USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 789 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 71 ASN : amide:sc= -11.3! C(o=-13!,f=-18!) USER MOD Set 1.2: A 90 SER OG : rot 130:sc= -1.96 USER MOD Set 2.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.57 X(o=-2.6,f=-2.4!) USER MOD Single : A 21 SER OG : rot 9:sc= -1.94 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.18 K(o=-2.2,f=-5.2!) USER MOD Single : A 39 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-2.1) USER MOD Single : A 51 ASN : amide:sc= 0.664 K(o=0.66,f=-0.89) USER MOD Single : A 56 SER OG : rot -36:sc= 0.581 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.6) USER MOD Single : A 66 GLN : amide:sc= -3.72! K(o=-3.7!,f=-1.7) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -5.31! C(o=-5.3!,f=-12!) USER MOD Single : A 81 GLN : amide:sc= -4.13! K(o=-4.1!,f=-1.4) USER MOD Single : A 84 MET CE :methyl 176:sc= -2.54 (180deg=-2.75) USER MOD Single : A 86 THR OG1 : rot 79:sc= 0.183 USER MOD Single : A 91 MET CE :methyl -158:sc= -8.48! (180deg=-10.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.04! K(o=-2!,f=-0.82) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -169:sc= -1.63 (180deg=-2.12) USER MOD Single : A 102 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.056) USER MOD Single : B 11 THR OG1 : rot 117:sc= 1.32 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -4.052 -3.954 -8.454 1.00 0.00 N ATOM 47 CA GLU A 10 -3.690 -2.932 -9.430 1.00 0.00 C ATOM 48 C GLU A 10 -2.523 -2.083 -8.936 1.00 0.00 C ATOM 49 O GLU A 10 -2.223 -2.051 -7.744 1.00 0.00 O ATOM 50 CB GLU A 10 -4.893 -2.035 -9.721 1.00 0.00 C ATOM 51 CG GLU A 10 -5.396 -1.281 -8.499 1.00 0.00 C ATOM 52 CD GLU A 10 -5.601 0.200 -8.760 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.079 0.703 -9.776 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.281 0.857 -7.944 1.00 0.00 O ATOM 0 HA GLU A 10 -3.382 -3.437 -10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.622 -1.317 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.703 -2.645 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.338 -1.720 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.684 -1.406 -7.683 1.00 0.00 H new ATOM 61 N PHE A 11 -1.877 -1.386 -9.867 1.00 0.00 N ATOM 62 CA PHE A 11 -0.749 -0.523 -9.536 1.00 0.00 C ATOM 63 C PHE A 11 -1.175 0.941 -9.558 1.00 0.00 C ATOM 64 O PHE A 11 -2.019 1.338 -10.363 1.00 0.00 O ATOM 65 CB PHE A 11 0.401 -0.748 -10.521 1.00 0.00 C ATOM 66 CG PHE A 11 0.955 -2.142 -10.486 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.337 -3.166 -11.185 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.096 -2.430 -9.754 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.846 -4.450 -11.155 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.609 -3.712 -9.719 1.00 0.00 C ATOM 71 CZ PHE A 11 1.984 -4.724 -10.421 1.00 0.00 C ATOM 0 H PHE A 11 -2.117 -1.403 -10.858 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.407 -0.774 -8.532 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.052 -0.529 -11.530 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.201 -0.042 -10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.553 -2.958 -11.760 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.590 -1.643 -9.204 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.355 -5.239 -11.705 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.498 -3.923 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.384 -5.727 -10.396 1.00 0.00 H new ATOM 81 N LEU A 12 -0.597 1.743 -8.670 1.00 0.00 N ATOM 82 CA LEU A 12 -0.934 3.160 -8.597 1.00 0.00 C ATOM 83 C LEU A 12 0.318 4.022 -8.492 1.00 0.00 C ATOM 84 O LEU A 12 1.091 3.905 -7.541 1.00 0.00 O ATOM 85 CB LEU A 12 -1.857 3.444 -7.402 1.00 0.00 C ATOM 86 CG LEU A 12 -2.536 2.220 -6.781 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.920 1.896 -5.429 1.00 0.00 C ATOM 88 CD2 LEU A 12 -4.034 2.450 -6.643 1.00 0.00 C ATOM 0 H LEU A 12 0.103 1.438 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.457 3.416 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.275 3.945 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.630 4.142 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.379 1.369 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.415 1.023 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.858 1.685 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.045 2.747 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.498 1.569 -6.200 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.212 3.314 -6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.466 2.632 -7.627 1.00 0.00 H new ATOM 100 N THR A 13 0.502 4.898 -9.472 1.00 0.00 N ATOM 101 CA THR A 13 1.646 5.798 -9.492 1.00 0.00 C ATOM 102 C THR A 13 1.329 7.061 -8.699 1.00 0.00 C ATOM 103 O THR A 13 0.196 7.543 -8.720 1.00 0.00 O ATOM 104 CB THR A 13 2.014 6.155 -10.933 1.00 0.00 C ATOM 105 OG1 THR A 13 2.330 4.989 -11.673 1.00 0.00 O ATOM 106 CG2 THR A 13 3.194 7.096 -11.033 1.00 0.00 C ATOM 0 H THR A 13 -0.130 5.004 -10.266 1.00 0.00 H new ATOM 0 HA THR A 13 2.497 5.297 -9.031 1.00 0.00 H new ATOM 0 HB THR A 13 1.136 6.655 -11.340 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.561 5.238 -12.592 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.402 7.308 -12.082 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.963 8.026 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.069 6.633 -10.576 1.00 0.00 H new ATOM 114 N PHE A 14 2.320 7.587 -7.989 1.00 0.00 N ATOM 115 CA PHE A 14 2.114 8.782 -7.181 1.00 0.00 C ATOM 116 C PHE A 14 3.295 9.743 -7.264 1.00 0.00 C ATOM 117 O PHE A 14 4.360 9.404 -7.780 1.00 0.00 O ATOM 118 CB PHE A 14 1.870 8.393 -5.723 1.00 0.00 C ATOM 119 CG PHE A 14 0.616 7.593 -5.515 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.570 7.968 -6.125 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.625 6.465 -4.711 1.00 0.00 C ATOM 122 CE1 PHE A 14 -1.725 7.232 -5.935 1.00 0.00 C ATOM 123 CE2 PHE A 14 -0.528 5.726 -4.516 1.00 0.00 C ATOM 124 CZ PHE A 14 -1.703 6.111 -5.130 1.00 0.00 C ATOM 0 H PHE A 14 3.267 7.208 -7.956 1.00 0.00 H new ATOM 0 HA PHE A 14 1.239 9.296 -7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.722 7.817 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.818 9.298 -5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.593 8.844 -6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.543 6.159 -4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.644 7.534 -6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.509 4.850 -3.885 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.605 5.535 -4.981 1.00 0.00 H new ATOM 134 N GLU A 15 3.086 10.940 -6.735 1.00 0.00 N ATOM 135 CA GLU A 15 4.108 11.978 -6.711 1.00 0.00 C ATOM 136 C GLU A 15 4.056 12.692 -5.365 1.00 0.00 C ATOM 137 O GLU A 15 3.111 13.427 -5.081 1.00 0.00 O ATOM 138 CB GLU A 15 3.901 12.976 -7.854 1.00 0.00 C ATOM 139 CG GLU A 15 3.156 12.403 -9.049 1.00 0.00 C ATOM 140 CD GLU A 15 1.650 12.513 -8.906 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.062 11.690 -8.173 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.059 13.421 -9.528 1.00 0.00 O ATOM 0 H GLU A 15 2.202 11.220 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 15 5.088 11.520 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.351 13.837 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.874 13.340 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.470 12.925 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.430 11.355 -9.175 1.00 0.00 H new ATOM 149 N VAL A 16 5.051 12.437 -4.524 1.00 0.00 N ATOM 150 CA VAL A 16 5.082 13.021 -3.189 1.00 0.00 C ATOM 151 C VAL A 16 6.082 14.171 -3.070 1.00 0.00 C ATOM 152 O VAL A 16 7.293 13.955 -3.102 1.00 0.00 O ATOM 153 CB VAL A 16 5.434 11.952 -2.138 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.240 12.493 -0.732 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.601 10.697 -2.355 1.00 0.00 C ATOM 0 H VAL A 16 5.843 11.833 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 16 4.083 13.418 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 16 6.485 11.689 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.495 11.720 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.886 13.358 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.200 12.789 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.863 9.952 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.543 10.943 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.800 10.295 -3.349 1.00 0.00 H new ATOM 165 N PRO A 17 5.587 15.413 -2.899 1.00 0.00 N ATOM 166 CA PRO A 17 6.446 16.584 -2.740 1.00 0.00 C ATOM 167 C PRO A 17 6.933 16.707 -1.299 1.00 0.00 C ATOM 168 O PRO A 17 6.133 16.668 -0.366 1.00 0.00 O ATOM 169 CB PRO A 17 5.515 17.739 -3.096 1.00 0.00 C ATOM 170 CG PRO A 17 4.164 17.275 -2.665 1.00 0.00 C ATOM 171 CD PRO A 17 4.156 15.772 -2.817 1.00 0.00 C ATOM 0 HA PRO A 17 7.345 16.547 -3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.803 18.655 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.539 17.954 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.967 17.561 -1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.385 17.731 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.671 15.288 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.615 15.464 -3.712 1.00 0.00 H new ATOM 179 N LEU A 18 8.245 16.833 -1.115 1.00 0.00 N ATOM 180 CA LEU A 18 8.815 16.927 0.227 1.00 0.00 C ATOM 181 C LEU A 18 9.681 18.163 0.396 1.00 0.00 C ATOM 182 O LEU A 18 10.621 18.168 1.189 1.00 0.00 O ATOM 183 CB LEU A 18 9.647 15.687 0.514 1.00 0.00 C ATOM 184 CG LEU A 18 10.712 15.418 -0.539 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.034 15.048 0.111 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.253 14.329 -1.495 1.00 0.00 C ATOM 0 H LEU A 18 8.929 16.872 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 18 7.987 17.002 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.127 15.798 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.986 14.823 0.581 1.00 0.00 H new ATOM 0 HG LEU A 18 10.866 16.332 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.779 14.860 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.369 15.868 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.904 14.150 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.027 14.150 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.067 13.411 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.336 14.644 -1.992 1.00 0.00 H new ATOM 198 N ASN A 19 9.357 19.212 -0.345 1.00 0.00 N ATOM 199 CA ASN A 19 10.097 20.471 -0.273 1.00 0.00 C ATOM 200 C ASN A 19 10.485 20.804 1.168 1.00 0.00 C ATOM 201 O ASN A 19 11.535 21.393 1.424 1.00 0.00 O ATOM 202 CB ASN A 19 9.257 21.604 -0.862 1.00 0.00 C ATOM 203 CG ASN A 19 8.158 22.078 0.077 1.00 0.00 C ATOM 204 OD1 ASN A 19 8.080 23.261 0.409 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.301 21.157 0.512 1.00 0.00 N ATOM 0 H ASN A 19 8.582 19.219 -1.008 1.00 0.00 H new ATOM 0 HA ASN A 19 11.013 20.359 -0.853 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.908 22.444 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.809 21.269 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.545 21.422 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.400 20.187 0.213 1.00 0.00 H new ATOM 212 N ASP A 20 9.627 20.407 2.101 1.00 0.00 N ATOM 213 CA ASP A 20 9.863 20.641 3.519 1.00 0.00 C ATOM 214 C ASP A 20 10.185 19.331 4.218 1.00 0.00 C ATOM 215 O ASP A 20 10.994 19.285 5.146 1.00 0.00 O ATOM 216 CB ASP A 20 8.639 21.282 4.173 1.00 0.00 C ATOM 217 CG ASP A 20 8.364 22.681 3.654 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.048 23.106 2.699 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.464 23.351 4.203 1.00 0.00 O ATOM 0 H ASP A 20 8.755 19.918 1.897 1.00 0.00 H new ATOM 0 HA ASP A 20 10.709 21.321 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.766 20.654 3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.788 21.322 5.252 1.00 0.00 H new ATOM 224 N SER A 21 9.540 18.265 3.759 1.00 0.00 N ATOM 225 CA SER A 21 9.746 16.943 4.327 1.00 0.00 C ATOM 226 C SER A 21 11.154 16.429 4.028 1.00 0.00 C ATOM 227 O SER A 21 11.574 15.412 4.576 1.00 0.00 O ATOM 228 CB SER A 21 8.704 15.967 3.778 1.00 0.00 C ATOM 229 OG SER A 21 9.088 14.624 4.016 1.00 0.00 O ATOM 0 H SER A 21 8.868 18.293 2.992 1.00 0.00 H new ATOM 0 HA SER A 21 9.634 17.017 5.409 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.738 16.161 4.245 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.578 16.128 2.707 1.00 0.00 H new ATOM 0 HG SER A 21 9.869 14.607 4.608 1.00 0.00 H new ATOM 235 N GLY A 22 11.884 17.138 3.158 1.00 0.00 N ATOM 236 CA GLY A 22 13.237 16.730 2.813 1.00 0.00 C ATOM 237 C GLY A 22 14.046 16.290 4.022 1.00 0.00 C ATOM 238 O GLY A 22 14.931 15.442 3.910 1.00 0.00 O ATOM 0 H GLY A 22 11.560 17.984 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.193 15.912 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.747 17.559 2.322 1.00 0.00 H new ATOM 242 N SER A 23 13.735 16.864 5.181 1.00 0.00 N ATOM 243 CA SER A 23 14.432 16.523 6.415 1.00 0.00 C ATOM 244 C SER A 23 13.846 15.254 7.029 1.00 0.00 C ATOM 245 O SER A 23 14.574 14.411 7.552 1.00 0.00 O ATOM 246 CB SER A 23 14.343 17.678 7.412 1.00 0.00 C ATOM 247 OG SER A 23 15.369 18.629 7.188 1.00 0.00 O ATOM 0 H SER A 23 13.005 17.567 5.290 1.00 0.00 H new ATOM 0 HA SER A 23 15.481 16.342 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.370 18.162 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.418 17.291 8.428 1.00 0.00 H new ATOM 0 HG SER A 23 15.287 19.358 7.838 1.00 0.00 H new ATOM 253 N ALA A 24 12.524 15.126 6.958 1.00 0.00 N ATOM 254 CA ALA A 24 11.835 13.962 7.500 1.00 0.00 C ATOM 255 C ALA A 24 11.956 12.762 6.562 1.00 0.00 C ATOM 256 O ALA A 24 11.781 11.618 6.977 1.00 0.00 O ATOM 257 CB ALA A 24 10.365 14.287 7.746 1.00 0.00 C ATOM 0 H ALA A 24 11.908 15.817 6.529 1.00 0.00 H new ATOM 0 HA ALA A 24 12.308 13.702 8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.861 13.409 8.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.288 15.110 8.457 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.894 14.575 6.806 1.00 0.00 H new ATOM 263 N GLY A 25 12.246 13.037 5.293 1.00 0.00 N ATOM 264 CA GLY A 25 12.373 11.975 4.312 1.00 0.00 C ATOM 265 C GLY A 25 11.231 11.998 3.318 1.00 0.00 C ATOM 266 O GLY A 25 11.448 11.985 2.106 1.00 0.00 O ATOM 0 H GLY A 25 12.395 13.977 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.320 12.079 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.396 11.011 4.819 1.00 0.00 H new ATOM 270 N LEU A 26 10.010 12.051 3.841 1.00 0.00 N ATOM 271 CA LEU A 26 8.812 12.098 3.010 1.00 0.00 C ATOM 272 C LEU A 26 7.555 12.129 3.872 1.00 0.00 C ATOM 273 O LEU A 26 6.555 12.734 3.496 1.00 0.00 O ATOM 274 CB LEU A 26 8.753 10.911 2.051 1.00 0.00 C ATOM 275 CG LEU A 26 7.996 11.188 0.751 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.584 12.400 0.040 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.021 9.968 -0.158 1.00 0.00 C ATOM 0 H LEU A 26 9.824 12.063 4.844 1.00 0.00 H new ATOM 0 HA LEU A 26 8.861 13.014 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.770 10.605 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.281 10.071 2.560 1.00 0.00 H new ATOM 0 HG LEU A 26 6.957 11.405 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.034 12.583 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.508 13.274 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.632 12.212 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.477 10.187 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.053 9.715 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.551 9.126 0.350 1.00 0.00 H new ATOM 289 N GLY A 27 7.610 11.478 5.028 1.00 0.00 N ATOM 290 CA GLY A 27 6.464 11.463 5.915 1.00 0.00 C ATOM 291 C GLY A 27 5.805 10.100 6.016 1.00 0.00 C ATOM 292 O GLY A 27 4.580 10.011 6.101 1.00 0.00 O ATOM 0 H GLY A 27 8.423 10.963 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.778 11.782 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.731 12.189 5.563 1.00 0.00 H new ATOM 296 N VAL A 28 6.606 9.038 6.016 1.00 0.00 N ATOM 297 CA VAL A 28 6.063 7.686 6.116 1.00 0.00 C ATOM 298 C VAL A 28 7.087 6.700 6.663 1.00 0.00 C ATOM 299 O VAL A 28 8.287 6.969 6.677 1.00 0.00 O ATOM 300 CB VAL A 28 5.559 7.163 4.755 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.574 8.135 4.138 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.723 6.904 3.805 1.00 0.00 C ATOM 0 H VAL A 28 7.623 9.085 5.949 1.00 0.00 H new ATOM 0 HA VAL A 28 5.224 7.757 6.808 1.00 0.00 H new ATOM 0 HB VAL A 28 5.046 6.217 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.232 7.746 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.721 8.260 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.060 9.099 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.341 6.536 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.272 7.831 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.389 6.159 4.241 1.00 0.00 H new ATOM 312 N SER A 29 6.590 5.547 7.084 1.00 0.00 N ATOM 313 CA SER A 29 7.434 4.487 7.608 1.00 0.00 C ATOM 314 C SER A 29 7.195 3.215 6.806 1.00 0.00 C ATOM 315 O SER A 29 6.090 2.669 6.809 1.00 0.00 O ATOM 316 CB SER A 29 7.137 4.247 9.090 1.00 0.00 C ATOM 317 OG SER A 29 6.926 5.471 9.772 1.00 0.00 O ATOM 0 H SER A 29 5.595 5.321 7.072 1.00 0.00 H new ATOM 0 HA SER A 29 8.480 4.782 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.255 3.615 9.190 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.967 3.710 9.548 1.00 0.00 H new ATOM 0 HG SER A 29 6.736 5.291 10.716 1.00 0.00 H new ATOM 323 N VAL A 30 8.223 2.762 6.097 1.00 0.00 N ATOM 324 CA VAL A 30 8.103 1.570 5.266 1.00 0.00 C ATOM 325 C VAL A 30 8.829 0.376 5.875 1.00 0.00 C ATOM 326 O VAL A 30 9.918 0.511 6.432 1.00 0.00 O ATOM 327 CB VAL A 30 8.655 1.818 3.850 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.679 2.652 3.035 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.018 2.493 3.917 1.00 0.00 C ATOM 0 H VAL A 30 9.144 3.200 6.081 1.00 0.00 H new ATOM 0 HA VAL A 30 7.038 1.343 5.208 1.00 0.00 H new ATOM 0 HB VAL A 30 8.777 0.855 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.086 2.817 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.728 2.125 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.522 3.612 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.391 2.660 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.926 3.449 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.714 1.854 4.460 1.00 0.00 H new ATOM 339 N LYS A 31 8.214 -0.794 5.749 1.00 0.00 N ATOM 340 CA LYS A 31 8.787 -2.027 6.268 1.00 0.00 C ATOM 341 C LYS A 31 8.435 -3.194 5.353 1.00 0.00 C ATOM 342 O LYS A 31 7.277 -3.365 4.971 1.00 0.00 O ATOM 343 CB LYS A 31 8.284 -2.297 7.688 1.00 0.00 C ATOM 344 CG LYS A 31 6.812 -2.675 7.756 1.00 0.00 C ATOM 345 CD LYS A 31 6.629 -4.151 8.069 1.00 0.00 C ATOM 346 CE LYS A 31 5.168 -4.563 7.982 1.00 0.00 C ATOM 347 NZ LYS A 31 4.769 -5.437 9.119 1.00 0.00 N ATOM 0 H LYS A 31 7.312 -0.913 5.288 1.00 0.00 H new ATOM 0 HA LYS A 31 9.871 -1.919 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.876 -3.100 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.450 -1.409 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.317 -2.076 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.331 -2.441 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.218 -4.747 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.008 -4.362 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.540 -3.672 7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.994 -5.088 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.766 -5.696 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.351 -6.299 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.911 -4.928 10.015 1.00 0.00 H new ATOM 361 N GLY A 32 9.436 -3.988 4.995 1.00 0.00 N ATOM 362 CA GLY A 32 9.200 -5.117 4.117 1.00 0.00 C ATOM 363 C GLY A 32 9.150 -6.439 4.852 1.00 0.00 C ATOM 364 O GLY A 32 9.610 -6.545 5.990 1.00 0.00 O ATOM 0 H GLY A 32 10.404 -3.871 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.260 -4.967 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.988 -5.156 3.365 1.00 0.00 H new ATOM 368 N ASN A 33 8.589 -7.450 4.198 1.00 0.00 N ATOM 369 CA ASN A 33 8.478 -8.776 4.791 1.00 0.00 C ATOM 370 C ASN A 33 8.857 -9.855 3.789 1.00 0.00 C ATOM 371 O ASN A 33 8.785 -9.648 2.580 1.00 0.00 O ATOM 372 CB ASN A 33 7.054 -9.017 5.294 1.00 0.00 C ATOM 373 CG ASN A 33 6.531 -7.865 6.130 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.431 -7.364 5.899 1.00 0.00 O ATOM 375 ND2 ASN A 33 7.320 -7.438 7.109 1.00 0.00 N ATOM 0 H ASN A 33 8.204 -7.376 3.256 1.00 0.00 H new ATOM 0 HA ASN A 33 9.169 -8.825 5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.393 -9.173 4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.031 -9.932 5.887 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.021 -6.666 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.225 -7.882 7.266 1.00 0.00 H new ATOM 382 N ARG A 34 9.259 -11.010 4.305 1.00 0.00 N ATOM 383 CA ARG A 34 9.652 -12.132 3.463 1.00 0.00 C ATOM 384 C ARG A 34 8.611 -13.244 3.525 1.00 0.00 C ATOM 385 O ARG A 34 7.906 -13.394 4.524 1.00 0.00 O ATOM 386 CB ARG A 34 11.015 -12.673 3.897 1.00 0.00 C ATOM 387 CG ARG A 34 11.176 -12.769 5.404 1.00 0.00 C ATOM 388 CD ARG A 34 11.781 -14.097 5.821 1.00 0.00 C ATOM 389 NE ARG A 34 10.845 -15.207 5.642 1.00 0.00 N ATOM 390 CZ ARG A 34 10.748 -16.246 6.472 1.00 0.00 C ATOM 391 NH1 ARG A 34 11.529 -16.331 7.543 1.00 0.00 N ATOM 392 NH2 ARG A 34 9.866 -17.206 6.231 1.00 0.00 N ATOM 0 H ARG A 34 9.321 -11.194 5.306 1.00 0.00 H new ATOM 0 HA ARG A 34 9.722 -11.776 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.161 -13.661 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.797 -12.029 3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.810 -11.954 5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.204 -12.646 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.682 -14.284 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.085 -14.044 6.866 1.00 0.00 H new ATOM 0 HE ARG A 34 10.227 -15.185 4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.211 -15.597 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.447 -17.130 8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.262 -17.150 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.791 -18.001 6.866 1.00 0.00 H new ATOM 406 N SER A 35 8.520 -14.021 2.452 1.00 0.00 N ATOM 407 CA SER A 35 7.565 -15.124 2.380 1.00 0.00 C ATOM 408 C SER A 35 7.659 -16.010 3.619 1.00 0.00 C ATOM 409 O SER A 35 8.752 -16.319 4.091 1.00 0.00 O ATOM 410 CB SER A 35 7.812 -15.957 1.119 1.00 0.00 C ATOM 411 OG SER A 35 6.618 -16.119 0.373 1.00 0.00 O ATOM 0 H SER A 35 9.096 -13.908 1.618 1.00 0.00 H new ATOM 0 HA SER A 35 6.561 -14.701 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.568 -15.472 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.207 -16.934 1.396 1.00 0.00 H new ATOM 0 HG SER A 35 6.803 -16.653 -0.428 1.00 0.00 H new ATOM 417 N LYS A 36 6.506 -16.412 4.142 1.00 0.00 N ATOM 418 CA LYS A 36 6.457 -17.259 5.329 1.00 0.00 C ATOM 419 C LYS A 36 7.016 -18.652 5.046 1.00 0.00 C ATOM 420 O LYS A 36 7.458 -19.350 5.958 1.00 0.00 O ATOM 421 CB LYS A 36 5.022 -17.373 5.842 1.00 0.00 C ATOM 422 CG LYS A 36 4.051 -17.935 4.815 1.00 0.00 C ATOM 423 CD LYS A 36 3.148 -16.853 4.252 1.00 0.00 C ATOM 424 CE LYS A 36 2.466 -17.304 2.968 1.00 0.00 C ATOM 425 NZ LYS A 36 3.035 -16.626 1.771 1.00 0.00 N ATOM 0 H LYS A 36 5.592 -16.165 3.763 1.00 0.00 H new ATOM 0 HA LYS A 36 7.078 -16.791 6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.011 -18.010 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.677 -16.387 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.609 -18.403 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.443 -18.714 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.393 -16.587 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.734 -15.954 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.573 -18.383 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.398 -17.094 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.544 -16.960 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.910 -15.598 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.049 -16.846 1.696 1.00 0.00 H new ATOM 439 N GLU A 37 6.990 -19.054 3.778 1.00 0.00 N ATOM 440 CA GLU A 37 7.490 -20.367 3.385 1.00 0.00 C ATOM 441 C GLU A 37 9.010 -20.427 3.484 1.00 0.00 C ATOM 442 O GLU A 37 9.566 -21.340 4.095 1.00 0.00 O ATOM 443 CB GLU A 37 7.047 -20.697 1.958 1.00 0.00 C ATOM 444 CG GLU A 37 6.647 -22.150 1.766 1.00 0.00 C ATOM 445 CD GLU A 37 5.241 -22.436 2.256 1.00 0.00 C ATOM 446 OE1 GLU A 37 4.290 -21.837 1.714 1.00 0.00 O ATOM 447 OE2 GLU A 37 5.092 -23.260 3.184 1.00 0.00 O ATOM 0 H GLU A 37 6.629 -18.491 3.008 1.00 0.00 H new ATOM 0 HA GLU A 37 7.072 -21.105 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.205 -20.059 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.858 -20.458 1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.719 -22.406 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.351 -22.790 2.298 1.00 0.00 H new ATOM 454 N ASN A 38 9.677 -19.450 2.880 1.00 0.00 N ATOM 455 CA ASN A 38 11.134 -19.395 2.900 1.00 0.00 C ATOM 456 C ASN A 38 11.620 -17.979 3.200 1.00 0.00 C ATOM 457 O ASN A 38 10.878 -17.012 3.034 1.00 0.00 O ATOM 458 CB ASN A 38 11.698 -19.867 1.560 1.00 0.00 C ATOM 459 CG ASN A 38 11.100 -19.121 0.385 1.00 0.00 C ATOM 460 OD1 ASN A 38 11.586 -18.060 -0.005 1.00 0.00 O ATOM 461 ND2 ASN A 38 10.035 -19.672 -0.186 1.00 0.00 N ATOM 0 H ASN A 38 9.233 -18.686 2.371 1.00 0.00 H new ATOM 0 HA ASN A 38 11.489 -20.057 3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.780 -19.735 1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.507 -20.934 1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.588 -19.214 -0.980 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.664 -20.553 0.169 1.00 0.00 H new ATOM 468 N HIS A 39 12.870 -17.867 3.642 1.00 0.00 N ATOM 469 CA HIS A 39 13.447 -16.567 3.962 1.00 0.00 C ATOM 470 C HIS A 39 13.688 -15.752 2.694 1.00 0.00 C ATOM 471 O HIS A 39 14.830 -15.469 2.333 1.00 0.00 O ATOM 472 CB HIS A 39 14.760 -16.738 4.733 1.00 0.00 C ATOM 473 CG HIS A 39 14.570 -17.101 6.174 1.00 0.00 C ATOM 474 ND1 HIS A 39 14.420 -16.163 7.176 1.00 0.00 N ATOM 475 CD2 HIS A 39 14.513 -18.309 6.781 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.281 -16.781 8.337 1.00 0.00 C ATOM 477 NE2 HIS A 39 14.333 -18.083 8.124 1.00 0.00 N ATOM 0 H HIS A 39 13.499 -18.657 3.786 1.00 0.00 H new ATOM 0 HA HIS A 39 12.737 -16.028 4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.357 -17.511 4.249 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.329 -15.810 4.673 1.00 0.00 H new ATOM 0 HD2 HIS A 39 14.594 -19.272 6.299 1.00 0.00 H new ATOM 0 HE1 HIS A 39 14.148 -16.302 9.296 1.00 0.00 H new ATOM 0 HE2 HIS A 39 14.253 -18.804 8.841 1.00 0.00 H new ATOM 486 N ALA A 40 12.603 -15.379 2.021 1.00 0.00 N ATOM 487 CA ALA A 40 12.697 -14.597 0.794 1.00 0.00 C ATOM 488 C ALA A 40 11.848 -13.333 0.880 1.00 0.00 C ATOM 489 O ALA A 40 10.636 -13.399 1.085 1.00 0.00 O ATOM 490 CB ALA A 40 12.271 -15.439 -0.400 1.00 0.00 C ATOM 0 H ALA A 40 11.650 -15.606 2.305 1.00 0.00 H new ATOM 0 HA ALA A 40 13.736 -14.296 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.346 -14.844 -1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.921 -16.310 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.240 -15.767 -0.265 1.00 0.00 H new ATOM 496 N ASP A 41 12.495 -12.183 0.724 1.00 0.00 N ATOM 497 CA ASP A 41 11.809 -10.898 0.783 1.00 0.00 C ATOM 498 C ASP A 41 10.625 -10.854 -0.181 1.00 0.00 C ATOM 499 O ASP A 41 10.673 -11.425 -1.270 1.00 0.00 O ATOM 500 CB ASP A 41 12.785 -9.772 0.446 1.00 0.00 C ATOM 501 CG ASP A 41 13.534 -10.029 -0.846 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.589 -10.696 -0.801 1.00 0.00 O ATOM 503 OD2 ASP A 41 13.065 -9.563 -1.906 1.00 0.00 O ATOM 0 H ASP A 41 13.499 -12.115 0.555 1.00 0.00 H new ATOM 0 HA ASP A 41 11.429 -10.767 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.239 -8.832 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.499 -9.657 1.261 1.00 0.00 H new ATOM 508 N LEU A 42 9.568 -10.159 0.229 1.00 0.00 N ATOM 509 CA LEU A 42 8.371 -10.021 -0.594 1.00 0.00 C ATOM 510 C LEU A 42 8.241 -8.592 -1.111 1.00 0.00 C ATOM 511 O LEU A 42 7.687 -8.353 -2.183 1.00 0.00 O ATOM 512 CB LEU A 42 7.122 -10.394 0.211 1.00 0.00 C ATOM 513 CG LEU A 42 7.175 -11.752 0.912 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.828 -12.078 1.540 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.585 -12.842 -0.067 1.00 0.00 C ATOM 0 H LEU A 42 9.516 -9.681 1.129 1.00 0.00 H new ATOM 0 HA LEU A 42 8.462 -10.699 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.951 -9.623 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.262 -10.383 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 42 7.922 -11.703 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.882 -13.048 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.572 -11.311 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.063 -12.109 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.617 -13.801 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.861 -12.892 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.571 -12.615 -0.473 1.00 0.00 H new ATOM 527 N GLY A 43 8.752 -7.644 -0.331 1.00 0.00 N ATOM 528 CA GLY A 43 8.687 -6.245 -0.709 1.00 0.00 C ATOM 529 C GLY A 43 8.432 -5.346 0.484 1.00 0.00 C ATOM 530 O GLY A 43 8.331 -5.826 1.614 1.00 0.00 O ATOM 0 H GLY A 43 9.213 -7.822 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.622 -5.955 -1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.895 -6.105 -1.445 1.00 0.00 H new ATOM 534 N ILE A 44 8.326 -4.044 0.238 1.00 0.00 N ATOM 535 CA ILE A 44 8.081 -3.085 1.310 1.00 0.00 C ATOM 536 C ILE A 44 6.661 -2.536 1.245 1.00 0.00 C ATOM 537 O ILE A 44 6.132 -2.273 0.164 1.00 0.00 O ATOM 538 CB ILE A 44 9.078 -1.910 1.268 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.309 -1.454 -0.177 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.389 -2.306 1.934 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.537 -2.063 -0.825 1.00 0.00 C ATOM 0 H ILE A 44 8.406 -3.630 -0.691 1.00 0.00 H new ATOM 0 HA ILE A 44 8.217 -3.626 2.246 1.00 0.00 H new ATOM 0 HB ILE A 44 8.656 -1.071 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.432 -1.709 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.402 -0.368 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.084 -1.467 1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.202 -2.577 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.821 -3.158 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.632 -1.692 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.424 -1.787 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.439 -3.148 -0.842 1.00 0.00 H new ATOM 553 N PHE A 45 6.048 -2.368 2.412 1.00 0.00 N ATOM 554 CA PHE A 45 4.686 -1.853 2.498 1.00 0.00 C ATOM 555 C PHE A 45 4.612 -0.687 3.474 1.00 0.00 C ATOM 556 O PHE A 45 5.275 -0.692 4.513 1.00 0.00 O ATOM 557 CB PHE A 45 3.720 -2.960 2.938 1.00 0.00 C ATOM 558 CG PHE A 45 4.156 -4.341 2.535 1.00 0.00 C ATOM 559 CD1 PHE A 45 3.841 -4.845 1.284 1.00 0.00 C ATOM 560 CD2 PHE A 45 4.886 -5.134 3.407 1.00 0.00 C ATOM 561 CE1 PHE A 45 4.242 -6.113 0.910 1.00 0.00 C ATOM 562 CE2 PHE A 45 5.290 -6.402 3.040 1.00 0.00 C ATOM 563 CZ PHE A 45 4.969 -6.893 1.789 1.00 0.00 C ATOM 0 H PHE A 45 6.474 -2.582 3.314 1.00 0.00 H new ATOM 0 HA PHE A 45 4.395 -1.501 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.612 -2.925 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.736 -2.761 2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.275 -4.239 0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.142 -4.755 4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.988 -6.494 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.856 -7.010 3.730 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.286 -7.884 1.499 1.00 0.00 H new ATOM 573 N VAL A 46 3.801 0.310 3.138 1.00 0.00 N ATOM 574 CA VAL A 46 3.639 1.481 3.991 1.00 0.00 C ATOM 575 C VAL A 46 3.167 1.075 5.384 1.00 0.00 C ATOM 576 O VAL A 46 2.000 0.737 5.580 1.00 0.00 O ATOM 577 CB VAL A 46 2.640 2.484 3.383 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.573 3.753 4.222 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.017 2.810 1.945 1.00 0.00 C ATOM 0 H VAL A 46 3.246 0.331 2.282 1.00 0.00 H new ATOM 0 HA VAL A 46 4.614 1.963 4.068 1.00 0.00 H new ATOM 0 HB VAL A 46 1.652 2.024 3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.862 4.448 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.251 3.504 5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.559 4.217 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.300 3.520 1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.015 3.247 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.006 1.897 1.350 1.00 0.00 H new ATOM 589 N LYS A 47 4.082 1.103 6.348 1.00 0.00 N ATOM 590 CA LYS A 47 3.760 0.733 7.722 1.00 0.00 C ATOM 591 C LYS A 47 2.914 1.810 8.388 1.00 0.00 C ATOM 592 O LYS A 47 1.944 1.511 9.085 1.00 0.00 O ATOM 593 CB LYS A 47 5.042 0.501 8.528 1.00 0.00 C ATOM 594 CG LYS A 47 4.789 0.136 9.982 1.00 0.00 C ATOM 595 CD LYS A 47 4.257 -1.282 10.116 1.00 0.00 C ATOM 596 CE LYS A 47 3.554 -1.486 11.448 1.00 0.00 C ATOM 597 NZ LYS A 47 2.910 -2.825 11.537 1.00 0.00 N ATOM 0 H LYS A 47 5.053 1.378 6.203 1.00 0.00 H new ATOM 0 HA LYS A 47 3.186 -0.193 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.618 -0.295 8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.654 1.402 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.715 0.234 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.075 0.836 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.564 -1.491 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.080 -1.991 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.274 -1.375 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.800 -0.711 11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.442 -2.924 12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.205 -2.922 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.633 -3.565 11.434 1.00 0.00 H new ATOM 611 N SER A 48 3.287 3.063 8.166 1.00 0.00 N ATOM 612 CA SER A 48 2.561 4.186 8.743 1.00 0.00 C ATOM 613 C SER A 48 2.987 5.502 8.102 1.00 0.00 C ATOM 614 O SER A 48 4.177 5.800 8.003 1.00 0.00 O ATOM 615 CB SER A 48 2.788 4.245 10.255 1.00 0.00 C ATOM 616 OG SER A 48 4.036 3.673 10.607 1.00 0.00 O ATOM 0 H SER A 48 4.087 3.327 7.591 1.00 0.00 H new ATOM 0 HA SER A 48 1.499 4.036 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.752 5.281 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.985 3.716 10.767 1.00 0.00 H new ATOM 0 HG SER A 48 4.157 3.725 11.578 1.00 0.00 H new ATOM 622 N ILE A 49 2.005 6.284 7.667 1.00 0.00 N ATOM 623 CA ILE A 49 2.277 7.566 7.032 1.00 0.00 C ATOM 624 C ILE A 49 2.202 8.708 8.040 1.00 0.00 C ATOM 625 O ILE A 49 1.155 8.961 8.634 1.00 0.00 O ATOM 626 CB ILE A 49 1.292 7.839 5.876 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.450 6.771 4.794 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.511 9.230 5.290 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.474 6.923 3.649 1.00 0.00 C ATOM 0 H ILE A 49 1.015 6.052 7.743 1.00 0.00 H new ATOM 0 HA ILE A 49 3.289 7.513 6.630 1.00 0.00 H new ATOM 0 HB ILE A 49 0.276 7.797 6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.466 6.810 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.319 5.787 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.804 9.398 4.477 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.356 9.980 6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.529 9.308 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.644 6.132 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.546 6.854 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.619 7.893 3.173 1.00 0.00 H new ATOM 641 N ILE A 50 3.323 9.397 8.219 1.00 0.00 N ATOM 642 CA ILE A 50 3.395 10.521 9.144 1.00 0.00 C ATOM 643 C ILE A 50 2.322 11.557 8.816 1.00 0.00 C ATOM 644 O ILE A 50 2.430 12.276 7.825 1.00 0.00 O ATOM 645 CB ILE A 50 4.792 11.188 9.106 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.825 10.300 9.799 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.763 12.568 9.757 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.808 9.646 8.851 1.00 0.00 C ATOM 0 H ILE A 50 4.197 9.196 7.734 1.00 0.00 H new ATOM 0 HA ILE A 50 3.223 10.133 10.148 1.00 0.00 H new ATOM 0 HB ILE A 50 5.075 11.312 8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.377 10.899 10.523 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.304 9.523 10.359 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.758 13.011 9.715 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.059 13.207 9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.452 12.473 10.797 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.508 9.033 9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.268 9.018 8.142 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.357 10.416 8.309 1.00 0.00 H new ATOM 660 N ASN A 51 1.293 11.626 9.656 1.00 0.00 N ATOM 661 CA ASN A 51 0.207 12.578 9.451 1.00 0.00 C ATOM 662 C ASN A 51 0.723 14.009 9.548 1.00 0.00 C ATOM 663 O ASN A 51 0.547 14.681 10.564 1.00 0.00 O ATOM 664 CB ASN A 51 -0.917 12.352 10.471 1.00 0.00 C ATOM 665 CG ASN A 51 -0.395 12.050 11.864 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.535 10.933 12.362 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.209 13.047 12.499 1.00 0.00 N ATOM 0 H ASN A 51 1.189 11.036 10.482 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.196 12.418 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.550 13.238 10.509 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.545 11.526 10.136 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.579 12.903 13.438 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.303 13.957 12.047 1.00 0.00 H new ATOM 674 N GLY A 52 1.367 14.463 8.480 1.00 0.00 N ATOM 675 CA GLY A 52 1.913 15.803 8.450 1.00 0.00 C ATOM 676 C GLY A 52 3.066 15.921 7.474 1.00 0.00 C ATOM 677 O GLY A 52 3.339 17.001 6.950 1.00 0.00 O ATOM 0 H GLY A 52 1.521 13.921 7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.129 16.508 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.253 16.079 9.448 1.00 0.00 H new ATOM 681 N GLY A 53 3.744 14.803 7.225 1.00 0.00 N ATOM 682 CA GLY A 53 4.862 14.804 6.305 1.00 0.00 C ATOM 683 C GLY A 53 4.437 15.053 4.871 1.00 0.00 C ATOM 684 O GLY A 53 3.279 15.372 4.602 1.00 0.00 O ATOM 0 H GLY A 53 3.536 13.897 7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.575 15.571 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.379 13.846 6.366 1.00 0.00 H new ATOM 688 N ALA A 54 5.382 14.914 3.950 1.00 0.00 N ATOM 689 CA ALA A 54 5.121 15.132 2.532 1.00 0.00 C ATOM 690 C ALA A 54 4.133 14.117 1.964 1.00 0.00 C ATOM 691 O ALA A 54 3.283 14.459 1.144 1.00 0.00 O ATOM 692 CB ALA A 54 6.425 15.084 1.757 1.00 0.00 C ATOM 0 H ALA A 54 6.344 14.649 4.162 1.00 0.00 H new ATOM 0 HA ALA A 54 4.666 16.117 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.225 15.247 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.095 15.861 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.893 14.109 1.892 1.00 0.00 H new ATOM 698 N ALA A 55 4.258 12.868 2.395 1.00 0.00 N ATOM 699 CA ALA A 55 3.379 11.808 1.914 1.00 0.00 C ATOM 700 C ALA A 55 1.940 12.052 2.335 1.00 0.00 C ATOM 701 O ALA A 55 1.022 11.979 1.518 1.00 0.00 O ATOM 702 CB ALA A 55 3.854 10.458 2.421 1.00 0.00 C ATOM 0 H ALA A 55 4.956 12.564 3.074 1.00 0.00 H new ATOM 0 HA ALA A 55 3.416 11.810 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.188 9.677 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.866 10.270 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.849 10.456 3.511 1.00 0.00 H new ATOM 708 N SER A 56 1.748 12.348 3.612 1.00 0.00 N ATOM 709 CA SER A 56 0.415 12.609 4.137 1.00 0.00 C ATOM 710 C SER A 56 -0.173 13.844 3.466 1.00 0.00 C ATOM 711 O SER A 56 -1.385 13.948 3.275 1.00 0.00 O ATOM 712 CB SER A 56 0.467 12.811 5.651 1.00 0.00 C ATOM 713 OG SER A 56 1.063 14.053 5.978 1.00 0.00 O ATOM 0 H SER A 56 2.496 12.413 4.303 1.00 0.00 H new ATOM 0 HA SER A 56 -0.220 11.749 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.542 12.769 6.062 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.033 12.000 6.110 1.00 0.00 H new ATOM 0 HG SER A 56 1.786 14.246 5.345 1.00 0.00 H new ATOM 719 N LYS A 57 0.704 14.775 3.107 1.00 0.00 N ATOM 720 CA LYS A 57 0.300 16.008 2.451 1.00 0.00 C ATOM 721 C LYS A 57 -0.056 15.756 0.992 1.00 0.00 C ATOM 722 O LYS A 57 -0.956 16.390 0.440 1.00 0.00 O ATOM 723 CB LYS A 57 1.417 17.027 2.552 1.00 0.00 C ATOM 724 CG LYS A 57 1.518 17.629 3.935 1.00 0.00 C ATOM 725 CD LYS A 57 2.681 18.581 4.027 1.00 0.00 C ATOM 726 CE LYS A 57 2.244 20.000 3.717 1.00 0.00 C ATOM 727 NZ LYS A 57 3.249 21.005 4.162 1.00 0.00 N ATOM 0 H LYS A 57 1.709 14.695 3.262 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.588 16.396 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.364 16.552 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.250 17.820 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.594 18.155 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.634 16.835 4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.112 18.539 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.462 18.276 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.080 20.102 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.291 20.200 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.910 21.961 3.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.387 20.926 5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.152 20.831 3.677 1.00 0.00 H new ATOM 741 N ASP A 58 0.656 14.818 0.374 1.00 0.00 N ATOM 742 CA ASP A 58 0.421 14.470 -1.022 1.00 0.00 C ATOM 743 C ASP A 58 -1.011 13.984 -1.224 1.00 0.00 C ATOM 744 O ASP A 58 -1.575 14.117 -2.310 1.00 0.00 O ATOM 745 CB ASP A 58 1.407 13.389 -1.470 1.00 0.00 C ATOM 746 CG ASP A 58 1.378 13.167 -2.969 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.168 14.149 -3.711 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.567 12.010 -3.401 1.00 0.00 O ATOM 0 H ASP A 58 1.402 14.285 0.820 1.00 0.00 H new ATOM 0 HA ASP A 58 0.572 15.364 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.415 13.672 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.172 12.454 -0.962 1.00 0.00 H new ATOM 753 N GLY A 59 -1.593 13.420 -0.170 1.00 0.00 N ATOM 754 CA GLY A 59 -2.953 12.923 -0.250 1.00 0.00 C ATOM 755 C GLY A 59 -3.122 11.852 -1.309 1.00 0.00 C ATOM 756 O GLY A 59 -4.126 11.826 -2.020 1.00 0.00 O ATOM 0 H GLY A 59 -1.146 13.299 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.246 12.519 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.627 13.752 -0.467 1.00 0.00 H new ATOM 760 N ARG A 60 -2.137 10.964 -1.417 1.00 0.00 N ATOM 761 CA ARG A 60 -2.186 9.887 -2.397 1.00 0.00 C ATOM 762 C ARG A 60 -1.771 8.560 -1.769 1.00 0.00 C ATOM 763 O ARG A 60 -2.370 7.519 -2.039 1.00 0.00 O ATOM 764 CB ARG A 60 -1.280 10.210 -3.588 1.00 0.00 C ATOM 765 CG ARG A 60 -2.045 10.520 -4.864 1.00 0.00 C ATOM 766 CD ARG A 60 -1.217 11.368 -5.818 1.00 0.00 C ATOM 767 NE ARG A 60 -1.006 12.719 -5.304 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.669 13.759 -6.065 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.496 13.605 -7.371 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.500 14.955 -5.517 1.00 0.00 N ATOM 0 H ARG A 60 -1.297 10.970 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.214 9.795 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.650 11.063 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.615 9.365 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.328 9.589 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.969 11.044 -4.618 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.252 10.889 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.718 11.422 -6.784 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.124 12.875 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.621 12.687 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.238 14.405 -7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.628 15.078 -4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.242 15.751 -6.100 1.00 0.00 H new ATOM 784 N LEU A 61 -0.742 8.605 -0.931 1.00 0.00 N ATOM 785 CA LEU A 61 -0.245 7.408 -0.266 1.00 0.00 C ATOM 786 C LEU A 61 -1.337 6.741 0.562 1.00 0.00 C ATOM 787 O LEU A 61 -2.388 7.327 0.816 1.00 0.00 O ATOM 788 CB LEU A 61 0.944 7.751 0.633 1.00 0.00 C ATOM 789 CG LEU A 61 2.264 7.973 -0.100 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.488 9.455 -0.364 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.426 7.382 0.690 1.00 0.00 C ATOM 0 H LEU A 61 -0.236 9.459 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 61 0.076 6.710 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.704 8.651 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.078 6.946 1.356 1.00 0.00 H new ATOM 0 HG LEU A 61 2.212 7.460 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.434 9.592 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.674 9.842 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.516 9.993 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.357 7.552 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.482 7.860 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.271 6.311 0.819 1.00 0.00 H new ATOM 803 N ARG A 62 -1.068 5.512 0.983 1.00 0.00 N ATOM 804 CA ARG A 62 -2.011 4.748 1.788 1.00 0.00 C ATOM 805 C ARG A 62 -1.299 3.595 2.484 1.00 0.00 C ATOM 806 O ARG A 62 -0.734 2.718 1.829 1.00 0.00 O ATOM 807 CB ARG A 62 -3.145 4.220 0.920 1.00 0.00 C ATOM 808 CG ARG A 62 -4.433 5.000 1.100 1.00 0.00 C ATOM 809 CD ARG A 62 -5.398 4.764 -0.045 1.00 0.00 C ATOM 810 NE ARG A 62 -4.723 4.719 -1.341 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.364 3.593 -1.959 1.00 0.00 C ATOM 812 NH1 ARG A 62 -4.596 2.410 -1.399 1.00 0.00 N ATOM 813 NH2 ARG A 62 -3.764 3.650 -3.139 1.00 0.00 N ATOM 0 H ARG A 62 -0.198 5.020 0.778 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.433 5.408 2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.844 4.260 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.323 3.172 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.905 4.711 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.207 6.064 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.929 3.826 0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.146 5.556 -0.055 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.513 5.605 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.053 2.358 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.318 1.555 -1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.577 4.554 -3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.489 2.790 -3.613 1.00 0.00 H new ATOM 827 N VAL A 63 -1.318 3.603 3.813 1.00 0.00 N ATOM 828 CA VAL A 63 -0.663 2.556 4.588 1.00 0.00 C ATOM 829 C VAL A 63 -1.028 1.169 4.069 1.00 0.00 C ATOM 830 O VAL A 63 -2.160 0.935 3.645 1.00 0.00 O ATOM 831 CB VAL A 63 -1.018 2.652 6.084 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.212 1.642 6.889 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.773 4.063 6.594 1.00 0.00 C ATOM 0 H VAL A 63 -1.778 4.320 4.374 1.00 0.00 H new ATOM 0 HA VAL A 63 0.410 2.707 4.472 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.076 2.420 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.475 1.724 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.435 0.635 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.852 1.843 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.028 4.117 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.278 4.321 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.393 4.764 6.035 1.00 0.00 H new ATOM 843 N ASN A 64 -0.052 0.262 4.098 1.00 0.00 N ATOM 844 CA ASN A 64 -0.234 -1.113 3.628 1.00 0.00 C ATOM 845 C ASN A 64 0.000 -1.221 2.122 1.00 0.00 C ATOM 846 O ASN A 64 -0.003 -2.319 1.566 1.00 0.00 O ATOM 847 CB ASN A 64 -1.628 -1.644 3.984 1.00 0.00 C ATOM 848 CG ASN A 64 -2.012 -1.345 5.420 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.417 -1.877 6.357 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.012 -0.491 5.599 1.00 0.00 N ATOM 0 H ASN A 64 0.886 0.458 4.447 1.00 0.00 H new ATOM 0 HA ASN A 64 0.509 -1.727 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.365 -1.200 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.656 -2.721 3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.316 -0.252 6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.477 -0.074 4.793 1.00 0.00 H new ATOM 857 N ASP A 65 0.213 -0.082 1.465 1.00 0.00 N ATOM 858 CA ASP A 65 0.460 -0.070 0.029 1.00 0.00 C ATOM 859 C ASP A 65 1.859 -0.597 -0.274 1.00 0.00 C ATOM 860 O ASP A 65 2.845 -0.127 0.293 1.00 0.00 O ATOM 861 CB ASP A 65 0.302 1.346 -0.527 1.00 0.00 C ATOM 862 CG ASP A 65 -1.144 1.695 -0.821 1.00 0.00 C ATOM 863 OD1 ASP A 65 -2.001 1.460 0.056 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.418 2.202 -1.929 1.00 0.00 O ATOM 0 H ASP A 65 0.219 0.839 1.904 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.272 -0.720 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.707 2.061 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.889 1.442 -1.441 1.00 0.00 H new ATOM 869 N GLN A 66 1.936 -1.578 -1.164 1.00 0.00 N ATOM 870 CA GLN A 66 3.214 -2.174 -1.535 1.00 0.00 C ATOM 871 C GLN A 66 3.949 -1.291 -2.540 1.00 0.00 C ATOM 872 O GLN A 66 3.349 -0.780 -3.483 1.00 0.00 O ATOM 873 CB GLN A 66 2.987 -3.571 -2.115 1.00 0.00 C ATOM 874 CG GLN A 66 4.201 -4.155 -2.823 1.00 0.00 C ATOM 875 CD GLN A 66 4.545 -5.549 -2.336 1.00 0.00 C ATOM 876 OE1 GLN A 66 3.840 -6.513 -2.630 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.637 -5.659 -1.589 1.00 0.00 N ATOM 0 H GLN A 66 1.129 -1.978 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 66 3.833 -2.258 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.691 -4.243 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.155 -3.530 -2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.012 -4.185 -3.896 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.057 -3.499 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.191 -4.831 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.922 -6.572 -1.233 1.00 0.00 H new ATOM 886 N LEU A 67 5.250 -1.117 -2.328 1.00 0.00 N ATOM 887 CA LEU A 67 6.060 -0.293 -3.215 1.00 0.00 C ATOM 888 C LEU A 67 6.630 -1.114 -4.365 1.00 0.00 C ATOM 889 O LEU A 67 7.171 -2.201 -4.161 1.00 0.00 O ATOM 890 CB LEU A 67 7.200 0.369 -2.440 1.00 0.00 C ATOM 891 CG LEU A 67 6.758 1.255 -1.275 1.00 0.00 C ATOM 892 CD1 LEU A 67 7.950 1.621 -0.401 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.068 2.509 -1.795 1.00 0.00 C ATOM 0 H LEU A 67 5.763 -1.535 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 67 5.412 0.479 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.859 -0.410 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.789 0.971 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 67 6.046 0.698 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.617 2.252 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.402 0.712 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.686 2.161 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.759 3.130 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.759 3.069 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.192 2.227 -2.379 1.00 0.00 H new ATOM 905 N ILE A 68 6.506 -0.579 -5.572 1.00 0.00 N ATOM 906 CA ILE A 68 7.009 -1.249 -6.765 1.00 0.00 C ATOM 907 C ILE A 68 8.109 -0.428 -7.430 1.00 0.00 C ATOM 908 O ILE A 68 9.012 -0.976 -8.062 1.00 0.00 O ATOM 909 CB ILE A 68 5.884 -1.499 -7.786 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.669 -2.120 -7.096 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.377 -2.395 -8.912 1.00 0.00 C ATOM 912 CD1 ILE A 68 4.937 -3.493 -6.521 1.00 0.00 C ATOM 0 H ILE A 68 6.060 0.320 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 68 7.416 -2.208 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 68 5.585 -0.543 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.338 -1.458 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.850 -2.188 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.569 -2.561 -9.625 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.215 -1.915 -9.418 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.701 -3.351 -8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.032 -3.872 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.239 -4.170 -7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.734 -3.428 -5.780 1.00 0.00 H new ATOM 924 N ALA A 69 8.026 0.893 -7.285 1.00 0.00 N ATOM 925 CA ALA A 69 9.015 1.789 -7.872 1.00 0.00 C ATOM 926 C ALA A 69 9.003 3.151 -7.184 1.00 0.00 C ATOM 927 O ALA A 69 8.019 3.534 -6.550 1.00 0.00 O ATOM 928 CB ALA A 69 8.762 1.945 -9.364 1.00 0.00 C ATOM 0 H ALA A 69 7.285 1.364 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 69 10.001 1.349 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.507 2.616 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.831 0.971 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.766 2.360 -9.523 1.00 0.00 H new ATOM 934 N VAL A 70 10.106 3.878 -7.320 1.00 0.00 N ATOM 935 CA VAL A 70 10.236 5.203 -6.720 1.00 0.00 C ATOM 936 C VAL A 70 11.074 6.114 -7.616 1.00 0.00 C ATOM 937 O VAL A 70 12.199 5.773 -7.978 1.00 0.00 O ATOM 938 CB VAL A 70 10.886 5.130 -5.324 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.272 4.509 -5.410 1.00 0.00 C ATOM 940 CG2 VAL A 70 10.948 6.510 -4.684 1.00 0.00 C ATOM 0 H VAL A 70 10.927 3.572 -7.842 1.00 0.00 H new ATOM 0 HA VAL A 70 9.231 5.612 -6.615 1.00 0.00 H new ATOM 0 HB VAL A 70 10.267 4.493 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.714 4.466 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.194 3.500 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.902 5.115 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.410 6.434 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.539 7.176 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.939 6.909 -4.581 1.00 0.00 H new ATOM 950 N ASN A 71 10.517 7.265 -7.976 1.00 0.00 N ATOM 951 CA ASN A 71 11.218 8.215 -8.836 1.00 0.00 C ATOM 952 C ASN A 71 11.531 7.592 -10.196 1.00 0.00 C ATOM 953 O ASN A 71 12.392 8.082 -10.927 1.00 0.00 O ATOM 954 CB ASN A 71 12.514 8.680 -8.173 1.00 0.00 C ATOM 955 CG ASN A 71 12.267 9.464 -6.900 1.00 0.00 C ATOM 956 OD1 ASN A 71 11.929 10.647 -6.942 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.436 8.807 -5.759 1.00 0.00 N ATOM 0 H ASN A 71 9.585 7.563 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 71 10.565 9.074 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.134 7.812 -7.947 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.075 9.299 -8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.285 9.283 -4.869 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.717 7.827 -5.772 1.00 0.00 H new ATOM 964 N GLY A 72 10.834 6.509 -10.527 1.00 0.00 N ATOM 965 CA GLY A 72 11.062 5.838 -11.791 1.00 0.00 C ATOM 966 C GLY A 72 12.094 4.734 -11.673 1.00 0.00 C ATOM 967 O GLY A 72 12.753 4.383 -12.651 1.00 0.00 O ATOM 0 H GLY A 72 10.115 6.085 -9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.123 5.419 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.393 6.565 -12.532 1.00 0.00 H new ATOM 971 N GLU A 73 12.237 4.193 -10.466 1.00 0.00 N ATOM 972 CA GLU A 73 13.200 3.127 -10.215 1.00 0.00 C ATOM 973 C GLU A 73 12.511 1.911 -9.606 1.00 0.00 C ATOM 974 O GLU A 73 12.220 1.886 -8.410 1.00 0.00 O ATOM 975 CB GLU A 73 14.311 3.620 -9.283 1.00 0.00 C ATOM 976 CG GLU A 73 14.642 5.098 -9.446 1.00 0.00 C ATOM 977 CD GLU A 73 16.127 5.350 -9.614 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.921 4.729 -8.877 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.496 6.169 -10.481 1.00 0.00 O ATOM 0 H GLU A 73 11.698 4.476 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 73 13.641 2.836 -11.168 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.014 3.436 -8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.212 3.034 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.111 5.492 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.281 5.645 -8.575 1.00 0.00 H new ATOM 986 N SER A 74 12.253 0.907 -10.435 1.00 0.00 N ATOM 987 CA SER A 74 11.597 -0.313 -9.979 1.00 0.00 C ATOM 988 C SER A 74 12.447 -1.035 -8.938 1.00 0.00 C ATOM 989 O SER A 74 13.666 -1.132 -9.075 1.00 0.00 O ATOM 990 CB SER A 74 11.322 -1.240 -11.163 1.00 0.00 C ATOM 991 OG SER A 74 12.473 -1.992 -11.503 1.00 0.00 O ATOM 0 H SER A 74 12.488 0.913 -11.428 1.00 0.00 H new ATOM 0 HA SER A 74 10.650 -0.035 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.503 -1.915 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.002 -0.651 -12.023 1.00 0.00 H new ATOM 0 HG SER A 74 12.269 -2.578 -12.262 1.00 0.00 H new ATOM 997 N LEU A 75 11.794 -1.538 -7.897 1.00 0.00 N ATOM 998 CA LEU A 75 12.486 -2.252 -6.831 1.00 0.00 C ATOM 999 C LEU A 75 12.267 -3.760 -6.942 1.00 0.00 C ATOM 1000 O LEU A 75 12.991 -4.544 -6.330 1.00 0.00 O ATOM 1001 CB LEU A 75 12.007 -1.758 -5.464 1.00 0.00 C ATOM 1002 CG LEU A 75 11.843 -0.242 -5.341 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.634 0.096 -4.483 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.102 0.385 -4.762 1.00 0.00 C ATOM 0 H LEU A 75 10.785 -1.464 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 75 13.553 -2.052 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.051 -2.230 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.714 -2.094 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 75 11.682 0.169 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.533 1.179 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.736 -0.321 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.765 -0.327 -3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.967 1.464 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.294 -0.031 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.948 0.173 -5.416 1.00 0.00 H new ATOM 1016 N LEU A 76 11.264 -4.161 -7.722 1.00 0.00 N ATOM 1017 CA LEU A 76 10.956 -5.576 -7.906 1.00 0.00 C ATOM 1018 C LEU A 76 12.179 -6.346 -8.396 1.00 0.00 C ATOM 1019 O LEU A 76 12.405 -6.475 -9.600 1.00 0.00 O ATOM 1020 CB LEU A 76 9.799 -5.742 -8.895 1.00 0.00 C ATOM 1021 CG LEU A 76 8.693 -6.695 -8.439 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.897 -6.081 -7.298 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.777 -7.043 -9.603 1.00 0.00 C ATOM 0 H LEU A 76 10.653 -3.526 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 76 10.661 -5.985 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.359 -4.763 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.199 -6.101 -9.843 1.00 0.00 H new ATOM 0 HG LEU A 76 9.156 -7.614 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.115 -6.773 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.561 -5.882 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.444 -5.147 -7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.996 -7.722 -9.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.322 -6.132 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.357 -7.524 -10.391 1.00 0.00 H new ATOM 1035 N GLY A 77 12.966 -6.851 -7.454 1.00 0.00 N ATOM 1036 CA GLY A 77 14.158 -7.600 -7.800 1.00 0.00 C ATOM 1037 C GLY A 77 15.182 -7.600 -6.682 1.00 0.00 C ATOM 1038 O GLY A 77 15.973 -8.533 -6.554 1.00 0.00 O ATOM 0 H GLY A 77 12.799 -6.754 -6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.883 -8.628 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.604 -7.174 -8.699 1.00 0.00 H new ATOM 1042 N LYS A 78 15.162 -6.548 -5.871 1.00 0.00 N ATOM 1043 CA LYS A 78 16.090 -6.422 -4.754 1.00 0.00 C ATOM 1044 C LYS A 78 15.385 -6.658 -3.430 1.00 0.00 C ATOM 1045 O LYS A 78 14.163 -6.554 -3.330 1.00 0.00 O ATOM 1046 CB LYS A 78 16.743 -5.038 -4.757 1.00 0.00 C ATOM 1047 CG LYS A 78 15.749 -3.893 -4.640 1.00 0.00 C ATOM 1048 CD LYS A 78 16.452 -2.561 -4.426 1.00 0.00 C ATOM 1049 CE LYS A 78 17.490 -2.289 -5.504 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.875 -2.299 -4.959 1.00 0.00 N ATOM 0 H LYS A 78 14.511 -5.768 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 78 16.863 -7.181 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.451 -4.978 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.315 -4.918 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.142 -3.844 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.069 -4.084 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.715 -1.758 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.934 -2.558 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.404 -3.041 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.289 -1.322 -5.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.551 -2.110 -5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.966 -1.565 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.077 -3.230 -4.541 1.00 0.00 H new ATOM 1064 N ALA A 79 16.173 -6.983 -2.419 1.00 0.00 N ATOM 1065 CA ALA A 79 15.650 -7.247 -1.092 1.00 0.00 C ATOM 1066 C ALA A 79 14.920 -6.030 -0.537 1.00 0.00 C ATOM 1067 O ALA A 79 15.152 -4.902 -0.974 1.00 0.00 O ATOM 1068 CB ALA A 79 16.787 -7.655 -0.175 1.00 0.00 C ATOM 0 H ALA A 79 17.186 -7.071 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 79 14.928 -8.061 -1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.396 -7.854 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.263 -8.555 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.520 -6.850 -0.124 1.00 0.00 H new ATOM 1074 N ASN A 80 14.032 -6.262 0.428 1.00 0.00 N ATOM 1075 CA ASN A 80 13.267 -5.174 1.036 1.00 0.00 C ATOM 1076 C ASN A 80 14.182 -4.049 1.495 1.00 0.00 C ATOM 1077 O ASN A 80 14.026 -2.902 1.084 1.00 0.00 O ATOM 1078 CB ASN A 80 12.460 -5.681 2.229 1.00 0.00 C ATOM 1079 CG ASN A 80 11.701 -6.953 1.925 1.00 0.00 C ATOM 1080 OD1 ASN A 80 10.775 -6.959 1.115 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.090 -8.039 2.575 1.00 0.00 N ATOM 0 H ASN A 80 13.825 -7.187 0.804 1.00 0.00 H new ATOM 0 HA ASN A 80 12.587 -4.790 0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.133 -5.857 3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.756 -4.909 2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.616 -8.928 2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.863 -7.987 3.238 1.00 0.00 H new ATOM 1088 N GLN A 81 15.133 -4.387 2.359 1.00 0.00 N ATOM 1089 CA GLN A 81 16.073 -3.404 2.890 1.00 0.00 C ATOM 1090 C GLN A 81 16.738 -2.603 1.773 1.00 0.00 C ATOM 1091 O GLN A 81 16.964 -1.399 1.909 1.00 0.00 O ATOM 1092 CB GLN A 81 17.143 -4.084 3.757 1.00 0.00 C ATOM 1093 CG GLN A 81 17.539 -5.479 3.293 1.00 0.00 C ATOM 1094 CD GLN A 81 18.969 -5.547 2.807 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.907 -5.631 3.601 1.00 0.00 O ATOM 1096 NE2 GLN A 81 19.142 -5.513 1.494 1.00 0.00 N ATOM 0 H GLN A 81 15.274 -5.335 2.707 1.00 0.00 H new ATOM 0 HA GLN A 81 15.502 -2.713 3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 81 18.033 -3.454 3.774 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.777 -4.146 4.782 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.405 -6.183 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.871 -5.794 2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.334 -5.443 0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.083 -5.557 1.102 1.00 0.00 H new ATOM 1105 N GLU A 82 17.041 -3.272 0.665 1.00 0.00 N ATOM 1106 CA GLU A 82 17.670 -2.616 -0.472 1.00 0.00 C ATOM 1107 C GLU A 82 16.684 -1.688 -1.157 1.00 0.00 C ATOM 1108 O GLU A 82 17.033 -0.581 -1.566 1.00 0.00 O ATOM 1109 CB GLU A 82 18.195 -3.652 -1.469 1.00 0.00 C ATOM 1110 CG GLU A 82 19.487 -4.320 -1.029 1.00 0.00 C ATOM 1111 CD GLU A 82 20.607 -4.146 -2.036 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.835 -3.001 -2.478 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.255 -5.156 -2.382 1.00 0.00 O ATOM 0 H GLU A 82 16.861 -4.267 0.532 1.00 0.00 H new ATOM 0 HA GLU A 82 18.512 -2.028 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.433 -4.417 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.356 -3.168 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.798 -3.905 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.307 -5.383 -0.872 1.00 0.00 H new ATOM 1120 N ALA A 83 15.446 -2.151 -1.281 1.00 0.00 N ATOM 1121 CA ALA A 83 14.408 -1.366 -1.918 1.00 0.00 C ATOM 1122 C ALA A 83 14.080 -0.130 -1.092 1.00 0.00 C ATOM 1123 O ALA A 83 14.060 0.988 -1.609 1.00 0.00 O ATOM 1124 CB ALA A 83 13.165 -2.207 -2.146 1.00 0.00 C ATOM 0 H ALA A 83 15.141 -3.066 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 83 14.779 -1.035 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.397 -1.599 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.411 -3.053 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.793 -2.573 -1.189 1.00 0.00 H new ATOM 1130 N MET A 84 13.841 -0.334 0.198 1.00 0.00 N ATOM 1131 CA MET A 84 13.535 0.771 1.095 1.00 0.00 C ATOM 1132 C MET A 84 14.699 1.749 1.134 1.00 0.00 C ATOM 1133 O MET A 84 14.510 2.949 1.323 1.00 0.00 O ATOM 1134 CB MET A 84 13.222 0.262 2.500 1.00 0.00 C ATOM 1135 CG MET A 84 14.363 -0.504 3.145 1.00 0.00 C ATOM 1136 SD MET A 84 13.965 -1.061 4.813 1.00 0.00 S ATOM 1137 CE MET A 84 12.221 -1.435 4.639 1.00 0.00 C ATOM 0 H MET A 84 13.853 -1.251 0.644 1.00 0.00 H new ATOM 0 HA MET A 84 12.652 1.286 0.717 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.963 1.110 3.134 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.344 -0.383 2.455 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.612 -1.367 2.527 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.249 0.130 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.845 -1.859 5.570 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.674 -0.520 4.410 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.082 -2.153 3.831 1.00 0.00 H new ATOM 1147 N GLU A 85 15.906 1.228 0.928 1.00 0.00 N ATOM 1148 CA GLU A 85 17.101 2.056 0.908 1.00 0.00 C ATOM 1149 C GLU A 85 17.178 2.794 -0.424 1.00 0.00 C ATOM 1150 O GLU A 85 17.643 3.931 -0.497 1.00 0.00 O ATOM 1151 CB GLU A 85 18.350 1.191 1.117 1.00 0.00 C ATOM 1152 CG GLU A 85 19.638 1.823 0.610 1.00 0.00 C ATOM 1153 CD GLU A 85 20.806 1.608 1.552 1.00 0.00 C ATOM 1154 OE1 GLU A 85 21.008 2.453 2.449 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.518 0.595 1.394 1.00 0.00 O ATOM 0 H GLU A 85 16.079 0.235 0.773 1.00 0.00 H new ATOM 0 HA GLU A 85 17.053 2.783 1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.457 0.978 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.205 0.235 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.883 1.405 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.482 2.893 0.469 1.00 0.00 H new ATOM 1162 N THR A 86 16.702 2.131 -1.474 1.00 0.00 N ATOM 1163 CA THR A 86 16.697 2.707 -2.811 1.00 0.00 C ATOM 1164 C THR A 86 15.716 3.874 -2.879 1.00 0.00 C ATOM 1165 O THR A 86 15.983 4.883 -3.531 1.00 0.00 O ATOM 1166 CB THR A 86 16.334 1.626 -3.838 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.478 0.867 -4.187 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.740 2.168 -5.122 1.00 0.00 C ATOM 0 H THR A 86 16.313 1.189 -1.422 1.00 0.00 H new ATOM 0 HA THR A 86 17.692 3.088 -3.043 1.00 0.00 H new ATOM 0 HB THR A 86 15.577 1.015 -3.345 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.664 0.212 -3.482 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.511 1.341 -5.794 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.825 2.716 -4.897 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.456 2.837 -5.600 1.00 0.00 H new ATOM 1176 N LEU A 87 14.593 3.744 -2.181 1.00 0.00 N ATOM 1177 CA LEU A 87 13.596 4.806 -2.148 1.00 0.00 C ATOM 1178 C LEU A 87 14.055 5.888 -1.186 1.00 0.00 C ATOM 1179 O LEU A 87 13.803 7.073 -1.392 1.00 0.00 O ATOM 1180 CB LEU A 87 12.216 4.269 -1.748 1.00 0.00 C ATOM 1181 CG LEU A 87 12.155 3.525 -0.416 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.073 4.507 0.744 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.964 2.578 -0.397 1.00 0.00 C ATOM 0 H LEU A 87 14.352 2.918 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 87 13.496 5.227 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.519 5.106 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.866 3.599 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 87 13.068 2.940 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.030 3.957 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.953 5.150 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.177 5.118 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.931 2.053 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.044 3.148 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.062 1.854 -1.206 1.00 0.00 H new ATOM 1195 N ARG A 88 14.746 5.457 -0.137 1.00 0.00 N ATOM 1196 CA ARG A 88 15.277 6.363 0.867 1.00 0.00 C ATOM 1197 C ARG A 88 16.209 7.382 0.219 1.00 0.00 C ATOM 1198 O ARG A 88 16.092 8.586 0.442 1.00 0.00 O ATOM 1199 CB ARG A 88 16.028 5.563 1.929 1.00 0.00 C ATOM 1200 CG ARG A 88 15.488 5.761 3.333 1.00 0.00 C ATOM 1201 CD ARG A 88 16.384 5.106 4.372 1.00 0.00 C ATOM 1202 NE ARG A 88 17.312 6.059 4.977 1.00 0.00 N ATOM 1203 CZ ARG A 88 16.981 6.895 5.959 1.00 0.00 C ATOM 1204 NH1 ARG A 88 15.746 6.904 6.446 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.887 7.726 6.454 1.00 0.00 N ATOM 0 H ARG A 88 14.952 4.474 0.039 1.00 0.00 H new ATOM 0 HA ARG A 88 14.453 6.899 1.337 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.979 4.504 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 88 17.080 5.847 1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.403 6.827 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.484 5.342 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.767 4.657 5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 88 16.948 4.298 3.906 1.00 0.00 H new ATOM 0 HE ARG A 88 18.270 6.085 4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.044 6.268 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.499 7.547 7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.837 7.725 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.634 8.367 7.206 1.00 0.00 H new ATOM 1219 N ARG A 89 17.132 6.882 -0.595 1.00 0.00 N ATOM 1220 CA ARG A 89 18.077 7.739 -1.292 1.00 0.00 C ATOM 1221 C ARG A 89 17.371 8.488 -2.422 1.00 0.00 C ATOM 1222 O ARG A 89 17.567 9.689 -2.606 1.00 0.00 O ATOM 1223 CB ARG A 89 19.261 6.900 -1.810 1.00 0.00 C ATOM 1224 CG ARG A 89 19.390 6.815 -3.326 1.00 0.00 C ATOM 1225 CD ARG A 89 18.581 5.657 -3.886 1.00 0.00 C ATOM 1226 NE ARG A 89 19.327 4.903 -4.891 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.452 5.282 -6.160 1.00 0.00 C ATOM 1228 NH1 ARG A 89 18.888 6.406 -6.584 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.146 4.535 -7.008 1.00 0.00 N ATOM 0 H ARG A 89 17.244 5.886 -0.787 1.00 0.00 H new ATOM 0 HA ARG A 89 18.474 8.484 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.184 7.318 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.169 5.889 -1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.051 7.749 -3.775 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.439 6.693 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.292 4.990 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.661 6.038 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 89 19.778 4.035 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.355 6.985 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.988 6.691 -7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.583 3.671 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.243 4.824 -7.981 1.00 0.00 H new ATOM 1243 N SER A 90 16.545 7.769 -3.172 1.00 0.00 N ATOM 1244 CA SER A 90 15.806 8.360 -4.281 1.00 0.00 C ATOM 1245 C SER A 90 14.843 9.437 -3.790 1.00 0.00 C ATOM 1246 O SER A 90 14.540 10.385 -4.510 1.00 0.00 O ATOM 1247 CB SER A 90 15.036 7.280 -5.043 1.00 0.00 C ATOM 1248 OG SER A 90 14.704 7.716 -6.350 1.00 0.00 O ATOM 0 H SER A 90 16.370 6.774 -3.032 1.00 0.00 H new ATOM 0 HA SER A 90 16.527 8.826 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.637 6.373 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.126 7.025 -4.499 1.00 0.00 H new ATOM 0 HG SER A 90 14.972 7.033 -7.000 1.00 0.00 H new ATOM 1254 N MET A 91 14.356 9.279 -2.564 1.00 0.00 N ATOM 1255 CA MET A 91 13.419 10.237 -1.985 1.00 0.00 C ATOM 1256 C MET A 91 14.144 11.355 -1.237 1.00 0.00 C ATOM 1257 O MET A 91 13.606 12.448 -1.070 1.00 0.00 O ATOM 1258 CB MET A 91 12.448 9.522 -1.042 1.00 0.00 C ATOM 1259 CG MET A 91 13.053 9.138 0.299 1.00 0.00 C ATOM 1260 SD MET A 91 12.045 7.958 1.221 1.00 0.00 S ATOM 1261 CE MET A 91 10.410 8.331 0.593 1.00 0.00 C ATOM 0 H MET A 91 14.594 8.498 -1.952 1.00 0.00 H new ATOM 0 HA MET A 91 12.862 10.690 -2.805 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.586 10.167 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.079 8.622 -1.533 1.00 0.00 H new ATOM 0 HG2 MET A 91 14.042 8.711 0.135 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.189 10.037 0.900 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.660 7.992 1.308 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.313 9.407 0.447 1.00 0.00 H new ATOM 0 HE3 MET A 91 10.261 7.821 -0.359 1.00 0.00 H new ATOM 1271 N SER A 92 15.353 11.067 -0.771 1.00 0.00 N ATOM 1272 CA SER A 92 16.133 12.047 -0.018 1.00 0.00 C ATOM 1273 C SER A 92 17.421 12.438 -0.742 1.00 0.00 C ATOM 1274 O SER A 92 18.427 12.745 -0.104 1.00 0.00 O ATOM 1275 CB SER A 92 16.469 11.492 1.367 1.00 0.00 C ATOM 1276 OG SER A 92 16.098 12.403 2.386 1.00 0.00 O ATOM 0 H SER A 92 15.815 10.167 -0.899 1.00 0.00 H new ATOM 0 HA SER A 92 15.523 12.945 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.953 10.544 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.538 11.287 1.430 1.00 0.00 H new ATOM 0 HG SER A 92 16.322 12.024 3.261 1.00 0.00 H new ATOM 1282 N THR A 93 17.393 12.430 -2.070 1.00 0.00 N ATOM 1283 CA THR A 93 18.574 12.792 -2.850 1.00 0.00 C ATOM 1284 C THR A 93 18.223 13.088 -4.308 1.00 0.00 C ATOM 1285 O THR A 93 18.855 13.931 -4.943 1.00 0.00 O ATOM 1286 CB THR A 93 19.621 11.673 -2.750 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.808 12.155 -2.147 1.00 0.00 O ATOM 1288 CG2 THR A 93 20.006 11.050 -4.078 1.00 0.00 C ATOM 0 H THR A 93 16.575 12.180 -2.626 1.00 0.00 H new ATOM 0 HA THR A 93 18.991 13.709 -2.434 1.00 0.00 H new ATOM 0 HB THR A 93 19.141 10.902 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.464 11.429 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.749 10.270 -3.912 1.00 0.00 H new ATOM 0 HG22 THR A 93 19.123 10.616 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.423 11.816 -4.732 1.00 0.00 H new ATOM 1296 N GLU A 94 17.224 12.389 -4.838 1.00 0.00 N ATOM 1297 CA GLU A 94 16.813 12.585 -6.222 1.00 0.00 C ATOM 1298 C GLU A 94 15.437 13.236 -6.306 1.00 0.00 C ATOM 1299 O GLU A 94 15.310 14.389 -6.712 1.00 0.00 O ATOM 1300 CB GLU A 94 16.810 11.248 -6.963 1.00 0.00 C ATOM 1301 CG GLU A 94 18.134 10.509 -6.877 1.00 0.00 C ATOM 1302 CD GLU A 94 18.426 9.686 -8.116 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.831 8.597 -8.260 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.248 10.132 -8.944 1.00 0.00 O ATOM 0 H GLU A 94 16.687 11.685 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 94 17.530 13.256 -6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.022 10.616 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.567 11.422 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.938 11.229 -6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.124 9.855 -6.005 1.00 0.00 H new ATOM 1311 N GLY A 95 14.412 12.493 -5.915 1.00 0.00 N ATOM 1312 CA GLY A 95 13.057 13.016 -5.952 1.00 0.00 C ATOM 1313 C GLY A 95 12.944 14.387 -5.315 1.00 0.00 C ATOM 1314 O GLY A 95 12.072 15.178 -5.674 1.00 0.00 O ATOM 0 H GLY A 95 14.492 11.536 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.721 13.072 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.390 12.324 -5.437 1.00 0.00 H new ATOM 1318 N ASN A 96 13.833 14.669 -4.368 1.00 0.00 N ATOM 1319 CA ASN A 96 13.835 15.952 -3.679 1.00 0.00 C ATOM 1320 C ASN A 96 14.435 17.039 -4.575 1.00 0.00 C ATOM 1321 O ASN A 96 14.025 18.198 -4.515 1.00 0.00 O ATOM 1322 CB ASN A 96 14.612 15.835 -2.359 1.00 0.00 C ATOM 1323 CG ASN A 96 15.231 17.147 -1.908 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.382 17.185 -1.473 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.469 18.226 -2.011 1.00 0.00 N ATOM 0 H ASN A 96 14.562 14.025 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 96 12.808 16.235 -3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 96 13.940 15.472 -1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.399 15.090 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.831 19.135 -1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.520 18.147 -2.377 1.00 0.00 H new ATOM 1332 N LYS A 97 15.404 16.650 -5.403 1.00 0.00 N ATOM 1333 CA LYS A 97 16.065 17.583 -6.319 1.00 0.00 C ATOM 1334 C LYS A 97 15.069 18.563 -6.928 1.00 0.00 C ATOM 1335 O LYS A 97 15.343 19.757 -7.044 1.00 0.00 O ATOM 1336 CB LYS A 97 16.786 16.819 -7.418 1.00 0.00 C ATOM 1337 CG LYS A 97 18.073 16.187 -6.936 1.00 0.00 C ATOM 1338 CD LYS A 97 18.773 15.451 -8.053 1.00 0.00 C ATOM 1339 CE LYS A 97 19.596 16.396 -8.908 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.679 15.684 -9.642 1.00 0.00 N ATOM 0 H LYS A 97 15.751 15.692 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 97 16.793 18.156 -5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.128 16.043 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.005 17.496 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.732 16.958 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.859 15.496 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.420 14.680 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.035 14.944 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.944 16.899 -9.622 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.034 17.169 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.217 16.366 -10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.316 15.225 -8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.261 14.964 -10.265 1.00 0.00 H new ATOM 1354 N ARG A 98 13.902 18.046 -7.299 1.00 0.00 N ATOM 1355 CA ARG A 98 12.849 18.872 -7.878 1.00 0.00 C ATOM 1356 C ARG A 98 11.866 19.301 -6.795 1.00 0.00 C ATOM 1357 O ARG A 98 11.220 20.344 -6.904 1.00 0.00 O ATOM 1358 CB ARG A 98 12.100 18.128 -8.997 1.00 0.00 C ATOM 1359 CG ARG A 98 12.638 16.738 -9.309 1.00 0.00 C ATOM 1360 CD ARG A 98 12.069 15.690 -8.366 1.00 0.00 C ATOM 1361 NE ARG A 98 11.318 14.662 -9.082 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.881 13.732 -9.850 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.200 13.692 -9.999 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.123 12.837 -10.470 1.00 0.00 N ATOM 0 H ARG A 98 13.662 17.059 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 98 13.319 19.754 -8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.050 18.042 -8.717 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.140 18.730 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.391 16.475 -10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.725 16.743 -9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.882 15.224 -7.809 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.418 16.173 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 98 10.302 14.656 -8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.788 14.377 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.625 12.977 -10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.109 12.862 -10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.554 12.124 -11.059 1.00 0.00 H new ATOM 1378 N GLY A 99 11.760 18.488 -5.746 1.00 0.00 N ATOM 1379 CA GLY A 99 10.856 18.795 -4.655 1.00 0.00 C ATOM 1380 C GLY A 99 9.808 17.720 -4.437 1.00 0.00 C ATOM 1381 O GLY A 99 9.006 17.814 -3.508 1.00 0.00 O ATOM 0 H GLY A 99 12.286 17.621 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.432 18.925 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.359 19.744 -4.857 1.00 0.00 H new ATOM 1385 N MET A 100 9.805 16.699 -5.295 1.00 0.00 N ATOM 1386 CA MET A 100 8.838 15.614 -5.186 1.00 0.00 C ATOM 1387 C MET A 100 9.377 14.324 -5.797 1.00 0.00 C ATOM 1388 O MET A 100 10.043 14.345 -6.833 1.00 0.00 O ATOM 1389 CB MET A 100 7.541 16.007 -5.888 1.00 0.00 C ATOM 1390 CG MET A 100 7.718 16.238 -7.380 1.00 0.00 C ATOM 1391 SD MET A 100 6.564 15.283 -8.380 1.00 0.00 S ATOM 1392 CE MET A 100 7.327 13.665 -8.310 1.00 0.00 C ATOM 0 H MET A 100 10.461 16.604 -6.070 1.00 0.00 H new ATOM 0 HA MET A 100 8.649 15.437 -4.127 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.799 15.224 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.147 16.914 -5.430 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.587 17.298 -7.596 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.738 15.978 -7.664 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.848 13.005 -9.034 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.388 13.752 -8.545 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.210 13.251 -7.309 1.00 0.00 H new ATOM 1402 N ILE A 101 9.080 13.202 -5.150 1.00 0.00 N ATOM 1403 CA ILE A 101 9.526 11.900 -5.623 1.00 0.00 C ATOM 1404 C ILE A 101 8.350 11.072 -6.141 1.00 0.00 C ATOM 1405 O ILE A 101 7.264 11.091 -5.565 1.00 0.00 O ATOM 1406 CB ILE A 101 10.266 11.115 -4.505 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.579 9.776 -4.213 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.371 11.945 -3.233 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.219 9.001 -3.084 1.00 0.00 C ATOM 0 H ILE A 101 8.529 13.170 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 101 10.222 12.077 -6.443 1.00 0.00 H new ATOM 0 HB ILE A 101 11.273 10.907 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.533 9.960 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.593 9.165 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.893 11.372 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.924 12.861 -3.441 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.371 12.197 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.680 8.065 -2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.258 8.786 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.181 9.592 -2.169 1.00 0.00 H new ATOM 1421 N GLN A 102 8.583 10.331 -7.222 1.00 0.00 N ATOM 1422 CA GLN A 102 7.549 9.481 -7.797 1.00 0.00 C ATOM 1423 C GLN A 102 7.389 8.224 -6.949 1.00 0.00 C ATOM 1424 O GLN A 102 8.342 7.779 -6.311 1.00 0.00 O ATOM 1425 CB GLN A 102 7.902 9.105 -9.239 1.00 0.00 C ATOM 1426 CG GLN A 102 6.746 8.481 -10.005 1.00 0.00 C ATOM 1427 CD GLN A 102 7.173 7.302 -10.857 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.784 7.192 -12.021 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.974 6.411 -10.285 1.00 0.00 N ATOM 0 H GLN A 102 9.476 10.303 -7.714 1.00 0.00 H new ATOM 0 HA GLN A 102 6.607 10.030 -7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.237 9.998 -9.767 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.739 8.407 -9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.982 8.155 -9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.289 9.237 -10.643 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.273 6.540 -9.318 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.291 5.597 -10.812 1.00 0.00 H new ATOM 1438 N LEU A 103 6.188 7.660 -6.923 1.00 0.00 N ATOM 1439 CA LEU A 103 5.941 6.467 -6.120 1.00 0.00 C ATOM 1440 C LEU A 103 4.962 5.512 -6.793 1.00 0.00 C ATOM 1441 O LEU A 103 3.772 5.801 -6.907 1.00 0.00 O ATOM 1442 CB LEU A 103 5.402 6.868 -4.747 1.00 0.00 C ATOM 1443 CG LEU A 103 6.459 7.009 -3.652 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.178 8.231 -2.796 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.512 5.753 -2.800 1.00 0.00 C ATOM 0 H LEU A 103 5.379 8.003 -7.441 1.00 0.00 H new ATOM 0 HA LEU A 103 6.892 5.945 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.873 7.816 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.670 6.125 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 103 7.432 7.141 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.940 8.316 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.194 9.124 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.197 8.131 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.270 5.871 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.540 5.588 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.764 4.898 -3.427 1.00 0.00 H new ATOM 1457 N ILE A 104 5.467 4.356 -7.204 1.00 0.00 N ATOM 1458 CA ILE A 104 4.632 3.339 -7.829 1.00 0.00 C ATOM 1459 C ILE A 104 4.349 2.229 -6.825 1.00 0.00 C ATOM 1460 O ILE A 104 5.258 1.511 -6.410 1.00 0.00 O ATOM 1461 CB ILE A 104 5.306 2.739 -9.081 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.599 3.837 -10.102 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.424 1.659 -9.696 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.520 3.393 -11.220 1.00 0.00 C ATOM 0 H ILE A 104 6.450 4.099 -7.116 1.00 0.00 H new ATOM 0 HA ILE A 104 3.701 3.813 -8.142 1.00 0.00 H new ATOM 0 HB ILE A 104 6.250 2.282 -8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.659 4.182 -10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.047 4.688 -9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.915 1.247 -10.578 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.260 0.865 -8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.466 2.092 -9.983 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.684 4.223 -11.907 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.474 3.075 -10.800 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.065 2.561 -11.758 1.00 0.00 H new ATOM 1476 N VAL A 105 3.090 2.100 -6.424 1.00 0.00 N ATOM 1477 CA VAL A 105 2.706 1.086 -5.452 1.00 0.00 C ATOM 1478 C VAL A 105 1.657 0.134 -6.020 1.00 0.00 C ATOM 1479 O VAL A 105 1.172 0.322 -7.135 1.00 0.00 O ATOM 1480 CB VAL A 105 2.164 1.733 -4.159 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.177 2.716 -3.596 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.828 2.422 -4.415 1.00 0.00 C ATOM 0 H VAL A 105 2.321 2.683 -6.756 1.00 0.00 H new ATOM 0 HA VAL A 105 3.605 0.516 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 105 2.000 0.945 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.781 3.164 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.105 2.192 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.372 3.498 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.466 2.870 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.958 3.199 -5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.103 1.690 -4.771 1.00 0.00 H new ATOM 1492 N ALA A 106 1.316 -0.891 -5.245 1.00 0.00 N ATOM 1493 CA ALA A 106 0.328 -1.873 -5.671 1.00 0.00 C ATOM 1494 C ALA A 106 -0.464 -2.409 -4.484 1.00 0.00 C ATOM 1495 O ALA A 106 0.080 -2.606 -3.397 1.00 0.00 O ATOM 1496 CB ALA A 106 1.005 -3.014 -6.414 1.00 0.00 C ATOM 0 H ALA A 106 1.710 -1.062 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.371 -1.378 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.255 -3.740 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.519 -2.622 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.727 -3.498 -5.757 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.754 -2.647 -4.699 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.626 -3.165 -3.649 1.00 0.00 C ATOM 1504 C ARG A 107 -3.869 -3.814 -4.249 1.00 0.00 C ATOM 1505 O ARG A 107 -4.023 -3.870 -5.469 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.033 -2.053 -2.679 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.125 -0.677 -3.319 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.352 -0.556 -4.208 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.575 -0.364 -3.433 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.713 0.096 -3.946 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.791 0.410 -5.234 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.779 0.243 -3.170 1.00 0.00 N ATOM 0 H ARG A 107 -2.220 -2.489 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.068 -3.921 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.999 -2.303 -2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.312 -2.015 -1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.162 0.085 -2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.228 -0.488 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.222 0.282 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.447 -1.454 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.555 -0.596 -2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.975 0.299 -5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.667 0.762 -5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.726 0.003 -2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.651 0.596 -3.563 1.00 0.00 H new ATOM 1683 N ILE B 10 11.193 -1.295 10.532 1.00 0.00 N ATOM 1684 CA ILE B 10 10.521 -0.150 9.939 1.00 0.00 C ATOM 1685 C ILE B 10 11.493 0.993 9.695 1.00 0.00 C ATOM 1686 O ILE B 10 12.119 1.507 10.623 1.00 0.00 O ATOM 1687 CB ILE B 10 9.355 0.360 10.810 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.741 -0.788 11.615 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.305 1.022 9.933 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.910 -1.744 10.786 1.00 0.00 C ATOM 0 HA ILE B 10 10.116 -0.496 8.988 1.00 0.00 H new ATOM 0 HB ILE B 10 9.739 1.098 11.514 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.541 -1.346 12.102 1.00 0.00 H new ATOM 0 HG13 ILE B 10 8.117 -0.371 12.405 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.484 1.380 10.555 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.752 1.863 9.403 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.925 0.299 9.212 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.510 -2.529 11.428 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.087 -1.201 10.320 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.534 -2.191 10.012 1.00 0.00 H new ATOM 1702 N THR B 11 11.607 1.382 8.436 1.00 0.00 N ATOM 1703 CA THR B 11 12.497 2.464 8.040 1.00 0.00 C ATOM 1704 C THR B 11 11.739 3.787 7.973 1.00 0.00 C ATOM 1705 O THR B 11 10.908 3.996 7.089 1.00 0.00 O ATOM 1706 CB THR B 11 13.138 2.148 6.686 1.00 0.00 C ATOM 1707 OG1 THR B 11 14.034 1.057 6.802 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.906 3.308 6.091 1.00 0.00 C ATOM 0 H THR B 11 11.090 0.961 7.664 1.00 0.00 H new ATOM 0 HA THR B 11 13.283 2.558 8.789 1.00 0.00 H new ATOM 0 HB THR B 11 12.304 1.914 6.024 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.711 0.309 6.257 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.332 3.009 5.133 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.233 4.152 5.942 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.708 3.599 6.769 1.00 0.00 H new ATOM 1716 N LYS B 12 12.029 4.677 8.918 1.00 0.00 N ATOM 1717 CA LYS B 12 11.374 5.977 8.970 1.00 0.00 C ATOM 1718 C LYS B 12 11.844 6.874 7.831 1.00 0.00 C ATOM 1719 O LYS B 12 13.043 7.082 7.643 1.00 0.00 O ATOM 1720 CB LYS B 12 11.645 6.657 10.314 1.00 0.00 C ATOM 1721 CG LYS B 12 10.953 8.001 10.467 1.00 0.00 C ATOM 1722 CD LYS B 12 9.609 7.857 11.165 1.00 0.00 C ATOM 1723 CE LYS B 12 9.777 7.644 12.661 1.00 0.00 C ATOM 1724 NZ LYS B 12 8.469 7.452 13.345 1.00 0.00 N ATOM 0 H LYS B 12 12.714 4.520 9.658 1.00 0.00 H new ATOM 0 HA LYS B 12 10.301 5.816 8.861 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.319 5.997 11.118 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.720 6.796 10.431 1.00 0.00 H new ATOM 0 HG2 LYS B 12 11.590 8.677 11.037 1.00 0.00 H new ATOM 0 HG3 LYS B 12 10.808 8.451 9.485 1.00 0.00 H new ATOM 0 HD2 LYS B 12 9.009 8.750 10.989 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.063 7.017 10.736 1.00 0.00 H new ATOM 0 HE2 LYS B 12 10.409 6.773 12.835 1.00 0.00 H new ATOM 0 HE3 LYS B 12 10.291 8.502 13.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 8.627 7.310 14.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 7.875 8.293 13.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 7.990 6.618 12.950 1.00 0.00 H new ATOM 1738 N VAL B 13 10.890 7.405 7.074 1.00 0.00 N ATOM 1739 CA VAL B 13 11.198 8.286 5.954 1.00 0.00 C ATOM 1740 C VAL B 13 10.053 9.261 5.699 1.00 0.00 C ATOM 1741 O VAL B 13 9.369 9.121 4.663 1.00 0.00 O ATOM 1742 CB VAL B 13 11.476 7.486 4.665 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.861 6.861 4.711 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.407 6.424 4.453 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.846 10.159 6.542 1.00 0.00 O ATOM 0 H VAL B 13 9.894 7.240 7.217 1.00 0.00 H new ATOM 0 HA VAL B 13 12.096 8.842 6.224 1.00 0.00 H new ATOM 0 HB VAL B 13 11.443 8.173 3.819 1.00 0.00 H new ATOM 0 HG11 VAL B 13 13.038 6.301 3.793 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.611 7.646 4.808 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.928 6.188 5.565 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.621 5.870 3.539 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.403 5.738 5.300 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.431 6.902 4.368 1.00 0.00 H new