM 358 C GLY A 23 12.191 14.101 5.020 1.00 15.42 C ATOM 359 O GLY A 23 12.663 13.794 3.925 1.00 15.25 O ATOM 0 H GLY A 23 10.791 12.545 3.635 1.00 35.22 H new ATOM 0 HA2 GLY A 23 10.228 14.245 5.858 1.00 33.43 H new ATOM 0 HA3 GLY A 23 11.126 12.831 6.373 1.00 33.43 H new ATOM 363 N ASP A 24 12.756 14.992 5.828 1.00 50.04 N ATOM 364 CA ASP A 24 13.993 15.675 5.466 1.00 31.32 C ATOM 365 C ASP A 24 15.139 15.238 6.373 1.00 3.52 C ATOM 366 O ASP A 24 14.978 15.136 7.589 1.00 14.45 O ATOM 367 CB ASP A 24 13.807 17.191 5.551 1.00 24.52 C ATOM 368 CG ASP A 24 12.750 17.589 6.562 1.00 70.30 C ATOM 369 OD1 ASP A 24 12.964 17.352 7.770 1.00 41.14 O ATOM 370 OD2 ASP A 24 11.709 18.138 6.146 1.00 73.44 O ATOM 0 H ASP A 24 12.378 15.258 6.737 1.00 50.04 H new ATOM 0 HA ASP A 24 14.242 15.405 4.440 1.00 31.32 H new ATOM 0 HB2 ASP A 24 14.756 17.656 5.819 1.00 24.52 H new ATOM 0 HB3 ASP A 24 13.530 17.576 4.570 1.00 24.52 H new ATOM 375 N TYR A 25 16.296 14.982 5.773 1.00 23.54 N ATOM 376 CA TYR A 25 17.469 14.553 6.526 1.00 31.34 C ATOM 377 C TYR A 25 18.687 15.398 6.166 1.00 32.20 C ATOM 378 O TYR A 25 18.794 15.908 5.052 1.00 64.13 O ATOM 379 CB TYR A 25 17.762 13.076 6.257 1.00 35.44 C ATOM 380 CG TYR A 25 16.527 12.203 6.264 1.00 71.21 C ATOM 381 CD1 TYR A 25 15.620 12.240 5.212 1.00 63.32 C ATOM 382 CD2 TYR A 25 16.268 11.340 7.322 1.00 13.20 C ATOM 383 CE1 TYR A 25 14.491 11.445 5.214 1.00 33.51 C ATOM 384 CE2 TYR A 25 15.141 10.540 7.332 1.00 4.30 C ATOM 385 CZ TYR A 25 14.256 10.596 6.276 1.00 12.41 C ATOM 386 OH TYR A 25 13.132 9.802 6.281 1.00 24.45 O ATOM 0 H TYR A 25 16.447 15.064 4.768 1.00 23.54 H new ATOM 0 HA TYR A 25 17.257 14.687 7.587 1.00 31.34 H new ATOM 0 HB2 TYR A 25 18.257 12.983 5.291 1.00 35.44 H new ATOM 0 HB3 TYR A 25 18.460 12.710 7.010 1.00 35.44 H new ATOM 0 HD1 TYR A 25 15.801 12.902 4.378 1.00 63.32 H new ATOM 0 HD2 TYR A 25 16.959 11.294 8.151 1.00 13.20 H new ATOM 0 HE1 TYR A 25 13.796 11.487 4.389 1.00 33.51 H new ATOM 0 HE2 TYR A 25 14.955 9.875 8.162 1.00 4.30 H new ATOM 0 HH TYR A 25 13.116 9.263 7.099 1.00 24.45 H new ATOM 396 N ASN A 26 19.603 15.540 7.119 1.00 53.54 N ATOM 397 CA ASN A 26 20.814 16.323 6.903 1.00 41.40 C ATOM 398 C ASN A 26 22.047 15.425 6.889 1.00 61.01 C ATOM 399 O ASN A 26 21.935 14.199 6.843 1.00 3.13 O ATOM 400 CB ASN A 26 20.958 17.389 7.992 1.00 61.15 C ATOM 401 CG ASN A 26 19.662 18.135 8.245 1.00 24.02 C ATOM 402 OD1 ASN A 26 19.150 18.828 7.366 1.00 33.32 O ATOM 403 ND2 ASN A 26 19.127 17.996 9.452 1.00 12.55 N ATOM 0 H ASN A 26 19.530 15.123 8.047 1.00 53.54 H new ATOM 0 HA ASN A 26 20.732 16.813 5.933 1.00 41.40 H new ATOM 0 HB2 ASN A 26 21.289 16.917 8.917 1.00 61.15 H new ATOM 0 HB3 ASN A 26 21.732 18.099 7.702 1.00 61.15 H new ATOM 0 HD21 ASN A 26 18.256 18.474 9.682 1.00 12.55 H new ATOM 0 HD22 ASN A 26 19.587 17.411 10.149 1.00 12.55 H new ATOM 410 N LEU A 27 23.223 16.043 6.929 1.00 74.52 N ATOM 411 CA LEU A 27 24.478 15.299 6.921 1.00 11.34 C ATOM 412 C LEU A 27 24.601 14.426 8.166 1.00 1.21 C ATOM 413 O LEU A 27 24.817 13.218 8.070 1.00 3.21 O ATOM 414 CB LEU A 27 25.663 16.263 6.841 1.00 23.20 C ATOM 415 CG LEU A 27 27.015 15.703 7.287 1.00 14.10 C ATOM 416 CD1 LEU A 27 28.101 16.071 6.288 1.00 13.01 C ATOM 417 CD2 LEU A 27 27.370 16.212 8.676 1.00 5.22 C ATOM 0 H LEU A 27 23.333 17.056 6.967 1.00 74.52 H new ATOM 0 HA LEU A 27 24.484 14.652 6.044 1.00 11.34 H new ATOM 0 HB2 LEU A 27 25.757 16.607 5.811 1.00 23.20 H new ATOM 0 HB3 LEU A 27 25.436 17.138 7.450 1.00 23.20 H new ATOM 0 HG LEU A 27 26.942 14.616 7.328 1.00 14.10 H new ATOM 0 HD11 LEU A 27 29.056 15.664 6.622 1.00 13.01 H new ATOM 0 HD12 LEU A 27 27.852 15.657 5.311 1.00 13.01 H new ATOM 0 HD13 LEU A 27 28.175 17.156 6.214 1.00 13.01 H new ATOM 0 HD21 LEU A 27 28.335 15.804 8.978 1.00 5.22 H new ATOM 0 HD22 LEU A 27 27.425 17.301 8.662 1.00 5.22 H new ATOM 0 HD23 LEU A 27 26.605 15.897 9.386 1.00 5.22 H new ATOM 429 N SER A 28 24.460 15.046 9.334 1.00 61.34 N ATOM 430 CA SER A 28 24.557 14.325 10.598 1.00 42.42 C ATOM 431 C SER A 28 23.405 13.337 10.750 1.00 53.31 C ATOM 432 O SER A 28 23.584 12.232 11.260 1.00 33.52 O ATOM 433 CB SER A 28 24.559 15.308 11.770 1.00 4.22 C ATOM 434 OG SER A 28 25.863 15.464 12.303 1.00 44.04 O ATOM 0 H SER A 28 24.278 16.045 9.431 1.00 61.34 H new ATOM 0 HA SER A 28 25.493 13.767 10.599 1.00 42.42 H new ATOM 0 HB2 SER A 28 24.180 16.275 11.438 1.00 4.22 H new ATOM 0 HB3 SER A 28 23.885 14.952 12.549 1.00 4.22 H new ATOM 0 HG SER A 28 25.838 16.098 13.050 1.00 44.04 H new ATOM 440 N SER A 29 22.221 13.745 10.303 1.00 1.11 N ATOM 441 CA SER A 29 21.037 12.898 10.392 1.00 2.34 C ATOM 442 C SER A 29 21.145 11.711 9.440 1.00 4.14 C ATOM 443 O SER A 29 20.583 10.645 9.693 1.00 72.35 O ATOM 444 CB SER A 29 19.779 13.709 10.074 1.00 23.11 C ATOM 445 OG SER A 29 18.864 13.676 11.155 1.00 21.15 O ATOM 0 H SER A 29 22.056 14.656 9.876 1.00 1.11 H new ATOM 0 HA SER A 29 20.968 12.518 11.411 1.00 2.34 H new ATOM 0 HB2 SER A 29 20.053 14.741 9.857 1.00 23.11 H new ATOM 0 HB3 SER A 29 19.303 13.311 9.178 1.00 23.11 H new ATOM 0 HG SER A 29 18.070 14.203 10.927 1.00 21.15 H new ATOM 451 N LEU A 30 21.872 11.904 8.345 1.00 23.53 N ATOM 452 CA LEU A 30 22.056 10.849 7.354 1.00 53.44 C ATOM 453 C LEU A 30 22.752 9.639 7.968 1.00 42.33 C ATOM 454 O LEU A 30 22.307 8.504 7.800 1.00 30.52 O ATOM 455 CB LEU A 30 22.869 11.373 6.168 1.00 35.03 C ATOM 456 CG LEU A 30 22.074 11.709 4.906 1.00 40.32 C ATOM 457 CD1 LEU A 30 22.758 12.821 4.125 1.00 31.20 C ATOM 458 CD2 LEU A 30 21.904 10.472 4.037 1.00 31.52 C ATOM 0 H LEU A 30 22.343 12.780 8.121 1.00 23.53 H new ATOM 0 HA LEU A 30 21.072 10.538 7.003 1.00 53.44 H new ATOM 0 HB2 LEU A 30 23.403 12.269 6.486 1.00 35.03 H new ATOM 0 HB3 LEU A 30 23.622 10.628 5.911 1.00 35.03 H new ATOM 0 HG LEU A 30 21.085 12.057 5.205 1.00 40.32 H new ATOM 0 HD11 LEU A 30 22.178 13.047 3.230 1.00 31.20 H new ATOM 0 HD12 LEU A 30 22.827 13.713 4.747 1.00 31.20 H new ATOM 0 HD13 LEU A 30 23.759 12.501 3.837 1.00 31.20 H new ATOM 0 HD21 LEU A 30 21.336 10.730 3.143 1.00 31.52 H new ATOM 0 HD22 LEU A 30 22.884 10.094 3.747 1.00 31.52 H new ATOM 0 HD23 LEU A 30 21.370 9.704 4.597 1.00 31.52 H new ATOM 470 N ILE A 31 23.845 9.891 8.680 1.00 21.23 N ATOM 471 CA ILE A 31 24.601 8.822 9.322 1.00 14.20 C ATOM 472 C ILE A 31 23.883 8.312 10.567 1.00 12.51 C ATOM 473 O ILE A 31 23.985 7.137 10.918 1.00 71.14 O ATOM 474 CB ILE A 31 26.015 9.289 9.714 1.00 51.43 C ATOM 475 CG1 ILE A 31 26.795 9.723 8.471 1.00 52.21 C ATOM 476 CG2 ILE A 31 26.754 8.182 10.450 1.00 71.34 C ATOM 477 CD1 ILE A 31 26.903 11.224 8.319 1.00 54.35 C ATOM 0 H ILE A 31 24.227 10.825 8.827 1.00 21.23 H new ATOM 0 HA ILE A 31 24.683 8.014 8.596 1.00 14.20 H new ATOM 0 HB ILE A 31 25.926 10.146 10.382 1.00 51.43 H new ATOM 0 HG12 ILE A 31 27.797 9.297 8.514 1.00 52.21 H new ATOM 0 HG13 ILE A 31 26.311 9.310 7.586 1.00 52.21 H new ATOM 0 HG21 ILE A 31 27.752 8.528 10.720 1.00 71.34 H new ATOM 0 HG22 ILE A 31 26.205 7.916 11.353 1.00 71.34 H new ATOM 0 HG23 ILE A 31 26.836 7.307 9.805 1.00 71.34 H new ATOM 0 HD11 ILE A 31 27.468 11.459 7.417 1.00 54.35 H new ATOM 0 HD12 ILE A 31 25.905 11.655 8.244 1.00 54.35 H new ATOM 0 HD13 ILE A 31 27.414 11.642 9.186 1.00 54.35 H new ATOM 489 N SER A 32 23.155 9.205 11.231 1.00 71.12 N ATOM 490 CA SER A 32 22.421 8.846 12.439 1.00 53.34 C ATOM 491 C SER A 32 21.504 7.653 12.183 1.00 3.53 C ATOM 492 O SER A 32 21.242 6.854 13.082 1.00 5.35 O ATOM 493 CB SER A 32 21.599 10.038 12.934 1.00 22.03 C ATOM 494 OG SER A 32 21.986 10.414 14.245 1.00 53.02 O ATOM 0 H SER A 32 23.058 10.182 10.953 1.00 71.12 H new ATOM 0 HA SER A 32 23.144 8.568 13.206 1.00 53.34 H new ATOM 0 HB2 SER A 32 21.731 10.881 12.256 1.00 22.03 H new ATOM 0 HB3 SER A 32 20.539 9.783 12.923 1.00 22.03 H new ATOM 0 HG SER A 32 21.448 11.179 14.538 1.00 53.02 H new ATOM 500 N ARG A 33 21.020 7.541 10.951 1.00 60.41 N ATOM 501 CA ARG A 33 20.132 6.447 10.576 1.00 31.22 C ATOM 502 C ARG A 33 20.928 5.258 10.046 1.00 75.24 C ATOM 503 O ARG A 33 20.440 4.128 10.030 1.00 11.55 O ATOM 504 CB ARG A 33 19.129 6.915 9.520 1.00 32.14 C ATOM 505 CG ARG A 33 17.681 6.633 9.888 1.00 62.50 C ATOM 506 CD ARG A 33 16.973 7.890 10.367 1.00 33.22 C ATOM 507 NE ARG A 33 15.928 7.591 11.343 1.00 3.14 N ATOM 508 CZ ARG A 33 15.148 8.516 11.891 1.00 53.13 C ATOM 509 NH1 ARG A 33 15.293 9.792 11.559 1.00 74.42 N ATOM 510 NH2 ARG A 33 14.219 8.166 12.772 1.00 63.13 N ATOM 0 H ARG A 33 21.228 8.194 10.195 1.00 60.41 H new ATOM 0 HA ARG A 33 19.590 6.131 11.467 1.00 31.22 H new ATOM 0 HB2 ARG A 33 19.253 7.986 9.363 1.00 32.14 H new ATOM 0 HB3 ARG A 33 19.356 6.426 8.573 1.00 32.14 H new ATOM 0 HG2 ARG A 33 17.157 6.226 9.023 1.00 62.50 H new ATOM 0 HG3 ARG A 33 17.644 5.873 10.669 1.00 62.50 H new ATOM 0 HD2 ARG A 33 17.701 8.569 10.811 1.00 33.22 H new ATOM 0 HD3 ARG A 33 16.535 8.407 9.513 1.00 33.22 H new ATOM 0 HE ARG A 33 15.790 6.619 11.619 1.00 3.14 H new ATOM 0 HH11 ARG A 33 16.005 10.065 10.881 1.00 74.42 H new ATOM 0 HH12 ARG A 33 14.693 10.500 11.981 1.00 74.42 H new ATOM 0 HH21 ARG A 33 14.103 7.186 13.029 1.00 63.13 H new ATOM 0 HH22 ARG A 33 13.621 8.877 13.192 1.00 63.13 H new ATOM 524 N GLY A 34 22.156 5.521 9.610 1.00 0.11 N ATOM 525 CA GLY A 34 22.999 4.464 9.084 1.00 21.50 C ATOM 526 C GLY A 34 23.276 4.625 7.602 1.00 13.45 C ATOM 527 O GLY A 34 23.210 3.659 6.843 1.00 45.41 O ATOM 0 H GLY A 34 22.582 6.448 9.612 1.00 0.11 H new ATOM 0 HA2 GLY A 34 23.944 4.453 9.628 1.00 21.50 H new ATOM 0 HA3 GLY A 34 22.519 3.501 9.258 1.00 21.50 H new ATOM 531 N ALA A 35 23.584 5.851 7.190 1.00 32.41 N ATOM 532 CA ALA A 35 23.871 6.136 5.790 1.00 64.42 C ATOM 533 C ALA A 35 24.784 7.350 5.653 1.00 72.32 C ATOM 534 O ALA A 35 24.435 8.452 6.078 1.00 45.11 O ATOM 535 CB ALA A 35 22.578 6.355 5.020 1.00 52.45 C ATOM 0 H ALA A 35 23.641 6.662 7.806 1.00 32.41 H new ATOM 0 HA ALA A 35 24.390 5.275 5.368 1.00 64.42 H new ATOM 0 HB1 ALA A 35 22.808 6.567 3.976 1.00 52.45 H new ATOM 0 HB2 ALA A 35 21.962 5.458 5.081 1.00 52.45 H new ATOM 0 HB3 ALA A 35 22.036 7.197 5.450 1.00 52.45 H new ATOM 541 N LEU A 36 25.953 7.141 5.058 1.00 60.11 N ATOM 542 CA LEU A 36 26.917 8.219 4.865 1.00 12.03 C ATOM 543 C LEU A 36 26.524 9.095 3.680 1.00 63.12 C ATOM 544 O LEU A 36 26.053 8.598 2.658 1.00 42.23 O ATOM 545 CB LEU A 36 28.318 7.645 4.648 1.00 73.51 C ATOM 546 CG LEU A 36 29.449 8.325 5.419 1.00 44.35 C ATOM 547 CD1 LEU A 36 29.426 9.828 5.185 1.00 35.12 C ATOM 548 CD2 LEU A 36 29.346 8.013 6.904 1.00 23.23 C ATOM 0 H LEU A 36 26.256 6.235 4.701 1.00 60.11 H new ATOM 0 HA LEU A 36 26.920 8.836 5.764 1.00 12.03 H new ATOM 0 HB2 LEU A 36 28.303 6.590 4.921 1.00 73.51 H new ATOM 0 HB3 LEU A 36 28.549 7.696 3.584 1.00 73.51 H new ATOM 0 HG LEU A 36 30.398 7.935 5.052 1.00 44.35 H new ATOM 0 HD11 LEU A 36 30.238 10.295 5.742 1.00 35.12 H new ATOM 0 HD12 LEU A 36 29.550 10.033 4.122 1.00 35.12 H new ATOM 0 HD13 LEU A 36 28.473 10.234 5.524 1.00 35.12 H new ATOM 0 HD21 LEU A 36 30.160 8.506 7.437 1.00 23.23 H new ATOM 0 HD22 LEU A 36 28.391 8.374 7.286 1.00 23.23 H new ATOM 0 HD23 LEU A 36 29.413 6.936 7.055 1.00 23.23 H new ATOM 560 N ASN A 37 26.724 10.401 3.824 1.00 61.02 N ATOM 561 CA ASN A 37 26.393 11.346 2.764 1.00 54.41 C ATOM 562 C ASN A 37 27.012 10.916 1.438 1.00 61.02 C ATOM 563 O ASN A 37 26.344 10.904 0.404 1.00 60.13 O ATOM 564 CB ASN A 37 26.877 12.750 3.134 1.00 34.21 C ATOM 565 CG ASN A 37 28.247 12.736 3.784 1.00 15.25 C ATOM 566 OD1 ASN A 37 28.370 12.535 4.993 1.00 43.13 O ATOM 567 ND2 ASN A 37 29.284 12.951 2.983 1.00 13.15 N ATOM 0 H ASN A 37 27.114 10.829 4.664 1.00 61.02 H new ATOM 0 HA ASN A 37 25.309 11.360 2.651 1.00 54.41 H new ATOM 0 HB2 ASN A 37 26.910 13.368 2.237 1.00 34.21 H new ATOM 0 HB3 ASN A 37 26.160 13.211 3.813 1.00 34.21 H new ATOM 0 HD21 ASN A 37 30.230 12.954 3.364 1.00 13.15 H new ATOM 0 HD22 ASN A 37 29.134 13.113 1.987 1.00 13.15 H new ATOM 574 N ASP A 38 28.292 10.563 1.476 1.00 2.11 N ATOM 575 CA ASP A 38 29.002 10.130 0.278 1.00 2.11 C ATOM 576 C ASP A 38 29.279 8.631 0.323 1.00 63.32 C ATOM 577 O ASP A 38 30.320 8.196 0.816 1.00 3.20 O ATOM 578 CB ASP A 38 30.316 10.900 0.132 1.00 74.04 C ATOM 579 CG ASP A 38 31.022 11.097 1.458 1.00 1.43 C ATOM 580 OD1 ASP A 38 30.881 10.226 2.341 1.00 75.41 O ATOM 581 OD2 ASP A 38 31.716 12.124 1.614 1.00 11.25 O ATOM 0 H ASP A 38 28.859 10.568 2.324 1.00 2.11 H new ATOM 0 HA ASP A 38 28.370 10.339 -0.585 1.00 2.11 H new ATOM 0 HB2 ASP A 38 30.975 10.363 -0.551 1.00 74.04 H new ATOM 0 HB3 ASP A 38 30.116 11.873 -0.318 1.00 74.04 H new ATOM 586 N ASP A 39 28.341 7.845 -0.194 1.00 50.32 N ATOM 587 CA ASP A 39 28.484 6.394 -0.213 1.00 51.14 C ATOM 588 C ASP A 39 27.326 5.744 -0.964 1.00 71.03 C ATOM 589 O ASP A 39 27.503 4.732 -1.643 1.00 73.44 O ATOM 590 CB ASP A 39 28.553 5.848 1.214 1.00 42.14 C ATOM 591 CG ASP A 39 28.476 4.335 1.259 1.00 65.32 C ATOM 592 OD1 ASP A 39 28.919 3.688 0.286 1.00 52.43 O ATOM 593 OD2 ASP A 39 27.975 3.796 2.268 1.00 51.44 O ATOM 0 H ASP A 39 27.473 8.188 -0.606 1.00 50.32 H new ATOM 0 HA ASP A 39 29.412 6.152 -0.731 1.00 51.14 H new ATOM 0 HB2 ASP A 39 29.482 6.176 1.681 1.00 42.14 H new ATOM 0 HB3 ASP A 39 27.736 6.268 1.801 1.00 42.14 H new ATOM 598 N LEU A 40 26.141 6.331 -0.837 1.00 42.20 N ATOM 599 CA LEU A 40 24.953 5.809 -1.503 1.00 31.22 C ATOM 600 C LEU A 40 25.235 5.522 -2.974 1.00 71.11 C ATOM 601 O LEU A 40 25.660 6.405 -3.719 1.00 15.22 O ATOM 602 CB LEU A 40 23.796 6.802 -1.378 1.00 21.34 C ATOM 603 CG LEU A 40 22.779 6.511 -0.274 1.00 14.22 C ATOM 604 CD1 LEU A 40 23.482 6.299 1.058 1.00 14.50 C ATOM 605 CD2 LEU A 40 21.766 7.642 -0.171 1.00 0.45 C ATOM 0 H LEU A 40 25.977 7.169 -0.279 1.00 42.20 H new ATOM 0 HA LEU A 40 24.675 4.874 -1.016 1.00 31.22 H new ATOM 0 HB2 LEU A 40 24.212 7.795 -1.208 1.00 21.34 H new ATOM 0 HB3 LEU A 40 23.268 6.836 -2.331 1.00 21.34 H new ATOM 0 HG LEU A 40 22.246 5.595 -0.529 1.00 14.22 H new ATOM 0 HD11 LEU A 40 22.742 6.093 1.831 1.00 14.50 H new ATOM 0 HD12 LEU A 40 24.167 5.455 0.978 1.00 14.50 H new ATOM 0 HD13 LEU A 40 24.042 7.197 1.321 1.00 14.50 H new ATOM 0 HD21 LEU A 40 21.050 7.418 0.620 1.00 0.45 H new ATOM 0 HD22 LEU A 40 22.283 8.573 0.061 1.00 0.45 H new ATOM 0 HD23 LEU A 40 21.239 7.746 -1.119 1.00 0.45 H new ATOM 617 N SER A 41 24.994 4.282 -3.387 1.00 33.54 N ATOM 618 CA SER A 41 25.223 3.878 -4.769 1.00 22.52 C ATOM 619 C SER A 41 23.935 3.367 -5.406 1.00 72.55 C ATOM 620 O SER A 41 23.865 3.171 -6.620 1.00 13.02 O ATOM 621 CB SER A 41 26.302 2.795 -4.833 1.00 71.45 C ATOM 622 OG SER A 41 27.561 3.304 -4.430 1.00 0.33 O ATOM 0 H SER A 41 24.640 3.539 -2.784 1.00 33.54 H new ATOM 0 HA SER A 41 25.561 4.752 -5.326 1.00 22.52 H new ATOM 0 HB2 SER A 41 26.022 1.960 -4.191 1.00 71.45 H new ATOM 0 HB3 SER A 41 26.372 2.407 -5.849 1.00 71.45 H new ATOM 0 HG SER A 41 27.474 3.738 -3.555 1.00 0.33 H new ATOM 628 N SER A 42 22.917 3.152 -4.579 1.00 11.21 N ATOM 629 CA SER A 42 21.631 2.660 -5.060 1.00 2.21 C ATOM 630 C SER A 42 20.480 3.374 -4.359 1.00 14.22 C ATOM 631 O SER A 42 20.605 3.798 -3.210 1.00 72.31 O ATOM 632 CB SER A 42 21.523 1.151 -4.836 1.00 34.24 C ATOM 633 OG SER A 42 21.320 0.467 -6.060 1.00 20.51 O ATOM 0 H SER A 42 22.958 3.311 -3.572 1.00 11.21 H new ATOM 0 HA SER A 42 21.567 2.867 -6.128 1.00 2.21 H new ATOM 0 HB2 SER A 42 22.432 0.785 -4.358 1.00 34.24 H new ATOM 0 HB3 SER A 42 20.698 0.939 -4.156 1.00 34.24 H new ATOM 0 HG SER A 42 21.659 1.013 -6.800 1.00 20.51 H new ATOM 639 N ALA A 43 19.358 3.504 -5.059 1.00 72.25 N ATOM 640 CA ALA A 43 18.183 4.164 -4.505 1.00 13.21 C ATOM 641 C ALA A 43 16.913 3.720 -5.223 1.00 60.21 C ATOM 642 O ALA A 43 16.701 4.049 -6.390 1.00 64.45 O ATOM 643 CB ALA A 43 18.338 5.676 -4.589 1.00 74.53 C ATOM 0 H ALA A 43 19.238 3.160 -6.012 1.00 72.25 H new ATOM 0 HA ALA A 43 18.096 3.876 -3.457 1.00 13.21 H new ATOM 0 HB1 ALA A 43 17.453 6.156 -4.172 1.00 74.53 H new ATOM 0 HB2 ALA A 43 19.218 5.983 -4.024 1.00 74.53 H new ATOM 0 HB3 ALA A 43 18.454 5.972 -5.631 1.00 74.53 H new ATOM 649 N ARG A 44 16.072 2.970 -4.518 1.00 54.33 N ATOM 650 CA ARG A 44 14.824 2.479 -5.090 1.00 14.21 C ATOM 651 C ARG A 44 13.630 3.246 -4.528 1.00 74.42 C ATOM 652 O ARG A 44 13.394 3.250 -3.320 1.00 32.41 O ATOM 653 CB ARG A 44 14.662 0.984 -4.808 1.00 1.41 C ATOM 654 CG ARG A 44 13.472 0.356 -5.515 1.00 43.20 C ATOM 655 CD ARG A 44 12.311 0.132 -4.559 1.00 61.52 C ATOM 656 NE ARG A 44 11.457 -0.973 -4.986 1.00 32.41 N ATOM 657 CZ ARG A 44 10.570 -0.879 -5.971 1.00 4.03 C ATOM 658 NH1 ARG A 44 10.423 0.263 -6.627 1.00 40.52 N ATOM 659 NH2 ARG A 44 9.829 -1.929 -6.301 1.00 24.01 N ATOM 0 H ARG A 44 16.232 2.689 -3.551 1.00 54.33 H new ATOM 0 HA ARG A 44 14.861 2.636 -6.168 1.00 14.21 H new ATOM 0 HB2 ARG A 44 15.571 0.465 -5.113 1.00 1.41 H new ATOM 0 HB3 ARG A 44 14.555 0.835 -3.733 1.00 1.41 H new ATOM 0 HG2 ARG A 44 13.152 1.001 -6.333 1.00 43.20 H new ATOM 0 HG3 ARG A 44 13.770 -0.595 -5.956 1.00 43.20 H new ATOM 0 HD2 ARG A 44 12.698 -0.073 -3.561 1.00 61.52 H new ATOM 0 HD3 ARG A 44 11.717 1.043 -4.490 1.00 61.52 H new ATOM 0 HE ARG A 44 11.546 -1.866 -4.501 1.00 32.41 H new ATOM 0 HH11 ARG A 44 10.991 1.072 -6.376 1.00 40.52 H new ATOM 0 HH12 ARG A 44 9.742 0.333 -7.383 1.00 40.52 H new ATOM 0 HH21 ARG A 44 9.940 -2.810 -5.798 1.00 24.01 H new ATOM 0 HH22 ARG A 44 9.148 -1.856 -7.057 1.00 24.01 H new ATOM 673 N VAL A 45 12.880 3.894 -5.413 1.00 54.25 N ATOM 674 CA VAL A 45 11.710 4.664 -5.007 1.00 31.33 C ATOM 675 C VAL A 45 10.428 4.045 -5.553 1.00 10.20 C ATOM 676 O VAL A 45 10.364 3.599 -6.699 1.00 13.13 O ATOM 677 CB VAL A 45 11.806 6.125 -5.484 1.00 13.02 C ATOM 678 CG1 VAL A 45 13.162 6.715 -5.128 1.00 14.32 C ATOM 679 CG2 VAL A 45 11.553 6.214 -6.981 1.00 71.23 C ATOM 0 H VAL A 45 13.062 3.901 -6.417 1.00 54.25 H new ATOM 0 HA VAL A 45 11.683 4.647 -3.917 1.00 31.33 H new ATOM 0 HB VAL A 45 11.038 6.707 -4.974 1.00 13.02 H new ATOM 0 HG11 VAL A 45 13.211 7.748 -5.473 1.00 14.32 H new ATOM 0 HG12 VAL A 45 13.299 6.687 -4.047 1.00 14.32 H new ATOM 0 HG13 VAL A 45 13.949 6.134 -5.609 1.00 14.32 H new ATOM 0 HG21 VAL A 45 11.625 7.254 -7.301 1.00 71.23 H new ATOM 0 HG22 VAL A 45 12.296 5.619 -7.512 1.00 71.23 H new ATOM 0 HG23 VAL A 45 10.556 5.833 -7.205 1.00 71.23 H new ATOM 689 N PRO A 46 9.381 4.017 -4.715 1.00 51.12 N ATOM 690 CA PRO A 46 8.080 3.457 -5.093 1.00 20.55 C ATOM 691 C PRO A 46 7.356 4.315 -6.125 1.00 23.44 C ATOM 692 O PRO A 46 7.827 5.391 -6.491 1.00 4.21 O ATOM 693 CB PRO A 46 7.305 3.440 -3.773 1.00 33.32 C ATOM 694 CG PRO A 46 7.932 4.512 -2.951 1.00 44.20 C ATOM 695 CD PRO A 46 9.386 4.531 -3.335 1.00 41.02 C ATOM 0 HA PRO A 46 8.178 2.476 -5.559 1.00 20.55 H new ATOM 0 HB2 PRO A 46 6.245 3.634 -3.934 1.00 33.32 H new ATOM 0 HB3 PRO A 46 7.381 2.470 -3.282 1.00 33.32 H new ATOM 0 HG2 PRO A 46 7.464 5.477 -3.146 1.00 44.20 H new ATOM 0 HG3 PRO A 46 7.812 4.309 -1.887 1.00 44.20 H new ATOM 0 HD2 PRO A 46 9.802 5.537 -3.282 1.00 41.02 H new ATOM 0 HD3 PRO A 46 9.984 3.903 -2.675 1.00 41.02 H new ATOM 703 N SER A 47 6.209 3.831 -6.590 1.00 12.14 N ATOM 704 CA SER A 47 5.422 4.553 -7.582 1.00 74.14 C ATOM 705 C SER A 47 4.615 5.671 -6.928 1.00 62.32 C ATOM 706 O SER A 47 3.711 5.416 -6.134 1.00 11.11 O ATOM 707 CB SER A 47 4.483 3.593 -8.316 1.00 15.15 C ATOM 708 OG SER A 47 5.055 3.151 -9.534 1.00 53.44 O ATOM 0 H SER A 47 5.804 2.942 -6.296 1.00 12.14 H new ATOM 0 HA SER A 47 6.110 4.998 -8.301 1.00 74.14 H new ATOM 0 HB2 SER A 47 4.266 2.735 -7.680 1.00 15.15 H new ATOM 0 HB3 SER A 47 3.534 4.090 -8.516 1.00 15.15 H new ATOM 0 HG SER A 47 4.436 2.538 -9.983 1.00 53.44 H new ATOM 714 N GLY A 48 4.951 6.911 -7.269 1.00 13.51 N ATOM 715 CA GLY A 48 4.249 8.051 -6.706 1.00 63.42 C ATOM 716 C GLY A 48 4.992 8.670 -5.539 1.00 41.11 C ATOM 717 O GLY A 48 4.379 9.103 -4.563 1.00 12.53 O ATOM 0 H GLY A 48 5.696 7.147 -7.924 1.00 13.51 H new ATOM 0 HA2 GLY A 48 4.104 8.804 -7.481 1.00 63.42 H new ATOM 0 HA3 GLY A 48 3.258 7.738 -6.377 1.00 63.42 H new ATOM 721 N LEU A 49 6.316 8.711 -5.637 1.00 42.35 N ATOM 722 CA LEU A 49 7.145 9.281 -4.580 1.00 54.05 C ATOM 723 C LEU A 49 8.249 10.155 -5.166 1.00 24.23 C ATOM 724 O LEU A 49 8.936 9.757 -6.107 1.00 54.24 O ATOM 725 CB LEU A 49 7.757 8.167 -3.729 1.00 14.41 C ATOM 726 CG LEU A 49 8.063 8.526 -2.274 1.00 60.04 C ATOM 727 CD1 LEU A 49 7.759 7.350 -1.359 1.00 51.13 C ATOM 728 CD2 LEU A 49 9.515 8.958 -2.126 1.00 54.21 C ATOM 0 H LEU A 49 6.839 8.356 -6.438 1.00 42.35 H new ATOM 0 HA LEU A 49 6.511 9.904 -3.950 1.00 54.05 H new ATOM 0 HB2 LEU A 49 7.077 7.315 -3.737 1.00 14.41 H new ATOM 0 HB3 LEU A 49 8.682 7.840 -4.204 1.00 14.41 H new ATOM 0 HG LEU A 49 7.425 9.360 -1.983 1.00 60.04 H new ATOM 0 HD11 LEU A 49 7.983 7.624 -0.328 1.00 51.13 H new ATOM 0 HD12 LEU A 49 6.705 7.086 -1.444 1.00 51.13 H new ATOM 0 HD13 LEU A 49 8.371 6.496 -1.649 1.00 51.13 H new ATOM 0 HD21 LEU A 49 9.715 9.210 -1.085 1.00 54.21 H new ATOM 0 HD22 LEU A 49 10.170 8.144 -2.435 1.00 54.21 H new ATOM 0 HD23 LEU A 49 9.701 9.831 -2.752 1.00 54.21 H new ATOM 740 N ARG A 50 8.417 11.346 -4.600 1.00 71.33 N ATOM 741 CA ARG A 50 9.439 12.275 -5.065 1.00 42.34 C ATOM 742 C ARG A 50 10.573 12.388 -4.051 1.00 3.41 C ATOM 743 O ARG A 50 10.373 12.177 -2.854 1.00 4.21 O ATOM 744 CB ARG A 50 8.828 13.655 -5.318 1.00 74.53 C ATOM 745 CG ARG A 50 8.234 13.812 -6.709 1.00 33.24 C ATOM 746 CD ARG A 50 7.717 15.224 -6.937 1.00 71.52 C ATOM 747 NE ARG A 50 6.908 15.698 -5.818 1.00 1.33 N ATOM 748 CZ ARG A 50 6.538 16.965 -5.663 1.00 60.34 C ATOM 749 NH1 ARG A 50 6.902 17.878 -6.553 1.00 0.23 N ATOM 750 NH2 ARG A 50 5.802 17.319 -4.618 1.00 52.40 N ATOM 0 H ARG A 50 7.858 11.690 -3.819 1.00 71.33 H new ATOM 0 HA ARG A 50 9.847 11.889 -5.999 1.00 42.34 H new ATOM 0 HB2 ARG A 50 8.050 13.840 -4.577 1.00 74.53 H new ATOM 0 HB3 ARG A 50 9.595 14.415 -5.172 1.00 74.53 H new ATOM 0 HG2 ARG A 50 8.990 13.575 -7.458 1.00 33.24 H new ATOM 0 HG3 ARG A 50 7.420 13.099 -6.841 1.00 33.24 H new ATOM 0 HD2 ARG A 50 8.560 15.899 -7.086 1.00 71.52 H new ATOM 0 HD3 ARG A 50 7.123 15.249 -7.850 1.00 71.52 H new ATOM 0 HE ARG A 50 6.610 15.020 -5.117 1.00 1.33 H new ATOM 0 HH11 ARG A 50 7.467 17.608 -7.358 1.00 0.23 H new ATOM 0 HH12 ARG A 50 6.617 18.850 -6.432 1.00 0.23 H new ATOM 0 HH21 ARG A 50 5.519 16.619 -3.932 1.00 52.40 H new ATOM 0 HH22 ARG A 50 5.519 18.292 -4.500 1.00 52.40 H new ATOM 764 N LEU A 51 11.764 12.722 -4.537 1.00 33.00 N ATOM 765 CA LEU A 51 12.931 12.863 -3.673 1.00 72.21 C ATOM 766 C LEU A 51 13.874 13.938 -4.203 1.00 11.10 C ATOM 767 O LEU A 51 13.874 14.244 -5.395 1.00 12.23 O ATOM 768 CB LEU A 51 13.671 11.529 -3.562 1.00 23.14 C ATOM 769 CG LEU A 51 12.877 10.368 -2.962 1.00 55.13 C ATOM 770 CD1 LEU A 51 12.203 9.559 -4.060 1.00 11.40 C ATOM 771 CD2 LEU A 51 13.782 9.480 -2.122 1.00 20.51 C ATOM 0 H LEU A 51 11.947 12.900 -5.525 1.00 33.00 H new ATOM 0 HA LEU A 51 12.586 13.164 -2.684 1.00 72.21 H new ATOM 0 HB2 LEU A 51 14.005 11.238 -4.558 1.00 23.14 H new ATOM 0 HB3 LEU A 51 14.565 11.682 -2.958 1.00 23.14 H new ATOM 0 HG LEU A 51 12.103 10.779 -2.314 1.00 55.13 H new ATOM 0 HD11 LEU A 51 11.643 8.737 -3.615 1.00 11.40 H new ATOM 0 HD12 LEU A 51 11.523 10.201 -4.619 1.00 11.40 H new ATOM 0 HD13 LEU A 51 12.960 9.158 -4.734 1.00 11.40 H new ATOM 0 HD21 LEU A 51 13.200 8.659 -1.703 1.00 20.51 H new ATOM 0 HD22 LEU A 51 14.579 9.077 -2.747 1.00 20.51 H new ATOM 0 HD23 LEU A 51 14.217 10.066 -1.313 1.00 20.51 H new ATOM 783 N GLU A 52 14.678 14.506 -3.309 1.00 73.11 N ATOM 784 CA GLU A 52 15.627 15.546 -3.688 1.00 53.11 C ATOM 785 C GLU A 52 16.992 15.294 -3.054 1.00 13.50 C ATOM 786 O GLU A 52 17.085 14.874 -1.901 1.00 10.34 O ATOM 787 CB GLU A 52 15.104 16.922 -3.270 1.00 34.22 C ATOM 788 CG GLU A 52 13.959 17.426 -4.133 1.00 31.15 C ATOM 789 CD GLU A 52 13.231 18.601 -3.508 1.00 62.41 C ATOM 790 OE1 GLU A 52 13.359 18.792 -2.280 1.00 75.15 O ATOM 791 OE2 GLU A 52 12.535 19.328 -4.246 1.00 53.02 O ATOM 0 H GLU A 52 14.691 14.263 -2.318 1.00 73.11 H new ATOM 0 HA GLU A 52 15.739 15.522 -4.772 1.00 53.11 H new ATOM 0 HB2 GLU A 52 14.773 16.876 -2.233 1.00 34.22 H new ATOM 0 HB3 GLU A 52 15.923 17.640 -3.311 1.00 34.22 H new ATOM 0 HG2 GLU A 52 14.346 17.720 -5.108 1.00 31.15 H new ATOM 0 HG3 GLU A 52 13.252 16.614 -4.303 1.00 31.15 H new ATOM 798 N VAL A 53 18.049 15.554 -3.817 1.00 10.13 N ATOM 799 CA VAL A 53 19.409 15.357 -3.331 1.00 23.24 C ATOM 800 C VAL A 53 20.148 16.685 -3.209 1.00 53.13 C ATOM 801 O VAL A 53 20.116 17.511 -4.122 1.00 64.31 O ATOM 802 CB VAL A 53 20.207 14.422 -4.259 1.00 31.41 C ATOM 803 CG1 VAL A 53 21.593 14.160 -3.690 1.00 62.32 C ATOM 804 CG2 VAL A 53 19.455 13.117 -4.474 1.00 73.01 C ATOM 0 H VAL A 53 17.989 15.902 -4.774 1.00 10.13 H new ATOM 0 HA VAL A 53 19.329 14.898 -2.346 1.00 23.24 H new ATOM 0 HB VAL A 53 20.324 14.912 -5.226 1.00 31.41 H new ATOM 0 HG11 VAL A 53 22.142 13.498 -4.359 1.00 62.32 H new ATOM 0 HG12 VAL A 53 22.130 15.103 -3.592 1.00 62.32 H new ATOM 0 HG13 VAL A 53 21.501 13.691 -2.710 1.00 62.32 H new ATOM 0 HG21 VAL A 53 20.033 12.468 -5.132 1.00 73.01 H new ATOM 0 HG22 VAL A 53 19.306 12.621 -3.515 1.00 73.01 H new ATOM 0 HG23 VAL A 53 18.487 13.326 -4.929 1.00 73.01 H new ATOM 814 N PHE A 54 20.812 16.885 -2.076 1.00 64.11 N ATOM 815 CA PHE A 54 21.559 18.114 -1.834 1.00 62.23 C ATOM 816 C PHE A 54 23.012 17.807 -1.481 1.00 14.01 C ATOM 817 O PHE A 54 23.317 17.416 -0.355 1.00 21.32 O ATOM 818 CB PHE A 54 20.907 18.919 -0.708 1.00 25.41 C ATOM 819 CG PHE A 54 19.412 19.001 -0.818 1.00 32.11 C ATOM 820 CD1 PHE A 54 18.811 19.370 -2.011 1.00 32.34 C ATOM 821 CD2 PHE A 54 18.607 18.710 0.272 1.00 72.13 C ATOM 822 CE1 PHE A 54 17.435 19.446 -2.115 1.00 53.13 C ATOM 823 CE2 PHE A 54 17.230 18.784 0.173 1.00 43.22 C ATOM 824 CZ PHE A 54 16.644 19.154 -1.022 1.00 35.13 C ATOM 0 H PHE A 54 20.848 16.212 -1.311 1.00 64.11 H new ATOM 0 HA PHE A 54 21.544 18.705 -2.749 1.00 62.23 H new ATOM 0 HB2 PHE A 54 21.169 18.468 0.249 1.00 25.41 H new ATOM 0 HB3 PHE A 54 21.319 19.928 -0.708 1.00 25.41 H new ATOM 0 HD1 PHE A 54 19.425 19.601 -2.869 1.00 32.34 H new ATOM 0 HD2 PHE A 54 19.060 18.422 1.209 1.00 72.13 H new ATOM 0 HE1 PHE A 54 16.979 19.734 -3.051 1.00 53.13 H new ATOM 0 HE2 PHE A 54 16.613 18.553 1.029 1.00 43.22 H new ATOM 0 HZ PHE A 54 15.569 19.215 -1.101 1.00 35.13 H new ATOM 834 N GLN A 55 23.901 17.987 -2.452 1.00 3.44 N ATOM 835 CA GLN A 55 25.321 17.729 -2.244 1.00 21.45 C ATOM 836 C GLN A 55 25.831 18.457 -1.004 1.00 62.42 C ATOM 837 O GLN A 55 26.517 17.871 -0.166 1.00 5.00 O ATOM 838 CB GLN A 55 26.125 18.161 -3.471 1.00 2.32 C ATOM 839 CG GLN A 55 27.149 17.132 -3.921 1.00 72.35 C ATOM 840 CD GLN A 55 27.277 17.058 -5.430 1.00 43.22 C ATOM 841 OE1 GLN A 55 27.220 18.077 -6.120 1.00 25.40 O ATOM 842 NE2 GLN A 55 27.452 15.849 -5.952 1.00 11.54 N ATOM 0 H GLN A 55 23.664 18.310 -3.390 1.00 3.44 H new ATOM 0 HA GLN A 55 25.451 16.657 -2.093 1.00 21.45 H new ATOM 0 HB2 GLN A 55 25.438 18.361 -4.293 1.00 2.32 H new ATOM 0 HB3 GLN A 55 26.637 19.097 -3.248 1.00 2.32 H new ATOM 0 HG2 GLN A 55 28.119 17.378 -3.489 1.00 72.35 H new ATOM 0 HG3 GLN A 55 26.868 16.152 -3.535 1.00 72.35 H new ATOM 0 HE21 GLN A 55 27.493 15.032 -5.343 1.00 11.54 H new ATOM 0 HE22 GLN A 55 27.545 15.738 -6.962 1.00 11.54 H new ATOM 851 N HIS A 56 25.492 19.737 -0.895 1.00 11.25 N ATOM 852 CA HIS A 56 25.916 20.546 0.243 1.00 33.42 C ATOM 853 C HIS A 56 24.769 20.737 1.231 1.00 54.01 C ATOM 854 O HIS A 56 23.600 20.748 0.845 1.00 5.43 O ATOM 855 CB HIS A 56 26.427 21.906 -0.233 1.00 33.33 C ATOM 856 CG HIS A 56 27.775 22.263 0.313 1.00 51.43 C ATOM 857 ND1 HIS A 56 28.868 22.517 -0.489 1.00 11.32 N ATOM 858 CD2 HIS A 56 28.203 22.411 1.588 1.00 23.42 C ATOM 859 CE1 HIS A 56 29.911 22.804 0.270 1.00 34.41 C ATOM 860 NE2 HIS A 56 29.534 22.746 1.535 1.00 52.22 N ATOM 0 H HIS A 56 24.925 20.237 -1.580 1.00 11.25 H new ATOM 0 HA HIS A 56 26.725 20.020 0.750 1.00 33.42 H new ATOM 0 HB2 HIS A 56 26.473 21.907 -1.322 1.00 33.33 H new ATOM 0 HB3 HIS A 56 25.711 22.676 0.056 1.00 33.33 H new ATOM 0 HD2 HIS A 56 27.609 22.288 2.481 1.00 23.42 H new ATOM 0 HE1 HIS A 56 30.903 23.045 -0.083 1.00 34.41 H new ATOM 0 HE2 HIS A 56 30.134 22.921 2.341 1.00 52.22 H new ATOM 868 N ASN A 57 25.111 20.886 2.506 1.00 1.34 N ATOM 869 CA ASN A 57 24.110 21.076 3.550 1.00 74.25 C ATOM 870 C ASN A 57 23.647 22.529 3.602 1.00 21.30 C ATOM 871 O ASN A 57 24.252 23.406 2.987 1.00 72.32 O ATOM 872 CB ASN A 57 24.674 20.659 4.909 1.00 1.02 C ATOM 873 CG ASN A 57 23.696 19.820 5.708 1.00 22.45 C ATOM 874 OD1 ASN A 57 23.370 18.695 5.328 1.00 42.24 O ATOM 875 ND2 ASN A 57 23.223 20.364 6.823 1.00 12.14 N ATOM 0 H ASN A 57 26.074 20.879 2.842 1.00 1.34 H new ATOM 0 HA ASN A 57 23.251 20.448 3.313 1.00 74.25 H new ATOM 0 HB2 ASN A 57 25.595 20.095 4.760 1.00 1.02 H new ATOM 0 HB3 ASN A 57 24.935 21.550 5.480 1.00 1.02 H new ATOM 0 HD21 ASN A 57 22.562 19.846 7.403 1.00 12.14 H new ATOM 0 HD22 ASN A 57 23.520 21.299 7.100 1.00 12.14 H new ATOM 882 N ASN A 58 22.571 22.775 4.342 1.00 31.00 N ATOM 883 CA ASN A 58 22.027 24.122 4.475 1.00 32.54 C ATOM 884 C ASN A 58 21.542 24.648 3.128 1.00 45.40 C ATOM 885 O ASN A 58 21.447 25.858 2.920 1.00 13.24 O ATOM 886 CB ASN A 58 23.082 25.065 5.055 1.00 2.42 C ATOM 887 CG ASN A 58 22.561 25.859 6.238 1.00 62.40 C ATOM 888 OD1 ASN A 58 21.461 26.408 6.195 1.00 55.35 O ATOM 889 ND2 ASN A 58 23.352 25.922 7.303 1.00 64.44 N ATOM 0 H ASN A 58 22.059 22.060 4.858 1.00 31.00 H new ATOM 0 HA ASN A 58 21.176 24.078 5.155 1.00 32.54 H new ATOM 0 HB2 ASN A 58 23.952 24.486 5.365 1.00 2.42 H new ATOM 0 HB3 ASN A 58 23.417 25.753 4.278 1.00 2.42 H new ATOM 0 HD21 ASN A 58 23.055 26.441 8.129 1.00 64.44 H new ATOM 0 HD22 ASN A 58 24.257 25.451 7.295 1.00 64.44 H new ATOM 896 N PHE A 59 21.238 23.732 2.215 1.00 33.23 N ATOM 897 CA PHE A 59 20.763 24.103 0.887 1.00 4.44 C ATOM 898 C PHE A 59 21.703 25.114 0.237 1.00 3.43 C ATOM 899 O PHE A 59 21.282 26.195 -0.177 1.00 21.41 O ATOM 900 CB PHE A 59 19.350 24.684 0.971 1.00 4.44 C ATOM 901 CG PHE A 59 18.273 23.638 1.007 1.00 2.32 C ATOM 902 CD1 PHE A 59 18.257 22.676 2.004 1.00 74.23 C ATOM 903 CD2 PHE A 59 17.277 23.617 0.044 1.00 45.11 C ATOM 904 CE1 PHE A 59 17.267 21.712 2.040 1.00 74.12 C ATOM 905 CE2 PHE A 59 16.285 22.656 0.075 1.00 13.11 C ATOM 906 CZ PHE A 59 16.280 21.702 1.073 1.00 30.45 C ATOM 0 H PHE A 59 21.312 22.727 2.370 1.00 33.23 H new ATOM 0 HA PHE A 59 20.742 23.204 0.271 1.00 4.44 H new ATOM 0 HB2 PHE A 59 19.273 25.304 1.864 1.00 4.44 H new ATOM 0 HB3 PHE A 59 19.183 25.337 0.114 1.00 4.44 H new ATOM 0 HD1 PHE A 59 19.027 22.679 2.762 1.00 74.23 H new ATOM 0 HD2 PHE A 59 17.276 24.360 -0.740 1.00 45.11 H new ATOM 0 HE1 PHE A 59 17.265 20.968 2.823 1.00 74.12 H new ATOM 0 HE2 PHE A 59 15.514 22.651 -0.681 1.00 13.11 H new ATOM 0 HZ PHE A 59 15.506 20.949 1.098 1.00 30.45 H new ATOM 916 N LYS A 60 22.980 24.756 0.152 1.00 50.23 N ATOM 917 CA LYS A 60 23.982 25.630 -0.448 1.00 33.30 C ATOM 918 C LYS A 60 24.418 25.102 -1.811 1.00 21.21 C ATOM 919 O LYS A 60 24.658 25.874 -2.738 1.00 64.53 O ATOM 920 CB LYS A 60 25.196 25.756 0.475 1.00 61.03 C ATOM 921 CG LYS A 60 26.368 26.487 -0.158 1.00 74.44 C ATOM 922 CD LYS A 60 27.380 25.516 -0.743 1.00 72.05 C ATOM 923 CE LYS A 60 28.564 26.248 -1.357 1.00 32.23 C ATOM 924 NZ LYS A 60 28.750 25.896 -2.792 1.00 4.33 N ATOM 0 H LYS A 60 23.346 23.866 0.491 1.00 50.23 H new ATOM 0 HA LYS A 60 23.535 26.614 -0.586 1.00 33.30 H new ATOM 0 HB2 LYS A 60 24.899 26.281 1.383 1.00 61.03 H new ATOM 0 HB3 LYS A 60 25.519 24.759 0.774 1.00 61.03 H new ATOM 0 HG2 LYS A 60 26.004 27.151 -0.942 1.00 74.44 H new ATOM 0 HG3 LYS A 60 26.854 27.114 0.590 1.00 74.44 H new ATOM 0 HD2 LYS A 60 27.733 24.842 0.038 1.00 72.05 H new ATOM 0 HD3 LYS A 60 26.898 24.900 -1.502 1.00 72.05 H new ATOM 0 HE2 LYS A 60 28.414 27.324 -1.263 1.00 32.23 H new ATOM 0 HE3 LYS A 60 29.470 26.003 -0.803 1.00 32.23 H new ATOM 0 HZ1 LYS A 60 29.566 26.415 -3.174 1.00 4.33 H new ATOM 0 HZ2 LYS A 60 28.918 24.873 -2.880 1.00 4.33 H new ATOM 0 HZ3 LYS A 60 27.896 26.153 -3.326 1.00 4.33 H new ATOM 938 N GLY A 61 24.517 23.781 -1.925 1.00 22.20 N ATOM 939 CA GLY A 61 24.923 23.173 -3.179 1.00 22.13 C ATOM 940 C GLY A 61 23.748 22.887 -4.092 1.00 54.30 C ATOM 941 O GLY A 61 22.592 23.011 -3.686 1.00 21.42 O ATOM 0 H GLY A 61 24.323 23.121 -1.172 1.00 22.20 H new ATOM 0 HA2 GLY A 61 25.623 23.834 -3.690 1.00 22.13 H new ATOM 0 HA3 GLY A 61 25.454 22.244 -2.973 1.00 22.13 H new ATOM 945 N VAL A 62 24.042 22.506 -5.331 1.00 32.20 N ATOM 946 CA VAL A 62 23.000 22.202 -6.305 1.00 42.51 C ATOM 947 C VAL A 62 21.997 21.201 -5.743 1.00 42.14 C ATOM 948 O VAL A 62 22.347 20.347 -4.929 1.00 63.20 O ATOM 949 CB VAL A 62 23.597 21.638 -7.608 1.00 44.50 C ATOM 950 CG1 VAL A 62 24.278 20.303 -7.349 1.00 72.14 C ATOM 951 CG2 VAL A 62 22.519 21.500 -8.672 1.00 34.54 C ATOM 0 H VAL A 62 24.993 22.400 -5.684 1.00 32.20 H new ATOM 0 HA VAL A 62 22.489 23.139 -6.524 1.00 42.51 H new ATOM 0 HB VAL A 62 24.349 22.336 -7.975 1.00 44.50 H new ATOM 0 HG11 VAL A 62 24.694 19.920 -8.281 1.00 72.14 H new ATOM 0 HG12 VAL A 62 25.079 20.438 -6.623 1.00 72.14 H new ATOM 0 HG13 VAL A 62 23.550 19.593 -6.958 1.00 72.14 H new ATOM 0 HG21 VAL A 62 22.959 21.100 -9.586 1.00 34.54 H new ATOM 0 HG22 VAL A 62 21.742 20.823 -8.317 1.00 34.54 H new ATOM 0 HG23 VAL A 62 22.083 22.478 -8.877 1.00 34.54 H new ATOM 961 N ARG A 63 20.748 21.312 -6.184 1.00 44.14 N ATOM 962 CA ARG A 63 19.694 20.417 -5.725 1.00 74.41 C ATOM 963 C ARG A 63 19.181 19.548 -6.870 1.00 54.44 C ATOM 964 O ARG A 63 18.847 20.052 -7.943 1.00 42.12 O ATOM 965 CB ARG A 63 18.539 21.220 -5.123 1.00 42.14 C ATOM 966 CG ARG A 63 17.790 22.065 -6.141 1.00 31.02 C ATOM 967 CD ARG A 63 16.748 22.949 -5.472 1.00 65.42 C ATOM 968 NE ARG A 63 16.448 24.137 -6.266 1.00 10.10 N ATOM 969 CZ ARG A 63 15.729 25.159 -5.816 1.00 35.02 C ATOM 970 NH1 ARG A 63 15.239 25.138 -4.584 1.00 30.42 N ATOM 971 NH2 ARG A 63 15.498 26.205 -6.598 1.00 40.44 N ATOM 0 H ARG A 63 20.442 22.013 -6.859 1.00 44.14 H new ATOM 0 HA ARG A 63 20.114 19.766 -4.958 1.00 74.41 H new ATOM 0 HB2 ARG A 63 17.839 20.533 -4.648 1.00 42.14 H new ATOM 0 HB3 ARG A 63 18.929 21.870 -4.340 1.00 42.14 H new ATOM 0 HG2 ARG A 63 18.497 22.686 -6.691 1.00 31.02 H new ATOM 0 HG3 ARG A 63 17.304 21.415 -6.869 1.00 31.02 H new ATOM 0 HD2 ARG A 63 15.833 22.377 -5.316 1.00 65.42 H new ATOM 0 HD3 ARG A 63 17.107 23.251 -4.488 1.00 65.42 H new ATOM 0 HE ARG A 63 16.810 24.185 -7.218 1.00 10.10 H new ATOM 0 HH11 ARG A 63 15.414 24.336 -3.979 1.00 30.42 H new ATOM 0 HH12 ARG A 63 14.687 25.924 -4.241 1.00 30.42 H new ATOM 0 HH21 ARG A 63 15.873 26.225 -7.546 1.00 40.44 H new ATOM 0 HH22 ARG A 63 14.946 26.989 -6.251 1.00 40.44 H new ATOM 985 N ASP A 64 19.121 18.242 -6.635 1.00 12.53 N ATOM 986 CA ASP A 64 18.648 17.304 -7.646 1.00 21.01 C ATOM 987 C ASP A 64 17.240 16.817 -7.319 1.00 60.40 C ATOM 988 O ASP A 64 16.665 17.189 -6.296 1.00 53.23 O ATOM 989 CB ASP A 64 19.602 16.113 -7.752 1.00 74.23 C ATOM 990 CG ASP A 64 19.870 15.712 -9.190 1.00 14.33 C ATOM 991 OD1 ASP A 64 18.893 15.468 -9.929 1.00 24.53 O ATOM 992 OD2 ASP A 64 21.056 15.643 -9.575 1.00 75.34 O ATOM 0 H ASP A 64 19.394 17.809 -5.753 1.00 12.53 H new ATOM 0 HA ASP A 64 18.619 17.823 -8.604 1.00 21.01 H new ATOM 0 HB2 ASP A 64 20.545 16.362 -7.266 1.00 74.23 H new ATOM 0 HB3 ASP A 64 19.180 15.264 -7.214 1.00 74.23 H new ATOM 997 N PHE A 65 16.690 15.982 -8.195 1.00 11.30 N ATOM 998 CA PHE A 65 15.348 15.445 -8.001 1.00 1.33 C ATOM 999 C PHE A 65 15.192 14.103 -8.709 1.00 33.21 C ATOM 1000 O PHE A 65 15.634 13.933 -9.845 1.00 62.32 O ATOM 1001 CB PHE A 65 14.301 16.433 -8.519 1.00 14.12 C ATOM 1002 CG PHE A 65 14.531 16.860 -9.940 1.00 40.41 C ATOM 1003 CD1 PHE A 65 14.027 16.113 -10.992 1.00 65.25 C ATOM 1004 CD2 PHE A 65 15.250 18.010 -10.224 1.00 25.01 C ATOM 1005 CE1 PHE A 65 14.239 16.504 -12.301 1.00 72.52 C ATOM 1006 CE2 PHE A 65 15.465 18.406 -11.531 1.00 33.02 C ATOM 1007 CZ PHE A 65 14.957 17.652 -12.571 1.00 1.13 C ATOM 0 H PHE A 65 17.153 15.663 -9.046 1.00 11.30 H new ATOM 0 HA PHE A 65 15.196 15.292 -6.933 1.00 1.33 H new ATOM 0 HB2 PHE A 65 13.314 15.978 -8.440 1.00 14.12 H new ATOM 0 HB3 PHE A 65 14.298 17.315 -7.879 1.00 14.12 H new ATOM 0 HD1 PHE A 65 13.462 15.215 -10.787 1.00 65.25 H new ATOM 0 HD2 PHE A 65 15.647 18.604 -9.414 1.00 25.01 H new ATOM 0 HE1 PHE A 65 13.843 15.911 -13.112 1.00 72.52 H new ATOM 0 HE2 PHE A 65 16.029 19.303 -11.739 1.00 33.02 H new ATOM 0 HZ PHE A 65 15.121 17.960 -13.593 1.00 1.13 H new ATOM 1017 N TYR A 66 14.560 13.152 -8.029 1.00 40.41 N ATOM 1018 CA TYR A 66 14.347 11.824 -8.591 1.00 24.23 C ATOM 1019 C TYR A 66 13.006 11.251 -8.142 1.00 65.12 C ATOM 1020 O TYR A 66 12.702 11.210 -6.950 1.00 21.34 O ATOM 1021 CB TYR A 66 15.481 10.884 -8.175 1.00 53.22 C ATOM 1022 CG TYR A 66 16.533 10.696 -9.244 1.00 25.41 C ATOM 1023 CD1 TYR A 66 16.185 10.293 -10.527 1.00 60.50 C ATOM 1024 CD2 TYR A 66 17.877 10.922 -8.971 1.00 20.45 C ATOM 1025 CE1 TYR A 66 17.144 10.118 -11.506 1.00 52.31 C ATOM 1026 CE2 TYR A 66 18.842 10.751 -9.944 1.00 5.31 C ATOM 1027 CZ TYR A 66 18.471 10.349 -11.210 1.00 10.12 C ATOM 1028 OH TYR A 66 19.429 10.178 -12.183 1.00 31.02 O ATOM 0 H TYR A 66 14.187 13.277 -7.088 1.00 40.41 H new ATOM 0 HA TYR A 66 14.338 11.914 -9.677 1.00 24.23 H new ATOM 0 HB2 TYR A 66 15.955 11.276 -7.275 1.00 53.22 H new ATOM 0 HB3 TYR A 66 15.060 9.912 -7.916 1.00 53.22 H new ATOM 0 HD1 TYR A 66 15.147 10.113 -10.763 1.00 60.50 H new ATOM 0 HD2 TYR A 66 18.172 11.237 -7.981 1.00 20.45 H new ATOM 0 HE1 TYR A 66 16.856 9.802 -12.498 1.00 52.31 H new ATOM 0 HE2 TYR A 66 19.882 10.931 -9.715 1.00 5.31 H new ATOM 0 HH TYR A 66 20.313 10.383 -11.812 1.00 31.02 H new ATOM 1038 N THR A 67 12.207 10.808 -9.108 1.00 13.23 N ATOM 1039 CA THR A 67 10.898 10.238 -8.815 1.00 20.25 C ATOM 1040 C THR A 67 10.711 8.900 -9.520 1.00 70.42 C ATOM 1041 O THR A 67 9.625 8.593 -10.012 1.00 30.32 O ATOM 1042 CB THR A 67 9.763 11.190 -9.235 1.00 40.35 C ATOM 1043 OG1 THR A 67 8.497 10.646 -8.846 1.00 1.21 O ATOM 1044 CG2 THR A 67 9.780 11.422 -10.739 1.00 23.40 C ATOM 0 H THR A 67 12.444 10.833 -10.100 1.00 13.23 H new ATOM 0 HA THR A 67 10.854 10.087 -7.736 1.00 20.25 H new ATOM 0 HB THR A 67 9.917 12.146 -8.734 1.00 40.35 H new ATOM 0 HG1 THR A 67 8.363 9.781 -9.286 1.00 1.21 H new ATOM 0 HG21 THR A 67 8.969 12.098 -11.012 1.00 23.40 H new ATOM 0 HG22 THR A 67 10.734 11.864 -11.028 1.00 23.40 H new ATOM 0 HG23 THR A 67 9.649 10.471 -11.255 1.00 23.40 H new ATOM 1052 N SER A 68 11.776 8.106 -9.566 1.00 22.11 N ATOM 1053 CA SER A 68 11.730 6.801 -10.215 1.00 32.24 C ATOM 1054 C SER A 68 12.893 5.925 -9.758 1.00 12.33 C ATOM 1055 O SER A 68 13.797 6.389 -9.063 1.00 65.21 O ATOM 1056 CB SER A 68 11.765 6.962 -11.736 1.00 11.15 C ATOM 1057 OG SER A 68 10.731 6.214 -12.352 1.00 12.53 O ATOM 0 H SER A 68 12.682 8.344 -9.161 1.00 22.11 H new ATOM 0 HA SER A 68 10.797 6.314 -9.930 1.00 32.24 H new ATOM 0 HB2 SER A 68 11.660 8.015 -11.996 1.00 11.15 H new ATOM 0 HB3 SER A 68 12.732 6.634 -12.117 1.00 11.15 H new ATOM 0 HG SER A 68 10.774 6.335 -13.324 1.00 12.53 H new ATOM 1063 N ASP A 69 12.861 4.657 -10.153 1.00 1.43 N ATOM 1064 CA ASP A 69 13.912 3.716 -9.785 1.00 63.35 C ATOM 1065 C ASP A 69 15.289 4.276 -10.131 1.00 34.13 C ATOM 1066 O ASP A 69 15.614 4.471 -11.301 1.00 43.22 O ATOM 1067 CB ASP A 69 13.699 2.378 -10.496 1.00 45.22 C ATOM 1068 CG ASP A 69 12.438 1.674 -10.038 1.00 73.41 C ATOM 1069 OD1 ASP A 69 11.337 2.106 -10.440 1.00 60.34 O ATOM 1070 OD2 ASP A 69 12.551 0.689 -9.278 1.00 51.51 O ATOM 0 H ASP A 69 12.119 4.257 -10.728 1.00 1.43 H new ATOM 0 HA ASP A 69 13.864 3.559 -8.707 1.00 63.35 H new ATOM 0 HB2 ASP A 69 13.648 2.546 -11.572 1.00 45.22 H new ATOM 0 HB3 ASP A 69 14.558 1.733 -10.315 1.00 45.22 H new ATOM 1075 N ALA A 70 16.092 4.533 -9.104 1.00 12.35 N ATOM 1076 CA ALA A 70 17.433 5.070 -9.298 1.00 52.12 C ATOM 1077 C ALA A 70 18.495 4.055 -8.890 1.00 61.14 C ATOM 1078 O ALA A 70 18.921 4.018 -7.736 1.00 72.44 O ATOM 1079 CB ALA A 70 17.604 6.361 -8.511 1.00 50.03 C ATOM 0 H ALA A 70 15.837 4.378 -8.129 1.00 12.35 H new ATOM 0 HA ALA A 70 17.561 5.285 -10.359 1.00 52.12 H new ATOM 0 HB1 ALA A 70 18.610 6.751 -8.665 1.00 50.03 H new ATOM 0 HB2 ALA A 70 16.874 7.095 -8.853 1.00 50.03 H new ATOM 0 HB3 ALA A 70 17.450 6.163 -7.450 1.00 50.03 H new ATOM 1085 N ALA A 71 18.918 3.233 -9.845 1.00 24.42 N ATOM 1086 CA ALA A 71 19.932 2.218 -9.585 1.00 31.23 C ATOM 1087 C ALA A 71 21.255 2.856 -9.176 1.00 23.21 C ATOM 1088 O ALA A 71 22.087 2.220 -8.530 1.00 64.20 O ATOM 1089 CB ALA A 71 20.125 1.338 -10.811 1.00 35.22 C ATOM 0 H ALA A 71 18.574 3.250 -10.805 1.00 24.42 H new ATOM 0 HA ALA A 71 19.586 1.598 -8.758 1.00 31.23 H new ATOM 0 HB1 ALA A 71 20.885 0.585 -10.602 1.00 35.22 H new ATOM 0 HB2 ALA A 71 19.184 0.846 -11.057 1.00 35.22 H new ATOM 0 HB3 ALA A 71 20.444 1.952 -11.653 1.00 35.22 H new ATOM 1095 N GLU A 72 21.443 4.115 -9.557 1.00 54.43 N ATOM 1096 CA GLU A 72 22.667 4.838 -9.231 1.00 35.21 C ATOM 1097 C GLU A 72 22.350 6.160 -8.538 1.00 34.34 C ATOM 1098 O GLU A 72 21.600 6.985 -9.062 1.00 64.00 O ATOM 1099 CB GLU A 72 23.485 5.097 -10.497 1.00 64.22 C ATOM 1100 CG GLU A 72 24.962 4.774 -10.344 1.00 21.42 C ATOM 1101 CD GLU A 72 25.762 5.943 -9.803 1.00 21.21 C ATOM 1102 OE1 GLU A 72 26.140 6.824 -10.604 1.00 33.41 O ATOM 1103 OE2 GLU A 72 26.011 5.977 -8.580 1.00 13.12 O ATOM 0 H GLU A 72 20.763 4.656 -10.092 1.00 54.43 H new ATOM 0 HA GLU A 72 23.252 4.221 -8.549 1.00 35.21 H new ATOM 0 HB2 GLU A 72 23.074 4.502 -11.313 1.00 64.22 H new ATOM 0 HB3 GLU A 72 23.378 6.144 -10.781 1.00 64.22 H new ATOM 0 HG2 GLU A 72 25.076 3.920 -9.676 1.00 21.42 H new ATOM 0 HG3 GLU A 72 25.367 4.478 -11.312 1.00 21.42 H new ATOM 1110 N LEU A 73 22.925 6.354 -7.356 1.00 35.21 N ATOM 1111 CA LEU A 73 22.704 7.575 -6.589 1.00 71.00 C ATOM 1112 C LEU A 73 22.957 8.810 -7.447 1.00 41.23 C ATOM 1113 O LEU A 73 23.880 8.834 -8.261 1.00 42.22 O ATOM 1114 CB LEU A 73 23.613 7.600 -5.359 1.00 60.50 C ATOM 1115 CG LEU A 73 23.317 8.688 -4.327 1.00 52.20 C ATOM 1116 CD1 LEU A 73 23.857 10.030 -4.797 1.00 12.13 C ATOM 1117 CD2 LEU A 73 21.821 8.777 -4.060 1.00 3.11 C ATOM 0 H LEU A 73 23.548 5.682 -6.908 1.00 35.21 H new ATOM 0 HA LEU A 73 21.664 7.587 -6.264 1.00 71.00 H new ATOM 0 HB2 LEU A 73 23.548 6.631 -4.864 1.00 60.50 H new ATOM 0 HB3 LEU A 73 24.643 7.717 -5.696 1.00 60.50 H new ATOM 0 HG LEU A 73 23.817 8.424 -3.395 1.00 52.20 H new ATOM 0 HD11 LEU A 73 23.637 10.793 -4.050 1.00 12.13 H new ATOM 0 HD12 LEU A 73 24.936 9.959 -4.937 1.00 12.13 H new ATOM 0 HD13 LEU A 73 23.386 10.301 -5.742 1.00 12.13 H new ATOM 0 HD21 LEU A 73 21.629 9.557 -3.323 1.00 3.11 H new ATOM 0 HD22 LEU A 73 21.300 9.017 -4.987 1.00 3.11 H new ATOM 0 HD23 LEU A 73 21.462 7.821 -3.679 1.00 3.11 H new ATOM 1129 N SER A 74 22.132 9.835 -7.258 1.00 43.21 N ATOM 1130 CA SER A 74 22.266 11.074 -8.016 1.00 73.21 C ATOM 1131 C SER A 74 23.704 11.581 -7.979 1.00 41.02 C ATOM 1132 O SER A 74 24.207 11.979 -6.928 1.00 54.32 O ATOM 1133 CB SER A 74 21.322 12.141 -7.459 1.00 50.43 C ATOM 1134 OG SER A 74 20.912 13.040 -8.476 1.00 21.14 O ATOM 0 H SER A 74 21.364 9.832 -6.587 1.00 43.21 H new ATOM 0 HA SER A 74 21.999 10.868 -9.053 1.00 73.21 H new ATOM 0 HB2 SER A 74 20.448 11.663 -7.018 1.00 50.43 H new ATOM 0 HB3 SER A 74 21.821 12.692 -6.662 1.00 50.43 H new ATOM 0 HG SER A 74 20.140 12.667 -8.950 1.00 21.14 H new ATOM 1140 N ARG A 75 24.361 11.563 -9.134 1.00 60.13 N ATOM 1141 CA ARG A 75 25.742 12.019 -9.235 1.00 50.51 C ATOM 1142 C ARG A 75 26.664 11.156 -8.379 1.00 51.00 C ATOM 1143 O ARG A 75 26.227 10.181 -7.767 1.00 53.23 O ATOM 1144 CB ARG A 75 25.850 13.483 -8.804 1.00 4.14 C ATOM 1145 CG ARG A 75 24.864 14.400 -9.508 1.00 12.33 C ATOM 1146 CD ARG A 75 24.764 15.749 -8.813 1.00 43.52 C ATOM 1147 NE ARG A 75 25.721 16.714 -9.351 1.00 35.43 N ATOM 1148 CZ ARG A 75 25.577 17.313 -10.527 1.00 50.33 C ATOM 1149 NH1 ARG A 75 24.521 17.050 -11.285 1.00 64.30 N ATOM 1150 NH2 ARG A 75 26.490 18.179 -10.948 1.00 2.22 N ATOM 0 H ARG A 75 23.959 11.237 -10.013 1.00 60.13 H new ATOM 0 HA ARG A 75 26.053 11.929 -10.276 1.00 50.51 H new ATOM 0 HB2 ARG A 75 25.689 13.549 -7.728 1.00 4.14 H new ATOM 0 HB3 ARG A 75 26.863 13.836 -8.997 1.00 4.14 H new ATOM 0 HG2 ARG A 75 25.175 14.545 -10.543 1.00 12.33 H new ATOM 0 HG3 ARG A 75 23.881 13.929 -9.533 1.00 12.33 H new ATOM 0 HD2 ARG A 75 23.753 16.140 -8.925 1.00 43.52 H new ATOM 0 HD3 ARG A 75 24.940 15.621 -7.745 1.00 43.52 H new ATOM 0 HE ARG A 75 26.544 16.939 -8.793 1.00 35.43 H new ATOM 0 HH11 ARG A 75 23.816 16.386 -10.965 1.00 64.30 H new ATOM 0 HH12 ARG A 75 24.414 17.512 -12.188 1.00 64.30 H new ATOM 0 HH21 ARG A 75 27.303 18.385 -10.368 1.00 2.22 H new ATOM 0 HH22 ARG A 75 26.378 18.639 -11.852 1.00 2.22 H new ATOM 1164 N ASP A 76 27.941 11.521 -8.341 1.00 73.43 N ATOM 1165 CA ASP A 76 28.925 10.780 -7.560 1.00 55.01 C ATOM 1166 C ASP A 76 28.467 10.628 -6.113 1.00 14.21 C ATOM 1167 O ASP A 76 27.649 11.407 -5.625 1.00 51.45 O ATOM 1168 CB ASP A 76 30.281 11.486 -7.608 1.00 33.45 C ATOM 1169 CG ASP A 76 30.985 11.297 -8.937 1.00 0.42 C ATOM 1170 OD1 ASP A 76 30.381 10.693 -9.848 1.00 65.11 O ATOM 1171 OD2 ASP A 76 32.139 11.755 -9.066 1.00 43.42 O ATOM 0 H ASP A 76 28.319 12.325 -8.842 1.00 73.43 H new ATOM 0 HA ASP A 76 29.026 9.786 -7.996 1.00 55.01 H new ATOM 0 HB2 ASP A 76 30.140 12.551 -7.423 1.00 33.45 H new ATOM 0 HB3 ASP A 76 30.914 11.105 -6.807 1.00 33.45 H new ATOM 1176 N ASN A 77 28.999 9.619 -5.432 1.00 21.32 N ATOM 1177 CA ASN A 77 28.644 9.364 -4.041 1.00 33.44 C ATOM 1178 C ASN A 77 28.921 10.589 -3.175 1.00 31.22 C ATOM 1179 O ASN A 77 30.055 10.821 -2.754 1.00 75.13 O ATOM 1180 CB ASN A 77 29.423 8.160 -3.506 1.00 1.42 C ATOM 1181 CG ASN A 77 30.900 8.231 -3.844 1.00 54.15 C ATOM 1182 OD1 ASN A 77 31.294 8.032 -4.993 1.00 45.24 O ATOM 1183 ND2 ASN A 77 31.723 8.515 -2.842 1.00 43.34 N ATOM 0 H ASN A 77 29.678 8.964 -5.821 1.00 21.32 H new ATOM 0 HA ASN A 77 27.577 9.146 -3.999 1.00 33.44 H new ATOM 0 HB2 ASN A 77 29.303 8.104 -2.424 1.00 1.42 H new ATOM 0 HB3 ASN A 77 29.002 7.244 -3.921 1.00 1.42 H new ATOM 0 HD21 ASN A 77 32.727 8.576 -3.009 1.00 43.34 H new ATOM 0 HD22 ASN A 77 31.351 8.672 -1.905 1.00 43.34 H new ATOM 1190 N ASP A 78 27.878 11.369 -2.912 1.00 62.21 N ATOM 1191 CA ASP A 78 28.008 12.570 -2.095 1.00 22.41 C ATOM 1192 C ASP A 78 26.670 13.292 -1.974 1.00 20.02 C ATOM 1193 O ASP A 78 26.106 13.745 -2.969 1.00 52.02 O ATOM 1194 CB ASP A 78 29.056 13.509 -2.694 1.00 25.34 C ATOM 1195 CG ASP A 78 30.074 13.969 -1.669 1.00 23.14 C ATOM 1196 OD1 ASP A 78 29.673 14.638 -0.694 1.00 21.23 O ATOM 1197 OD2 ASP A 78 31.272 13.661 -1.842 1.00 23.22 O ATOM 0 H ASP A 78 26.933 11.191 -3.253 1.00 62.21 H new ATOM 0 HA ASP A 78 28.329 12.269 -1.098 1.00 22.41 H new ATOM 0 HB2 ASP A 78 29.570 13.002 -3.510 1.00 25.34 H new ATOM 0 HB3 ASP A 78 28.558 14.379 -3.123 1.00 25.34 H new ATOM 1202 N ALA A 79 26.168 13.395 -0.748 1.00 35.52 N ATOM 1203 CA ALA A 79 24.896 14.062 -0.497 1.00 5.35 C ATOM 1204 C ALA A 79 24.795 14.522 0.954 1.00 30.40 C ATOM 1205 O ALA A 79 24.474 13.734 1.844 1.00 64.53 O ATOM 1206 CB ALA A 79 23.738 13.139 -0.842 1.00 73.21 C ATOM 0 H ALA A 79 26.622 13.025 0.087 1.00 35.52 H new ATOM 0 HA ALA A 79 24.844 14.944 -1.135 1.00 5.35 H new ATOM 0 HB1 ALA A 79 22.795 13.651 -0.649 1.00 73.21 H new ATOM 0 HB2 ALA A 79 23.793 12.864 -1.895 1.00 73.21 H new ATOM 0 HB3 ALA A 79 23.794 12.240 -0.229 1.00 73.21 H new ATOM 1212 N SER A 80 25.071 15.801 1.186 1.00 52.15 N ATOM 1213 CA SER A 80 25.015 16.364 2.529 1.00 11.15 C ATOM 1214 C SER A 80 23.627 16.184 3.137 1.00 52.15 C ATOM 1215 O SER A 80 23.480 15.627 4.224 1.00 24.13 O ATOM 1216 CB SER A 80 25.382 17.849 2.499 1.00 51.01 C ATOM 1217 OG SER A 80 26.782 18.031 2.623 1.00 13.01 O ATOM 0 H SER A 80 25.336 16.467 0.460 1.00 52.15 H new ATOM 0 HA SER A 80 25.736 15.831 3.149 1.00 11.15 H new ATOM 0 HB2 SER A 80 25.036 18.294 1.566 1.00 51.01 H new ATOM 0 HB3 SER A 80 24.871 18.369 3.309 1.00 51.01 H new ATOM 0 HG SER A 80 27.191 18.040 1.732 1.00 13.01 H new ATOM 1223 N SER A 81 22.610 16.660 2.425 1.00 42.33 N ATOM 1224 CA SER A 81 21.233 16.556 2.894 1.00 45.12 C ATOM 1225 C SER A 81 20.307 16.115 1.765 1.00 52.32 C ATOM 1226 O SER A 81 20.640 16.243 0.587 1.00 64.33 O ATOM 1227 CB SER A 81 20.763 17.897 3.461 1.00 31.21 C ATOM 1228 OG SER A 81 19.349 17.948 3.543 1.00 61.14 O ATOM 0 H SER A 81 22.714 17.121 1.521 1.00 42.33 H new ATOM 0 HA SER A 81 21.199 15.804 3.683 1.00 45.12 H new ATOM 0 HB2 SER A 81 21.194 18.048 4.451 1.00 31.21 H new ATOM 0 HB3 SER A 81 21.123 18.709 2.829 1.00 31.21 H new ATOM 0 HG SER A 81 19.029 17.227 4.125 1.00 61.14 H new ATOM 1234 N VAL A 82 19.140 15.596 2.134 1.00 63.40 N ATOM 1235 CA VAL A 82 18.164 15.136 1.154 1.00 55.32 C ATOM 1236 C VAL A 82 16.740 15.379 1.642 1.00 73.14 C ATOM 1237 O VAL A 82 16.507 15.583 2.833 1.00 21.42 O ATOM 1238 CB VAL A 82 18.340 13.638 0.845 1.00 64.30 C ATOM 1239 CG1 VAL A 82 19.526 13.420 -0.083 1.00 21.24 C ATOM 1240 CG2 VAL A 82 18.507 12.845 2.132 1.00 24.05 C ATOM 0 H VAL A 82 18.848 15.484 3.105 1.00 63.40 H new ATOM 0 HA VAL A 82 18.337 15.709 0.243 1.00 55.32 H new ATOM 0 HB VAL A 82 17.443 13.281 0.339 1.00 64.30 H new ATOM 0 HG11 VAL A 82 19.635 12.355 -0.290 1.00 21.24 H new ATOM 0 HG12 VAL A 82 19.360 13.957 -1.017 1.00 21.24 H new ATOM 0 HG13 VAL A 82 20.433 13.792 0.393 1.00 21.24 H new ATOM 0 HG21 VAL A 82 18.630 11.788 1.895 1.00 24.05 H new ATOM 0 HG22 VAL A 82 19.387 13.202 2.668 1.00 24.05 H new ATOM 0 HG23 VAL A 82 17.624 12.976 2.757 1.00 24.05 H new ATOM 1250 N ARG A 83 15.790 15.355 0.712 1.00 13.15 N ATOM 1251 CA ARG A 83 14.388 15.573 1.048 1.00 53.24 C ATOM 1252 C ARG A 83 13.486 14.638 0.247 1.00 14.42 C ATOM 1253 O ARG A 83 13.330 14.795 -0.964 1.00 63.20 O ATOM 1254 CB ARG A 83 13.998 17.028 0.780 1.00 13.14 C ATOM 1255 CG ARG A 83 13.185 17.656 1.901 1.00 52.45 C ATOM 1256 CD ARG A 83 13.825 18.943 2.399 1.00 33.55 C ATOM 1257 NE ARG A 83 12.873 19.784 3.120 1.00 30.54 N ATOM 1258 CZ ARG A 83 13.233 20.777 3.925 1.00 31.04 C ATOM 1259 NH1 ARG A 83 14.517 21.052 4.111 1.00 55.41 N ATOM 1260 NH2 ARG A 83 12.308 21.498 4.546 1.00 31.45 N ATOM 0 H ARG A 83 15.966 15.187 -0.279 1.00 13.15 H new ATOM 0 HA ARG A 83 14.256 15.358 2.108 1.00 53.24 H new ATOM 0 HB2 ARG A 83 14.903 17.616 0.626 1.00 13.14 H new ATOM 0 HB3 ARG A 83 13.424 17.077 -0.145 1.00 13.14 H new ATOM 0 HG2 ARG A 83 12.175 17.864 1.547 1.00 52.45 H new ATOM 0 HG3 ARG A 83 13.095 16.950 2.726 1.00 52.45 H new ATOM 0 HD2 ARG A 83 14.663 18.702 3.053 1.00 33.55 H new ATOM 0 HD3 ARG A 83 14.230 19.498 1.553 1.00 33.55 H new ATOM 0 HE ARG A 83 11.877 19.599 2.999 1.00 30.54 H new ATOM 0 HH11 ARG A 83 15.231 20.500 3.635 1.00 55.41 H new ATOM 0 HH12 ARG A 83 14.791 21.815 4.730 1.00 55.41 H new ATOM 0 HH21 ARG A 83 11.319 21.290 4.405 1.00 31.45 H new ATOM 0 HH22 ARG A 83 12.586 22.260 5.164 1.00 31.45 H new ATOM 1274 N VAL A 84 12.893 13.666 0.933 1.00 62.44 N ATOM 1275 CA VAL A 84 12.006 12.706 0.286 1.00 22.32 C ATOM 1276 C VAL A 84 10.556 12.936 0.695 1.00 32.34 C ATOM 1277 O VAL A 84 10.267 13.234 1.854 1.00 12.02 O ATOM 1278 CB VAL A 84 12.401 11.257 0.629 1.00 4.02 C ATOM 1279 CG1 VAL A 84 12.597 11.098 2.129 1.00 21.32 C ATOM 1280 CG2 VAL A 84 11.353 10.283 0.114 1.00 71.14 C ATOM 0 H VAL A 84 13.011 13.522 1.936 1.00 62.44 H new ATOM 0 HA VAL A 84 12.106 12.857 -0.789 1.00 22.32 H new ATOM 0 HB VAL A 84 13.347 11.031 0.137 1.00 4.02 H new ATOM 0 HG11 VAL A 84 12.876 10.068 2.352 1.00 21.32 H new ATOM 0 HG12 VAL A 84 13.387 11.769 2.466 1.00 21.32 H new ATOM 0 HG13 VAL A 84 11.669 11.343 2.645 1.00 21.32 H new ATOM 0 HG21 VAL A 84 11.648 9.264 0.365 1.00 71.14 H new ATOM 0 HG22 VAL A 84 10.391 10.506 0.575 1.00 71.14 H new ATOM 0 HG23 VAL A 84 11.267 10.379 -0.968 1.00 71.14 H new ATOM 1290 N SER A 85 9.647 12.794 -0.264 1.00 15.32 N ATOM 1291 CA SER A 85 8.225 12.990 -0.004 1.00 70.13 C ATOM 1292 C SER A 85 7.378 12.172 -0.975 1.00 1.40 C ATOM 1293 O SER A 85 7.893 11.594 -1.932 1.00 41.54 O ATOM 1294 CB SER A 85 7.863 14.472 -0.118 1.00 4.12 C ATOM 1295 OG SER A 85 8.622 15.253 0.789 1.00 30.04 O ATOM 0 H SER A 85 9.869 12.544 -1.228 1.00 15.32 H new ATOM 0 HA SER A 85 8.016 12.650 1.010 1.00 70.13 H new ATOM 0 HB2 SER A 85 8.041 14.816 -1.137 1.00 4.12 H new ATOM 0 HB3 SER A 85 6.800 14.607 0.082 1.00 4.12 H new ATOM 0 HG SER A 85 8.374 16.196 0.696 1.00 30.04 H new ATOM 1301 N LYS A 86 6.075 12.129 -0.721 1.00 33.53 N ATOM 1302 CA LYS A 86 5.153 11.384 -1.571 1.00 25.22 C ATOM 1303 C LYS A 86 4.526 12.294 -2.622 1.00 4.01 C ATOM 1304 O LYS A 86 4.083 13.400 -2.314 1.00 35.44 O ATOM 1305 CB LYS A 86 4.057 10.734 -0.724 1.00 11.45 C ATOM 1306 CG LYS A 86 4.036 9.218 -0.814 1.00 54.43 C ATOM 1307 CD LYS A 86 3.961 8.578 0.562 1.00 52.42 C ATOM 1308 CE LYS A 86 2.531 8.215 0.931 1.00 54.24 C ATOM 1309 NZ LYS A 86 2.113 8.842 2.215 1.00 31.13 N ATOM 0 H LYS A 86 5.633 12.602 0.067 1.00 33.53 H new ATOM 0 HA LYS A 86 5.719 10.605 -2.082 1.00 25.22 H new ATOM 0 HB2 LYS A 86 4.193 11.026 0.317 1.00 11.45 H new ATOM 0 HB3 LYS A 86 3.088 11.122 -1.039 1.00 11.45 H new ATOM 0 HG2 LYS A 86 3.181 8.900 -1.411 1.00 54.43 H new ATOM 0 HG3 LYS A 86 4.932 8.871 -1.329 1.00 54.43 H new ATOM 0 HD2 LYS A 86 4.582 7.682 0.582 1.00 52.42 H new ATOM 0 HD3 LYS A 86 4.367 9.264 1.306 1.00 52.42 H new ATOM 0 HE2 LYS A 86 1.858 8.535 0.135 1.00 54.24 H new ATOM 0 HE3 LYS A 86 2.440 7.132 1.009 1.00 54.24 H new ATOM 0 HZ1 LYS A 86 1.133 8.570 2.431 1.00 31.13 H new ATOM 0 HZ2 LYS A 86 2.739 8.518 2.980 1.00 31.13 H new ATOM 0 HZ3 LYS A 86 2.175 9.877 2.132 1.00 31.13 H new ATOM 1323 N MET A 87 4.492 11.821 -3.863 1.00 63.04 N ATOM 1324 CA MET A 87 3.917 12.592 -4.959 1.00 54.11 C ATOM 1325 C MET A 87 2.682 11.896 -5.524 1.00 3.31 C ATOM 1326 O MET A 87 1.552 12.295 -5.244 1.00 43.02 O ATOM 1327 CB MET A 87 4.952 12.797 -6.066 1.00 64.13 C ATOM 1328 CG MET A 87 4.406 13.526 -7.283 1.00 15.22 C ATOM 1329 SD MET A 87 4.670 12.615 -8.816 1.00 44.10 S ATOM 1330 CE MET A 87 4.960 13.960 -9.963 1.00 71.22 C ATOM 0 H MET A 87 4.856 10.908 -4.135 1.00 63.04 H new ATOM 0 HA MET A 87 3.618 13.564 -4.568 1.00 54.11 H new ATOM 0 HB2 MET A 87 5.795 13.359 -5.664 1.00 64.13 H new ATOM 0 HB3 MET A 87 5.336 11.826 -6.377 1.00 64.13 H new ATOM 0 HG2 MET A 87 3.339 13.701 -7.148 1.00 15.22 H new ATOM 0 HG3 MET A 87 4.882 14.504 -7.360 1.00 15.22 H new ATOM 0 HE1 MET A 87 4.480 13.736 -10.915 1.00 71.22 H new ATOM 0 HE2 MET A 87 4.545 14.882 -9.555 1.00 71.22 H new ATOM 0 HE3 MET A 87 6.032 14.082 -10.117 1.00 71.22 H new ATOM 1340 N GLU A 88 2.907 10.855 -6.320 1.00 1.44 N ATOM 1341 CA GLU A 88 1.812 10.106 -6.924 1.00 32.02 C ATOM 1342 C GLU A 88 0.829 11.044 -7.618 1.00 14.10 C ATOM 1343 O GLU A 88 -0.304 11.221 -7.167 1.00 23.32 O ATOM 1344 CB GLU A 88 1.083 9.280 -5.862 1.00 13.10 C ATOM 1345 CG GLU A 88 0.175 8.208 -6.442 1.00 1.32 C ATOM 1346 CD GLU A 88 -0.604 7.464 -5.375 1.00 22.41 C ATOM 1347 OE1 GLU A 88 -0.789 8.026 -4.275 1.00 43.02 O ATOM 1348 OE2 GLU A 88 -1.028 6.319 -5.639 1.00 41.41 O ATOM 0 H GLU A 88 3.837 10.512 -6.561 1.00 1.44 H new ATOM 0 HA GLU A 88 2.234 9.433 -7.671 1.00 32.02 H new ATOM 0 HB2 GLU A 88 1.820 8.808 -5.212 1.00 13.10 H new ATOM 0 HB3 GLU A 88 0.490 9.948 -5.238 1.00 13.10 H new ATOM 0 HG2 GLU A 88 -0.523 8.668 -7.142 1.00 1.32 H new ATOM 0 HG3 GLU A 88 0.775 7.497 -7.011 1.00 1.32 H new ATOM 1355 N THR A 89 1.269 11.645 -8.719 1.00 65.21 N ATOM 1356 CA THR A 89 0.431 12.566 -9.475 1.00 73.02 C ATOM 1357 C THR A 89 0.675 12.429 -10.974 1.00 24.24 C ATOM 1358 O THR A 89 1.794 12.620 -11.451 1.00 43.01 O ATOM 1359 CB THR A 89 0.682 14.027 -9.057 1.00 43.02 C ATOM 1360 OG1 THR A 89 2.085 14.313 -9.097 1.00 12.31 O ATOM 1361 CG2 THR A 89 0.145 14.290 -7.658 1.00 64.23 C ATOM 0 H THR A 89 2.203 11.510 -9.107 1.00 65.21 H new ATOM 0 HA THR A 89 -0.604 12.305 -9.253 1.00 73.02 H new ATOM 0 HB THR A 89 0.158 14.678 -9.758 1.00 43.02 H new ATOM 0 HG1 THR A 89 2.590 13.473 -9.090 1.00 12.31 H new ATOM 0 HG21 THR A 89 0.334 15.328 -7.385 1.00 64.23 H new ATOM 0 HG22 THR A 89 -0.928 14.099 -7.638 1.00 64.23 H new ATOM 0 HG23 THR A 89 0.644 13.631 -6.947 1.00 64.23 H new ATOM 1369 N THR A 90 -0.379 12.097 -11.713 1.00 25.52 N ATOM 1370 CA THR A 90 -0.278 11.933 -13.157 1.00 41.35 C ATOM 1371 C THR A 90 -1.622 12.178 -13.833 1.00 72.24 C ATOM 1372 O THR A 90 -2.548 11.378 -13.703 1.00 3.14 O ATOM 1373 CB THR A 90 0.223 10.525 -13.530 1.00 54.02 C ATOM 1374 OG1 THR A 90 0.445 9.754 -12.344 1.00 51.21 O ATOM 1375 CG2 THR A 90 1.509 10.604 -14.338 1.00 42.21 C ATOM 0 H THR A 90 -1.312 11.936 -11.335 1.00 25.52 H new ATOM 0 HA THR A 90 0.443 12.671 -13.509 1.00 41.35 H new ATOM 0 HB THR A 90 -0.541 10.042 -14.139 1.00 54.02 H new ATOM 0 HG1 THR A 90 0.762 8.860 -12.590 1.00 51.21 H new ATOM 0 HG21 THR A 90 1.843 9.597 -14.589 1.00 42.21 H new ATOM 0 HG22 THR A 90 1.329 11.166 -15.254 1.00 42.21 H new ATOM 0 HG23 THR A 90 2.278 11.105 -13.750 1.00 42.21 H new ATOM 1383 N ASN A 91 -1.722 13.288 -14.557 1.00 52.20 N ATOM 1384 CA ASN A 91 -2.955 13.638 -15.254 1.00 65.32 C ATOM 1385 C ASN A 91 -4.100 13.839 -14.267 1.00 2.34 C ATOM 1386 O ASN A 91 -3.928 14.468 -13.223 1.00 14.33 O ATOM 1387 CB ASN A 91 -3.322 12.547 -16.262 1.00 63.14 C ATOM 1388 CG ASN A 91 -3.152 13.006 -17.698 1.00 35.21 C ATOM 1389 OD1 ASN A 91 -4.055 12.851 -18.521 1.00 44.01 O ATOM 1390 ND2 ASN A 91 -1.992 13.574 -18.004 1.00 61.34 N ATOM 0 H ASN A 91 -0.964 13.961 -14.677 1.00 52.20 H new ATOM 0 HA ASN A 91 -2.789 14.575 -15.786 1.00 65.32 H new ATOM 0 HB2 ASN A 91 -2.699 11.670 -16.087 1.00 63.14 H new ATOM 0 HB3 ASN A 91 -4.356 12.240 -16.101 1.00 63.14 H new ATOM 0 HD21 ASN A 91 -1.820 13.903 -18.954 1.00 61.34 H new ATOM 0 HD22 ASN A 91 -1.272 13.682 -17.289 1.00 61.34 H new TER 1397 ASN A 91