USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 764 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 NoAdj-H: A 28 THR H : A 28 THR N : A 3 ASP OD1 :(H bumps) USER MOD Set 1.1: A 67 THR OG1 : rot 107:sc= 0.0811 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc= -0.377 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -101:sc= -0.803! USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 1.05 USER MOD Set 3.2: A 62 THR OG1 : rot -127:sc= 0.766 USER MOD Set 4.1: A 12 ASN :FLIP amide:sc= -0.511 F(o=-1.7,f=-0.66) USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 17 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= -4.51! (180deg=-4.51!) USER MOD Single : A 16 HIS : no HE2:sc= -0.0224 K(o=-0.022,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= 0.271 (180deg=0.102) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -55:sc= 0.751 USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= -0.0435 (180deg=-0.377) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -141:sc= -2.48! (180deg=-4.94!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.02 K(o=-1,f=-5.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.276 F(o=-0.97,f=-0.28) USER MOD Single : A 59 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.31) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -18.2! C(o=-18!,f=-19!) USER MOD Single : A 86 SER OG : rot -69:sc= -0.239 USER MOD Single : A 89 SER OG : rot 89:sc= 1.16 USER MOD Single : A 92 SER OG : rot -104:sc= -1.82! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 65:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.898 -3.078 -5.018 1.00 0.68 N ATOM 27 CA ILE A 2 -17.864 -2.345 -4.299 1.00 0.61 C ATOM 28 C ILE A 2 -16.688 -2.010 -5.209 1.00 0.57 C ATOM 29 O ILE A 2 -16.402 -2.728 -6.169 1.00 0.63 O ATOM 30 CB ILE A 2 -17.344 -3.132 -3.073 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.369 -2.273 -2.257 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.674 -4.425 -3.517 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.664 -3.024 -1.146 1.00 0.56 C ATOM 0 HA ILE A 2 -18.328 -1.422 -3.952 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.194 -3.384 -2.438 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.621 -1.854 -2.929 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.915 -1.434 -1.825 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.314 -4.967 -2.643 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.394 -5.042 -4.055 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.834 -4.193 -4.172 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.993 -2.347 -0.618 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.402 -3.420 -0.449 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.088 -3.846 -1.571 1.00 0.56 H new ATOM 45 N ASP A 3 -16.012 -0.915 -4.892 1.00 0.55 N ATOM 46 CA ASP A 3 -14.860 -0.464 -5.656 1.00 0.54 C ATOM 47 C ASP A 3 -13.724 -0.086 -4.708 1.00 0.47 C ATOM 48 O ASP A 3 -13.923 0.688 -3.772 1.00 0.49 O ATOM 49 CB ASP A 3 -15.241 0.737 -6.528 1.00 0.61 C ATOM 50 CG ASP A 3 -16.711 1.088 -6.422 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.107 1.681 -5.396 1.00 2.00 O ATOM 52 OD2 ASP A 3 -17.468 0.772 -7.364 1.00 1.64 O ATOM 0 H ASP A 3 -16.247 -0.316 -4.100 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.526 -1.274 -6.304 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.643 1.599 -6.234 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.997 0.519 -7.568 1.00 0.61 H new ATOM 57 N PRO A 4 -12.514 -0.630 -4.926 1.00 0.44 N ATOM 58 CA PRO A 4 -11.361 -0.342 -4.076 1.00 0.41 C ATOM 59 C PRO A 4 -10.697 0.986 -4.428 1.00 0.38 C ATOM 60 O PRO A 4 -11.100 1.658 -5.377 1.00 0.43 O ATOM 61 CB PRO A 4 -10.428 -1.514 -4.364 1.00 0.45 C ATOM 62 CG PRO A 4 -10.716 -1.879 -5.780 1.00 0.50 C ATOM 63 CD PRO A 4 -12.175 -1.568 -6.013 1.00 0.50 C ATOM 0 HA PRO A 4 -11.632 -0.242 -3.025 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.384 -1.232 -4.231 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.621 -2.350 -3.691 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.084 -1.312 -6.463 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.511 -2.935 -5.958 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.337 -1.119 -6.993 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.788 -2.468 -5.970 1.00 0.50 H new ATOM 71 N PRO A 5 -9.670 1.388 -3.660 1.00 0.37 N ATOM 72 CA PRO A 5 -8.953 2.648 -3.887 1.00 0.39 C ATOM 73 C PRO A 5 -8.196 2.665 -5.211 1.00 0.38 C ATOM 74 O PRO A 5 -8.196 1.683 -5.954 1.00 0.47 O ATOM 75 CB PRO A 5 -7.971 2.732 -2.710 1.00 0.46 C ATOM 76 CG PRO A 5 -8.457 1.734 -1.713 1.00 0.71 C ATOM 77 CD PRO A 5 -9.131 0.654 -2.506 1.00 0.43 C ATOM 0 HA PRO A 5 -9.641 3.491 -3.944 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.954 2.504 -3.030 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.953 3.735 -2.284 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.630 1.331 -1.129 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.151 2.192 -1.008 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.429 -0.122 -2.812 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.919 0.164 -1.934 1.00 0.43 H new ATOM 85 N GLY A 6 -7.552 3.792 -5.497 1.00 0.37 N ATOM 86 CA GLY A 6 -6.796 3.929 -6.729 1.00 0.39 C ATOM 87 C GLY A 6 -5.439 3.257 -6.658 1.00 0.42 C ATOM 88 O GLY A 6 -5.021 2.795 -5.597 1.00 0.66 O ATOM 0 H GLY A 6 -7.540 4.616 -4.895 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.368 3.499 -7.551 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.662 4.987 -6.953 1.00 0.39 H new ATOM 92 N LYS A 7 -4.749 3.203 -7.794 1.00 0.41 N ATOM 93 CA LYS A 7 -3.431 2.584 -7.860 1.00 0.44 C ATOM 94 C LYS A 7 -2.463 3.269 -6.896 1.00 0.37 C ATOM 95 O LYS A 7 -2.224 4.472 -7.007 1.00 0.42 O ATOM 96 CB LYS A 7 -2.881 2.661 -9.284 1.00 0.54 C ATOM 97 CG LYS A 7 -1.461 2.137 -9.407 1.00 0.64 C ATOM 98 CD LYS A 7 -0.867 2.438 -10.773 1.00 1.01 C ATOM 99 CE LYS A 7 0.199 1.424 -11.150 1.00 0.95 C ATOM 100 NZ LYS A 7 -0.284 0.467 -12.184 1.00 1.52 N ATOM 0 H LYS A 7 -5.082 3.581 -8.681 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.532 1.538 -7.570 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.530 2.091 -9.948 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.909 3.697 -9.622 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.839 2.586 -8.633 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.454 1.060 -9.236 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.657 2.434 -11.524 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.435 3.439 -10.771 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.081 1.946 -11.522 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.506 0.873 -10.261 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 0.473 -0.208 -12.413 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 -1.110 -0.050 -11.820 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 -0.553 0.990 -13.042 1.00 1.52 H new ATOM 114 N PRO A 8 -1.892 2.525 -5.928 1.00 0.34 N ATOM 115 CA PRO A 8 -0.955 3.092 -4.948 1.00 0.32 C ATOM 116 C PRO A 8 0.360 3.531 -5.575 1.00 0.33 C ATOM 117 O PRO A 8 1.020 2.759 -6.271 1.00 0.44 O ATOM 118 CB PRO A 8 -0.727 1.943 -3.953 1.00 0.39 C ATOM 119 CG PRO A 8 -1.837 0.982 -4.220 1.00 0.44 C ATOM 120 CD PRO A 8 -2.102 1.085 -5.690 1.00 0.41 C ATOM 0 HA PRO A 8 -1.356 3.995 -4.487 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.246 1.476 -4.105 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.752 2.300 -2.924 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.554 -0.033 -3.941 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.725 1.236 -3.641 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.418 0.469 -6.274 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -3.113 0.770 -5.947 1.00 0.41 H new ATOM 128 N VAL A 9 0.734 4.783 -5.321 1.00 0.34 N ATOM 129 CA VAL A 9 1.969 5.333 -5.859 1.00 0.38 C ATOM 130 C VAL A 9 2.763 6.068 -4.778 1.00 0.34 C ATOM 131 O VAL A 9 2.377 7.155 -4.339 1.00 0.35 O ATOM 132 CB VAL A 9 1.694 6.294 -7.035 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.960 7.541 -6.566 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.993 6.665 -7.733 1.00 0.53 C ATOM 0 H VAL A 9 0.198 5.433 -4.746 1.00 0.34 H new ATOM 0 HA VAL A 9 2.558 4.492 -6.224 1.00 0.38 H new ATOM 0 HB VAL A 9 1.052 5.779 -7.749 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.780 8.199 -7.416 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.007 7.256 -6.120 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.566 8.063 -5.825 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.781 7.343 -8.560 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.660 7.155 -7.024 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.470 5.763 -8.117 1.00 0.53 H new ATOM 144 N PRO A 10 3.886 5.478 -4.318 1.00 0.34 N ATOM 145 CA PRO A 10 4.721 6.070 -3.288 1.00 0.32 C ATOM 146 C PRO A 10 4.838 7.581 -3.404 1.00 0.37 C ATOM 147 O PRO A 10 4.917 8.138 -4.499 1.00 0.64 O ATOM 148 CB PRO A 10 6.076 5.424 -3.511 1.00 0.38 C ATOM 149 CG PRO A 10 5.776 4.082 -4.092 1.00 0.39 C ATOM 150 CD PRO A 10 4.415 4.176 -4.752 1.00 0.42 C ATOM 0 HA PRO A 10 4.301 5.899 -2.297 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.690 6.018 -4.188 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.629 5.334 -2.576 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.537 3.798 -4.818 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.775 3.317 -3.315 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.496 4.122 -5.838 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.765 3.359 -4.439 1.00 0.42 H new ATOM 158 N LEU A 11 4.861 8.222 -2.254 1.00 0.34 N ATOM 159 CA LEU A 11 4.984 9.660 -2.157 1.00 0.43 C ATOM 160 C LEU A 11 6.436 9.998 -1.892 1.00 0.43 C ATOM 161 O LEU A 11 7.014 10.900 -2.497 1.00 0.57 O ATOM 162 CB LEU A 11 4.125 10.154 -0.997 1.00 0.56 C ATOM 163 CG LEU A 11 3.116 11.244 -1.323 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.521 11.771 -0.030 1.00 1.12 C ATOM 165 CD2 LEU A 11 3.765 12.366 -2.121 1.00 1.64 C ATOM 0 H LEU A 11 4.794 7.753 -1.351 1.00 0.34 H new ATOM 0 HA LEU A 11 4.653 10.135 -3.080 1.00 0.43 H new ATOM 0 HB2 LEU A 11 3.586 9.302 -0.583 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.787 10.524 -0.214 1.00 0.56 H new ATOM 0 HG LEU A 11 2.321 10.825 -1.940 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.796 12.553 -0.255 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.025 10.958 0.500 1.00 1.12 H new ATOM 0 HD13 LEU A 11 3.314 12.181 0.595 1.00 1.12 H new ATOM 0 HD21 LEU A 11 3.022 13.133 -2.341 1.00 1.64 H new ATOM 0 HD22 LEU A 11 4.577 12.804 -1.540 1.00 1.64 H new ATOM 0 HD23 LEU A 11 4.162 11.966 -3.054 1.00 1.64 H new ATOM 177 N ASN A 12 7.007 9.236 -0.972 1.00 0.34 N ATOM 178 CA ASN A 12 8.399 9.397 -0.581 1.00 0.36 C ATOM 179 C ASN A 12 8.964 8.043 -0.190 1.00 0.37 C ATOM 180 O ASN A 12 8.216 7.152 0.186 1.00 0.58 O ATOM 181 CB ASN A 12 8.515 10.378 0.588 1.00 0.42 C ATOM 182 CG ASN A 12 9.953 10.746 0.897 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.652 9.859 1.595 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.428 11.814 0.515 1.00 0.71 N flip ATOM 0 H ASN A 12 6.520 8.490 -0.476 1.00 0.34 H new ATOM 0 HA ASN A 12 8.966 9.800 -1.420 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.954 11.283 0.356 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.058 9.938 1.474 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.853 12.466 -0.019 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.397 12.048 0.732 1.00 0.71 H new ATOM 191 N ILE A 13 10.274 7.876 -0.282 1.00 0.38 N ATOM 192 CA ILE A 13 10.881 6.601 0.069 1.00 0.43 C ATOM 193 C ILE A 13 12.235 6.788 0.739 1.00 0.53 C ATOM 194 O ILE A 13 13.246 7.016 0.076 1.00 0.75 O ATOM 195 CB ILE A 13 11.041 5.692 -1.165 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.517 6.507 -2.377 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.732 4.966 -1.461 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.409 7.221 -3.128 1.00 0.96 C ATOM 0 H ILE A 13 10.929 8.594 -0.591 1.00 0.38 H new ATOM 0 HA ILE A 13 10.204 6.120 0.776 1.00 0.43 H new ATOM 0 HB ILE A 13 11.801 4.940 -0.953 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.245 7.245 -2.040 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.035 5.841 -3.066 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.860 4.328 -2.335 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.453 4.355 -0.603 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.947 5.696 -1.657 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.834 7.771 -3.967 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.691 6.490 -3.500 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.904 7.916 -2.457 1.00 0.96 H new ATOM 210 N THR A 14 12.243 6.683 2.064 1.00 0.59 N ATOM 211 CA THR A 14 13.465 6.832 2.840 1.00 0.71 C ATOM 212 C THR A 14 14.046 5.477 3.203 1.00 0.79 C ATOM 213 O THR A 14 14.366 5.234 4.363 1.00 1.46 O ATOM 214 CB THR A 14 13.201 7.642 4.109 1.00 0.75 C ATOM 215 OG1 THR A 14 11.983 8.359 4.005 1.00 0.69 O ATOM 216 CG2 THR A 14 14.298 8.638 4.421 1.00 0.94 C ATOM 0 H THR A 14 11.411 6.494 2.623 1.00 0.59 H new ATOM 0 HA THR A 14 14.189 7.366 2.224 1.00 0.71 H new ATOM 0 HB THR A 14 13.157 6.910 4.915 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.832 8.869 4.828 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.049 9.180 5.333 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.241 8.109 4.559 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.395 9.343 3.595 1.00 0.94 H new ATOM 224 N ARG A 15 14.183 4.614 2.195 1.00 0.66 N ATOM 225 CA ARG A 15 14.740 3.272 2.371 1.00 0.67 C ATOM 226 C ARG A 15 13.969 2.462 3.414 1.00 0.71 C ATOM 227 O ARG A 15 13.263 1.510 3.080 1.00 1.19 O ATOM 228 CB ARG A 15 16.219 3.351 2.772 1.00 0.80 C ATOM 229 CG ARG A 15 16.926 4.619 2.337 1.00 0.96 C ATOM 230 CD ARG A 15 17.181 5.529 3.531 1.00 1.13 C ATOM 231 NE ARG A 15 18.471 6.205 3.441 1.00 1.43 N ATOM 232 CZ ARG A 15 19.112 6.715 4.488 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.584 6.624 5.701 1.00 1.90 N ATOM 234 NH2 ARG A 15 20.281 7.316 4.323 1.00 2.42 N ATOM 0 H ARG A 15 13.911 4.825 1.235 1.00 0.66 H new ATOM 0 HA ARG A 15 14.648 2.761 1.413 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.293 3.264 3.856 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.743 2.495 2.347 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.871 4.368 1.856 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.321 5.143 1.597 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.387 6.272 3.596 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.143 4.942 4.448 1.00 1.13 H new ATOM 0 HE ARG A 15 18.906 6.291 2.522 1.00 1.43 H new ATOM 0 HH11 ARG A 15 17.684 6.162 5.832 1.00 1.90 H new ATOM 0 HH12 ARG A 15 19.078 7.016 6.503 1.00 1.90 H new ATOM 0 HH21 ARG A 15 20.690 7.388 3.392 1.00 2.42 H new ATOM 0 HH22 ARG A 15 20.772 7.707 5.127 1.00 2.42 H new ATOM 248 N HIS A 16 14.117 2.846 4.676 1.00 0.50 N ATOM 249 CA HIS A 16 13.449 2.165 5.777 1.00 0.54 C ATOM 250 C HIS A 16 11.983 2.561 5.862 1.00 0.57 C ATOM 251 O HIS A 16 11.154 1.794 6.352 1.00 0.97 O ATOM 252 CB HIS A 16 14.146 2.488 7.100 1.00 0.67 C ATOM 253 CG HIS A 16 15.376 1.672 7.343 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.703 1.118 8.560 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.369 1.318 6.490 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.859 0.460 8.413 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.306 0.549 7.175 1.00 0.86 N ATOM 0 H HIS A 16 14.699 3.633 4.963 1.00 0.50 H new ATOM 0 HA HIS A 16 13.506 1.093 5.589 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.413 3.545 7.112 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.445 2.327 7.919 1.00 0.67 H new ATOM 0 HD1 HIS A 16 15.161 1.195 9.420 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.424 1.589 5.446 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.361 -0.075 9.206 1.00 1.02 H new ATOM 265 N THR A 17 11.663 3.759 5.387 1.00 0.43 N ATOM 266 CA THR A 17 10.284 4.236 5.422 1.00 0.42 C ATOM 267 C THR A 17 9.811 4.652 4.035 1.00 0.38 C ATOM 268 O THR A 17 10.289 5.635 3.476 1.00 0.56 O ATOM 269 CB THR A 17 10.148 5.403 6.399 1.00 0.56 C ATOM 270 OG1 THR A 17 11.286 6.244 6.340 1.00 0.65 O ATOM 271 CG2 THR A 17 9.978 4.958 7.835 1.00 0.68 C ATOM 0 H THR A 17 12.331 4.412 4.977 1.00 0.43 H new ATOM 0 HA THR A 17 9.653 3.415 5.763 1.00 0.42 H new ATOM 0 HB THR A 17 9.250 5.937 6.090 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.178 6.985 6.972 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.887 5.833 8.479 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.079 4.348 7.923 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.845 4.372 8.140 1.00 0.68 H new ATOM 279 N VAL A 18 8.869 3.894 3.488 1.00 0.27 N ATOM 280 CA VAL A 18 8.331 4.179 2.165 1.00 0.33 C ATOM 281 C VAL A 18 6.916 4.739 2.255 1.00 0.32 C ATOM 282 O VAL A 18 5.975 4.028 2.605 1.00 0.51 O ATOM 283 CB VAL A 18 8.326 2.912 1.277 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.628 3.167 -0.053 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.747 2.421 1.048 1.00 0.46 C ATOM 0 H VAL A 18 8.462 3.076 3.941 1.00 0.27 H new ATOM 0 HA VAL A 18 8.980 4.927 1.710 1.00 0.33 H new ATOM 0 HB VAL A 18 7.766 2.138 1.802 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.643 2.256 -0.652 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.595 3.465 0.129 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.146 3.962 -0.589 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.727 1.529 0.422 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.326 3.200 0.552 1.00 0.46 H new ATOM 0 HG23 VAL A 18 10.208 2.181 2.006 1.00 0.46 H new ATOM 295 N THR A 19 6.771 6.016 1.925 1.00 0.27 N ATOM 296 CA THR A 19 5.471 6.664 1.952 1.00 0.24 C ATOM 297 C THR A 19 4.761 6.496 0.622 1.00 0.22 C ATOM 298 O THR A 19 5.403 6.430 -0.429 1.00 0.34 O ATOM 299 CB THR A 19 5.589 8.150 2.255 1.00 0.28 C ATOM 300 OG1 THR A 19 6.139 8.368 3.542 1.00 0.35 O ATOM 301 CG2 THR A 19 4.246 8.841 2.187 1.00 0.32 C ATOM 0 H THR A 19 7.539 6.622 1.636 1.00 0.27 H new ATOM 0 HA THR A 19 4.896 6.185 2.745 1.00 0.24 H new ATOM 0 HB THR A 19 6.249 8.568 1.495 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.205 9.331 3.711 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.370 9.901 2.409 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.828 8.727 1.187 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.570 8.394 2.916 1.00 0.32 H new ATOM 309 N LEU A 20 3.433 6.445 0.676 1.00 0.28 N ATOM 310 CA LEU A 20 2.628 6.286 -0.528 1.00 0.26 C ATOM 311 C LEU A 20 1.268 6.952 -0.400 1.00 0.28 C ATOM 312 O LEU A 20 0.738 7.130 0.699 1.00 0.40 O ATOM 313 CB LEU A 20 2.441 4.804 -0.867 1.00 0.33 C ATOM 314 CG LEU A 20 2.902 3.821 0.209 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.860 2.748 0.425 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.238 3.232 -0.185 1.00 0.50 C ATOM 0 H LEU A 20 2.894 6.511 1.539 1.00 0.28 H new ATOM 0 HA LEU A 20 3.172 6.778 -1.335 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.385 4.626 -1.069 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.983 4.588 -1.788 1.00 0.33 H new ATOM 0 HG LEU A 20 3.026 4.347 1.156 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.204 2.056 1.194 1.00 0.52 H new ATOM 0 HD12 LEU A 20 0.924 3.208 0.743 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.699 2.204 -0.506 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.567 2.531 0.582 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.139 2.709 -1.136 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.973 4.031 -0.285 1.00 0.50 H new ATOM 328 N LYS A 21 0.715 7.309 -1.550 1.00 0.25 N ATOM 329 CA LYS A 21 -0.588 7.955 -1.616 1.00 0.31 C ATOM 330 C LYS A 21 -1.351 7.477 -2.850 1.00 0.31 C ATOM 331 O LYS A 21 -0.752 7.220 -3.891 1.00 0.51 O ATOM 332 CB LYS A 21 -0.414 9.475 -1.652 1.00 0.40 C ATOM 333 CG LYS A 21 -1.648 10.242 -1.211 1.00 0.81 C ATOM 334 CD LYS A 21 -2.743 10.176 -2.260 1.00 0.95 C ATOM 335 CE LYS A 21 -3.442 11.515 -2.427 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.273 11.559 -3.663 1.00 1.84 N ATOM 0 H LYS A 21 1.154 7.160 -2.459 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.163 7.688 -0.729 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.423 9.751 -1.011 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.152 9.778 -2.666 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.017 9.832 -0.271 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.384 11.283 -1.023 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.315 9.867 -3.214 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.473 9.417 -1.977 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.073 11.706 -1.559 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -2.698 12.311 -2.461 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -5.001 12.295 -3.566 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.668 11.776 -4.481 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.731 10.636 -3.807 1.00 1.84 H new ATOM 350 N TRP A 22 -2.670 7.348 -2.732 1.00 0.25 N ATOM 351 CA TRP A 22 -3.481 6.891 -3.855 1.00 0.24 C ATOM 352 C TRP A 22 -4.803 7.651 -3.938 1.00 0.24 C ATOM 353 O TRP A 22 -5.015 8.625 -3.217 1.00 0.40 O ATOM 354 CB TRP A 22 -3.738 5.394 -3.741 1.00 0.27 C ATOM 355 CG TRP A 22 -4.320 4.977 -2.437 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.604 4.592 -2.209 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.641 4.892 -1.182 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.769 4.271 -0.887 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.579 4.448 -0.236 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.331 5.147 -0.764 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.254 4.254 1.099 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.008 4.952 0.566 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.970 4.509 1.485 1.00 0.32 C ATOM 0 H TRP A 22 -3.194 7.551 -1.881 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.926 7.090 -4.772 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.412 5.090 -4.542 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.799 4.862 -3.895 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.380 4.546 -2.959 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.638 3.952 -0.458 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.586 5.490 -1.467 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.993 3.913 1.809 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.000 5.144 0.902 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.689 4.367 2.518 1.00 0.32 H new ATOM 374 N ALA A 23 -5.689 7.210 -4.827 1.00 0.31 N ATOM 375 CA ALA A 23 -6.978 7.867 -4.999 1.00 0.33 C ATOM 376 C ALA A 23 -8.089 7.179 -4.212 1.00 0.36 C ATOM 377 O ALA A 23 -7.982 6.009 -3.843 1.00 0.83 O ATOM 378 CB ALA A 23 -7.339 7.930 -6.475 1.00 0.36 C ATOM 0 H ALA A 23 -5.538 6.405 -5.435 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.883 8.878 -4.603 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.304 8.423 -6.593 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.576 8.493 -7.012 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.396 6.919 -6.879 1.00 0.36 H new ATOM 384 N LYS A 24 -9.162 7.929 -3.967 1.00 0.59 N ATOM 385 CA LYS A 24 -10.320 7.428 -3.232 1.00 0.61 C ATOM 386 C LYS A 24 -11.317 6.794 -4.196 1.00 0.59 C ATOM 387 O LYS A 24 -11.551 7.318 -5.285 1.00 0.69 O ATOM 388 CB LYS A 24 -10.987 8.582 -2.474 1.00 0.74 C ATOM 389 CG LYS A 24 -11.888 8.144 -1.331 1.00 1.21 C ATOM 390 CD LYS A 24 -13.258 7.711 -1.829 1.00 1.22 C ATOM 391 CE LYS A 24 -14.315 8.760 -1.520 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.683 8.175 -1.461 1.00 2.11 N ATOM 0 H LYS A 24 -9.252 8.898 -4.272 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.991 6.672 -2.519 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.211 9.237 -2.078 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.574 9.172 -3.178 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.419 7.320 -0.793 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.001 8.964 -0.622 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.218 7.537 -2.904 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.534 6.765 -1.363 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.084 9.238 -0.568 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.286 9.539 -2.282 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.372 8.924 -1.248 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.915 7.741 -2.377 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.719 7.450 -0.716 1.00 2.11 H new ATOM 406 N PRO A 25 -11.927 5.659 -3.815 1.00 0.56 N ATOM 407 CA PRO A 25 -12.899 4.974 -4.660 1.00 0.63 C ATOM 408 C PRO A 25 -13.896 5.945 -5.280 1.00 0.75 C ATOM 409 O PRO A 25 -13.948 7.118 -4.909 1.00 0.89 O ATOM 410 CB PRO A 25 -13.608 4.000 -3.707 1.00 0.63 C ATOM 411 CG PRO A 25 -13.036 4.252 -2.346 1.00 0.71 C ATOM 412 CD PRO A 25 -11.725 4.957 -2.547 1.00 0.58 C ATOM 0 HA PRO A 25 -12.422 4.472 -5.502 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.685 4.166 -3.713 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.443 2.967 -4.013 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.714 4.861 -1.749 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.892 3.315 -1.808 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.508 5.648 -1.732 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.892 4.256 -2.601 1.00 0.58 H new ATOM 420 N GLU A 26 -14.680 5.455 -6.232 1.00 0.85 N ATOM 421 CA GLU A 26 -15.667 6.289 -6.907 1.00 1.05 C ATOM 422 C GLU A 26 -17.091 5.773 -6.704 1.00 0.95 C ATOM 423 O GLU A 26 -18.051 6.414 -7.134 1.00 1.12 O ATOM 424 CB GLU A 26 -15.354 6.367 -8.402 1.00 1.29 C ATOM 425 CG GLU A 26 -14.012 7.012 -8.711 1.00 1.83 C ATOM 426 CD GLU A 26 -12.932 5.994 -9.023 1.00 2.18 C ATOM 427 OE1 GLU A 26 -12.816 5.593 -10.201 1.00 2.53 O ATOM 428 OE2 GLU A 26 -12.203 5.596 -8.090 1.00 2.77 O ATOM 0 H GLU A 26 -14.652 4.487 -6.554 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.609 7.284 -6.465 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.369 5.361 -8.821 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.142 6.931 -8.901 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.125 7.688 -9.559 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.700 7.618 -7.860 1.00 1.83 H new ATOM 435 N TYR A 27 -17.238 4.621 -6.053 1.00 0.85 N ATOM 436 CA TYR A 27 -18.562 4.061 -5.820 1.00 0.84 C ATOM 437 C TYR A 27 -18.675 3.418 -4.437 1.00 0.86 C ATOM 438 O TYR A 27 -19.321 3.972 -3.554 1.00 1.37 O ATOM 439 CB TYR A 27 -18.910 3.047 -6.914 1.00 0.86 C ATOM 440 CG TYR A 27 -20.396 2.900 -7.151 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.082 3.797 -7.959 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.111 1.865 -6.564 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.440 3.666 -8.177 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.470 1.725 -6.776 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.128 2.632 -7.591 1.00 1.19 C ATOM 446 OH TYR A 27 -24.482 2.494 -7.798 1.00 1.35 O ATOM 0 H TYR A 27 -16.467 4.066 -5.683 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.278 4.882 -5.855 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.430 3.350 -7.845 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.496 2.076 -6.643 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.545 4.610 -8.425 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.597 1.157 -5.931 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.959 4.374 -8.806 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.014 0.916 -6.311 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.809 1.709 -7.311 1.00 1.35 H new ATOM 456 N THR A 28 -18.057 2.243 -4.267 1.00 0.65 N ATOM 457 CA THR A 28 -18.086 1.492 -3.001 1.00 0.61 C ATOM 458 C THR A 28 -19.391 0.713 -2.817 1.00 0.66 C ATOM 459 O THR A 28 -19.373 -0.414 -2.324 1.00 0.81 O ATOM 460 CB THR A 28 -17.824 2.386 -1.782 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.984 3.100 -1.396 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.704 3.380 -1.996 1.00 0.79 C ATOM 0 HA THR A 28 -17.270 0.772 -3.069 1.00 0.61 H new ATOM 0 HB THR A 28 -17.527 1.697 -0.992 1.00 0.64 H new ATOM 0 HG1 THR A 28 -19.325 3.609 -2.161 1.00 0.91 H new ATOM 0 HG21 THR A 28 -16.572 3.979 -1.095 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.780 2.845 -2.214 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.952 4.033 -2.833 1.00 0.79 H new ATOM 470 N GLY A 29 -20.519 1.303 -3.204 1.00 0.75 N ATOM 471 CA GLY A 29 -21.791 0.627 -3.054 1.00 0.80 C ATOM 472 C GLY A 29 -22.707 1.369 -2.101 1.00 0.85 C ATOM 473 O GLY A 29 -23.558 2.153 -2.522 1.00 1.01 O ATOM 0 H GLY A 29 -20.572 2.234 -3.617 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.273 0.537 -4.027 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.625 -0.385 -2.686 1.00 0.80 H new ATOM 477 N GLY A 30 -22.511 1.131 -0.813 1.00 0.83 N ATOM 478 CA GLY A 30 -23.296 1.787 0.215 1.00 0.89 C ATOM 479 C GLY A 30 -22.503 1.874 1.498 1.00 0.85 C ATOM 480 O GLY A 30 -23.056 1.884 2.597 1.00 0.98 O ATOM 0 H GLY A 30 -21.809 0.483 -0.456 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.579 2.787 -0.115 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.220 1.234 0.386 1.00 0.89 H new ATOM 484 N PHE A 31 -21.186 1.908 1.335 1.00 0.73 N ATOM 485 CA PHE A 31 -20.254 1.958 2.444 1.00 0.69 C ATOM 486 C PHE A 31 -19.440 3.247 2.429 1.00 0.67 C ATOM 487 O PHE A 31 -19.638 4.115 1.579 1.00 0.74 O ATOM 488 CB PHE A 31 -19.302 0.770 2.328 1.00 0.63 C ATOM 489 CG PHE A 31 -19.926 -0.456 1.706 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.789 -1.259 2.437 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.637 -0.809 0.397 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.354 -2.387 1.872 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.198 -1.936 -0.170 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.091 -2.702 0.553 1.00 0.83 C ATOM 0 H PHE A 31 -20.736 1.901 0.420 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.818 1.922 3.376 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.437 1.067 1.734 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.934 0.514 3.321 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.022 -1.000 3.459 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.966 -0.196 -0.186 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.000 -3.021 2.461 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.938 -2.219 -1.179 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.582 -3.544 0.089 1.00 0.83 H new ATOM 504 N LYS A 32 -18.514 3.354 3.377 1.00 0.68 N ATOM 505 CA LYS A 32 -17.649 4.527 3.482 1.00 0.72 C ATOM 506 C LYS A 32 -16.185 4.139 3.731 1.00 0.66 C ATOM 507 O LYS A 32 -15.316 5.007 3.793 1.00 0.74 O ATOM 508 CB LYS A 32 -18.143 5.442 4.608 1.00 0.86 C ATOM 509 CG LYS A 32 -17.326 6.716 4.764 1.00 1.38 C ATOM 510 CD LYS A 32 -16.210 6.545 5.784 1.00 1.38 C ATOM 511 CE LYS A 32 -16.263 7.620 6.856 1.00 1.50 C ATOM 512 NZ LYS A 32 -16.206 8.989 6.275 1.00 2.26 N ATOM 0 H LYS A 32 -18.342 2.641 4.086 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.695 5.056 2.530 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -19.183 5.709 4.418 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.122 4.890 5.548 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.899 6.995 3.801 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.979 7.532 5.072 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.289 5.562 6.249 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -15.245 6.582 5.278 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -17.180 7.510 7.435 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.431 7.484 7.547 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.811 9.647 6.976 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.603 8.982 5.428 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -17.165 9.296 6.014 1.00 2.26 H new ATOM 526 N ILE A 33 -15.910 2.838 3.879 1.00 0.67 N ATOM 527 CA ILE A 33 -14.555 2.361 4.130 1.00 0.66 C ATOM 528 C ILE A 33 -14.017 2.942 5.433 1.00 0.80 C ATOM 529 O ILE A 33 -14.255 4.107 5.749 1.00 1.71 O ATOM 530 CB ILE A 33 -13.600 2.717 2.977 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.240 2.377 1.630 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.272 1.984 3.143 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.338 2.654 0.449 1.00 0.91 C ATOM 0 H ILE A 33 -16.612 2.100 3.828 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.606 1.275 4.207 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.406 3.789 3.003 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.520 1.323 1.625 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -15.160 2.951 1.518 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.607 2.246 2.320 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.812 2.274 4.088 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.447 0.908 3.140 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.855 2.390 -0.474 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -13.079 3.713 0.430 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.429 2.059 0.538 1.00 0.91 H new ATOM 545 N THR A 34 -13.303 2.128 6.199 1.00 0.72 N ATOM 546 CA THR A 34 -12.758 2.586 7.471 1.00 0.73 C ATOM 547 C THR A 34 -11.243 2.403 7.554 1.00 0.59 C ATOM 548 O THR A 34 -10.650 2.628 8.609 1.00 0.76 O ATOM 549 CB THR A 34 -13.435 1.847 8.624 1.00 0.99 C ATOM 550 OG1 THR A 34 -12.854 0.568 8.808 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.922 1.653 8.418 1.00 1.15 C ATOM 0 H THR A 34 -13.089 1.158 5.966 1.00 0.72 H new ATOM 0 HA THR A 34 -12.961 3.654 7.545 1.00 0.73 H new ATOM 0 HB THR A 34 -13.286 2.477 9.501 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.299 0.110 9.552 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.341 1.122 9.272 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.406 2.625 8.322 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.091 1.072 7.511 1.00 1.15 H new ATOM 559 N SER A 35 -10.614 2.000 6.453 1.00 0.49 N ATOM 560 CA SER A 35 -9.167 1.804 6.448 1.00 0.47 C ATOM 561 C SER A 35 -8.665 1.295 5.101 1.00 0.45 C ATOM 562 O SER A 35 -9.433 0.785 4.288 1.00 0.72 O ATOM 563 CB SER A 35 -8.756 0.819 7.545 1.00 0.64 C ATOM 564 OG SER A 35 -9.885 0.188 8.124 1.00 1.58 O ATOM 0 H SER A 35 -11.075 1.805 5.565 1.00 0.49 H new ATOM 0 HA SER A 35 -8.713 2.777 6.636 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.090 0.064 7.127 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.196 1.346 8.318 1.00 0.64 H new ATOM 0 HG SER A 35 -10.089 0.609 8.985 1.00 1.58 H new ATOM 570 N TYR A 36 -7.360 1.434 4.889 1.00 0.27 N ATOM 571 CA TYR A 36 -6.716 0.991 3.662 1.00 0.28 C ATOM 572 C TYR A 36 -5.511 0.113 3.984 1.00 0.33 C ATOM 573 O TYR A 36 -4.448 0.617 4.336 1.00 0.68 O ATOM 574 CB TYR A 36 -6.279 2.194 2.835 1.00 0.29 C ATOM 575 CG TYR A 36 -7.429 3.048 2.354 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.455 2.506 1.590 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.487 4.399 2.666 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.507 3.290 1.151 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.533 5.189 2.231 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.541 4.630 1.475 1.00 0.60 C ATOM 581 OH TYR A 36 -10.586 5.413 1.040 1.00 0.76 O ATOM 0 H TYR A 36 -6.722 1.857 5.563 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.432 0.406 3.084 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.606 2.809 3.432 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.711 1.845 1.973 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.431 1.457 1.335 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.700 4.840 3.260 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.298 2.855 0.558 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.561 6.239 2.482 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.459 6.332 1.355 1.00 0.76 H new ATOM 591 N ILE A 37 -5.683 -1.202 3.868 1.00 0.24 N ATOM 592 CA ILE A 37 -4.599 -2.139 4.161 1.00 0.26 C ATOM 593 C ILE A 37 -3.736 -2.378 2.923 1.00 0.33 C ATOM 594 O ILE A 37 -4.235 -2.800 1.886 1.00 0.70 O ATOM 595 CB ILE A 37 -5.107 -3.511 4.680 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.577 -3.468 5.138 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.226 -3.992 5.820 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.527 -4.127 4.164 1.00 1.14 C ATOM 0 H ILE A 37 -6.556 -1.641 3.575 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.011 -1.672 4.951 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.052 -4.208 3.844 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.663 -3.959 6.107 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.876 -2.429 5.280 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.589 -4.955 6.179 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.200 -4.099 5.467 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -4.256 -3.267 6.634 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.545 -4.061 4.548 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.469 -3.621 3.200 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.253 -5.175 4.041 1.00 1.14 H new ATOM 610 N VAL A 38 -2.439 -2.109 3.042 1.00 0.36 N ATOM 611 CA VAL A 38 -1.511 -2.298 1.928 1.00 0.42 C ATOM 612 C VAL A 38 -0.557 -3.464 2.206 1.00 0.35 C ATOM 613 O VAL A 38 0.070 -3.533 3.263 1.00 0.48 O ATOM 614 CB VAL A 38 -0.725 -0.990 1.646 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.248 -0.365 2.947 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.439 -1.207 0.683 1.00 0.51 C ATOM 0 H VAL A 38 -2.006 -1.760 3.897 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.089 -2.545 1.038 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.411 -0.299 1.156 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.301 0.551 2.731 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.108 -0.133 3.576 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.405 -1.065 3.469 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.956 -0.262 0.519 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.133 -1.931 1.109 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.060 -1.583 -0.267 1.00 0.51 H new ATOM 626 N GLU A 39 -0.468 -4.387 1.245 1.00 0.30 N ATOM 627 CA GLU A 39 0.390 -5.566 1.376 1.00 0.33 C ATOM 628 C GLU A 39 1.802 -5.317 0.840 1.00 0.32 C ATOM 629 O GLU A 39 1.982 -4.724 -0.221 1.00 0.43 O ATOM 630 CB GLU A 39 -0.237 -6.752 0.642 1.00 0.42 C ATOM 631 CG GLU A 39 -1.754 -6.792 0.725 1.00 0.51 C ATOM 632 CD GLU A 39 -2.284 -8.177 1.035 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.989 -9.113 0.262 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.994 -8.327 2.051 1.00 1.67 O ATOM 0 H GLU A 39 -0.982 -4.340 0.365 1.00 0.30 H new ATOM 0 HA GLU A 39 0.475 -5.789 2.440 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.059 -6.716 -0.406 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.165 -7.677 1.056 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.091 -6.098 1.495 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.175 -6.449 -0.220 1.00 0.51 H new ATOM 641 N LYS A 40 2.793 -5.777 1.601 1.00 0.28 N ATOM 642 CA LYS A 40 4.211 -5.619 1.255 1.00 0.31 C ATOM 643 C LYS A 40 4.827 -6.871 0.628 1.00 0.29 C ATOM 644 O LYS A 40 4.692 -7.973 1.156 1.00 0.35 O ATOM 645 CB LYS A 40 5.000 -5.307 2.522 1.00 0.43 C ATOM 646 CG LYS A 40 5.191 -3.845 2.775 1.00 0.92 C ATOM 647 CD LYS A 40 6.644 -3.439 2.566 1.00 1.14 C ATOM 648 CE LYS A 40 7.546 -4.071 3.613 1.00 1.65 C ATOM 649 NZ LYS A 40 7.460 -3.366 4.921 1.00 1.97 N ATOM 0 H LYS A 40 2.638 -6.272 2.479 1.00 0.28 H new ATOM 0 HA LYS A 40 4.262 -4.814 0.522 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.486 -5.749 3.376 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.978 -5.785 2.456 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.550 -3.270 2.107 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.886 -3.606 3.794 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.970 -3.742 1.571 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.732 -2.354 2.614 1.00 1.14 H new ATOM 0 HE2 LYS A 40 7.270 -5.117 3.746 1.00 1.65 H new ATOM 0 HE3 LYS A 40 8.577 -4.056 3.260 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.406 -3.315 5.351 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.095 -2.404 4.773 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.819 -3.886 5.554 1.00 1.97 H new ATOM 663 N ARG A 41 5.544 -6.681 -0.479 1.00 0.36 N ATOM 664 CA ARG A 41 6.218 -7.788 -1.149 1.00 0.40 C ATOM 665 C ARG A 41 7.729 -7.590 -1.096 1.00 0.41 C ATOM 666 O ARG A 41 8.278 -6.722 -1.780 1.00 0.43 O ATOM 667 CB ARG A 41 5.767 -7.927 -2.603 1.00 0.46 C ATOM 668 CG ARG A 41 6.373 -9.137 -3.300 1.00 0.58 C ATOM 669 CD ARG A 41 5.960 -9.211 -4.760 1.00 0.88 C ATOM 670 NE ARG A 41 5.022 -10.301 -5.010 1.00 0.95 N ATOM 671 CZ ARG A 41 4.636 -10.676 -6.226 1.00 1.13 C ATOM 672 NH1 ARG A 41 5.102 -10.047 -7.295 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.783 -11.681 -6.370 1.00 1.44 N ATOM 0 H ARG A 41 5.672 -5.774 -0.928 1.00 0.36 H new ATOM 0 HA ARG A 41 5.949 -8.704 -0.624 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.680 -8.003 -2.635 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.040 -7.025 -3.150 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.460 -9.090 -3.231 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.060 -10.047 -2.787 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.504 -8.266 -5.056 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.846 -9.346 -5.381 1.00 0.88 H new ATOM 0 HE ARG A 41 4.642 -10.803 -4.208 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.758 -9.274 -7.186 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.805 -10.336 -8.227 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.423 -12.166 -5.548 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.487 -11.969 -7.303 1.00 1.44 H new ATOM 687 N ASP A 42 8.391 -8.396 -0.272 1.00 0.50 N ATOM 688 CA ASP A 42 9.840 -8.316 -0.111 1.00 0.57 C ATOM 689 C ASP A 42 10.557 -9.027 -1.253 1.00 0.62 C ATOM 690 O ASP A 42 10.836 -10.224 -1.173 1.00 0.91 O ATOM 691 CB ASP A 42 10.270 -8.943 1.219 1.00 0.71 C ATOM 692 CG ASP A 42 9.227 -8.791 2.312 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.420 -7.841 2.232 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.218 -9.622 3.245 1.00 1.59 O ATOM 0 H ASP A 42 7.945 -9.115 0.297 1.00 0.50 H new ATOM 0 HA ASP A 42 10.114 -7.261 -0.121 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.475 -10.002 1.065 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.202 -8.482 1.547 1.00 0.71 H new ATOM 699 N LEU A 43 10.859 -8.288 -2.312 1.00 0.63 N ATOM 700 CA LEU A 43 11.548 -8.858 -3.462 1.00 0.68 C ATOM 701 C LEU A 43 12.967 -9.283 -3.083 1.00 0.81 C ATOM 702 O LEU A 43 13.578 -8.694 -2.193 1.00 0.90 O ATOM 703 CB LEU A 43 11.593 -7.848 -4.608 1.00 0.62 C ATOM 704 CG LEU A 43 10.255 -7.182 -4.928 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.465 -5.961 -5.805 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.312 -8.167 -5.600 1.00 0.70 C ATOM 0 H LEU A 43 10.639 -7.296 -2.399 1.00 0.63 H new ATOM 0 HA LEU A 43 10.996 -9.739 -3.789 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.319 -7.073 -4.362 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.956 -8.352 -5.504 1.00 0.62 H new ATOM 0 HG LEU A 43 9.800 -6.859 -3.991 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.502 -5.500 -6.023 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.101 -5.245 -5.285 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.943 -6.261 -6.738 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.366 -7.673 -5.819 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.759 -8.523 -6.528 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.134 -9.012 -4.935 1.00 0.70 H new ATOM 718 N PRO A 44 13.512 -10.320 -3.750 1.00 0.92 N ATOM 719 CA PRO A 44 12.834 -11.056 -4.815 1.00 0.99 C ATOM 720 C PRO A 44 11.928 -12.168 -4.283 1.00 1.15 C ATOM 721 O PRO A 44 11.163 -12.766 -5.040 1.00 1.43 O ATOM 722 CB PRO A 44 13.990 -11.662 -5.629 1.00 1.15 C ATOM 723 CG PRO A 44 15.253 -11.324 -4.892 1.00 1.25 C ATOM 724 CD PRO A 44 14.850 -10.858 -3.520 1.00 1.08 C ATOM 0 HA PRO A 44 12.177 -10.405 -5.392 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.873 -12.742 -5.724 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.009 -11.253 -6.639 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.906 -12.194 -4.827 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.809 -10.546 -5.416 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.840 -11.676 -2.800 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.531 -10.100 -3.132 1.00 1.08 H new ATOM 732 N ASN A 45 12.016 -12.446 -2.983 1.00 1.14 N ATOM 733 CA ASN A 45 11.196 -13.489 -2.374 1.00 1.33 C ATOM 734 C ASN A 45 9.714 -13.175 -2.539 1.00 1.43 C ATOM 735 O ASN A 45 8.975 -13.927 -3.176 1.00 2.42 O ATOM 736 CB ASN A 45 11.536 -13.640 -0.889 1.00 1.66 C ATOM 737 CG ASN A 45 12.738 -14.537 -0.656 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.599 -15.750 -0.496 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.924 -13.942 -0.631 1.00 1.89 N ATOM 0 H ASN A 45 12.642 -11.967 -2.336 1.00 1.14 H new ATOM 0 HA ASN A 45 11.412 -14.429 -2.882 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.733 -12.656 -0.463 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.674 -14.049 -0.362 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.768 -14.493 -0.474 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.992 -12.934 -0.768 1.00 1.89 H new ATOM 746 N GLY A 46 9.288 -12.056 -1.961 1.00 0.90 N ATOM 747 CA GLY A 46 7.897 -11.652 -2.053 1.00 1.12 C ATOM 748 C GLY A 46 7.028 -12.289 -0.988 1.00 0.76 C ATOM 749 O GLY A 46 7.224 -13.450 -0.628 1.00 0.96 O ATOM 0 H GLY A 46 9.883 -11.421 -1.429 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.832 -10.567 -1.967 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.511 -11.918 -3.037 1.00 1.12 H new ATOM 753 N ARG A 47 6.065 -11.523 -0.486 1.00 0.80 N ATOM 754 CA ARG A 47 5.153 -12.004 0.544 1.00 0.76 C ATOM 755 C ARG A 47 4.212 -10.888 0.996 1.00 0.85 C ATOM 756 O ARG A 47 4.249 -10.456 2.147 1.00 1.71 O ATOM 757 CB ARG A 47 5.936 -12.541 1.740 1.00 0.99 C ATOM 758 CG ARG A 47 6.886 -11.525 2.337 1.00 1.31 C ATOM 759 CD ARG A 47 6.375 -11.008 3.668 1.00 1.11 C ATOM 760 NE ARG A 47 7.189 -11.487 4.783 1.00 1.41 N ATOM 761 CZ ARG A 47 6.778 -11.500 6.046 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.568 -11.063 6.356 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.579 -11.954 6.999 1.00 2.03 N ATOM 0 H ARG A 47 5.896 -10.561 -0.779 1.00 0.80 H new ATOM 0 HA ARG A 47 4.557 -12.812 0.120 1.00 0.76 H new ATOM 0 HB2 ARG A 47 5.235 -12.868 2.508 1.00 0.99 H new ATOM 0 HB3 ARG A 47 6.502 -13.420 1.430 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.868 -11.978 2.473 1.00 1.31 H new ATOM 0 HG3 ARG A 47 7.013 -10.692 1.645 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.375 -9.918 3.659 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.342 -11.325 3.809 1.00 1.11 H new ATOM 0 HE ARG A 47 8.127 -11.831 4.580 1.00 1.41 H new ATOM 0 HH11 ARG A 47 4.948 -10.715 5.624 1.00 2.41 H new ATOM 0 HH12 ARG A 47 5.255 -11.074 7.327 1.00 2.41 H new ATOM 0 HH21 ARG A 47 8.511 -12.294 6.763 1.00 2.03 H new ATOM 0 HH22 ARG A 47 7.263 -11.964 7.969 1.00 2.03 H new ATOM 777 N TRP A 48 3.375 -10.434 0.066 1.00 0.50 N ATOM 778 CA TRP A 48 2.396 -9.368 0.308 1.00 0.43 C ATOM 779 C TRP A 48 1.849 -9.410 1.735 1.00 0.45 C ATOM 780 O TRP A 48 0.956 -10.201 2.036 1.00 0.65 O ATOM 781 CB TRP A 48 1.247 -9.504 -0.694 1.00 0.47 C ATOM 782 CG TRP A 48 1.712 -9.460 -2.114 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.709 -10.489 -3.010 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.257 -8.330 -2.802 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.218 -10.066 -4.211 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.561 -8.747 -4.111 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.517 -7.006 -2.443 1.00 0.36 C ATOM 788 CZ2 TRP A 48 3.110 -7.893 -5.058 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.064 -6.157 -3.387 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.355 -6.606 -4.681 1.00 0.38 C ATOM 0 H TRP A 48 3.354 -10.797 -0.887 1.00 0.50 H new ATOM 0 HA TRP A 48 2.898 -8.409 0.178 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.724 -10.444 -0.516 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.527 -8.703 -0.527 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.358 -11.489 -2.804 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.324 -10.643 -5.045 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.295 -6.652 -1.447 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.335 -8.236 -6.057 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.270 -5.131 -3.122 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.783 -5.918 -5.395 1.00 0.38 H new ATOM 801 N LEU A 49 2.391 -8.567 2.622 1.00 0.38 N ATOM 802 CA LEU A 49 1.932 -8.557 4.011 1.00 0.42 C ATOM 803 C LEU A 49 1.489 -7.168 4.464 1.00 0.36 C ATOM 804 O LEU A 49 2.119 -6.162 4.142 1.00 0.39 O ATOM 805 CB LEU A 49 3.029 -9.082 4.937 1.00 0.52 C ATOM 806 CG LEU A 49 2.596 -10.213 5.875 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.254 -9.896 6.519 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.528 -11.532 5.121 1.00 0.84 C ATOM 0 H LEU A 49 3.131 -7.898 2.408 1.00 0.38 H new ATOM 0 HA LEU A 49 1.063 -9.213 4.066 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.861 -9.434 4.327 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.403 -8.254 5.539 1.00 0.52 H new ATOM 0 HG LEU A 49 3.340 -10.305 6.666 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.966 -10.713 7.181 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.335 -8.974 7.095 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.498 -9.774 5.743 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.219 -12.325 5.802 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.806 -11.450 4.308 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.510 -11.768 4.711 1.00 0.84 H new ATOM 820 N LYS A 50 0.395 -7.133 5.222 1.00 0.40 N ATOM 821 CA LYS A 50 -0.148 -5.878 5.734 1.00 0.40 C ATOM 822 C LYS A 50 0.893 -5.133 6.559 1.00 0.47 C ATOM 823 O LYS A 50 0.947 -5.277 7.781 1.00 0.85 O ATOM 824 CB LYS A 50 -1.397 -6.128 6.591 1.00 0.59 C ATOM 825 CG LYS A 50 -2.250 -7.302 6.127 1.00 0.72 C ATOM 826 CD LYS A 50 -3.699 -7.179 6.587 1.00 1.03 C ATOM 827 CE LYS A 50 -3.804 -6.821 8.063 1.00 0.86 C ATOM 828 NZ LYS A 50 -5.008 -7.428 8.698 1.00 1.30 N ATOM 0 H LYS A 50 -0.133 -7.962 5.495 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.425 -5.267 4.875 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.087 -6.304 7.621 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.010 -5.226 6.591 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.220 -7.363 5.039 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.827 -8.230 6.510 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -4.204 -6.417 5.993 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -4.218 -8.120 6.405 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.909 -7.161 8.584 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.844 -5.737 8.172 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.043 -7.160 9.702 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.864 -7.084 8.218 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.958 -8.464 8.617 1.00 1.30 H new ATOM 842 N ALA A 51 1.715 -4.334 5.889 1.00 0.45 N ATOM 843 CA ALA A 51 2.747 -3.567 6.571 1.00 0.63 C ATOM 844 C ALA A 51 2.131 -2.636 7.601 1.00 0.55 C ATOM 845 O ALA A 51 2.527 -2.626 8.766 1.00 0.72 O ATOM 846 CB ALA A 51 3.560 -2.766 5.568 1.00 0.86 C ATOM 0 H ALA A 51 1.686 -4.201 4.878 1.00 0.45 H new ATOM 0 HA ALA A 51 3.407 -4.266 7.084 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.328 -2.198 6.093 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.033 -3.445 4.858 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.904 -2.080 5.032 1.00 0.86 H new ATOM 852 N ASN A 52 1.156 -1.852 7.159 1.00 0.42 N ATOM 853 CA ASN A 52 0.480 -0.910 8.037 1.00 0.43 C ATOM 854 C ASN A 52 -0.223 -1.630 9.180 1.00 0.59 C ATOM 855 O ASN A 52 -0.648 -2.777 9.042 1.00 1.60 O ATOM 856 CB ASN A 52 -0.535 -0.090 7.246 1.00 0.38 C ATOM 857 CG ASN A 52 -1.691 -0.936 6.751 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.569 -1.656 5.760 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.823 -0.851 7.439 1.00 0.62 N ATOM 0 H ASN A 52 0.817 -1.851 6.197 1.00 0.42 H new ATOM 0 HA ASN A 52 1.234 -0.246 8.460 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.918 0.715 7.874 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.039 0.378 6.396 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.636 -1.396 7.152 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.880 -0.241 8.255 1.00 0.62 H new ATOM 866 N PHE A 53 -0.343 -0.942 10.309 1.00 0.81 N ATOM 867 CA PHE A 53 -0.995 -1.499 11.485 1.00 0.82 C ATOM 868 C PHE A 53 -1.455 -0.387 12.418 1.00 0.84 C ATOM 869 O PHE A 53 -1.554 -0.578 13.631 1.00 1.20 O ATOM 870 CB PHE A 53 -0.049 -2.445 12.228 1.00 0.96 C ATOM 871 CG PHE A 53 -0.735 -3.664 12.774 1.00 1.15 C ATOM 872 CD1 PHE A 53 -2.053 -3.606 13.197 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.058 -4.869 12.866 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.683 -4.728 13.700 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.681 -5.992 13.368 1.00 2.08 C ATOM 876 CZ PHE A 53 -2.011 -5.915 13.783 1.00 1.96 C ATOM 0 H PHE A 53 0.006 0.008 10.434 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.867 -2.063 11.154 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.747 -2.757 11.552 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.424 -1.905 13.048 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.594 -2.673 13.133 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.970 -4.930 12.541 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.710 -4.667 14.029 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.143 -6.926 13.440 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.509 -6.792 14.169 1.00 1.96 H new ATOM 886 N SER A 54 -1.733 0.778 11.843 1.00 0.79 N ATOM 887 CA SER A 54 -2.181 1.928 12.619 1.00 0.89 C ATOM 888 C SER A 54 -3.426 2.548 11.995 1.00 0.95 C ATOM 889 O SER A 54 -3.650 3.753 12.099 1.00 1.89 O ATOM 890 CB SER A 54 -1.067 2.972 12.708 1.00 1.00 C ATOM 891 OG SER A 54 0.192 2.357 12.916 1.00 1.71 O ATOM 0 H SER A 54 -1.656 0.951 10.841 1.00 0.79 H new ATOM 0 HA SER A 54 -2.430 1.586 13.624 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.041 3.560 11.790 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.277 3.664 13.524 1.00 1.00 H new ATOM 0 HG SER A 54 0.888 3.045 12.968 1.00 1.71 H new ATOM 897 N ASN A 55 -4.232 1.715 11.346 1.00 0.75 N ATOM 898 CA ASN A 55 -5.455 2.182 10.705 1.00 0.69 C ATOM 899 C ASN A 55 -5.144 3.255 9.664 1.00 0.66 C ATOM 900 O ASN A 55 -4.738 4.367 10.007 1.00 1.05 O ATOM 901 CB ASN A 55 -6.423 2.735 11.751 1.00 0.84 C ATOM 902 CG ASN A 55 -7.807 2.127 11.640 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.444 2.316 10.490 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.299 1.495 12.575 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.061 0.714 11.250 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.921 1.335 10.202 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.024 2.544 12.747 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.495 3.817 11.639 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -7.774 1.374 13.441 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.232 1.092 12.484 1.00 0.83 H new ATOM 911 N ILE A 56 -5.335 2.914 8.394 1.00 0.40 N ATOM 912 CA ILE A 56 -5.073 3.848 7.305 1.00 0.33 C ATOM 913 C ILE A 56 -6.366 4.465 6.782 1.00 0.31 C ATOM 914 O ILE A 56 -6.820 4.145 5.683 1.00 0.53 O ATOM 915 CB ILE A 56 -4.333 3.160 6.141 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.096 2.423 6.661 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.948 4.180 5.083 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.234 1.834 5.567 1.00 0.69 C ATOM 0 H ILE A 56 -5.670 1.999 8.094 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.440 4.637 7.711 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.000 2.430 5.684 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.495 3.113 7.253 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.415 1.624 7.330 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.426 3.679 4.268 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.847 4.661 4.697 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.294 4.933 5.524 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.377 1.328 6.012 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.818 1.118 4.989 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.884 2.631 4.911 1.00 0.69 H new ATOM 930 N LEU A 57 -6.956 5.353 7.579 1.00 0.44 N ATOM 931 CA LEU A 57 -8.199 6.019 7.200 1.00 0.45 C ATOM 932 C LEU A 57 -8.086 6.627 5.804 1.00 0.42 C ATOM 933 O LEU A 57 -8.552 6.043 4.826 1.00 0.60 O ATOM 934 CB LEU A 57 -8.552 7.104 8.221 1.00 0.48 C ATOM 935 CG LEU A 57 -9.820 6.841 9.037 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.995 6.551 8.117 1.00 0.72 C ATOM 937 CD2 LEU A 57 -9.602 5.690 10.009 1.00 1.60 C ATOM 0 H LEU A 57 -6.593 5.628 8.492 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.994 5.274 7.186 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.714 7.220 8.908 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.667 8.052 7.695 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.050 7.737 9.614 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.888 6.366 8.714 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -11.166 7.407 7.464 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.775 5.671 7.512 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.514 5.518 10.580 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -9.346 4.788 9.453 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -8.789 5.939 10.691 1.00 1.60 H new ATOM 949 N GLU A 58 -7.461 7.798 5.717 1.00 0.39 N ATOM 950 CA GLU A 58 -7.285 8.475 4.443 1.00 0.43 C ATOM 951 C GLU A 58 -6.404 7.640 3.528 1.00 0.51 C ATOM 952 O GLU A 58 -5.785 6.670 3.965 1.00 1.09 O ATOM 953 CB GLU A 58 -6.661 9.856 4.654 1.00 0.44 C ATOM 954 CG GLU A 58 -5.439 9.837 5.561 1.00 0.44 C ATOM 955 CD GLU A 58 -5.628 10.647 6.830 1.00 0.75 C ATOM 956 OE1 GLU A 58 -6.743 11.163 7.050 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.657 10.765 7.607 1.00 1.29 O ATOM 0 H GLU A 58 -7.069 8.295 6.517 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.262 8.602 3.978 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.379 10.270 3.686 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.410 10.523 5.080 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.207 8.806 5.826 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.581 10.226 5.013 1.00 0.44 H new ATOM 964 N ASN A 59 -6.347 8.016 2.260 1.00 0.31 N ATOM 965 CA ASN A 59 -5.535 7.286 1.294 1.00 0.28 C ATOM 966 C ASN A 59 -4.107 7.824 1.242 1.00 0.28 C ATOM 967 O ASN A 59 -3.554 8.051 0.166 1.00 0.49 O ATOM 968 CB ASN A 59 -6.167 7.336 -0.095 1.00 0.32 C ATOM 969 CG ASN A 59 -6.706 8.710 -0.450 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.919 8.920 -0.499 1.00 1.75 O ATOM 971 ND2 ASN A 59 -5.807 9.655 -0.697 1.00 0.91 N ATOM 0 H ASN A 59 -6.849 8.817 1.876 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.493 6.248 1.624 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.425 7.039 -0.837 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.978 6.609 -0.146 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.112 10.598 -0.938 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -4.812 9.438 -0.645 1.00 0.91 H new ATOM 978 N GLU A 60 -3.518 8.013 2.417 1.00 0.29 N ATOM 979 CA GLU A 60 -2.152 8.508 2.532 1.00 0.29 C ATOM 980 C GLU A 60 -1.473 7.839 3.716 1.00 0.27 C ATOM 981 O GLU A 60 -1.709 8.205 4.868 1.00 0.35 O ATOM 982 CB GLU A 60 -2.143 10.028 2.700 1.00 0.34 C ATOM 983 CG GLU A 60 -0.752 10.609 2.890 1.00 0.49 C ATOM 984 CD GLU A 60 -0.775 12.104 3.144 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.882 12.676 3.223 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.315 12.702 3.263 1.00 1.91 O ATOM 0 H GLU A 60 -3.971 7.829 3.312 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.606 8.267 1.620 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.602 10.485 1.824 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.760 10.294 3.558 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.265 10.109 3.727 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.152 10.404 2.003 1.00 0.49 H new ATOM 993 N PHE A 61 -0.646 6.841 3.431 1.00 0.24 N ATOM 994 CA PHE A 61 0.041 6.107 4.486 1.00 0.24 C ATOM 995 C PHE A 61 1.516 5.899 4.173 1.00 0.24 C ATOM 996 O PHE A 61 1.956 6.070 3.037 1.00 0.25 O ATOM 997 CB PHE A 61 -0.635 4.750 4.685 1.00 0.28 C ATOM 998 CG PHE A 61 0.054 3.869 5.679 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.227 3.987 7.029 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.978 2.925 5.268 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.401 3.179 7.953 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.613 2.112 6.187 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.339 2.231 7.514 1.00 0.48 C ATOM 0 H PHE A 61 -0.436 6.523 2.485 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.022 6.701 5.398 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.663 4.911 5.009 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.680 4.233 3.726 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.946 4.720 7.362 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.205 2.822 4.217 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.174 3.274 9.004 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.330 1.378 5.850 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.842 1.597 8.229 1.00 0.48 H new ATOM 1013 N THR A 62 2.271 5.518 5.200 1.00 0.25 N ATOM 1014 CA THR A 62 3.694 5.272 5.057 1.00 0.27 C ATOM 1015 C THR A 62 4.079 3.939 5.682 1.00 0.29 C ATOM 1016 O THR A 62 3.945 3.746 6.890 1.00 0.35 O ATOM 1017 CB THR A 62 4.505 6.399 5.695 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.251 7.631 5.044 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.000 6.158 5.657 1.00 0.37 C ATOM 0 H THR A 62 1.913 5.374 6.144 1.00 0.25 H new ATOM 0 HA THR A 62 3.920 5.236 3.991 1.00 0.27 H new ATOM 0 HB THR A 62 4.185 6.430 6.737 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.100 8.039 4.773 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.516 6.996 6.126 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.234 5.240 6.196 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.327 6.064 4.622 1.00 0.37 H new ATOM 1027 N VAL A 63 4.557 3.022 4.851 1.00 0.31 N ATOM 1028 CA VAL A 63 4.962 1.708 5.322 1.00 0.36 C ATOM 1029 C VAL A 63 6.323 1.767 6.005 1.00 0.38 C ATOM 1030 O VAL A 63 7.349 1.977 5.361 1.00 0.50 O ATOM 1031 CB VAL A 63 5.007 0.686 4.170 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.594 0.307 3.750 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.791 1.235 2.989 1.00 1.08 C ATOM 0 H VAL A 63 4.673 3.166 3.848 1.00 0.31 H new ATOM 0 HA VAL A 63 4.215 1.384 6.046 1.00 0.36 H new ATOM 0 HB VAL A 63 5.518 -0.210 4.523 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.638 -0.416 2.935 1.00 0.58 H new ATOM 0 HG12 VAL A 63 3.068 -0.133 4.597 1.00 0.58 H new ATOM 0 HG13 VAL A 63 3.062 1.198 3.416 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.809 0.495 2.189 1.00 1.08 H new ATOM 0 HG22 VAL A 63 5.316 2.148 2.629 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.812 1.456 3.301 1.00 1.08 H new ATOM 1043 N SER A 64 6.324 1.585 7.318 1.00 0.49 N ATOM 1044 CA SER A 64 7.560 1.624 8.082 1.00 0.55 C ATOM 1045 C SER A 64 8.005 0.224 8.475 1.00 0.63 C ATOM 1046 O SER A 64 7.248 -0.539 9.075 1.00 0.99 O ATOM 1047 CB SER A 64 7.386 2.482 9.331 1.00 0.63 C ATOM 1048 OG SER A 64 6.029 2.529 9.736 1.00 1.33 O ATOM 0 H SER A 64 5.486 1.410 7.873 1.00 0.49 H new ATOM 0 HA SER A 64 8.330 2.065 7.449 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.996 2.079 10.140 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.745 3.492 9.134 1.00 0.63 H new ATOM 0 HG SER A 64 5.946 3.084 10.539 1.00 1.33 H new ATOM 1054 N GLY A 65 9.242 -0.103 8.134 1.00 0.71 N ATOM 1055 CA GLY A 65 9.777 -1.413 8.464 1.00 0.78 C ATOM 1056 C GLY A 65 10.587 -2.042 7.341 1.00 0.72 C ATOM 1057 O GLY A 65 11.113 -3.143 7.502 1.00 0.90 O ATOM 0 H GLY A 65 9.886 0.512 7.636 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.406 -1.326 9.350 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.953 -2.078 8.722 1.00 0.78 H new ATOM 1061 N LEU A 66 10.689 -1.355 6.206 1.00 0.64 N ATOM 1062 CA LEU A 66 11.439 -1.870 5.072 1.00 0.65 C ATOM 1063 C LEU A 66 12.844 -2.291 5.483 1.00 0.59 C ATOM 1064 O LEU A 66 13.201 -2.256 6.660 1.00 0.65 O ATOM 1065 CB LEU A 66 11.514 -0.816 3.963 1.00 0.74 C ATOM 1066 CG LEU A 66 10.173 -0.386 3.351 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.153 -1.512 3.386 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.630 0.841 4.055 1.00 0.89 C ATOM 0 H LEU A 66 10.261 -0.442 6.051 1.00 0.64 H new ATOM 0 HA LEU A 66 10.916 -2.750 4.698 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.009 0.069 4.363 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.148 -1.202 3.165 1.00 0.74 H new ATOM 0 HG LEU A 66 10.357 -0.137 2.306 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.217 -1.169 2.944 1.00 1.47 H new ATOM 0 HD12 LEU A 66 9.531 -2.363 2.820 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.978 -1.812 4.419 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.680 1.128 3.605 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.479 0.617 5.111 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.341 1.662 3.956 1.00 0.89 H new ATOM 1080 N THR A 67 13.635 -2.687 4.497 1.00 0.65 N ATOM 1081 CA THR A 67 15.006 -3.118 4.739 1.00 0.69 C ATOM 1082 C THR A 67 15.952 -2.508 3.711 1.00 0.72 C ATOM 1083 O THR A 67 15.838 -2.773 2.514 1.00 1.06 O ATOM 1084 CB THR A 67 15.097 -4.643 4.700 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.271 -5.221 5.697 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.502 -5.163 4.910 1.00 0.99 C ATOM 0 H THR A 67 13.351 -2.719 3.518 1.00 0.65 H new ATOM 0 HA THR A 67 15.304 -2.773 5.729 1.00 0.69 H new ATOM 0 HB THR A 67 14.767 -4.927 3.701 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.480 -5.618 5.277 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.496 -6.252 4.871 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.154 -4.775 4.128 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.869 -4.837 5.883 1.00 0.99 H new ATOM 1094 N GLU A 68 16.883 -1.690 4.188 1.00 0.66 N ATOM 1095 CA GLU A 68 17.850 -1.035 3.314 1.00 0.67 C ATOM 1096 C GLU A 68 18.470 -2.025 2.332 1.00 0.60 C ATOM 1097 O GLU A 68 18.899 -3.112 2.717 1.00 0.69 O ATOM 1098 CB GLU A 68 18.947 -0.371 4.150 1.00 0.76 C ATOM 1099 CG GLU A 68 19.075 1.123 3.909 1.00 0.96 C ATOM 1100 CD GLU A 68 20.089 1.777 4.826 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.908 1.047 5.422 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.064 3.020 4.947 1.00 1.91 O ATOM 0 H GLU A 68 16.989 -1.464 5.177 1.00 0.66 H new ATOM 0 HA GLU A 68 17.323 -0.274 2.739 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.742 -0.544 5.206 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.901 -0.849 3.928 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.363 1.297 2.872 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.103 1.595 4.053 1.00 0.96 H new ATOM 1109 N ASP A 69 18.514 -1.638 1.060 1.00 0.52 N ATOM 1110 CA ASP A 69 19.082 -2.484 0.015 1.00 0.49 C ATOM 1111 C ASP A 69 18.152 -3.644 -0.323 1.00 0.44 C ATOM 1112 O ASP A 69 18.468 -4.804 -0.060 1.00 0.54 O ATOM 1113 CB ASP A 69 20.448 -3.024 0.444 1.00 0.59 C ATOM 1114 CG ASP A 69 21.365 -3.279 -0.737 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.377 -2.446 -1.668 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.068 -4.310 -0.732 1.00 1.66 O ATOM 0 H ASP A 69 18.162 -0.740 0.727 1.00 0.52 H new ATOM 0 HA ASP A 69 19.205 -1.869 -0.877 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.921 -2.312 1.121 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.311 -3.951 1.001 1.00 0.59 H new ATOM 1121 N ALA A 70 17.005 -3.323 -0.911 1.00 0.40 N ATOM 1122 CA ALA A 70 16.031 -4.337 -1.288 1.00 0.40 C ATOM 1123 C ALA A 70 14.782 -3.702 -1.880 1.00 0.35 C ATOM 1124 O ALA A 70 14.146 -2.858 -1.250 1.00 0.36 O ATOM 1125 CB ALA A 70 15.663 -5.193 -0.089 1.00 0.49 C ATOM 0 H ALA A 70 16.728 -2.368 -1.136 1.00 0.40 H new ATOM 0 HA ALA A 70 16.486 -4.972 -2.049 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.934 -5.946 -0.389 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.557 -5.686 0.294 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.234 -4.563 0.690 1.00 0.49 H new ATOM 1131 N ALA A 71 14.431 -4.113 -3.091 1.00 0.33 N ATOM 1132 CA ALA A 71 13.252 -3.583 -3.758 1.00 0.30 C ATOM 1133 C ALA A 71 11.985 -4.063 -3.061 1.00 0.27 C ATOM 1134 O ALA A 71 11.833 -5.252 -2.780 1.00 0.36 O ATOM 1135 CB ALA A 71 13.251 -3.978 -5.227 1.00 0.34 C ATOM 0 H ALA A 71 14.945 -4.810 -3.630 1.00 0.33 H new ATOM 0 HA ALA A 71 13.277 -2.495 -3.700 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.362 -3.574 -5.712 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.142 -3.579 -5.712 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.248 -5.065 -5.312 1.00 0.34 H new ATOM 1141 N TYR A 72 11.086 -3.130 -2.769 1.00 0.24 N ATOM 1142 CA TYR A 72 9.842 -3.460 -2.088 1.00 0.24 C ATOM 1143 C TYR A 72 8.621 -2.961 -2.854 1.00 0.21 C ATOM 1144 O TYR A 72 8.489 -1.766 -3.122 1.00 0.23 O ATOM 1145 CB TYR A 72 9.837 -2.846 -0.688 1.00 0.30 C ATOM 1146 CG TYR A 72 10.598 -3.644 0.343 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.972 -4.661 1.053 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.937 -3.381 0.613 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.654 -5.392 2.001 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.627 -4.111 1.563 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.982 -5.115 2.254 1.00 0.46 C ATOM 1152 OH TYR A 72 12.666 -5.845 3.199 1.00 0.56 O ATOM 0 H TYR A 72 11.196 -2.141 -2.993 1.00 0.24 H new ATOM 0 HA TYR A 72 9.784 -4.547 -2.026 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.263 -1.844 -0.742 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.805 -2.736 -0.356 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.933 -4.882 0.858 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.445 -2.596 0.073 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.151 -6.179 2.544 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.666 -3.896 1.763 1.00 0.42 H new ATOM 0 HH TYR A 72 13.324 -6.420 2.755 1.00 0.56 H new ATOM 1162 N GLU A 73 7.724 -3.882 -3.186 1.00 0.21 N ATOM 1163 CA GLU A 73 6.498 -3.541 -3.902 1.00 0.21 C ATOM 1164 C GLU A 73 5.313 -3.637 -2.946 1.00 0.23 C ATOM 1165 O GLU A 73 5.272 -4.533 -2.104 1.00 0.32 O ATOM 1166 CB GLU A 73 6.300 -4.483 -5.091 1.00 0.25 C ATOM 1167 CG GLU A 73 6.039 -3.768 -6.406 1.00 0.65 C ATOM 1168 CD GLU A 73 6.175 -4.685 -7.606 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.180 -5.352 -7.958 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.277 -4.737 -8.191 1.00 1.32 O ATOM 0 H GLU A 73 7.822 -4.874 -2.971 1.00 0.21 H new ATOM 0 HA GLU A 73 6.572 -2.522 -4.282 1.00 0.21 H new ATOM 0 HB2 GLU A 73 7.186 -5.108 -5.198 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.464 -5.149 -4.879 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.036 -3.342 -6.391 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.737 -2.937 -6.508 1.00 0.65 H new ATOM 1177 N PHE A 74 4.351 -2.720 -3.053 1.00 0.22 N ATOM 1178 CA PHE A 74 3.195 -2.769 -2.134 1.00 0.28 C ATOM 1179 C PHE A 74 1.860 -2.416 -2.789 1.00 0.25 C ATOM 1180 O PHE A 74 1.703 -1.343 -3.364 1.00 0.30 O ATOM 1181 CB PHE A 74 3.395 -1.848 -0.921 1.00 0.39 C ATOM 1182 CG PHE A 74 4.764 -1.253 -0.787 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.112 -0.111 -1.493 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.704 -1.846 0.039 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.382 0.427 -1.371 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.970 -1.314 0.164 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.288 -0.125 -0.537 1.00 0.53 C ATOM 0 H PHE A 74 4.338 -1.961 -3.734 1.00 0.22 H new ATOM 0 HA PHE A 74 3.148 -3.811 -1.819 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.669 -1.037 -0.977 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.172 -2.413 -0.016 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.389 0.361 -2.141 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.442 -2.736 0.592 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.651 1.298 -1.950 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.708 -1.797 0.787 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.254 0.339 -0.404 1.00 0.53 H new ATOM 1197 N ARG A 75 0.889 -3.320 -2.662 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.451 -3.099 -3.214 1.00 0.34 C ATOM 1199 C ARG A 75 -1.399 -2.651 -2.105 1.00 0.31 C ATOM 1200 O ARG A 75 -1.072 -2.771 -0.925 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.988 -4.371 -3.884 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.419 -5.663 -3.315 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.196 -6.877 -3.796 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.542 -7.531 -4.933 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.056 -7.635 -6.165 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.250 -7.132 -6.466 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.362 -8.255 -7.109 1.00 1.87 N ATOM 0 H ARG A 75 1.003 -4.213 -2.182 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.386 -2.319 -3.972 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.073 -4.390 -3.785 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.766 -4.328 -4.950 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.627 -5.760 -3.607 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.443 -5.623 -2.226 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.299 -7.590 -2.978 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.203 -6.573 -4.082 1.00 1.08 H new ATOM 0 HE ARG A 75 0.379 -7.940 -4.773 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.797 -6.653 -5.750 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.619 -7.225 -7.413 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.555 -8.647 -6.894 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.745 -8.340 -8.051 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.572 -2.131 -2.470 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.519 -1.677 -1.448 1.00 0.39 C ATOM 1223 C VAL A 76 -4.887 -2.352 -1.540 1.00 0.31 C ATOM 1224 O VAL A 76 -5.649 -2.131 -2.480 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.748 -0.143 -1.476 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.677 0.270 -0.342 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.443 0.625 -1.375 1.00 0.54 C ATOM 0 H VAL A 76 -2.884 -2.015 -3.434 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.040 -1.964 -0.512 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.207 0.101 -2.434 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -4.830 1.349 -0.372 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.636 -0.236 -0.455 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.231 -0.007 0.613 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.648 1.695 -1.398 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -1.943 0.371 -0.440 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.799 0.361 -2.214 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.200 -3.134 -0.516 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.474 -3.805 -0.399 1.00 0.31 C ATOM 1239 C ILE A 77 -7.241 -3.092 0.712 1.00 0.30 C ATOM 1240 O ILE A 77 -6.619 -2.478 1.581 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.288 -5.294 -0.038 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.650 -6.056 -1.200 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.613 -5.919 0.343 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.975 -7.343 -0.782 1.00 0.42 C ATOM 0 H ILE A 77 -4.566 -3.318 0.261 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.012 -3.769 -1.346 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.619 -5.356 0.820 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.417 -6.282 -1.940 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.917 -5.413 -1.687 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.461 -6.969 0.594 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.028 -5.396 1.205 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.306 -5.843 -0.495 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.545 -7.829 -1.658 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.185 -7.123 -0.064 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.708 -8.006 -0.322 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.566 -3.137 0.710 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.300 -2.442 1.768 1.00 0.30 C ATOM 1258 C ALA A 78 -10.766 -2.815 1.830 1.00 0.34 C ATOM 1259 O ALA A 78 -11.468 -2.795 0.823 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.160 -0.938 1.596 1.00 0.39 C ATOM 0 H ALA A 78 -9.139 -3.624 0.021 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.856 -2.760 2.711 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.709 -0.429 2.388 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.107 -0.662 1.650 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.563 -0.643 0.627 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.229 -3.130 3.035 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.626 -3.476 3.236 1.00 0.43 C ATOM 1268 C LYS A 79 -13.439 -2.206 3.392 1.00 0.59 C ATOM 1269 O LYS A 79 -12.973 -1.226 3.973 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.814 -4.370 4.461 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.136 -5.721 4.346 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.124 -6.851 4.591 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.462 -8.023 5.293 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.055 -8.277 6.635 1.00 1.98 N ATOM 0 H LYS A 79 -10.659 -3.152 3.881 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.969 -4.034 2.365 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.426 -3.853 5.339 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.880 -4.523 4.627 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.695 -5.827 3.355 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.320 -5.785 5.066 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.955 -6.485 5.195 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.542 -7.183 3.641 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.561 -8.917 4.678 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.395 -7.826 5.399 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.574 -9.085 7.080 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.938 -7.433 7.232 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.068 -8.490 6.532 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.645 -2.220 2.857 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.509 -1.057 2.921 1.00 0.70 C ATOM 1290 C ASN A 80 -16.190 -0.921 4.299 1.00 0.87 C ATOM 1291 O ASN A 80 -15.528 -0.548 5.269 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.495 -1.090 1.744 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.205 -2.427 1.539 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.760 -2.676 0.469 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.196 -3.304 2.539 1.00 2.05 N ATOM 0 H ASN A 80 -15.048 -3.023 2.374 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.909 -0.153 2.820 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.247 -0.315 1.896 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.957 -0.837 0.831 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.656 -4.208 2.429 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.729 -3.073 3.416 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.488 -1.204 4.404 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.184 -1.083 5.684 1.00 0.82 C ATOM 1304 C ALA A 81 -18.974 -2.343 6.046 1.00 0.88 C ATOM 1305 O ALA A 81 -19.186 -2.627 7.225 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.118 0.119 5.659 1.00 0.83 C ATOM 0 H ALA A 81 -18.073 -1.515 3.628 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.420 -0.947 6.450 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.632 0.201 6.617 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.540 1.025 5.479 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.852 -0.007 4.863 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.424 -3.085 5.041 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.203 -4.291 5.280 1.00 0.90 C ATOM 1314 C ALA A 82 -19.339 -5.551 5.288 1.00 0.88 C ATOM 1315 O ALA A 82 -19.847 -6.656 5.097 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.297 -4.405 4.231 1.00 0.94 C ATOM 0 H ALA A 82 -19.263 -2.873 4.056 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.648 -4.208 6.272 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.880 -5.308 4.410 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.950 -3.534 4.290 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.847 -4.455 3.240 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.037 -5.388 5.511 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.147 -6.536 5.539 1.00 0.86 C ATOM 1324 C GLY A 83 -16.612 -6.898 4.166 1.00 0.78 C ATOM 1325 O GLY A 83 -15.625 -7.625 4.051 1.00 0.93 O ATOM 0 H GLY A 83 -17.585 -4.488 5.672 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.311 -6.326 6.206 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.679 -7.392 5.954 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.262 -6.391 3.122 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.842 -6.663 1.755 1.00 0.78 C ATOM 1331 C ALA A 84 -15.450 -6.102 1.506 1.00 0.76 C ATOM 1332 O ALA A 84 -15.250 -4.887 1.508 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.839 -6.078 0.768 1.00 0.92 C ATOM 0 H ALA A 84 -18.082 -5.789 3.199 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.808 -7.743 1.610 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.511 -6.290 -0.250 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.819 -6.525 0.933 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.903 -4.999 0.911 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.490 -6.993 1.300 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.115 -6.585 1.063 1.00 0.40 C ATOM 1341 C ILE A 85 -12.904 -6.093 -0.360 1.00 0.38 C ATOM 1342 O ILE A 85 -12.969 -6.867 -1.315 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.130 -7.733 1.348 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.689 -7.227 1.279 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.347 -8.873 0.366 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.798 -7.804 2.355 1.00 0.79 C ATOM 0 H ILE A 85 -14.639 -8.002 1.292 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.919 -5.762 1.751 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.314 -8.109 2.355 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.272 -7.472 0.302 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.689 -6.140 1.362 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.643 -9.677 0.581 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.366 -9.248 0.463 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.188 -8.513 -0.650 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.790 -7.403 2.247 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.192 -7.537 3.336 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -9.768 -8.889 2.260 1.00 0.79 H new ATOM 1358 N SER A 86 -12.639 -4.797 -0.492 1.00 0.39 N ATOM 1359 CA SER A 86 -12.403 -4.202 -1.800 1.00 0.45 C ATOM 1360 C SER A 86 -11.110 -4.762 -2.402 1.00 0.44 C ATOM 1361 O SER A 86 -10.038 -4.652 -1.793 1.00 0.43 O ATOM 1362 CB SER A 86 -12.323 -2.676 -1.691 1.00 0.54 C ATOM 1363 OG SER A 86 -10.985 -2.239 -1.541 1.00 0.59 O ATOM 0 H SER A 86 -12.583 -4.142 0.288 1.00 0.39 H new ATOM 0 HA SER A 86 -13.237 -4.454 -2.455 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.758 -2.223 -2.582 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.915 -2.339 -0.840 1.00 0.54 H new ATOM 0 HG SER A 86 -10.650 -2.507 -0.660 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.198 -5.378 -3.601 1.00 0.52 N ATOM 1370 CA PRO A 87 -10.054 -5.970 -4.286 1.00 0.61 C ATOM 1371 C PRO A 87 -8.754 -5.197 -4.077 1.00 0.54 C ATOM 1372 O PRO A 87 -8.769 -4.011 -3.750 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.459 -5.921 -5.758 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.955 -5.868 -5.778 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.432 -5.556 -4.379 1.00 0.59 C ATOM 0 HA PRO A 87 -9.844 -6.970 -3.907 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.032 -5.047 -6.250 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.093 -6.798 -6.292 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.300 -5.106 -6.477 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.365 -6.819 -6.117 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -13.046 -4.656 -4.361 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -13.041 -6.366 -3.977 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.602 -5.868 -4.275 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.284 -5.249 -4.116 1.00 0.56 C ATOM 1385 C PRO A 88 -5.972 -4.255 -5.225 1.00 0.48 C ATOM 1386 O PRO A 88 -6.402 -4.423 -6.366 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.305 -6.433 -4.188 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.149 -7.661 -4.108 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.485 -7.279 -4.669 1.00 0.72 C ATOM 0 HA PRO A 88 -6.223 -4.682 -3.187 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.732 -6.411 -5.115 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.587 -6.398 -3.369 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.705 -8.478 -4.678 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -6.242 -8.005 -3.078 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.521 -7.403 -5.751 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -8.289 -7.885 -4.252 1.00 0.72 H new ATOM 1397 N SER A 89 -5.209 -3.224 -4.883 1.00 0.43 N ATOM 1398 CA SER A 89 -4.821 -2.207 -5.848 1.00 0.42 C ATOM 1399 C SER A 89 -3.430 -2.511 -6.384 1.00 0.35 C ATOM 1400 O SER A 89 -2.504 -2.749 -5.604 1.00 0.51 O ATOM 1401 CB SER A 89 -4.848 -0.820 -5.203 1.00 0.56 C ATOM 1402 OG SER A 89 -5.991 -0.661 -4.380 1.00 1.28 O ATOM 0 H SER A 89 -4.847 -3.071 -3.942 1.00 0.43 H new ATOM 0 HA SER A 89 -5.532 -2.216 -6.674 1.00 0.42 H new ATOM 0 HB2 SER A 89 -3.946 -0.674 -4.609 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.846 -0.055 -5.979 1.00 0.56 H new ATOM 0 HG SER A 89 -5.785 -0.966 -3.472 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.300 -2.511 -7.718 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.029 -2.796 -8.403 1.00 0.37 C ATOM 1410 C GLU A 90 -0.812 -2.357 -7.581 1.00 0.34 C ATOM 1411 O GLU A 90 -0.587 -1.165 -7.385 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.004 -2.100 -9.764 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.411 -2.956 -10.871 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.286 -2.256 -11.611 1.00 1.10 C ATOM 1415 OE1 GLU A 90 0.843 -2.218 -11.076 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -0.535 -1.747 -12.724 1.00 1.76 O ATOM 0 H GLU A 90 -4.073 -2.313 -8.354 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.967 -3.877 -8.532 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.021 -1.819 -10.038 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.429 -1.178 -9.681 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.037 -3.887 -10.445 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.196 -3.223 -11.579 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.016 -3.320 -7.086 1.00 0.30 N ATOM 1424 CA PRO A 91 1.166 -3.031 -6.281 1.00 0.29 C ATOM 1425 C PRO A 91 1.938 -1.801 -6.748 1.00 0.31 C ATOM 1426 O PRO A 91 1.980 -1.485 -7.937 1.00 0.55 O ATOM 1427 CB PRO A 91 2.005 -4.288 -6.458 1.00 0.36 C ATOM 1428 CG PRO A 91 1.001 -5.383 -6.585 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.205 -4.775 -7.265 1.00 0.39 C ATOM 0 HA PRO A 91 0.904 -2.800 -5.248 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.638 -4.223 -7.343 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.665 -4.450 -5.606 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.401 -6.211 -7.170 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.735 -5.783 -5.606 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.248 -5.046 -8.320 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.135 -5.116 -6.810 1.00 0.39 H new ATOM 1437 N SER A 92 2.552 -1.123 -5.785 1.00 0.27 N ATOM 1438 CA SER A 92 3.342 0.066 -6.043 1.00 0.31 C ATOM 1439 C SER A 92 4.759 -0.338 -6.410 1.00 0.27 C ATOM 1440 O SER A 92 5.316 -1.264 -5.809 1.00 0.24 O ATOM 1441 CB SER A 92 3.348 0.979 -4.803 1.00 0.39 C ATOM 1442 OG SER A 92 4.660 1.403 -4.461 1.00 1.23 O ATOM 0 H SER A 92 2.513 -1.387 -4.801 1.00 0.27 H new ATOM 0 HA SER A 92 2.902 0.618 -6.874 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.723 1.852 -4.992 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.907 0.448 -3.959 1.00 0.39 H new ATOM 0 HG SER A 92 4.974 0.899 -3.681 1.00 1.23 H new ATOM 1448 N ASP A 93 5.322 0.365 -7.397 1.00 0.33 N ATOM 1449 CA ASP A 93 6.681 0.111 -7.887 1.00 0.36 C ATOM 1450 C ASP A 93 7.613 -0.373 -6.785 1.00 0.32 C ATOM 1451 O ASP A 93 7.573 0.117 -5.658 1.00 0.56 O ATOM 1452 CB ASP A 93 7.257 1.378 -8.518 1.00 0.45 C ATOM 1453 CG ASP A 93 7.593 1.193 -9.984 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.686 0.668 -10.281 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.760 1.572 -10.835 1.00 1.55 O ATOM 0 H ASP A 93 4.848 1.128 -7.880 1.00 0.33 H new ATOM 0 HA ASP A 93 6.609 -0.680 -8.633 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.539 2.192 -8.413 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.156 1.674 -7.977 1.00 0.45 H new ATOM 1460 N ALA A 94 8.449 -1.339 -7.128 1.00 0.33 N ATOM 1461 CA ALA A 94 9.394 -1.894 -6.177 1.00 0.28 C ATOM 1462 C ALA A 94 10.556 -0.936 -5.950 1.00 0.29 C ATOM 1463 O ALA A 94 11.385 -0.732 -6.837 1.00 0.41 O ATOM 1464 CB ALA A 94 9.907 -3.234 -6.672 1.00 0.34 C ATOM 0 H ALA A 94 8.491 -1.754 -8.059 1.00 0.33 H new ATOM 0 HA ALA A 94 8.881 -2.041 -5.227 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.615 -3.641 -5.951 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.071 -3.923 -6.788 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.404 -3.101 -7.633 1.00 0.34 H new ATOM 1470 N ILE A 95 10.608 -0.348 -4.764 1.00 0.25 N ATOM 1471 CA ILE A 95 11.666 0.592 -4.426 1.00 0.28 C ATOM 1472 C ILE A 95 12.834 -0.113 -3.745 1.00 0.26 C ATOM 1473 O ILE A 95 12.695 -0.658 -2.650 1.00 0.25 O ATOM 1474 CB ILE A 95 11.135 1.717 -3.518 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.016 2.476 -4.233 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.258 2.667 -3.125 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.632 1.955 -3.920 1.00 0.44 C ATOM 0 H ILE A 95 9.929 -0.505 -4.019 1.00 0.25 H new ATOM 0 HA ILE A 95 12.021 1.030 -5.359 1.00 0.28 H new ATOM 0 HB ILE A 95 10.735 1.272 -2.607 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.069 3.529 -3.957 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.181 2.420 -5.309 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.861 3.454 -2.484 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.030 2.116 -2.588 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.688 3.112 -4.022 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.891 2.542 -4.463 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.560 0.910 -4.222 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.446 2.037 -2.849 1.00 0.44 H new ATOM 1489 N THR A 96 13.987 -0.097 -4.407 1.00 0.29 N ATOM 1490 CA THR A 96 15.191 -0.734 -3.882 1.00 0.32 C ATOM 1491 C THR A 96 15.426 -0.368 -2.422 1.00 0.32 C ATOM 1492 O THR A 96 15.980 -1.157 -1.661 1.00 0.38 O ATOM 1493 CB THR A 96 16.407 -0.329 -4.715 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.268 -0.772 -6.053 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.709 -0.884 -4.179 1.00 0.43 C ATOM 0 H THR A 96 14.113 0.353 -5.314 1.00 0.29 H new ATOM 0 HA THR A 96 15.048 -1.813 -3.944 1.00 0.32 H new ATOM 0 HB THR A 96 16.445 0.759 -4.662 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.055 -0.502 -6.570 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.532 -0.560 -4.816 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.870 -0.520 -3.164 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.664 -1.973 -4.171 1.00 0.43 H new ATOM 1503 N CYS A 97 15.007 0.829 -2.031 1.00 0.32 N ATOM 1504 CA CYS A 97 15.190 1.273 -0.655 1.00 0.36 C ATOM 1505 C CYS A 97 16.658 1.159 -0.256 1.00 0.43 C ATOM 1506 O CYS A 97 17.010 0.405 0.651 1.00 0.64 O ATOM 1507 CB CYS A 97 14.323 0.436 0.287 1.00 0.38 C ATOM 1508 SG CYS A 97 12.544 0.639 0.031 1.00 1.10 S ATOM 0 H CYS A 97 14.543 1.503 -2.640 1.00 0.32 H new ATOM 0 HA CYS A 97 14.886 2.317 -0.580 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.579 -0.616 0.161 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.564 0.701 1.316 1.00 0.38 H new ATOM 0 HG CYS A 97 12.221 0.191 -1.146 1.00 1.10 H new ATOM 1514 N ARG A 98 17.512 1.908 -0.948 1.00 0.53 N ATOM 1515 CA ARG A 98 18.950 1.888 -0.676 1.00 0.63 C ATOM 1516 C ARG A 98 19.369 3.050 0.219 1.00 0.80 C ATOM 1517 O ARG A 98 19.429 2.915 1.441 1.00 1.04 O ATOM 1518 CB ARG A 98 19.755 1.909 -1.985 1.00 0.68 C ATOM 1519 CG ARG A 98 19.055 2.617 -3.136 1.00 0.74 C ATOM 1520 CD ARG A 98 20.048 3.156 -4.152 1.00 0.92 C ATOM 1521 NE ARG A 98 19.770 2.668 -5.501 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.640 2.731 -6.504 1.00 2.31 C ATOM 1523 NH1 ARG A 98 21.840 3.260 -6.309 1.00 2.68 N ATOM 1524 NH2 ARG A 98 20.313 2.265 -7.701 1.00 3.00 N ATOM 0 H ARG A 98 17.235 2.537 -1.702 1.00 0.53 H new ATOM 0 HA ARG A 98 19.166 0.960 -0.146 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.713 2.396 -1.802 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.971 0.883 -2.282 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.371 1.925 -3.627 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.452 3.437 -2.746 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.017 4.246 -4.147 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.058 2.865 -3.862 1.00 0.92 H new ATOM 0 HE ARG A 98 18.855 2.255 -5.684 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.096 3.619 -5.389 1.00 2.68 H new ATOM 0 HH12 ARG A 98 22.507 3.308 -7.079 1.00 2.68 H new ATOM 0 HH21 ARG A 98 19.391 1.856 -7.855 1.00 3.00 H new ATOM 0 HH22 ARG A 98 20.983 2.315 -8.468 1.00 3.00 H new ATOM 1538 N ASP A 99 19.659 4.188 -0.394 1.00 0.92 N ATOM 1539 CA ASP A 99 20.073 5.376 0.343 1.00 1.20 C ATOM 1540 C ASP A 99 19.063 6.501 0.160 1.00 1.03 C ATOM 1541 O ASP A 99 19.409 7.681 0.219 1.00 1.20 O ATOM 1542 CB ASP A 99 21.451 5.837 -0.134 1.00 1.61 C ATOM 1543 CG ASP A 99 21.419 6.422 -1.533 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.388 6.265 -2.220 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.427 7.034 -1.944 1.00 2.08 O ATOM 0 H ASP A 99 19.615 4.315 -1.405 1.00 0.92 H new ATOM 0 HA ASP A 99 20.125 5.122 1.402 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.840 6.583 0.559 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.140 4.992 -0.113 1.00 1.61 H new ATOM 1550 N ASP A 100 17.810 6.122 -0.071 1.00 0.85 N ATOM 1551 CA ASP A 100 16.730 7.084 -0.273 1.00 0.92 C ATOM 1552 C ASP A 100 17.114 8.152 -1.296 1.00 1.22 C ATOM 1553 O ASP A 100 16.551 9.247 -1.305 1.00 1.38 O ATOM 1554 CB ASP A 100 16.333 7.741 1.054 1.00 0.87 C ATOM 1555 CG ASP A 100 15.028 7.204 1.613 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.047 6.109 2.214 1.00 2.06 O ATOM 1557 OD2 ASP A 100 13.989 7.875 1.451 1.00 2.03 O ATOM 0 H ASP A 100 17.515 5.147 -0.123 1.00 0.85 H new ATOM 0 HA ASP A 100 15.873 6.535 -0.664 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.127 7.583 1.784 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.244 8.818 0.908 1.00 0.87 H new