USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 988 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 HIS : no HD1:sc= 0.016 K(o=0.55,f=-5.4!) USER MOD Set 1.3: A 40 SER OG : rot 104:sc= 0.535 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0759 (180deg=-0.497) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.33 (180deg=0.72) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= 1.13 (180deg=0.945) USER MOD Single : A 10 SER OG : rot -50:sc= 1.26 USER MOD Single : A 13 TYR OH : rot 175:sc= 0.00419 USER MOD Single : A 14 GLN : amide:sc= 1.19 K(o=1.2,f=-0.23) USER MOD Single : A 17 THR OG1 : rot 124:sc= 1.07 USER MOD Single : A 26 SER OG : rot 117:sc= 1.31 USER MOD Single : A 29 SER OG : rot 180:sc= -0.807 USER MOD Single : A 38 HIS : no HD1:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 83:sc= 0.901 USER MOD Single : A 52 HIS : no HE2:sc= -2.69 X(o=-2.7,f=-2.4) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00185 K(o=-0.0018,f=0.51) USER MOD Single : A 77 GLN : amide:sc= -0.496 X(o=-0.5,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -156:sc= -0.157 (180deg=-0.72) USER MOD Single : A 91 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.046) USER MOD Single : A 94 MET CE :methyl -139:sc= -0.081 (180deg=-2.35!) USER MOD Single : A 100 THR OG1 : rot -23:sc= 1.43 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 110 THR OG1 : rot -147:sc= 1.18 USER MOD Single : A 116 HIS : no HE2:sc= -3.08! C(o=-3.1!,f=-3.8!) USER MOD Single : A 131 LYS NZ :NH3+ -147:sc= -0.114 (180deg=-1.33!) USER MOD Single : A 133 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.0017) USER MOD Single : A 143 THR OG1 : rot -80:sc= 0.374 USER MOD Single : A 149 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.24) USER MOD Single : A 151 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.701 -19.744 7.048 1.00 0.00 N ATOM 2 CA MET A 1 11.257 -19.712 5.636 1.00 0.00 C ATOM 3 C MET A 1 11.218 -18.277 5.133 1.00 0.00 C ATOM 4 O MET A 1 10.991 -17.348 5.905 1.00 0.00 O ATOM 5 CB MET A 1 9.864 -20.339 5.481 1.00 0.00 C ATOM 6 CG MET A 1 8.729 -19.447 5.972 1.00 0.00 C ATOM 7 SD MET A 1 8.778 -19.164 7.753 1.00 0.00 S ATOM 8 CE MET A 1 7.663 -17.770 7.903 1.00 0.00 C ATOM 0 H1 MET A 1 12.016 -20.705 7.291 1.00 0.00 H new ATOM 0 H2 MET A 1 12.488 -19.078 7.179 1.00 0.00 H new ATOM 0 H3 MET A 1 10.910 -19.472 7.667 1.00 0.00 H new ATOM 0 HA MET A 1 11.970 -20.290 5.048 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.698 -20.577 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.837 -21.281 6.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.778 -18.488 5.456 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.775 -19.903 5.708 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.836 -17.266 8.854 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.841 -17.072 7.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.632 -18.122 7.862 1.00 0.00 H new ATOM 20 N LYS A 2 11.435 -18.104 3.843 1.00 0.00 N ATOM 21 CA LYS A 2 11.304 -16.801 3.211 1.00 0.00 C ATOM 22 C LYS A 2 10.423 -16.920 1.981 1.00 0.00 C ATOM 23 O LYS A 2 9.955 -18.007 1.646 1.00 0.00 O ATOM 24 CB LYS A 2 12.670 -16.232 2.821 1.00 0.00 C ATOM 25 CG LYS A 2 13.493 -17.163 1.949 1.00 0.00 C ATOM 26 CD LYS A 2 14.740 -16.481 1.413 1.00 0.00 C ATOM 27 CE LYS A 2 15.583 -15.932 2.543 1.00 0.00 C ATOM 28 NZ LYS A 2 16.966 -15.604 2.110 1.00 0.00 N ATOM 0 H LYS A 2 11.705 -18.854 3.207 1.00 0.00 H new ATOM 0 HA LYS A 2 10.848 -16.117 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.524 -15.289 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.232 -16.006 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.779 -18.042 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.884 -17.513 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.325 -17.191 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.456 -15.672 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.109 -15.036 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.622 -16.662 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.504 -15.232 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.430 -16.463 1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.933 -14.888 1.357 1.00 0.00 H new ATOM 42 N VAL A 3 10.209 -15.807 1.313 1.00 0.00 N ATOM 43 CA VAL A 3 9.339 -15.772 0.149 1.00 0.00 C ATOM 44 C VAL A 3 10.090 -16.155 -1.125 1.00 0.00 C ATOM 45 O VAL A 3 11.024 -15.470 -1.551 1.00 0.00 O ATOM 46 CB VAL A 3 8.696 -14.382 -0.013 1.00 0.00 C ATOM 47 CG1 VAL A 3 9.729 -13.301 0.223 1.00 0.00 C ATOM 48 CG2 VAL A 3 8.080 -14.217 -1.393 1.00 0.00 C ATOM 0 H VAL A 3 10.626 -14.908 1.555 1.00 0.00 H new ATOM 0 HA VAL A 3 8.551 -16.507 0.311 1.00 0.00 H new ATOM 0 HB VAL A 3 7.901 -14.291 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.264 -12.322 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.129 -13.394 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.538 -13.407 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.634 -13.226 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.853 -14.332 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.310 -14.975 -1.541 1.00 0.00 H new ATOM 58 N ALA A 4 9.673 -17.260 -1.714 1.00 0.00 N ATOM 59 CA ALA A 4 10.201 -17.715 -2.986 1.00 0.00 C ATOM 60 C ALA A 4 9.120 -18.479 -3.727 1.00 0.00 C ATOM 61 O ALA A 4 7.949 -18.423 -3.347 1.00 0.00 O ATOM 62 CB ALA A 4 11.437 -18.579 -2.779 1.00 0.00 C ATOM 0 H ALA A 4 8.955 -17.870 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 4 10.502 -16.854 -3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.816 -18.909 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.205 -17.999 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.176 -19.448 -2.175 1.00 0.00 H new ATOM 68 N LYS A 5 9.503 -19.176 -4.776 1.00 0.00 N ATOM 69 CA LYS A 5 8.563 -19.931 -5.580 1.00 0.00 C ATOM 70 C LYS A 5 7.881 -21.018 -4.739 1.00 0.00 C ATOM 71 O LYS A 5 8.448 -21.478 -3.748 1.00 0.00 O ATOM 72 CB LYS A 5 9.313 -20.532 -6.765 1.00 0.00 C ATOM 73 CG LYS A 5 8.425 -21.274 -7.737 1.00 0.00 C ATOM 74 CD LYS A 5 9.239 -21.985 -8.797 1.00 0.00 C ATOM 75 CE LYS A 5 8.609 -23.311 -9.173 1.00 0.00 C ATOM 76 NZ LYS A 5 8.756 -24.314 -8.082 1.00 0.00 N ATOM 0 H LYS A 5 10.470 -19.236 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 5 7.776 -19.273 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.831 -19.734 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.076 -21.214 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.817 -21.999 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.738 -20.574 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.320 -21.354 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.252 -22.151 -8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.552 -23.163 -9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.074 -23.691 -10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.935 -24.953 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.625 -24.866 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.811 -23.825 -7.166 1.00 0.00 H new ATOM 90 N ASP A 6 6.657 -21.401 -5.145 1.00 0.00 N ATOM 91 CA ASP A 6 5.787 -22.363 -4.435 1.00 0.00 C ATOM 92 C ASP A 6 5.597 -22.067 -2.936 1.00 0.00 C ATOM 93 O ASP A 6 4.949 -22.835 -2.219 1.00 0.00 O ATOM 94 CB ASP A 6 6.205 -23.833 -4.681 1.00 0.00 C ATOM 95 CG ASP A 6 7.679 -24.134 -4.489 1.00 0.00 C ATOM 96 OD1 ASP A 6 8.456 -23.941 -5.451 1.00 0.00 O ATOM 97 OD2 ASP A 6 8.063 -24.606 -3.398 1.00 0.00 O ATOM 0 H ASP A 6 6.232 -21.041 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 6 4.803 -22.220 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.631 -24.473 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.926 -24.106 -5.699 1.00 0.00 H new ATOM 102 N LEU A 7 6.152 -20.963 -2.470 1.00 0.00 N ATOM 103 CA LEU A 7 5.876 -20.467 -1.133 1.00 0.00 C ATOM 104 C LEU A 7 4.747 -19.446 -1.146 1.00 0.00 C ATOM 105 O LEU A 7 4.943 -18.278 -1.490 1.00 0.00 O ATOM 106 CB LEU A 7 7.143 -19.880 -0.527 1.00 0.00 C ATOM 107 CG LEU A 7 8.017 -20.906 0.186 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.483 -20.626 -0.037 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.706 -20.904 1.668 1.00 0.00 C ATOM 0 H LEU A 7 6.803 -20.387 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 7 5.548 -21.302 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.726 -19.406 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.868 -19.097 0.180 1.00 0.00 H new ATOM 0 HG LEU A 7 7.796 -21.889 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.080 -21.375 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.703 -20.665 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.727 -19.636 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.333 -21.639 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.904 -19.914 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.657 -21.157 1.820 1.00 0.00 H new ATOM 121 N VAL A 8 3.555 -19.923 -0.816 1.00 0.00 N ATOM 122 CA VAL A 8 2.385 -19.069 -0.657 1.00 0.00 C ATOM 123 C VAL A 8 2.573 -18.081 0.499 1.00 0.00 C ATOM 124 O VAL A 8 3.189 -18.391 1.516 1.00 0.00 O ATOM 125 CB VAL A 8 1.101 -19.914 -0.437 1.00 0.00 C ATOM 126 CG1 VAL A 8 1.215 -20.782 0.806 1.00 0.00 C ATOM 127 CG2 VAL A 8 -0.132 -19.027 -0.352 1.00 0.00 C ATOM 0 H VAL A 8 3.371 -20.913 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 8 2.269 -18.500 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 8 0.993 -20.570 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.300 -21.361 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.061 -21.460 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.366 -20.148 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.016 -19.646 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.025 -18.334 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.240 -18.465 -1.279 1.00 0.00 H new ATOM 137 N VAL A 9 2.035 -16.889 0.328 1.00 0.00 N ATOM 138 CA VAL A 9 2.192 -15.845 1.336 1.00 0.00 C ATOM 139 C VAL A 9 0.983 -14.920 1.365 1.00 0.00 C ATOM 140 O VAL A 9 0.276 -14.751 0.366 1.00 0.00 O ATOM 141 CB VAL A 9 3.480 -14.984 1.146 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.688 -15.818 0.743 1.00 0.00 C ATOM 143 CG2 VAL A 9 3.257 -13.863 0.156 1.00 0.00 C ATOM 0 H VAL A 9 1.489 -16.616 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 9 2.283 -16.375 2.284 1.00 0.00 H new ATOM 0 HB VAL A 9 3.699 -14.547 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.555 -15.169 0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.892 -16.559 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.482 -16.324 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.175 -13.284 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.977 -14.282 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.459 -13.214 0.515 1.00 0.00 H new ATOM 153 N SER A 10 0.752 -14.350 2.533 1.00 0.00 N ATOM 154 CA SER A 10 -0.231 -13.308 2.711 1.00 0.00 C ATOM 155 C SER A 10 0.517 -11.991 2.803 1.00 0.00 C ATOM 156 O SER A 10 1.350 -11.807 3.690 1.00 0.00 O ATOM 157 CB SER A 10 -1.046 -13.559 3.982 1.00 0.00 C ATOM 158 OG SER A 10 -1.628 -14.852 3.967 1.00 0.00 O ATOM 0 H SER A 10 1.247 -14.602 3.389 1.00 0.00 H new ATOM 0 HA SER A 10 -0.930 -13.289 1.875 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.403 -13.456 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.828 -12.805 4.071 1.00 0.00 H new ATOM 0 HG SER A 10 -2.088 -14.994 3.114 1.00 0.00 H new ATOM 164 N LEU A 11 0.268 -11.102 1.871 1.00 0.00 N ATOM 165 CA LEU A 11 1.046 -9.888 1.778 1.00 0.00 C ATOM 166 C LEU A 11 0.133 -8.680 1.613 1.00 0.00 C ATOM 167 O LEU A 11 -0.921 -8.777 1.005 1.00 0.00 O ATOM 168 CB LEU A 11 2.022 -10.033 0.603 1.00 0.00 C ATOM 169 CG LEU A 11 3.008 -8.889 0.388 1.00 0.00 C ATOM 170 CD1 LEU A 11 4.324 -9.431 -0.141 1.00 0.00 C ATOM 171 CD2 LEU A 11 2.438 -7.871 -0.587 1.00 0.00 C ATOM 0 H LEU A 11 -0.465 -11.195 1.168 1.00 0.00 H new ATOM 0 HA LEU A 11 1.614 -9.728 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.592 -10.951 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.440 -10.157 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 11 3.182 -8.396 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.022 -8.608 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.743 -10.135 0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.153 -9.940 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.155 -7.062 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.242 -8.354 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.508 -7.466 -0.188 1.00 0.00 H new ATOM 183 N ALA A 12 0.543 -7.547 2.147 1.00 0.00 N ATOM 184 CA ALA A 12 -0.236 -6.334 2.053 1.00 0.00 C ATOM 185 C ALA A 12 0.602 -5.301 1.325 1.00 0.00 C ATOM 186 O ALA A 12 1.829 -5.367 1.364 1.00 0.00 O ATOM 187 CB ALA A 12 -0.631 -5.845 3.441 1.00 0.00 C ATOM 0 H ALA A 12 1.421 -7.444 2.655 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.160 -6.514 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.217 -4.930 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.226 -6.610 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.267 -5.644 4.025 1.00 0.00 H new ATOM 193 N TYR A 13 -0.031 -4.366 0.648 1.00 0.00 N ATOM 194 CA TYR A 13 0.717 -3.382 -0.117 1.00 0.00 C ATOM 195 C TYR A 13 -0.135 -2.178 -0.437 1.00 0.00 C ATOM 196 O TYR A 13 -1.360 -2.258 -0.452 1.00 0.00 O ATOM 197 CB TYR A 13 1.263 -3.982 -1.427 1.00 0.00 C ATOM 198 CG TYR A 13 0.204 -4.384 -2.439 1.00 0.00 C ATOM 199 CD1 TYR A 13 -0.372 -5.650 -2.404 1.00 0.00 C ATOM 200 CD2 TYR A 13 -0.207 -3.508 -3.445 1.00 0.00 C ATOM 201 CE1 TYR A 13 -1.325 -6.028 -3.331 1.00 0.00 C ATOM 202 CE2 TYR A 13 -1.155 -3.883 -4.375 1.00 0.00 C ATOM 203 CZ TYR A 13 -1.712 -5.140 -4.314 1.00 0.00 C ATOM 204 OH TYR A 13 -2.649 -5.515 -5.248 1.00 0.00 O ATOM 0 H TYR A 13 -1.045 -4.264 0.609 1.00 0.00 H new ATOM 0 HA TYR A 13 1.557 -3.071 0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.931 -3.256 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.864 -4.858 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.069 -6.350 -1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.225 -2.519 -3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.765 -7.013 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.459 -3.193 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.864 -4.750 -5.821 1.00 0.00 H new ATOM 214 N GLN A 14 0.524 -1.071 -0.700 1.00 0.00 N ATOM 215 CA GLN A 14 -0.154 0.110 -1.176 1.00 0.00 C ATOM 216 C GLN A 14 0.575 0.654 -2.393 1.00 0.00 C ATOM 217 O GLN A 14 1.771 0.938 -2.340 1.00 0.00 O ATOM 218 CB GLN A 14 -0.255 1.190 -0.101 1.00 0.00 C ATOM 219 CG GLN A 14 -1.172 2.316 -0.534 1.00 0.00 C ATOM 220 CD GLN A 14 -1.211 3.485 0.422 1.00 0.00 C ATOM 221 OE1 GLN A 14 -0.378 4.388 0.355 1.00 0.00 O ATOM 222 NE2 GLN A 14 -2.217 3.502 1.278 1.00 0.00 N ATOM 0 H GLN A 14 1.533 -0.966 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.172 -0.174 -1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.627 0.751 0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.737 1.588 0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.854 2.673 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.182 1.923 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.884 2.730 1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.327 4.287 1.920 1.00 0.00 H new ATOM 231 N VAL A 15 -0.151 0.769 -3.482 1.00 0.00 N ATOM 232 CA VAL A 15 0.398 1.232 -4.743 1.00 0.00 C ATOM 233 C VAL A 15 -0.014 2.669 -5.009 1.00 0.00 C ATOM 234 O VAL A 15 -1.207 2.974 -5.101 1.00 0.00 O ATOM 235 CB VAL A 15 -0.114 0.359 -5.897 1.00 0.00 C ATOM 236 CG1 VAL A 15 0.540 0.724 -7.208 1.00 0.00 C ATOM 237 CG2 VAL A 15 0.074 -1.100 -5.590 1.00 0.00 C ATOM 0 H VAL A 15 -1.145 0.543 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 15 1.484 1.167 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.182 0.551 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.151 0.084 -7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.324 1.766 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.618 0.587 -7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.297 -1.698 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.133 -1.306 -5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.478 -1.356 -4.686 1.00 0.00 H new ATOM 247 N ARG A 16 0.962 3.551 -5.129 1.00 0.00 N ATOM 248 CA ARG A 16 0.675 4.938 -5.446 1.00 0.00 C ATOM 249 C ARG A 16 1.686 5.483 -6.442 1.00 0.00 C ATOM 250 O ARG A 16 2.802 4.977 -6.558 1.00 0.00 O ATOM 251 CB ARG A 16 0.663 5.788 -4.172 1.00 0.00 C ATOM 252 CG ARG A 16 2.031 6.046 -3.566 1.00 0.00 C ATOM 253 CD ARG A 16 1.892 6.509 -2.128 1.00 0.00 C ATOM 254 NE ARG A 16 3.172 6.883 -1.526 1.00 0.00 N ATOM 255 CZ ARG A 16 3.289 7.416 -0.307 1.00 0.00 C ATOM 256 NH1 ARG A 16 2.213 7.599 0.452 1.00 0.00 N ATOM 257 NH2 ARG A 16 4.481 7.758 0.160 1.00 0.00 N ATOM 0 H ARG A 16 1.952 3.334 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.313 4.987 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.194 6.746 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.039 5.293 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.631 5.137 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.558 6.801 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.215 7.362 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.437 5.714 -1.538 1.00 0.00 H new ATOM 0 HE ARG A 16 4.022 6.728 -2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.292 7.332 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.308 8.006 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.313 7.614 -0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.566 8.165 1.091 1.00 0.00 H new ATOM 271 N THR A 17 1.279 6.502 -7.176 1.00 0.00 N ATOM 272 CA THR A 17 2.154 7.147 -8.136 1.00 0.00 C ATOM 273 C THR A 17 3.129 8.085 -7.441 1.00 0.00 C ATOM 274 O THR A 17 3.112 8.217 -6.213 1.00 0.00 O ATOM 275 CB THR A 17 1.359 7.954 -9.181 1.00 0.00 C ATOM 276 OG1 THR A 17 0.451 8.841 -8.520 1.00 0.00 O ATOM 277 CG2 THR A 17 0.596 7.039 -10.123 1.00 0.00 C ATOM 0 H THR A 17 0.342 6.902 -7.125 1.00 0.00 H new ATOM 0 HA THR A 17 2.701 6.351 -8.641 1.00 0.00 H new ATOM 0 HB THR A 17 2.068 8.532 -9.774 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.617 9.760 -8.816 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.046 7.640 -10.847 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.297 6.390 -10.647 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.104 6.430 -9.551 1.00 0.00 H new ATOM 285 N GLU A 18 3.979 8.724 -8.228 1.00 0.00 N ATOM 286 CA GLU A 18 4.861 9.775 -7.736 1.00 0.00 C ATOM 287 C GLU A 18 4.064 10.827 -6.966 1.00 0.00 C ATOM 288 O GLU A 18 4.557 11.413 -6.003 1.00 0.00 O ATOM 289 CB GLU A 18 5.580 10.435 -8.915 1.00 0.00 C ATOM 290 CG GLU A 18 6.593 9.536 -9.594 1.00 0.00 C ATOM 291 CD GLU A 18 7.929 9.523 -8.878 1.00 0.00 C ATOM 292 OE1 GLU A 18 7.961 9.199 -7.675 1.00 0.00 O ATOM 293 OE2 GLU A 18 8.946 9.867 -9.514 1.00 0.00 O ATOM 0 H GLU A 18 4.079 8.531 -9.225 1.00 0.00 H new ATOM 0 HA GLU A 18 5.594 9.330 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.839 10.752 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.085 11.335 -8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.199 8.521 -9.641 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.738 9.869 -10.622 1.00 0.00 H new ATOM 300 N ASP A 19 2.815 11.027 -7.382 1.00 0.00 N ATOM 301 CA ASP A 19 1.949 12.044 -6.795 1.00 0.00 C ATOM 302 C ASP A 19 1.547 11.670 -5.373 1.00 0.00 C ATOM 303 O ASP A 19 1.123 12.522 -4.592 1.00 0.00 O ATOM 304 CB ASP A 19 0.678 12.206 -7.633 1.00 0.00 C ATOM 305 CG ASP A 19 0.957 12.278 -9.119 1.00 0.00 C ATOM 306 OD1 ASP A 19 1.205 13.387 -9.633 1.00 0.00 O ATOM 307 OD2 ASP A 19 0.935 11.217 -9.779 1.00 0.00 O ATOM 0 H ASP A 19 2.378 10.491 -8.132 1.00 0.00 H new ATOM 0 HA ASP A 19 2.508 12.979 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.009 11.369 -7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.157 13.111 -7.322 1.00 0.00 H new ATOM 312 N GLY A 20 1.683 10.391 -5.043 1.00 0.00 N ATOM 313 CA GLY A 20 1.302 9.918 -3.727 1.00 0.00 C ATOM 314 C GLY A 20 -0.144 9.462 -3.669 1.00 0.00 C ATOM 315 O GLY A 20 -0.603 8.976 -2.636 1.00 0.00 O ATOM 0 H GLY A 20 2.051 9.672 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.952 9.092 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.458 10.714 -2.999 1.00 0.00 H new ATOM 319 N VAL A 21 -0.855 9.604 -4.781 1.00 0.00 N ATOM 320 CA VAL A 21 -2.263 9.227 -4.843 1.00 0.00 C ATOM 321 C VAL A 21 -2.405 7.713 -5.019 1.00 0.00 C ATOM 322 O VAL A 21 -1.679 7.089 -5.798 1.00 0.00 O ATOM 323 CB VAL A 21 -3.011 9.978 -5.974 1.00 0.00 C ATOM 324 CG1 VAL A 21 -2.423 9.659 -7.340 1.00 0.00 C ATOM 325 CG2 VAL A 21 -4.502 9.666 -5.939 1.00 0.00 C ATOM 0 H VAL A 21 -0.480 9.978 -5.653 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.722 9.517 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.881 11.046 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.972 10.203 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.375 9.957 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.500 8.588 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.005 10.204 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.653 8.595 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.916 9.976 -4.979 1.00 0.00 H new ATOM 335 N LEU A 22 -3.325 7.133 -4.264 1.00 0.00 N ATOM 336 CA LEU A 22 -3.524 5.693 -4.240 1.00 0.00 C ATOM 337 C LEU A 22 -4.187 5.194 -5.517 1.00 0.00 C ATOM 338 O LEU A 22 -5.193 5.745 -5.965 1.00 0.00 O ATOM 339 CB LEU A 22 -4.390 5.312 -3.037 1.00 0.00 C ATOM 340 CG LEU A 22 -4.724 3.827 -2.920 1.00 0.00 C ATOM 341 CD1 LEU A 22 -3.471 3.028 -2.640 1.00 0.00 C ATOM 342 CD2 LEU A 22 -5.760 3.598 -1.833 1.00 0.00 C ATOM 0 H LEU A 22 -3.955 7.649 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.543 5.223 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.878 5.625 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.322 5.875 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.144 3.489 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.724 1.971 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.760 3.170 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.025 3.367 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.986 2.534 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.369 3.949 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.670 4.147 -2.076 1.00 0.00 H new ATOM 354 N VAL A 23 -3.617 4.147 -6.104 1.00 0.00 N ATOM 355 CA VAL A 23 -4.229 3.506 -7.257 1.00 0.00 C ATOM 356 C VAL A 23 -4.665 2.070 -6.942 1.00 0.00 C ATOM 357 O VAL A 23 -5.738 1.645 -7.369 1.00 0.00 O ATOM 358 CB VAL A 23 -3.300 3.522 -8.492 1.00 0.00 C ATOM 359 CG1 VAL A 23 -3.137 4.939 -9.024 1.00 0.00 C ATOM 360 CG2 VAL A 23 -1.946 2.925 -8.160 1.00 0.00 C ATOM 0 H VAL A 23 -2.738 3.728 -5.801 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.117 4.090 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.762 2.911 -9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.479 4.928 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.111 5.334 -9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.703 5.571 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.311 2.948 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.479 3.504 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.074 1.893 -7.832 1.00 0.00 H new ATOM 370 N ASP A 24 -3.846 1.321 -6.196 1.00 0.00 N ATOM 371 CA ASP A 24 -4.205 -0.039 -5.802 1.00 0.00 C ATOM 372 C ASP A 24 -3.663 -0.316 -4.405 1.00 0.00 C ATOM 373 O ASP A 24 -2.645 0.248 -4.026 1.00 0.00 O ATOM 374 CB ASP A 24 -3.630 -1.044 -6.811 1.00 0.00 C ATOM 375 CG ASP A 24 -4.243 -2.427 -6.700 1.00 0.00 C ATOM 376 OD1 ASP A 24 -5.165 -2.612 -5.880 1.00 0.00 O ATOM 377 OD2 ASP A 24 -3.816 -3.329 -7.456 1.00 0.00 O ATOM 0 H ASP A 24 -2.937 1.634 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.290 -0.144 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.788 -0.665 -7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.553 -1.119 -6.664 1.00 0.00 H new ATOM 382 N GLU A 25 -4.337 -1.156 -3.635 1.00 0.00 N ATOM 383 CA GLU A 25 -3.902 -1.441 -2.272 1.00 0.00 C ATOM 384 C GLU A 25 -4.567 -2.693 -1.709 1.00 0.00 C ATOM 385 O GLU A 25 -5.755 -2.943 -1.928 1.00 0.00 O ATOM 386 CB GLU A 25 -4.187 -0.249 -1.339 1.00 0.00 C ATOM 387 CG GLU A 25 -3.945 -0.558 0.136 1.00 0.00 C ATOM 388 CD GLU A 25 -4.528 0.480 1.070 1.00 0.00 C ATOM 389 OE1 GLU A 25 -4.119 1.655 1.003 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.407 0.123 1.884 1.00 0.00 O ATOM 0 H GLU A 25 -5.181 -1.650 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.827 -1.615 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.558 0.591 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.222 0.066 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.376 -1.531 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.872 -0.634 0.313 1.00 0.00 H new ATOM 397 N SER A 26 -3.772 -3.475 -0.997 1.00 0.00 N ATOM 398 CA SER A 26 -4.267 -4.554 -0.164 1.00 0.00 C ATOM 399 C SER A 26 -3.855 -4.259 1.272 1.00 0.00 C ATOM 400 O SER A 26 -2.665 -4.211 1.582 1.00 0.00 O ATOM 401 CB SER A 26 -3.703 -5.900 -0.620 1.00 0.00 C ATOM 402 OG SER A 26 -4.084 -6.188 -1.956 1.00 0.00 O ATOM 0 H SER A 26 -2.757 -3.376 -0.982 1.00 0.00 H new ATOM 0 HA SER A 26 -5.352 -4.618 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.616 -5.887 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.059 -6.690 0.041 1.00 0.00 H new ATOM 0 HG SER A 26 -3.285 -6.235 -2.521 1.00 0.00 H new ATOM 408 N PRO A 27 -4.827 -4.020 2.158 1.00 0.00 N ATOM 409 CA PRO A 27 -4.555 -3.572 3.526 1.00 0.00 C ATOM 410 C PRO A 27 -3.948 -4.656 4.408 1.00 0.00 C ATOM 411 O PRO A 27 -3.934 -5.834 4.063 1.00 0.00 O ATOM 412 CB PRO A 27 -5.940 -3.205 4.048 1.00 0.00 C ATOM 413 CG PRO A 27 -6.861 -4.089 3.286 1.00 0.00 C ATOM 414 CD PRO A 27 -6.274 -4.181 1.908 1.00 0.00 C ATOM 0 HA PRO A 27 -3.828 -2.760 3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.020 -3.377 5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.165 -2.152 3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.934 -5.073 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.869 -3.675 3.257 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.499 -5.137 1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.660 -3.402 1.251 1.00 0.00 H new ATOM 422 N VAL A 28 -3.450 -4.230 5.559 1.00 0.00 N ATOM 423 CA VAL A 28 -2.927 -5.145 6.562 1.00 0.00 C ATOM 424 C VAL A 28 -4.065 -5.861 7.262 1.00 0.00 C ATOM 425 O VAL A 28 -3.878 -6.903 7.886 1.00 0.00 O ATOM 426 CB VAL A 28 -2.083 -4.396 7.607 1.00 0.00 C ATOM 427 CG1 VAL A 28 -0.948 -3.664 6.922 1.00 0.00 C ATOM 428 CG2 VAL A 28 -2.941 -3.423 8.407 1.00 0.00 C ATOM 0 H VAL A 28 -3.397 -3.246 5.823 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.294 -5.871 6.052 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.667 -5.124 8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.354 -3.135 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.317 -4.381 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.355 -2.948 6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.320 -2.907 9.139 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.389 -2.694 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.729 -3.972 8.923 1.00 0.00 H new ATOM 438 N SER A 29 -5.248 -5.276 7.145 1.00 0.00 N ATOM 439 CA SER A 29 -6.444 -5.823 7.756 1.00 0.00 C ATOM 440 C SER A 29 -6.903 -7.063 6.997 1.00 0.00 C ATOM 441 O SER A 29 -7.408 -8.020 7.591 1.00 0.00 O ATOM 442 CB SER A 29 -7.530 -4.752 7.780 1.00 0.00 C ATOM 443 OG SER A 29 -7.638 -4.128 6.512 1.00 0.00 O ATOM 0 H SER A 29 -5.403 -4.412 6.625 1.00 0.00 H new ATOM 0 HA SER A 29 -6.230 -6.125 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.485 -5.200 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.297 -4.007 8.540 1.00 0.00 H new ATOM 0 HG SER A 29 -8.340 -3.445 6.542 1.00 0.00 H new ATOM 449 N ALA A 30 -6.711 -7.045 5.684 1.00 0.00 N ATOM 450 CA ALA A 30 -6.932 -8.220 4.866 1.00 0.00 C ATOM 451 C ALA A 30 -5.883 -8.266 3.771 1.00 0.00 C ATOM 452 O ALA A 30 -5.876 -7.436 2.863 1.00 0.00 O ATOM 453 CB ALA A 30 -8.332 -8.200 4.268 1.00 0.00 C ATOM 0 H ALA A 30 -6.401 -6.223 5.165 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.847 -9.113 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.479 -9.090 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.070 -8.184 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.450 -7.311 3.648 1.00 0.00 H new ATOM 459 N PRO A 31 -4.998 -9.256 3.842 1.00 0.00 N ATOM 460 CA PRO A 31 -3.863 -9.382 2.934 1.00 0.00 C ATOM 461 C PRO A 31 -4.236 -9.878 1.543 1.00 0.00 C ATOM 462 O PRO A 31 -5.296 -10.473 1.327 1.00 0.00 O ATOM 463 CB PRO A 31 -2.952 -10.401 3.638 1.00 0.00 C ATOM 464 CG PRO A 31 -3.524 -10.566 5.003 1.00 0.00 C ATOM 465 CD PRO A 31 -4.991 -10.319 4.847 1.00 0.00 C ATOM 0 HA PRO A 31 -3.400 -8.412 2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.936 -11.350 3.102 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.924 -10.043 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.332 -11.566 5.392 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.078 -9.861 5.704 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.524 -11.208 4.509 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.456 -10.005 5.781 1.00 0.00 H new ATOM 473 N LEU A 32 -3.345 -9.606 0.609 1.00 0.00 N ATOM 474 CA LEU A 32 -3.367 -10.215 -0.701 1.00 0.00 C ATOM 475 C LEU A 32 -2.765 -11.605 -0.584 1.00 0.00 C ATOM 476 O LEU A 32 -1.653 -11.761 -0.077 1.00 0.00 O ATOM 477 CB LEU A 32 -2.548 -9.385 -1.680 1.00 0.00 C ATOM 478 CG LEU A 32 -2.355 -10.016 -3.055 1.00 0.00 C ATOM 479 CD1 LEU A 32 -3.584 -9.831 -3.928 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.135 -9.431 -3.720 1.00 0.00 C ATOM 0 H LEU A 32 -2.578 -8.948 0.743 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.392 -10.271 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.032 -8.417 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.568 -9.197 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.208 -11.088 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.412 -10.292 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.444 -10.301 -3.450 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.779 -8.767 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.002 -9.886 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.263 -8.354 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.256 -9.629 -3.107 1.00 0.00 H new ATOM 492 N ASP A 33 -3.489 -12.603 -1.036 1.00 0.00 N ATOM 493 CA ASP A 33 -3.032 -13.979 -0.914 1.00 0.00 C ATOM 494 C ASP A 33 -2.722 -14.532 -2.289 1.00 0.00 C ATOM 495 O ASP A 33 -3.588 -14.566 -3.168 1.00 0.00 O ATOM 496 CB ASP A 33 -4.072 -14.859 -0.204 1.00 0.00 C ATOM 497 CG ASP A 33 -4.181 -14.565 1.282 1.00 0.00 C ATOM 498 OD1 ASP A 33 -3.452 -15.200 2.076 1.00 0.00 O ATOM 499 OD2 ASP A 33 -5.010 -13.706 1.662 1.00 0.00 O ATOM 0 H ASP A 33 -4.395 -12.494 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.128 -13.988 -0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.046 -14.710 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.809 -15.908 -0.343 1.00 0.00 H new ATOM 504 N TYR A 34 -1.485 -14.948 -2.484 1.00 0.00 N ATOM 505 CA TYR A 34 -1.046 -15.420 -3.781 1.00 0.00 C ATOM 506 C TYR A 34 -0.053 -16.559 -3.628 1.00 0.00 C ATOM 507 O TYR A 34 0.535 -16.744 -2.562 1.00 0.00 O ATOM 508 CB TYR A 34 -0.408 -14.278 -4.579 1.00 0.00 C ATOM 509 CG TYR A 34 0.922 -13.793 -4.027 1.00 0.00 C ATOM 510 CD1 TYR A 34 0.983 -12.783 -3.075 1.00 0.00 C ATOM 511 CD2 TYR A 34 2.119 -14.342 -4.474 1.00 0.00 C ATOM 512 CE1 TYR A 34 2.200 -12.336 -2.587 1.00 0.00 C ATOM 513 CE2 TYR A 34 3.335 -13.903 -3.990 1.00 0.00 C ATOM 514 CZ TYR A 34 3.373 -12.902 -3.051 1.00 0.00 C ATOM 515 OH TYR A 34 4.588 -12.466 -2.569 1.00 0.00 O ATOM 0 H TYR A 34 -0.767 -14.968 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.919 -15.786 -4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.262 -14.607 -5.608 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.103 -13.439 -4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.068 -12.340 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.097 -15.128 -5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.232 -11.549 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.253 -14.345 -4.349 1.00 0.00 H new ATOM 0 HH TYR A 34 5.310 -12.970 -2.999 1.00 0.00 H new ATOM 525 N LEU A 35 0.133 -17.309 -4.699 1.00 0.00 N ATOM 526 CA LEU A 35 1.092 -18.395 -4.711 1.00 0.00 C ATOM 527 C LEU A 35 2.282 -18.005 -5.576 1.00 0.00 C ATOM 528 O LEU A 35 2.188 -17.982 -6.805 1.00 0.00 O ATOM 529 CB LEU A 35 0.438 -19.674 -5.239 1.00 0.00 C ATOM 530 CG LEU A 35 1.331 -20.913 -5.224 1.00 0.00 C ATOM 531 CD1 LEU A 35 1.820 -21.195 -3.813 1.00 0.00 C ATOM 532 CD2 LEU A 35 0.579 -22.110 -5.779 1.00 0.00 C ATOM 0 H LEU A 35 -0.372 -17.183 -5.576 1.00 0.00 H new ATOM 0 HA LEU A 35 1.437 -18.586 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.452 -19.880 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.105 -19.498 -6.262 1.00 0.00 H new ATOM 0 HG LEU A 35 2.199 -20.727 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.455 -22.081 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.391 -20.341 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.965 -21.366 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.227 -22.986 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.304 -22.300 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.273 -21.904 -6.805 1.00 0.00 H new ATOM 544 N HIS A 36 3.396 -17.690 -4.928 1.00 0.00 N ATOM 545 CA HIS A 36 4.569 -17.190 -5.630 1.00 0.00 C ATOM 546 C HIS A 36 5.064 -18.235 -6.625 1.00 0.00 C ATOM 547 O HIS A 36 5.211 -19.407 -6.286 1.00 0.00 O ATOM 548 CB HIS A 36 5.664 -16.835 -4.622 1.00 0.00 C ATOM 549 CG HIS A 36 6.720 -15.904 -5.150 1.00 0.00 C ATOM 550 ND1 HIS A 36 6.766 -14.560 -4.827 1.00 0.00 N ATOM 551 CD2 HIS A 36 7.783 -16.129 -5.963 1.00 0.00 C ATOM 552 CE1 HIS A 36 7.809 -14.003 -5.419 1.00 0.00 C ATOM 553 NE2 HIS A 36 8.439 -14.930 -6.112 1.00 0.00 N ATOM 0 H HIS A 36 3.511 -17.772 -3.918 1.00 0.00 H new ATOM 0 HA HIS A 36 4.304 -16.289 -6.183 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.201 -16.379 -3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.143 -17.755 -4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.061 -17.072 -6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.096 -12.964 -5.347 1.00 0.00 H new ATOM 0 HE2 HIS A 36 9.280 -14.782 -6.670 1.00 0.00 H new ATOM 562 N GLY A 37 5.293 -17.814 -7.856 1.00 0.00 N ATOM 563 CA GLY A 37 5.704 -18.745 -8.885 1.00 0.00 C ATOM 564 C GLY A 37 4.558 -19.131 -9.800 1.00 0.00 C ATOM 565 O GLY A 37 4.756 -19.815 -10.803 1.00 0.00 O ATOM 0 H GLY A 37 5.202 -16.845 -8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.505 -18.300 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.112 -19.642 -8.419 1.00 0.00 H new ATOM 569 N HIS A 38 3.355 -18.705 -9.437 1.00 0.00 N ATOM 570 CA HIS A 38 2.155 -19.000 -10.208 1.00 0.00 C ATOM 571 C HIS A 38 1.353 -17.720 -10.330 1.00 0.00 C ATOM 572 O HIS A 38 0.258 -17.680 -10.887 1.00 0.00 O ATOM 573 CB HIS A 38 1.310 -20.066 -9.502 1.00 0.00 C ATOM 574 CG HIS A 38 1.974 -21.403 -9.354 1.00 0.00 C ATOM 575 ND1 HIS A 38 1.588 -22.522 -10.062 1.00 0.00 N ATOM 576 CD2 HIS A 38 2.981 -21.809 -8.542 1.00 0.00 C ATOM 577 CE1 HIS A 38 2.324 -23.551 -9.692 1.00 0.00 C ATOM 578 NE2 HIS A 38 3.175 -23.145 -8.774 1.00 0.00 N ATOM 0 H HIS A 38 3.184 -18.146 -8.601 1.00 0.00 H new ATOM 0 HA HIS A 38 2.432 -19.380 -11.191 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.041 -19.699 -8.512 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.381 -20.198 -10.056 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.528 -21.194 -7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.242 -24.557 -10.077 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.868 -23.731 -8.309 1.00 0.00 H new ATOM 587 N GLY A 39 1.944 -16.680 -9.782 1.00 0.00 N ATOM 588 CA GLY A 39 1.295 -15.413 -9.609 1.00 0.00 C ATOM 589 C GLY A 39 1.838 -14.773 -8.362 1.00 0.00 C ATOM 590 O GLY A 39 1.375 -15.049 -7.260 1.00 0.00 O ATOM 0 H GLY A 39 2.905 -16.699 -9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.474 -14.773 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.216 -15.546 -9.529 1.00 0.00 H new ATOM 594 N SER A 40 2.833 -13.933 -8.546 1.00 0.00 N ATOM 595 CA SER A 40 3.598 -13.388 -7.446 1.00 0.00 C ATOM 596 C SER A 40 3.383 -11.874 -7.408 1.00 0.00 C ATOM 597 O SER A 40 4.088 -11.122 -6.734 1.00 0.00 O ATOM 598 CB SER A 40 5.042 -13.705 -7.665 1.00 0.00 C ATOM 599 OG SER A 40 5.237 -15.076 -7.968 1.00 0.00 O ATOM 0 H SER A 40 3.135 -13.608 -9.464 1.00 0.00 H new ATOM 0 HA SER A 40 3.279 -13.819 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.429 -13.093 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.611 -13.445 -6.773 1.00 0.00 H new ATOM 0 HG SER A 40 5.408 -15.178 -8.928 1.00 0.00 H new ATOM 605 N LEU A 41 2.343 -11.517 -8.143 1.00 0.00 N ATOM 606 CA LEU A 41 1.913 -10.157 -8.528 1.00 0.00 C ATOM 607 C LEU A 41 3.031 -9.211 -8.938 1.00 0.00 C ATOM 608 O LEU A 41 3.840 -8.734 -8.150 1.00 0.00 O ATOM 609 CB LEU A 41 0.825 -9.481 -7.625 1.00 0.00 C ATOM 610 CG LEU A 41 1.030 -9.293 -6.112 1.00 0.00 C ATOM 611 CD1 LEU A 41 1.585 -10.514 -5.451 1.00 0.00 C ATOM 612 CD2 LEU A 41 1.877 -8.091 -5.799 1.00 0.00 C ATOM 0 H LEU A 41 1.714 -12.223 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 41 1.373 -10.373 -9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.638 -8.492 -8.043 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.091 -10.058 -7.750 1.00 0.00 H new ATOM 0 HG LEU A 41 0.036 -9.120 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.710 -10.326 -4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.899 -11.349 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.552 -10.759 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.994 -7.999 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.857 -8.206 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.395 -7.195 -6.189 1.00 0.00 H new ATOM 624 N ILE A 42 2.973 -8.973 -10.241 1.00 0.00 N ATOM 625 CA ILE A 42 3.856 -8.121 -11.053 1.00 0.00 C ATOM 626 C ILE A 42 5.346 -8.386 -10.902 1.00 0.00 C ATOM 627 O ILE A 42 5.931 -8.307 -9.826 1.00 0.00 O ATOM 628 CB ILE A 42 3.590 -6.619 -10.896 1.00 0.00 C ATOM 629 CG1 ILE A 42 3.960 -6.167 -9.500 1.00 0.00 C ATOM 630 CG2 ILE A 42 2.141 -6.315 -11.220 1.00 0.00 C ATOM 631 CD1 ILE A 42 3.734 -4.702 -9.247 1.00 0.00 C ATOM 0 H ILE A 42 2.248 -9.404 -10.814 1.00 0.00 H new ATOM 0 HA ILE A 42 3.580 -8.424 -12.063 1.00 0.00 H new ATOM 0 HB ILE A 42 4.212 -6.063 -11.597 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.381 -6.743 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.010 -6.397 -9.322 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.959 -5.246 -11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.928 -6.612 -12.247 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.492 -6.868 -10.540 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.024 -4.460 -8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.334 -4.116 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.679 -4.466 -9.390 1.00 0.00 H new ATOM 643 N SER A 43 5.945 -8.581 -12.060 1.00 0.00 N ATOM 644 CA SER A 43 7.315 -9.058 -12.214 1.00 0.00 C ATOM 645 C SER A 43 8.328 -8.273 -11.381 1.00 0.00 C ATOM 646 O SER A 43 9.173 -8.865 -10.697 1.00 0.00 O ATOM 647 CB SER A 43 7.674 -8.961 -13.691 1.00 0.00 C ATOM 648 OG SER A 43 9.009 -9.364 -13.944 1.00 0.00 O ATOM 0 H SER A 43 5.481 -8.408 -12.952 1.00 0.00 H new ATOM 0 HA SER A 43 7.361 -10.085 -11.852 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.992 -9.583 -14.271 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.535 -7.935 -14.030 1.00 0.00 H new ATOM 0 HG SER A 43 9.198 -9.288 -14.903 1.00 0.00 H new ATOM 654 N GLY A 44 8.254 -6.948 -11.442 1.00 0.00 N ATOM 655 CA GLY A 44 9.209 -6.127 -10.726 1.00 0.00 C ATOM 656 C GLY A 44 9.045 -6.229 -9.230 1.00 0.00 C ATOM 657 O GLY A 44 10.024 -6.229 -8.483 1.00 0.00 O ATOM 0 H GLY A 44 7.553 -6.431 -11.972 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.220 -6.428 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.092 -5.087 -11.032 1.00 0.00 H new ATOM 661 N LEU A 45 7.802 -6.338 -8.798 1.00 0.00 N ATOM 662 CA LEU A 45 7.493 -6.402 -7.386 1.00 0.00 C ATOM 663 C LEU A 45 7.848 -7.773 -6.838 1.00 0.00 C ATOM 664 O LEU A 45 8.488 -7.878 -5.802 1.00 0.00 O ATOM 665 CB LEU A 45 6.025 -6.092 -7.164 1.00 0.00 C ATOM 666 CG LEU A 45 5.559 -6.036 -5.717 1.00 0.00 C ATOM 667 CD1 LEU A 45 6.355 -5.007 -4.929 1.00 0.00 C ATOM 668 CD2 LEU A 45 4.076 -5.718 -5.684 1.00 0.00 C ATOM 0 H LEU A 45 6.988 -6.384 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 45 8.085 -5.658 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.803 -5.133 -7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.434 -6.845 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 45 5.728 -7.005 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.003 -4.986 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.412 -5.274 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.222 -4.023 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.736 -5.676 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.900 -4.755 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.526 -6.494 -6.216 1.00 0.00 H new ATOM 680 N GLU A 46 7.431 -8.811 -7.563 1.00 0.00 N ATOM 681 CA GLU A 46 7.690 -10.199 -7.164 1.00 0.00 C ATOM 682 C GLU A 46 9.163 -10.373 -6.808 1.00 0.00 C ATOM 683 O GLU A 46 9.506 -10.921 -5.757 1.00 0.00 O ATOM 684 CB GLU A 46 7.331 -11.188 -8.285 1.00 0.00 C ATOM 685 CG GLU A 46 5.976 -10.974 -8.912 1.00 0.00 C ATOM 686 CD GLU A 46 5.788 -11.755 -10.205 1.00 0.00 C ATOM 687 OE1 GLU A 46 6.737 -11.820 -11.014 1.00 0.00 O ATOM 688 OE2 GLU A 46 4.684 -12.309 -10.419 1.00 0.00 O ATOM 0 H GLU A 46 6.909 -8.718 -8.435 1.00 0.00 H new ATOM 0 HA GLU A 46 7.063 -10.412 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.090 -11.122 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.373 -12.200 -7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.203 -11.267 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.839 -9.911 -9.113 1.00 0.00 H new ATOM 695 N THR A 47 10.018 -9.900 -7.704 1.00 0.00 N ATOM 696 CA THR A 47 11.459 -9.958 -7.531 1.00 0.00 C ATOM 697 C THR A 47 11.917 -9.194 -6.287 1.00 0.00 C ATOM 698 O THR A 47 12.831 -9.624 -5.584 1.00 0.00 O ATOM 699 CB THR A 47 12.149 -9.380 -8.780 1.00 0.00 C ATOM 700 OG1 THR A 47 11.660 -10.051 -9.949 1.00 0.00 O ATOM 701 CG2 THR A 47 13.660 -9.529 -8.699 1.00 0.00 C ATOM 0 H THR A 47 9.727 -9.462 -8.578 1.00 0.00 H new ATOM 0 HA THR A 47 11.738 -11.003 -7.397 1.00 0.00 H new ATOM 0 HB THR A 47 11.918 -8.316 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.812 -9.646 -10.228 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.115 -9.111 -9.597 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.031 -8.998 -7.822 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.918 -10.585 -8.620 1.00 0.00 H new ATOM 709 N ALA A 48 11.268 -8.069 -6.016 1.00 0.00 N ATOM 710 CA ALA A 48 11.608 -7.251 -4.862 1.00 0.00 C ATOM 711 C ALA A 48 11.102 -7.913 -3.585 1.00 0.00 C ATOM 712 O ALA A 48 11.734 -7.852 -2.531 1.00 0.00 O ATOM 713 CB ALA A 48 11.012 -5.856 -5.013 1.00 0.00 C ATOM 0 H ALA A 48 10.502 -7.703 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 48 12.692 -7.159 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.273 -5.253 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.409 -5.386 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.927 -5.930 -5.091 1.00 0.00 H new ATOM 719 N LEU A 49 9.937 -8.522 -3.704 1.00 0.00 N ATOM 720 CA LEU A 49 9.311 -9.254 -2.617 1.00 0.00 C ATOM 721 C LEU A 49 10.155 -10.435 -2.176 1.00 0.00 C ATOM 722 O LEU A 49 10.210 -10.757 -0.999 1.00 0.00 O ATOM 723 CB LEU A 49 7.931 -9.727 -3.066 1.00 0.00 C ATOM 724 CG LEU A 49 6.999 -8.587 -3.453 1.00 0.00 C ATOM 725 CD1 LEU A 49 5.681 -9.104 -4.004 1.00 0.00 C ATOM 726 CD2 LEU A 49 6.779 -7.685 -2.255 1.00 0.00 C ATOM 0 H LEU A 49 9.393 -8.523 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 49 9.216 -8.588 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.044 -10.399 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.473 -10.304 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 49 7.467 -8.010 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.042 -8.262 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.870 -9.709 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.184 -9.712 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.112 -6.869 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.332 -8.260 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.735 -7.277 -1.926 1.00 0.00 H new ATOM 738 N GLU A 50 10.796 -11.074 -3.130 1.00 0.00 N ATOM 739 CA GLU A 50 11.644 -12.230 -2.878 1.00 0.00 C ATOM 740 C GLU A 50 12.741 -11.996 -1.839 1.00 0.00 C ATOM 741 O GLU A 50 13.204 -10.877 -1.608 1.00 0.00 O ATOM 742 CB GLU A 50 12.243 -12.733 -4.186 1.00 0.00 C ATOM 743 CG GLU A 50 11.350 -13.744 -4.874 1.00 0.00 C ATOM 744 CD GLU A 50 11.781 -14.067 -6.287 1.00 0.00 C ATOM 745 OE1 GLU A 50 12.996 -14.053 -6.566 1.00 0.00 O ATOM 746 OE2 GLU A 50 10.900 -14.371 -7.120 1.00 0.00 O ATOM 0 H GLU A 50 10.746 -10.807 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 50 10.994 -12.990 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.414 -11.888 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.215 -13.185 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.336 -14.663 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.329 -13.362 -4.892 1.00 0.00 H new ATOM 753 N GLY A 51 13.131 -13.103 -1.224 1.00 0.00 N ATOM 754 CA GLY A 51 14.224 -13.101 -0.264 1.00 0.00 C ATOM 755 C GLY A 51 13.917 -12.586 1.135 1.00 0.00 C ATOM 756 O GLY A 51 14.715 -12.811 2.043 1.00 0.00 O ATOM 0 H GLY A 51 12.704 -14.017 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.598 -14.121 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.035 -12.500 -0.676 1.00 0.00 H new ATOM 760 N HIS A 52 12.809 -11.895 1.350 1.00 0.00 N ATOM 761 CA HIS A 52 12.554 -11.370 2.696 1.00 0.00 C ATOM 762 C HIS A 52 11.533 -12.239 3.416 1.00 0.00 C ATOM 763 O HIS A 52 10.979 -13.165 2.831 1.00 0.00 O ATOM 764 CB HIS A 52 12.136 -9.882 2.696 1.00 0.00 C ATOM 765 CG HIS A 52 10.787 -9.563 2.116 1.00 0.00 C ATOM 766 ND1 HIS A 52 9.602 -9.977 2.687 1.00 0.00 N ATOM 767 CD2 HIS A 52 10.437 -8.831 1.028 1.00 0.00 C ATOM 768 CE1 HIS A 52 8.590 -9.521 1.975 1.00 0.00 C ATOM 769 NE2 HIS A 52 9.067 -8.823 0.966 1.00 0.00 N ATOM 0 H HIS A 52 12.096 -11.687 0.650 1.00 0.00 H new ATOM 0 HA HIS A 52 13.497 -11.412 3.242 1.00 0.00 H new ATOM 0 HB2 HIS A 52 12.159 -9.522 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 52 12.887 -9.317 2.144 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.521 -10.547 3.529 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.112 -8.345 0.339 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.544 -9.692 2.185 1.00 0.00 H new ATOM 778 N GLU A 53 11.290 -11.956 4.684 1.00 0.00 N ATOM 779 CA GLU A 53 10.365 -12.764 5.462 1.00 0.00 C ATOM 780 C GLU A 53 9.209 -11.918 5.972 1.00 0.00 C ATOM 781 O GLU A 53 9.202 -10.703 5.796 1.00 0.00 O ATOM 782 CB GLU A 53 11.066 -13.461 6.634 1.00 0.00 C ATOM 783 CG GLU A 53 12.115 -14.484 6.216 1.00 0.00 C ATOM 784 CD GLU A 53 13.526 -13.933 6.250 1.00 0.00 C ATOM 785 OE1 GLU A 53 13.910 -13.345 7.282 1.00 0.00 O ATOM 786 OE2 GLU A 53 14.270 -14.106 5.261 1.00 0.00 O ATOM 0 H GLU A 53 11.715 -11.181 5.193 1.00 0.00 H new ATOM 0 HA GLU A 53 9.974 -13.536 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.541 -12.705 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.315 -13.958 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.053 -15.350 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.892 -14.834 5.208 1.00 0.00 H new ATOM 793 N VAL A 54 8.209 -12.578 6.547 1.00 0.00 N ATOM 794 CA VAL A 54 7.046 -11.893 7.109 1.00 0.00 C ATOM 795 C VAL A 54 7.467 -10.789 8.081 1.00 0.00 C ATOM 796 O VAL A 54 8.446 -10.929 8.819 1.00 0.00 O ATOM 797 CB VAL A 54 6.062 -12.876 7.807 1.00 0.00 C ATOM 798 CG1 VAL A 54 6.428 -14.322 7.526 1.00 0.00 C ATOM 799 CG2 VAL A 54 5.971 -12.633 9.308 1.00 0.00 C ATOM 0 H VAL A 54 8.179 -13.594 6.637 1.00 0.00 H new ATOM 0 HA VAL A 54 6.520 -11.439 6.269 1.00 0.00 H new ATOM 0 HB VAL A 54 5.078 -12.681 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.720 -14.981 8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.393 -14.504 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.434 -14.521 7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.272 -13.343 9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.955 -12.764 9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.620 -11.617 9.492 1.00 0.00 H new ATOM 809 N GLY A 55 6.731 -9.688 8.054 1.00 0.00 N ATOM 810 CA GLY A 55 7.009 -8.581 8.949 1.00 0.00 C ATOM 811 C GLY A 55 7.836 -7.487 8.300 1.00 0.00 C ATOM 812 O GLY A 55 7.928 -6.382 8.830 1.00 0.00 O ATOM 0 H GLY A 55 5.942 -9.540 7.425 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.067 -8.158 9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.536 -8.954 9.827 1.00 0.00 H new ATOM 816 N ASP A 56 8.451 -7.795 7.163 1.00 0.00 N ATOM 817 CA ASP A 56 9.256 -6.808 6.447 1.00 0.00 C ATOM 818 C ASP A 56 8.379 -5.781 5.741 1.00 0.00 C ATOM 819 O ASP A 56 7.433 -6.127 5.026 1.00 0.00 O ATOM 820 CB ASP A 56 10.195 -7.467 5.428 1.00 0.00 C ATOM 821 CG ASP A 56 11.393 -8.139 6.071 1.00 0.00 C ATOM 822 OD1 ASP A 56 12.150 -7.453 6.792 1.00 0.00 O ATOM 823 OD2 ASP A 56 11.585 -9.356 5.862 1.00 0.00 O ATOM 0 H ASP A 56 8.409 -8.712 6.719 1.00 0.00 H new ATOM 0 HA ASP A 56 9.862 -6.300 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.637 -8.206 4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.544 -6.712 4.723 1.00 0.00 H new ATOM 828 N LYS A 57 8.712 -4.521 5.955 1.00 0.00 N ATOM 829 CA LYS A 57 8.029 -3.418 5.301 1.00 0.00 C ATOM 830 C LYS A 57 9.041 -2.436 4.746 1.00 0.00 C ATOM 831 O LYS A 57 9.895 -1.925 5.471 1.00 0.00 O ATOM 832 CB LYS A 57 7.063 -2.700 6.250 1.00 0.00 C ATOM 833 CG LYS A 57 6.379 -1.492 5.613 1.00 0.00 C ATOM 834 CD LYS A 57 6.971 -0.182 6.114 1.00 0.00 C ATOM 835 CE LYS A 57 6.474 1.023 5.323 1.00 0.00 C ATOM 836 NZ LYS A 57 7.140 1.141 3.994 1.00 0.00 N ATOM 0 H LYS A 57 9.461 -4.233 6.585 1.00 0.00 H new ATOM 0 HA LYS A 57 7.439 -3.833 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.302 -3.405 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.609 -2.375 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.480 -1.546 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.312 -1.518 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.718 -0.051 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.058 -0.231 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.396 0.942 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.653 1.931 5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.770 1.974 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.166 1.245 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.949 0.287 3.433 1.00 0.00 H new ATOM 850 N PHE A 58 8.935 -2.172 3.459 1.00 0.00 N ATOM 851 CA PHE A 58 9.852 -1.267 2.794 1.00 0.00 C ATOM 852 C PHE A 58 9.131 -0.564 1.657 1.00 0.00 C ATOM 853 O PHE A 58 7.930 -0.778 1.456 1.00 0.00 O ATOM 854 CB PHE A 58 11.091 -2.030 2.290 1.00 0.00 C ATOM 855 CG PHE A 58 10.817 -3.064 1.224 1.00 0.00 C ATOM 856 CD1 PHE A 58 10.159 -4.249 1.527 1.00 0.00 C ATOM 857 CD2 PHE A 58 11.224 -2.849 -0.082 1.00 0.00 C ATOM 858 CE1 PHE A 58 9.915 -5.194 0.547 1.00 0.00 C ATOM 859 CE2 PHE A 58 10.985 -3.790 -1.063 1.00 0.00 C ATOM 860 CZ PHE A 58 10.329 -4.963 -0.751 1.00 0.00 C ATOM 0 H PHE A 58 8.221 -2.573 2.851 1.00 0.00 H new ATOM 0 HA PHE A 58 10.199 -0.514 3.502 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.808 -1.309 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.565 -2.523 3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.834 -4.435 2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.735 -1.932 -0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.402 -6.111 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.312 -3.608 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.140 -5.698 -1.519 1.00 0.00 H new ATOM 870 N ASP A 59 9.844 0.274 0.925 1.00 0.00 N ATOM 871 CA ASP A 59 9.258 1.021 -0.170 1.00 0.00 C ATOM 872 C ASP A 59 9.856 0.515 -1.470 1.00 0.00 C ATOM 873 O ASP A 59 11.029 0.143 -1.505 1.00 0.00 O ATOM 874 CB ASP A 59 9.536 2.520 -0.014 1.00 0.00 C ATOM 875 CG ASP A 59 9.074 3.071 1.321 1.00 0.00 C ATOM 876 OD1 ASP A 59 7.855 3.051 1.598 1.00 0.00 O ATOM 877 OD2 ASP A 59 9.931 3.524 2.106 1.00 0.00 O ATOM 0 H ASP A 59 10.837 0.454 1.072 1.00 0.00 H new ATOM 0 HA ASP A 59 8.177 0.878 -0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.605 2.699 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.037 3.062 -0.817 1.00 0.00 H new ATOM 882 N VAL A 60 9.078 0.497 -2.542 1.00 0.00 N ATOM 883 CA VAL A 60 9.525 -0.112 -3.782 1.00 0.00 C ATOM 884 C VAL A 60 9.179 0.805 -4.947 1.00 0.00 C ATOM 885 O VAL A 60 8.129 1.444 -4.947 1.00 0.00 O ATOM 886 CB VAL A 60 8.861 -1.491 -4.020 1.00 0.00 C ATOM 887 CG1 VAL A 60 9.581 -2.279 -5.100 1.00 0.00 C ATOM 888 CG2 VAL A 60 8.794 -2.304 -2.748 1.00 0.00 C ATOM 0 H VAL A 60 8.140 0.895 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 60 10.603 -0.259 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 60 7.843 -1.293 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.087 -3.241 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.557 -1.720 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.616 -2.443 -4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.322 -3.265 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.802 -2.469 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.209 -1.765 -2.002 1.00 0.00 H new ATOM 898 N ALA A 61 10.063 0.876 -5.919 1.00 0.00 N ATOM 899 CA ALA A 61 9.804 1.657 -7.114 1.00 0.00 C ATOM 900 C ALA A 61 10.153 0.856 -8.353 1.00 0.00 C ATOM 901 O ALA A 61 11.321 0.556 -8.610 1.00 0.00 O ATOM 902 CB ALA A 61 10.573 2.966 -7.073 1.00 0.00 C ATOM 0 H ALA A 61 10.967 0.404 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 61 8.741 1.895 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.366 3.538 -7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.264 3.542 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.641 2.759 -7.011 1.00 0.00 H new ATOM 908 N VAL A 62 9.132 0.524 -9.120 1.00 0.00 N ATOM 909 CA VAL A 62 9.297 -0.329 -10.288 1.00 0.00 C ATOM 910 C VAL A 62 8.711 0.342 -11.523 1.00 0.00 C ATOM 911 O VAL A 62 7.698 1.040 -11.441 1.00 0.00 O ATOM 912 CB VAL A 62 8.620 -1.701 -10.074 1.00 0.00 C ATOM 913 CG1 VAL A 62 8.800 -2.597 -11.289 1.00 0.00 C ATOM 914 CG2 VAL A 62 9.170 -2.384 -8.835 1.00 0.00 C ATOM 0 H VAL A 62 8.174 0.832 -8.956 1.00 0.00 H new ATOM 0 HA VAL A 62 10.365 -0.487 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 62 7.553 -1.526 -9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.313 -3.556 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.353 -2.121 -12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.863 -2.758 -11.468 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.680 -3.348 -8.703 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.243 -2.535 -8.949 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.983 -1.759 -7.962 1.00 0.00 H new ATOM 924 N GLY A 63 9.363 0.131 -12.659 1.00 0.00 N ATOM 925 CA GLY A 63 8.897 0.703 -13.902 1.00 0.00 C ATOM 926 C GLY A 63 7.637 0.028 -14.397 1.00 0.00 C ATOM 927 O GLY A 63 7.402 -1.146 -14.108 1.00 0.00 O ATOM 0 H GLY A 63 10.211 -0.430 -12.739 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.708 1.767 -13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.677 0.614 -14.658 1.00 0.00 H new ATOM 931 N ALA A 64 6.844 0.770 -15.160 1.00 0.00 N ATOM 932 CA ALA A 64 5.554 0.297 -15.661 1.00 0.00 C ATOM 933 C ALA A 64 5.668 -0.989 -16.472 1.00 0.00 C ATOM 934 O ALA A 64 4.685 -1.700 -16.655 1.00 0.00 O ATOM 935 CB ALA A 64 4.907 1.374 -16.509 1.00 0.00 C ATOM 0 H ALA A 64 7.076 1.720 -15.451 1.00 0.00 H new ATOM 0 HA ALA A 64 4.937 0.075 -14.790 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.946 1.017 -16.880 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.753 2.269 -15.906 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.556 1.612 -17.352 1.00 0.00 H new ATOM 941 N ASN A 65 6.861 -1.272 -16.972 1.00 0.00 N ATOM 942 CA ASN A 65 7.075 -2.436 -17.823 1.00 0.00 C ATOM 943 C ASN A 65 7.161 -3.711 -16.987 1.00 0.00 C ATOM 944 O ASN A 65 6.971 -4.816 -17.492 1.00 0.00 O ATOM 945 CB ASN A 65 8.352 -2.245 -18.646 1.00 0.00 C ATOM 946 CG ASN A 65 8.346 -3.019 -19.954 1.00 0.00 C ATOM 947 OD1 ASN A 65 7.738 -4.080 -20.072 1.00 0.00 O ATOM 948 ND2 ASN A 65 9.021 -2.478 -20.958 1.00 0.00 N ATOM 0 H ASN A 65 7.697 -0.712 -16.804 1.00 0.00 H new ATOM 0 HA ASN A 65 6.227 -2.537 -18.500 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.483 -1.184 -18.860 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.210 -2.558 -18.051 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.047 -2.944 -21.865 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.514 -1.595 -20.824 1.00 0.00 H new ATOM 955 N ASP A 66 7.438 -3.553 -15.698 1.00 0.00 N ATOM 956 CA ASP A 66 7.570 -4.701 -14.807 1.00 0.00 C ATOM 957 C ASP A 66 6.483 -4.692 -13.739 1.00 0.00 C ATOM 958 O ASP A 66 6.220 -5.710 -13.094 1.00 0.00 O ATOM 959 CB ASP A 66 8.946 -4.717 -14.131 1.00 0.00 C ATOM 960 CG ASP A 66 10.091 -4.851 -15.110 1.00 0.00 C ATOM 961 OD1 ASP A 66 10.327 -5.972 -15.612 1.00 0.00 O ATOM 962 OD2 ASP A 66 10.767 -3.837 -15.376 1.00 0.00 O ATOM 0 H ASP A 66 7.575 -2.648 -15.248 1.00 0.00 H new ATOM 0 HA ASP A 66 7.462 -5.598 -15.416 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.072 -3.798 -13.558 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.985 -5.543 -13.421 1.00 0.00 H new ATOM 967 N ALA A 67 5.877 -3.537 -13.542 1.00 0.00 N ATOM 968 CA ALA A 67 4.819 -3.377 -12.559 1.00 0.00 C ATOM 969 C ALA A 67 3.502 -3.073 -13.259 1.00 0.00 C ATOM 970 O ALA A 67 3.284 -3.510 -14.388 1.00 0.00 O ATOM 971 CB ALA A 67 5.184 -2.261 -11.594 1.00 0.00 C ATOM 0 H ALA A 67 6.102 -2.685 -14.056 1.00 0.00 H new ATOM 0 HA ALA A 67 4.703 -4.303 -11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.389 -2.142 -10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.116 -2.510 -11.086 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.309 -1.329 -12.146 1.00 0.00 H new ATOM 1119 N GLN A 77 -8.095 -7.717 -25.275 1.00 0.00 N ATOM 1120 CA GLN A 77 -8.599 -8.830 -24.512 1.00 0.00 C ATOM 1121 C GLN A 77 -8.211 -10.112 -25.211 1.00 0.00 C ATOM 1122 O GLN A 77 -7.749 -10.099 -26.356 1.00 0.00 O ATOM 1123 CB GLN A 77 -10.122 -8.754 -24.311 1.00 0.00 C ATOM 1124 CG GLN A 77 -10.935 -8.838 -25.590 1.00 0.00 C ATOM 1125 CD GLN A 77 -11.211 -7.476 -26.206 1.00 0.00 C ATOM 1126 OE1 GLN A 77 -12.201 -6.826 -25.878 1.00 0.00 O ATOM 1127 NE2 GLN A 77 -10.353 -7.040 -27.114 1.00 0.00 N ATOM 0 HA GLN A 77 -8.156 -8.799 -23.517 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.428 -9.563 -23.648 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.362 -7.819 -23.805 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.403 -9.457 -26.313 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.882 -9.335 -25.381 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.542 -7.606 -27.362 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.503 -6.138 -27.566 1.00 0.00 H new ATOM 1136 N ARG A 78 -8.404 -11.207 -24.523 1.00 0.00 N ATOM 1137 CA ARG A 78 -7.993 -12.496 -25.024 1.00 0.00 C ATOM 1138 C ARG A 78 -9.222 -13.279 -25.427 1.00 0.00 C ATOM 1139 O ARG A 78 -10.058 -13.618 -24.589 1.00 0.00 O ATOM 1140 CB ARG A 78 -7.167 -13.255 -23.979 1.00 0.00 C ATOM 1141 CG ARG A 78 -5.870 -12.554 -23.585 1.00 0.00 C ATOM 1142 CD ARG A 78 -6.100 -11.476 -22.528 1.00 0.00 C ATOM 1143 NE ARG A 78 -4.859 -10.802 -22.143 1.00 0.00 N ATOM 1144 CZ ARG A 78 -4.793 -9.763 -21.302 1.00 0.00 C ATOM 1145 NH1 ARG A 78 -5.902 -9.253 -20.765 1.00 0.00 N ATOM 1146 NH2 ARG A 78 -3.615 -9.227 -21.005 1.00 0.00 N ATOM 0 H ARG A 78 -8.848 -11.233 -23.605 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.354 -12.359 -25.896 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.775 -13.401 -23.086 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.929 -14.245 -24.368 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.162 -13.290 -23.204 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.418 -12.104 -24.469 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.807 -10.740 -22.911 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.555 -11.926 -21.646 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.986 -11.147 -22.542 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.811 -9.655 -20.994 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.841 -8.461 -20.125 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.763 -9.607 -21.418 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.562 -8.435 -20.364 1.00 0.00 H new ATOM 1160 N VAL A 79 -9.334 -13.548 -26.713 1.00 0.00 N ATOM 1161 CA VAL A 79 -10.546 -14.140 -27.253 1.00 0.00 C ATOM 1162 C VAL A 79 -10.282 -15.563 -27.731 1.00 0.00 C ATOM 1163 O VAL A 79 -9.329 -15.812 -28.475 1.00 0.00 O ATOM 1164 CB VAL A 79 -11.112 -13.303 -28.419 1.00 0.00 C ATOM 1165 CG1 VAL A 79 -12.539 -13.725 -28.739 1.00 0.00 C ATOM 1166 CG2 VAL A 79 -11.052 -11.816 -28.103 1.00 0.00 C ATOM 0 H VAL A 79 -8.604 -13.368 -27.403 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.283 -14.159 -26.450 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.493 -13.487 -29.297 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.920 -13.123 -29.564 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.552 -14.778 -29.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.168 -13.577 -27.861 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.457 -11.249 -28.941 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.639 -11.610 -27.208 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.016 -11.522 -27.933 1.00 0.00 H new ATOM 1176 N PRO A 80 -11.118 -16.515 -27.291 1.00 0.00 N ATOM 1177 CA PRO A 80 -11.003 -17.917 -27.684 1.00 0.00 C ATOM 1178 C PRO A 80 -11.183 -18.090 -29.184 1.00 0.00 C ATOM 1179 O PRO A 80 -12.094 -17.511 -29.775 1.00 0.00 O ATOM 1180 CB PRO A 80 -12.143 -18.622 -26.946 1.00 0.00 C ATOM 1181 CG PRO A 80 -12.682 -17.645 -25.955 1.00 0.00 C ATOM 1182 CD PRO A 80 -12.250 -16.275 -26.386 1.00 0.00 C ATOM 0 HA PRO A 80 -10.020 -18.319 -27.439 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.920 -18.935 -27.643 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.783 -19.521 -26.446 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.769 -17.707 -25.909 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -12.308 -17.868 -24.956 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.057 -15.745 -26.892 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.954 -15.665 -25.532 1.00 0.00 H new ATOM 1190 N LYS A 81 -10.306 -18.879 -29.794 1.00 0.00 N ATOM 1191 CA LYS A 81 -10.345 -19.128 -31.234 1.00 0.00 C ATOM 1192 C LYS A 81 -11.670 -19.755 -31.680 1.00 0.00 C ATOM 1193 O LYS A 81 -11.977 -19.780 -32.869 1.00 0.00 O ATOM 1194 CB LYS A 81 -9.172 -20.023 -31.637 1.00 0.00 C ATOM 1195 CG LYS A 81 -7.837 -19.544 -31.087 1.00 0.00 C ATOM 1196 CD LYS A 81 -6.714 -19.709 -32.095 1.00 0.00 C ATOM 1197 CE LYS A 81 -6.530 -21.163 -32.509 1.00 0.00 C ATOM 1198 NZ LYS A 81 -5.498 -21.320 -33.569 1.00 0.00 N ATOM 0 H LYS A 81 -9.550 -19.363 -29.309 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.262 -18.165 -31.737 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.360 -21.037 -31.285 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.115 -20.068 -32.725 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.918 -18.495 -30.803 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.597 -20.102 -30.182 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.926 -19.105 -32.977 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.785 -19.333 -31.667 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.246 -21.754 -31.638 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.480 -21.560 -32.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.407 -22.325 -33.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.780 -20.778 -34.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.585 -20.966 -33.219 1.00 0.00 H new ATOM 1212 N ASP A 82 -12.444 -20.254 -30.722 1.00 0.00 N ATOM 1213 CA ASP A 82 -13.766 -20.817 -30.997 1.00 0.00 C ATOM 1214 C ASP A 82 -14.741 -19.710 -31.387 1.00 0.00 C ATOM 1215 O ASP A 82 -15.689 -19.924 -32.142 1.00 0.00 O ATOM 1216 CB ASP A 82 -14.286 -21.544 -29.756 1.00 0.00 C ATOM 1217 CG ASP A 82 -15.607 -22.251 -29.985 1.00 0.00 C ATOM 1218 OD1 ASP A 82 -16.669 -21.599 -29.876 1.00 0.00 O ATOM 1219 OD2 ASP A 82 -15.590 -23.470 -30.252 1.00 0.00 O ATOM 0 H ASP A 82 -12.177 -20.281 -29.738 1.00 0.00 H new ATOM 0 HA ASP A 82 -13.682 -21.523 -31.824 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.543 -22.273 -29.432 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.402 -20.826 -28.945 1.00 0.00 H new ATOM 1224 N VAL A 83 -14.473 -18.519 -30.876 1.00 0.00 N ATOM 1225 CA VAL A 83 -15.342 -17.369 -31.066 1.00 0.00 C ATOM 1226 C VAL A 83 -15.317 -16.894 -32.517 1.00 0.00 C ATOM 1227 O VAL A 83 -16.345 -16.526 -33.083 1.00 0.00 O ATOM 1228 CB VAL A 83 -14.908 -16.226 -30.121 1.00 0.00 C ATOM 1229 CG1 VAL A 83 -15.666 -14.938 -30.386 1.00 0.00 C ATOM 1230 CG2 VAL A 83 -15.088 -16.642 -28.671 1.00 0.00 C ATOM 0 H VAL A 83 -13.644 -18.322 -30.316 1.00 0.00 H new ATOM 0 HA VAL A 83 -16.364 -17.666 -30.829 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.854 -16.033 -30.318 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.324 -14.166 -29.696 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.486 -14.614 -31.411 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.733 -15.107 -30.241 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.778 -15.827 -28.017 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.137 -16.876 -28.487 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.479 -17.522 -28.467 1.00 0.00 H new ATOM 1240 N PHE A 84 -14.141 -16.947 -33.124 1.00 0.00 N ATOM 1241 CA PHE A 84 -13.951 -16.453 -34.481 1.00 0.00 C ATOM 1242 C PHE A 84 -14.178 -17.544 -35.515 1.00 0.00 C ATOM 1243 O PHE A 84 -13.416 -17.687 -36.470 1.00 0.00 O ATOM 1244 CB PHE A 84 -12.569 -15.836 -34.635 1.00 0.00 C ATOM 1245 CG PHE A 84 -12.361 -14.674 -33.715 1.00 0.00 C ATOM 1246 CD1 PHE A 84 -13.128 -13.530 -33.851 1.00 0.00 C ATOM 1247 CD2 PHE A 84 -11.417 -14.732 -32.705 1.00 0.00 C ATOM 1248 CE1 PHE A 84 -12.954 -12.462 -32.999 1.00 0.00 C ATOM 1249 CE2 PHE A 84 -11.241 -13.668 -31.850 1.00 0.00 C ATOM 1250 CZ PHE A 84 -12.010 -12.532 -31.996 1.00 0.00 C ATOM 0 H PHE A 84 -13.298 -17.330 -32.695 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.698 -15.679 -34.659 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.811 -16.594 -34.437 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.432 -15.510 -35.666 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -13.871 -13.474 -34.633 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.813 -15.620 -32.587 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.555 -11.572 -33.116 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.501 -13.722 -31.065 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.873 -11.697 -31.325 1.00 0.00 H new ATOM 1260 N MET A 85 -15.206 -18.343 -35.284 1.00 0.00 N ATOM 1261 CA MET A 85 -15.620 -19.380 -36.224 1.00 0.00 C ATOM 1262 C MET A 85 -15.802 -18.831 -37.646 1.00 0.00 C ATOM 1263 O MET A 85 -15.682 -19.570 -38.622 1.00 0.00 O ATOM 1264 CB MET A 85 -16.930 -20.008 -35.759 1.00 0.00 C ATOM 1265 CG MET A 85 -18.022 -18.985 -35.501 1.00 0.00 C ATOM 1266 SD MET A 85 -19.680 -19.679 -35.625 1.00 0.00 S ATOM 1267 CE MET A 85 -19.753 -20.017 -37.383 1.00 0.00 C ATOM 0 H MET A 85 -15.779 -18.294 -34.442 1.00 0.00 H new ATOM 0 HA MET A 85 -14.828 -20.129 -36.250 1.00 0.00 H new ATOM 0 HB2 MET A 85 -17.274 -20.716 -36.513 1.00 0.00 H new ATOM 0 HB3 MET A 85 -16.750 -20.576 -34.847 1.00 0.00 H new ATOM 0 HG2 MET A 85 -17.886 -18.559 -34.507 1.00 0.00 H new ATOM 0 HG3 MET A 85 -17.922 -18.167 -36.215 1.00 0.00 H new ATOM 0 HE1 MET A 85 -20.794 -20.039 -37.706 1.00 0.00 H new ATOM 0 HE2 MET A 85 -19.220 -19.236 -37.926 1.00 0.00 H new ATOM 0 HE3 MET A 85 -19.289 -20.982 -37.588 1.00 0.00 H new ATOM 1277 N GLY A 86 -16.093 -17.538 -37.755 1.00 0.00 N ATOM 1278 CA GLY A 86 -16.342 -16.932 -39.049 1.00 0.00 C ATOM 1279 C GLY A 86 -15.100 -16.333 -39.690 1.00 0.00 C ATOM 1280 O GLY A 86 -15.198 -15.608 -40.682 1.00 0.00 O ATOM 0 H GLY A 86 -16.161 -16.897 -36.965 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.760 -17.684 -39.719 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.095 -16.152 -38.937 1.00 0.00 H new ATOM 1284 N VAL A 87 -13.931 -16.619 -39.133 1.00 0.00 N ATOM 1285 CA VAL A 87 -12.685 -16.141 -39.717 1.00 0.00 C ATOM 1286 C VAL A 87 -12.022 -17.259 -40.513 1.00 0.00 C ATOM 1287 O VAL A 87 -12.349 -18.434 -40.327 1.00 0.00 O ATOM 1288 CB VAL A 87 -11.698 -15.617 -38.642 1.00 0.00 C ATOM 1289 CG1 VAL A 87 -10.939 -16.763 -37.984 1.00 0.00 C ATOM 1290 CG2 VAL A 87 -10.733 -14.605 -39.241 1.00 0.00 C ATOM 0 H VAL A 87 -13.819 -17.175 -38.285 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.934 -15.308 -40.375 1.00 0.00 H new ATOM 0 HB VAL A 87 -12.282 -15.117 -37.870 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.255 -16.364 -37.235 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.646 -17.440 -37.505 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.372 -17.306 -38.740 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.050 -14.251 -38.468 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.162 -15.076 -40.041 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.294 -13.761 -39.643 1.00 0.00 H new ATOM 1300 N ASP A 88 -11.119 -16.902 -41.413 1.00 0.00 N ATOM 1301 CA ASP A 88 -10.353 -17.897 -42.147 1.00 0.00 C ATOM 1302 C ASP A 88 -9.418 -18.623 -41.186 1.00 0.00 C ATOM 1303 O ASP A 88 -9.683 -19.754 -40.775 1.00 0.00 O ATOM 1304 CB ASP A 88 -9.561 -17.234 -43.278 1.00 0.00 C ATOM 1305 CG ASP A 88 -8.872 -18.233 -44.185 1.00 0.00 C ATOM 1306 OD1 ASP A 88 -9.531 -18.763 -45.103 1.00 0.00 O ATOM 1307 OD2 ASP A 88 -7.665 -18.484 -43.997 1.00 0.00 O ATOM 0 H ASP A 88 -10.899 -15.935 -41.652 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.034 -18.620 -42.595 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.235 -16.617 -43.872 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.814 -16.567 -42.848 1.00 0.00 H new ATOM 1312 N GLU A 89 -8.350 -17.943 -40.798 1.00 0.00 N ATOM 1313 CA GLU A 89 -7.418 -18.453 -39.818 1.00 0.00 C ATOM 1314 C GLU A 89 -6.875 -17.316 -38.973 1.00 0.00 C ATOM 1315 O GLU A 89 -6.310 -16.357 -39.494 1.00 0.00 O ATOM 1316 CB GLU A 89 -6.283 -19.196 -40.484 1.00 0.00 C ATOM 1317 CG GLU A 89 -6.635 -20.628 -40.818 1.00 0.00 C ATOM 1318 CD GLU A 89 -5.465 -21.412 -41.371 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -4.582 -21.805 -40.581 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -5.424 -21.655 -42.596 1.00 0.00 O ATOM 0 H GLU A 89 -8.109 -17.020 -41.158 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.950 -19.153 -39.174 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.000 -18.674 -41.398 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.413 -19.184 -39.828 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.006 -21.124 -39.921 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.447 -20.636 -41.545 1.00 0.00 H new ATOM 1327 N LEU A 90 -7.084 -17.417 -37.676 1.00 0.00 N ATOM 1328 CA LEU A 90 -6.598 -16.416 -36.738 1.00 0.00 C ATOM 1329 C LEU A 90 -5.078 -16.335 -36.768 1.00 0.00 C ATOM 1330 O LEU A 90 -4.382 -17.198 -36.227 1.00 0.00 O ATOM 1331 CB LEU A 90 -7.081 -16.730 -35.326 1.00 0.00 C ATOM 1332 CG LEU A 90 -8.590 -16.620 -35.130 1.00 0.00 C ATOM 1333 CD1 LEU A 90 -8.976 -17.056 -33.730 1.00 0.00 C ATOM 1334 CD2 LEU A 90 -9.053 -15.197 -35.395 1.00 0.00 C ATOM 0 H LEU A 90 -7.591 -18.188 -37.241 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.998 -15.448 -37.039 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.767 -17.741 -35.065 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.587 -16.053 -34.629 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.083 -17.282 -35.842 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.056 -16.971 -33.607 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.673 -18.092 -33.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.477 -16.419 -33.000 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.132 -15.133 -35.252 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.554 -14.517 -34.704 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.806 -14.919 -36.420 1.00 0.00 H new ATOM 1346 N GLN A 91 -4.578 -15.294 -37.409 1.00 0.00 N ATOM 1347 CA GLN A 91 -3.150 -15.092 -37.557 1.00 0.00 C ATOM 1348 C GLN A 91 -2.775 -13.715 -37.039 1.00 0.00 C ATOM 1349 O GLN A 91 -3.609 -12.811 -36.997 1.00 0.00 O ATOM 1350 CB GLN A 91 -2.765 -15.199 -39.028 1.00 0.00 C ATOM 1351 CG GLN A 91 -1.525 -16.029 -39.302 1.00 0.00 C ATOM 1352 CD GLN A 91 -1.290 -16.236 -40.786 1.00 0.00 C ATOM 1353 OE1 GLN A 91 -0.150 -16.350 -41.238 1.00 0.00 O ATOM 1354 NE2 GLN A 91 -2.369 -16.296 -41.558 1.00 0.00 N ATOM 0 H GLN A 91 -5.149 -14.567 -37.840 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.619 -15.854 -36.987 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.602 -15.629 -39.578 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.607 -14.195 -39.422 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.657 -15.537 -38.864 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.623 -16.998 -38.813 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.297 -16.197 -41.146 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.270 -16.441 -42.563 1.00 0.00 H new ATOM 1363 N VAL A 92 -1.526 -13.561 -36.642 1.00 0.00 N ATOM 1364 CA VAL A 92 -1.044 -12.283 -36.136 1.00 0.00 C ATOM 1365 C VAL A 92 -1.023 -11.232 -37.242 1.00 0.00 C ATOM 1366 O VAL A 92 -0.575 -11.493 -38.356 1.00 0.00 O ATOM 1367 CB VAL A 92 0.360 -12.395 -35.502 1.00 0.00 C ATOM 1368 CG1 VAL A 92 0.770 -11.062 -34.899 1.00 0.00 C ATOM 1369 CG2 VAL A 92 0.382 -13.483 -34.441 1.00 0.00 C ATOM 0 H VAL A 92 -0.825 -14.302 -36.659 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.741 -11.975 -35.357 1.00 0.00 H new ATOM 0 HB VAL A 92 1.072 -12.662 -36.283 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.761 -11.153 -34.455 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.790 -10.301 -35.679 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.053 -10.775 -34.130 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.379 -13.547 -34.006 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.340 -13.244 -33.660 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.122 -14.439 -34.895 1.00 0.00 H new ATOM 1379 N GLY A 93 -1.529 -10.055 -36.917 1.00 0.00 N ATOM 1380 CA GLY A 93 -1.600 -8.966 -37.865 1.00 0.00 C ATOM 1381 C GLY A 93 -2.995 -8.811 -38.428 1.00 0.00 C ATOM 1382 O GLY A 93 -3.392 -7.724 -38.837 1.00 0.00 O ATOM 0 H GLY A 93 -1.899 -9.832 -35.993 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.298 -8.039 -37.379 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.896 -9.144 -38.678 1.00 0.00 H new ATOM 1386 N MET A 94 -3.720 -9.924 -38.476 1.00 0.00 N ATOM 1387 CA MET A 94 -5.099 -9.941 -38.973 1.00 0.00 C ATOM 1388 C MET A 94 -6.000 -8.918 -38.290 1.00 0.00 C ATOM 1389 O MET A 94 -5.998 -8.769 -37.067 1.00 0.00 O ATOM 1390 CB MET A 94 -5.688 -11.343 -38.819 1.00 0.00 C ATOM 1391 CG MET A 94 -5.067 -12.361 -39.760 1.00 0.00 C ATOM 1392 SD MET A 94 -6.088 -12.681 -41.206 1.00 0.00 S ATOM 1393 CE MET A 94 -7.456 -13.546 -40.442 1.00 0.00 C ATOM 0 H MET A 94 -3.375 -10.835 -38.175 1.00 0.00 H new ATOM 0 HA MET A 94 -5.057 -9.663 -40.026 1.00 0.00 H new ATOM 0 HB2 MET A 94 -5.550 -11.677 -37.791 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.762 -11.300 -38.998 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.089 -12.003 -40.082 1.00 0.00 H new ATOM 0 HG3 MET A 94 -4.903 -13.295 -39.222 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.757 -14.382 -41.074 1.00 0.00 H new ATOM 0 HE2 MET A 94 -7.149 -13.922 -39.466 1.00 0.00 H new ATOM 0 HE3 MET A 94 -8.296 -12.862 -40.320 1.00 0.00 H new ATOM 1403 N ARG A 95 -6.780 -8.240 -39.117 1.00 0.00 N ATOM 1404 CA ARG A 95 -7.734 -7.246 -38.667 1.00 0.00 C ATOM 1405 C ARG A 95 -9.153 -7.666 -39.001 1.00 0.00 C ATOM 1406 O ARG A 95 -9.424 -8.165 -40.094 1.00 0.00 O ATOM 1407 CB ARG A 95 -7.447 -5.903 -39.314 1.00 0.00 C ATOM 1408 CG ARG A 95 -6.408 -5.088 -38.588 1.00 0.00 C ATOM 1409 CD ARG A 95 -6.464 -3.637 -39.022 1.00 0.00 C ATOM 1410 NE ARG A 95 -7.791 -3.052 -38.805 1.00 0.00 N ATOM 1411 CZ ARG A 95 -8.059 -2.110 -37.898 1.00 0.00 C ATOM 1412 NH1 ARG A 95 -7.101 -1.651 -37.098 1.00 0.00 N ATOM 1413 NH2 ARG A 95 -9.292 -1.629 -37.787 1.00 0.00 N ATOM 0 H ARG A 95 -6.766 -8.368 -40.129 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.634 -7.158 -37.585 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.115 -6.068 -40.339 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.373 -5.330 -39.367 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -6.571 -5.157 -37.512 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.416 -5.494 -38.787 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.720 -3.064 -38.469 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.203 -3.564 -40.078 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.560 -3.387 -39.385 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.153 -2.019 -37.175 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.314 -0.931 -36.408 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.033 -1.979 -38.394 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.498 -0.909 -37.094 1.00 0.00 H new ATOM 1427 N PHE A 96 -10.047 -7.464 -38.050 1.00 0.00 N ATOM 1428 CA PHE A 96 -11.457 -7.781 -38.229 1.00 0.00 C ATOM 1429 C PHE A 96 -12.297 -7.083 -37.169 1.00 0.00 C ATOM 1430 O PHE A 96 -11.759 -6.551 -36.195 1.00 0.00 O ATOM 1431 CB PHE A 96 -11.675 -9.298 -38.160 1.00 0.00 C ATOM 1432 CG PHE A 96 -11.005 -9.963 -36.989 1.00 0.00 C ATOM 1433 CD1 PHE A 96 -11.506 -9.815 -35.704 1.00 0.00 C ATOM 1434 CD2 PHE A 96 -9.869 -10.734 -37.177 1.00 0.00 C ATOM 1435 CE1 PHE A 96 -10.886 -10.424 -34.632 1.00 0.00 C ATOM 1436 CE2 PHE A 96 -9.247 -11.345 -36.109 1.00 0.00 C ATOM 1437 CZ PHE A 96 -9.756 -11.191 -34.835 1.00 0.00 C ATOM 0 H PHE A 96 -9.820 -7.077 -37.134 1.00 0.00 H new ATOM 0 HA PHE A 96 -11.769 -7.426 -39.211 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -12.745 -9.499 -38.114 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -11.305 -9.749 -39.081 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -12.390 -9.217 -35.541 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -9.466 -10.858 -38.171 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -11.284 -10.301 -33.636 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.362 -11.944 -36.269 1.00 0.00 H new ATOM 0 HZ PHE A 96 -9.271 -11.670 -33.998 1.00 0.00 H new ATOM 1447 N LEU A 97 -13.610 -7.075 -37.361 1.00 0.00 N ATOM 1448 CA LEU A 97 -14.509 -6.514 -36.368 1.00 0.00 C ATOM 1449 C LEU A 97 -14.788 -7.538 -35.282 1.00 0.00 C ATOM 1450 O LEU A 97 -14.886 -8.738 -35.546 1.00 0.00 O ATOM 1451 CB LEU A 97 -15.829 -6.049 -36.997 1.00 0.00 C ATOM 1452 CG LEU A 97 -16.799 -5.362 -36.050 1.00 0.00 C ATOM 1453 CD1 LEU A 97 -16.172 -4.099 -35.493 1.00 0.00 C ATOM 1454 CD2 LEU A 97 -18.095 -5.037 -36.771 1.00 0.00 C ATOM 0 H LEU A 97 -14.071 -7.449 -38.191 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.020 -5.643 -35.933 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -15.601 -5.365 -37.814 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -16.327 -6.914 -37.435 1.00 0.00 H new ATOM 0 HG LEU A 97 -17.023 -6.036 -35.223 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -16.874 -3.613 -34.815 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.261 -4.353 -34.951 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -15.930 -3.421 -36.312 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -18.781 -4.545 -36.082 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -17.888 -4.374 -37.611 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.548 -5.958 -37.138 1.00 0.00 H new ATOM 1466 N ALA A 98 -14.906 -7.046 -34.070 1.00 0.00 N ATOM 1467 CA ALA A 98 -15.211 -7.876 -32.928 1.00 0.00 C ATOM 1468 C ALA A 98 -16.329 -7.233 -32.145 1.00 0.00 C ATOM 1469 O ALA A 98 -16.433 -6.014 -32.121 1.00 0.00 O ATOM 1470 CB ALA A 98 -13.981 -8.047 -32.047 1.00 0.00 C ATOM 0 H ALA A 98 -14.793 -6.057 -33.848 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.520 -8.864 -33.269 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.230 -8.675 -31.192 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.184 -8.517 -32.623 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.647 -7.071 -31.695 1.00 0.00 H new ATOM 1476 N GLU A 99 -17.172 -8.022 -31.522 1.00 0.00 N ATOM 1477 CA GLU A 99 -18.206 -7.466 -30.680 1.00 0.00 C ATOM 1478 C GLU A 99 -17.729 -7.516 -29.244 1.00 0.00 C ATOM 1479 O GLU A 99 -17.079 -8.482 -28.842 1.00 0.00 O ATOM 1480 CB GLU A 99 -19.515 -8.234 -30.836 1.00 0.00 C ATOM 1481 CG GLU A 99 -19.968 -8.361 -32.279 1.00 0.00 C ATOM 1482 CD GLU A 99 -21.376 -8.900 -32.401 1.00 0.00 C ATOM 1483 OE1 GLU A 99 -21.580 -10.109 -32.165 1.00 0.00 O ATOM 1484 OE2 GLU A 99 -22.293 -8.112 -32.712 1.00 0.00 O ATOM 0 H GLU A 99 -17.164 -9.040 -31.580 1.00 0.00 H new ATOM 0 HA GLU A 99 -18.399 -6.435 -30.975 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -19.396 -9.231 -30.411 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.293 -7.732 -30.261 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -19.914 -7.385 -32.760 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -19.283 -9.019 -32.814 1.00 0.00 H new ATOM 1491 N THR A 100 -18.055 -6.498 -28.471 1.00 0.00 N ATOM 1492 CA THR A 100 -17.563 -6.395 -27.105 1.00 0.00 C ATOM 1493 C THR A 100 -18.600 -5.673 -26.255 1.00 0.00 C ATOM 1494 O THR A 100 -19.684 -5.341 -26.744 1.00 0.00 O ATOM 1495 CB THR A 100 -16.226 -5.618 -27.001 1.00 0.00 C ATOM 1496 OG1 THR A 100 -16.417 -4.258 -27.401 1.00 0.00 O ATOM 1497 CG2 THR A 100 -15.129 -6.244 -27.854 1.00 0.00 C ATOM 0 H THR A 100 -18.658 -5.729 -28.763 1.00 0.00 H new ATOM 0 HA THR A 100 -17.387 -7.412 -26.753 1.00 0.00 H new ATOM 0 HB THR A 100 -15.908 -5.662 -25.959 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.200 -4.196 -27.987 1.00 0.00 H new ATOM 0 HG21 THR A 100 -14.211 -5.665 -27.749 1.00 0.00 H new ATOM 0 HG22 THR A 100 -14.952 -7.268 -27.525 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.438 -6.247 -28.899 1.00 0.00 H new ATOM 1505 N ASP A 101 -18.274 -5.420 -24.997 1.00 0.00 N ATOM 1506 CA ASP A 101 -19.102 -4.571 -24.153 1.00 0.00 C ATOM 1507 C ASP A 101 -19.128 -3.152 -24.718 1.00 0.00 C ATOM 1508 O ASP A 101 -20.096 -2.410 -24.552 1.00 0.00 O ATOM 1509 CB ASP A 101 -18.557 -4.541 -22.725 1.00 0.00 C ATOM 1510 CG ASP A 101 -18.554 -5.903 -22.053 1.00 0.00 C ATOM 1511 OD1 ASP A 101 -17.662 -6.723 -22.355 1.00 0.00 O ATOM 1512 OD2 ASP A 101 -19.435 -6.153 -21.200 1.00 0.00 O ATOM 0 H ASP A 101 -17.442 -5.790 -24.537 1.00 0.00 H new ATOM 0 HA ASP A 101 -20.113 -4.978 -24.136 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -17.540 -4.149 -22.740 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.156 -3.851 -22.130 1.00 0.00 H new ATOM 1517 N GLN A 102 -18.055 -2.801 -25.421 1.00 0.00 N ATOM 1518 CA GLN A 102 -17.881 -1.479 -25.986 1.00 0.00 C ATOM 1519 C GLN A 102 -18.467 -1.408 -27.393 1.00 0.00 C ATOM 1520 O GLN A 102 -18.076 -0.556 -28.193 1.00 0.00 O ATOM 1521 CB GLN A 102 -16.401 -1.144 -26.062 1.00 0.00 C ATOM 1522 CG GLN A 102 -15.556 -1.657 -24.903 1.00 0.00 C ATOM 1523 CD GLN A 102 -15.910 -1.025 -23.571 1.00 0.00 C ATOM 1524 OE1 GLN A 102 -16.383 0.113 -23.509 1.00 0.00 O ATOM 1525 NE2 GLN A 102 -15.655 -1.755 -22.497 1.00 0.00 N ATOM 0 H GLN A 102 -17.280 -3.435 -25.612 1.00 0.00 H new ATOM 0 HA GLN A 102 -18.399 -0.767 -25.344 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.000 -1.552 -26.990 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -16.293 -0.061 -26.117 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.676 -2.738 -24.827 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.504 -1.467 -25.118 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.264 -2.691 -22.598 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.850 -1.381 -21.568 1.00 0.00 H new ATOM 1534 N GLY A 103 -19.408 -2.294 -27.695 1.00 0.00 N ATOM 1535 CA GLY A 103 -19.906 -2.393 -29.055 1.00 0.00 C ATOM 1536 C GLY A 103 -18.913 -3.084 -29.959 1.00 0.00 C ATOM 1537 O GLY A 103 -17.908 -3.617 -29.485 1.00 0.00 O ATOM 0 H GLY A 103 -19.832 -2.941 -27.030 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -20.847 -2.942 -29.060 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -20.117 -1.395 -29.440 1.00 0.00 H new ATOM 1541 N PRO A 104 -19.181 -3.132 -31.264 1.00 0.00 N ATOM 1542 CA PRO A 104 -18.213 -3.617 -32.237 1.00 0.00 C ATOM 1543 C PRO A 104 -16.934 -2.797 -32.209 1.00 0.00 C ATOM 1544 O PRO A 104 -16.951 -1.569 -32.321 1.00 0.00 O ATOM 1545 CB PRO A 104 -18.908 -3.453 -33.581 1.00 0.00 C ATOM 1546 CG PRO A 104 -20.362 -3.349 -33.258 1.00 0.00 C ATOM 1547 CD PRO A 104 -20.453 -2.750 -31.884 1.00 0.00 C ATOM 0 HA PRO A 104 -17.919 -4.646 -32.031 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -18.555 -2.562 -34.101 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -18.709 -4.303 -34.234 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -20.878 -2.725 -33.988 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -20.836 -4.330 -33.286 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -20.572 -1.667 -31.924 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -21.305 -3.143 -31.329 1.00 0.00 H new ATOM 1555 N VAL A 105 -15.839 -3.495 -32.037 1.00 0.00 N ATOM 1556 CA VAL A 105 -14.522 -2.885 -32.008 1.00 0.00 C ATOM 1557 C VAL A 105 -13.629 -3.522 -33.065 1.00 0.00 C ATOM 1558 O VAL A 105 -13.260 -4.690 -32.950 1.00 0.00 O ATOM 1559 CB VAL A 105 -13.852 -3.038 -30.626 1.00 0.00 C ATOM 1560 CG1 VAL A 105 -12.505 -2.333 -30.592 1.00 0.00 C ATOM 1561 CG2 VAL A 105 -14.751 -2.511 -29.521 1.00 0.00 C ATOM 0 H VAL A 105 -15.830 -4.507 -31.912 1.00 0.00 H new ATOM 0 HA VAL A 105 -14.650 -1.822 -32.214 1.00 0.00 H new ATOM 0 HB VAL A 105 -13.688 -4.102 -30.456 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -12.055 -2.456 -29.607 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.849 -2.765 -31.348 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.645 -1.272 -30.797 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -14.254 -2.632 -28.559 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -14.958 -1.455 -29.693 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -15.688 -3.068 -29.517 1.00 0.00 H new ATOM 1571 N PRO A 106 -13.310 -2.778 -34.134 1.00 0.00 N ATOM 1572 CA PRO A 106 -12.386 -3.241 -35.170 1.00 0.00 C ATOM 1573 C PRO A 106 -10.975 -3.372 -34.613 1.00 0.00 C ATOM 1574 O PRO A 106 -10.303 -2.373 -34.352 1.00 0.00 O ATOM 1575 CB PRO A 106 -12.452 -2.144 -36.243 1.00 0.00 C ATOM 1576 CG PRO A 106 -13.674 -1.352 -35.917 1.00 0.00 C ATOM 1577 CD PRO A 106 -13.828 -1.436 -34.428 1.00 0.00 C ATOM 0 HA PRO A 106 -12.649 -4.224 -35.561 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.560 -1.518 -36.222 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -12.516 -2.574 -37.243 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -13.568 -0.317 -36.242 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -14.550 -1.757 -36.424 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -13.259 -0.660 -33.916 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.868 -1.325 -34.120 1.00 0.00 H new ATOM 1585 N VAL A 107 -10.534 -4.601 -34.422 1.00 0.00 N ATOM 1586 CA VAL A 107 -9.273 -4.859 -33.747 1.00 0.00 C ATOM 1587 C VAL A 107 -8.281 -5.561 -34.656 1.00 0.00 C ATOM 1588 O VAL A 107 -8.600 -5.923 -35.790 1.00 0.00 O ATOM 1589 CB VAL A 107 -9.486 -5.726 -32.487 1.00 0.00 C ATOM 1590 CG1 VAL A 107 -10.075 -4.897 -31.357 1.00 0.00 C ATOM 1591 CG2 VAL A 107 -10.388 -6.912 -32.803 1.00 0.00 C ATOM 0 H VAL A 107 -11.030 -5.439 -34.725 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.869 -3.887 -33.463 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.516 -6.104 -32.164 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.217 -5.527 -30.479 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -9.395 -4.081 -31.112 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -11.036 -4.487 -31.669 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -10.528 -7.513 -31.904 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.355 -6.551 -33.152 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -9.927 -7.523 -33.579 1.00 0.00 H new ATOM 1601 N GLU A 108 -7.081 -5.760 -34.136 1.00 0.00 N ATOM 1602 CA GLU A 108 -6.017 -6.399 -34.879 1.00 0.00 C ATOM 1603 C GLU A 108 -5.294 -7.387 -33.984 1.00 0.00 C ATOM 1604 O GLU A 108 -4.905 -7.054 -32.860 1.00 0.00 O ATOM 1605 CB GLU A 108 -5.032 -5.360 -35.405 1.00 0.00 C ATOM 1606 CG GLU A 108 -3.910 -5.958 -36.235 1.00 0.00 C ATOM 1607 CD GLU A 108 -2.937 -4.911 -36.731 1.00 0.00 C ATOM 1608 OE1 GLU A 108 -3.182 -4.323 -37.805 1.00 0.00 O ATOM 1609 OE2 GLU A 108 -1.928 -4.661 -36.043 1.00 0.00 O ATOM 0 H GLU A 108 -6.821 -5.483 -33.189 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.450 -6.927 -35.729 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.572 -4.631 -36.009 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.602 -4.819 -34.562 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.373 -6.695 -35.638 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.335 -6.488 -37.088 1.00 0.00 H new ATOM 1616 N ILE A 109 -5.134 -8.602 -34.475 1.00 0.00 N ATOM 1617 CA ILE A 109 -4.478 -9.653 -33.720 1.00 0.00 C ATOM 1618 C ILE A 109 -2.983 -9.384 -33.605 1.00 0.00 C ATOM 1619 O ILE A 109 -2.295 -9.223 -34.606 1.00 0.00 O ATOM 1620 CB ILE A 109 -4.725 -11.038 -34.357 1.00 0.00 C ATOM 1621 CG1 ILE A 109 -6.173 -11.478 -34.125 1.00 0.00 C ATOM 1622 CG2 ILE A 109 -3.750 -12.070 -33.819 1.00 0.00 C ATOM 1623 CD1 ILE A 109 -6.497 -12.854 -34.674 1.00 0.00 C ATOM 0 H ILE A 109 -5.452 -8.887 -35.401 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.909 -9.658 -32.719 1.00 0.00 H new ATOM 0 HB ILE A 109 -4.557 -10.956 -35.431 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -6.377 -11.468 -33.054 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.841 -10.749 -34.584 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.948 -13.035 -34.285 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.730 -11.760 -34.046 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.871 -12.157 -32.739 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.541 -13.091 -34.469 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.327 -12.865 -35.751 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.856 -13.596 -34.198 1.00 0.00 H new ATOM 1635 N THR A 110 -2.490 -9.308 -32.386 1.00 0.00 N ATOM 1636 CA THR A 110 -1.080 -9.050 -32.157 1.00 0.00 C ATOM 1637 C THR A 110 -0.339 -10.319 -31.757 1.00 0.00 C ATOM 1638 O THR A 110 0.890 -10.328 -31.673 1.00 0.00 O ATOM 1639 CB THR A 110 -0.899 -7.990 -31.062 1.00 0.00 C ATOM 1640 OG1 THR A 110 -1.626 -8.385 -29.892 1.00 0.00 O ATOM 1641 CG2 THR A 110 -1.395 -6.637 -31.543 1.00 0.00 C ATOM 0 H THR A 110 -3.044 -9.421 -31.537 1.00 0.00 H new ATOM 0 HA THR A 110 -0.660 -8.683 -33.094 1.00 0.00 H new ATOM 0 HB THR A 110 0.161 -7.906 -30.824 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.958 -7.588 -29.429 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.259 -5.898 -30.754 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.830 -6.335 -32.425 1.00 0.00 H new ATOM 0 HG23 THR A 110 -2.453 -6.706 -31.796 1.00 0.00 H new ATOM 1649 N ALA A 111 -1.089 -11.391 -31.533 1.00 0.00 N ATOM 1650 CA ALA A 111 -0.530 -12.642 -31.052 1.00 0.00 C ATOM 1651 C ALA A 111 -1.585 -13.720 -31.053 1.00 0.00 C ATOM 1652 O ALA A 111 -2.785 -13.432 -30.998 1.00 0.00 O ATOM 1653 CB ALA A 111 0.028 -12.481 -29.649 1.00 0.00 C ATOM 0 H ALA A 111 -2.098 -11.415 -31.680 1.00 0.00 H new ATOM 0 HA ALA A 111 0.281 -12.928 -31.722 1.00 0.00 H new ATOM 0 HB1 ALA A 111 0.441 -13.431 -29.310 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.813 -11.725 -29.654 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -0.769 -12.171 -28.974 1.00 0.00 H new ATOM 1659 N VAL A 112 -1.133 -14.957 -31.107 1.00 0.00 N ATOM 1660 CA VAL A 112 -2.023 -16.097 -31.161 1.00 0.00 C ATOM 1661 C VAL A 112 -1.529 -17.196 -30.228 1.00 0.00 C ATOM 1662 O VAL A 112 -0.549 -17.887 -30.513 1.00 0.00 O ATOM 1663 CB VAL A 112 -2.152 -16.635 -32.603 1.00 0.00 C ATOM 1664 CG1 VAL A 112 -3.045 -17.868 -32.652 1.00 0.00 C ATOM 1665 CG2 VAL A 112 -2.701 -15.549 -33.514 1.00 0.00 C ATOM 0 H VAL A 112 -0.142 -15.199 -31.115 1.00 0.00 H new ATOM 0 HA VAL A 112 -3.010 -15.772 -30.833 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.160 -16.926 -32.950 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.117 -18.224 -33.680 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.618 -18.651 -32.025 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.039 -17.612 -32.286 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -2.789 -15.936 -34.529 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.683 -15.237 -33.158 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -2.025 -14.694 -33.509 1.00 0.00 H new ATOM 1675 N GLU A 113 -2.202 -17.319 -29.098 1.00 0.00 N ATOM 1676 CA GLU A 113 -1.881 -18.338 -28.107 1.00 0.00 C ATOM 1677 C GLU A 113 -2.376 -19.704 -28.558 1.00 0.00 C ATOM 1678 O GLU A 113 -2.756 -19.887 -29.715 1.00 0.00 O ATOM 1679 CB GLU A 113 -2.512 -17.987 -26.764 1.00 0.00 C ATOM 1680 CG GLU A 113 -2.022 -16.675 -26.193 1.00 0.00 C ATOM 1681 CD GLU A 113 -0.556 -16.723 -25.829 1.00 0.00 C ATOM 1682 OE1 GLU A 113 -0.230 -17.263 -24.749 1.00 0.00 O ATOM 1683 OE2 GLU A 113 0.276 -16.240 -26.619 1.00 0.00 O ATOM 0 H GLU A 113 -2.985 -16.719 -28.839 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.797 -18.374 -27.999 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -3.595 -17.942 -26.881 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.301 -18.785 -26.052 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.188 -15.880 -26.920 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.607 -16.425 -25.308 1.00 0.00 H new ATOM 1690 N ASP A 114 -2.385 -20.649 -27.632 1.00 0.00 N ATOM 1691 CA ASP A 114 -2.771 -22.016 -27.941 1.00 0.00 C ATOM 1692 C ASP A 114 -4.212 -22.096 -28.445 1.00 0.00 C ATOM 1693 O ASP A 114 -4.466 -22.594 -29.541 1.00 0.00 O ATOM 1694 CB ASP A 114 -2.610 -22.857 -26.668 1.00 0.00 C ATOM 1695 CG ASP A 114 -3.282 -24.212 -26.747 1.00 0.00 C ATOM 1696 OD1 ASP A 114 -2.697 -25.140 -27.342 1.00 0.00 O ATOM 1697 OD2 ASP A 114 -4.387 -24.361 -26.185 1.00 0.00 O ATOM 0 H ASP A 114 -2.128 -20.494 -26.657 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.131 -22.396 -28.738 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -1.548 -22.999 -26.468 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -3.022 -22.305 -25.823 1.00 0.00 H new ATOM 1702 N ASP A 115 -5.151 -21.593 -27.655 1.00 0.00 N ATOM 1703 CA ASP A 115 -6.539 -21.561 -28.105 1.00 0.00 C ATOM 1704 C ASP A 115 -7.174 -20.174 -27.979 1.00 0.00 C ATOM 1705 O ASP A 115 -8.397 -20.038 -28.028 1.00 0.00 O ATOM 1706 CB ASP A 115 -7.339 -22.579 -27.296 1.00 0.00 C ATOM 1707 CG ASP A 115 -8.695 -22.897 -27.884 1.00 0.00 C ATOM 1708 OD1 ASP A 115 -8.754 -23.448 -29.003 1.00 0.00 O ATOM 1709 OD2 ASP A 115 -9.710 -22.607 -27.218 1.00 0.00 O ATOM 0 H ASP A 115 -4.986 -21.211 -26.724 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.553 -21.812 -29.166 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.762 -23.501 -27.218 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.473 -22.200 -26.283 1.00 0.00 H new ATOM 1714 N HIS A 116 -6.367 -19.131 -27.830 1.00 0.00 N ATOM 1715 CA HIS A 116 -6.922 -17.783 -27.806 1.00 0.00 C ATOM 1716 C HIS A 116 -5.980 -16.780 -28.432 1.00 0.00 C ATOM 1717 O HIS A 116 -4.768 -16.909 -28.340 1.00 0.00 O ATOM 1718 CB HIS A 116 -7.290 -17.353 -26.385 1.00 0.00 C ATOM 1719 CG HIS A 116 -6.137 -17.231 -25.426 1.00 0.00 C ATOM 1720 ND1 HIS A 116 -5.655 -18.290 -24.688 1.00 0.00 N ATOM 1721 CD2 HIS A 116 -5.387 -16.160 -25.069 1.00 0.00 C ATOM 1722 CE1 HIS A 116 -4.663 -17.879 -23.920 1.00 0.00 C ATOM 1723 NE2 HIS A 116 -4.484 -16.590 -24.133 1.00 0.00 N ATOM 0 H HIS A 116 -5.354 -19.187 -27.727 1.00 0.00 H new ATOM 0 HA HIS A 116 -7.834 -17.807 -28.402 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -7.801 -16.391 -26.436 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.003 -18.071 -25.980 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -6.010 -19.245 -24.729 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.483 -15.155 -25.451 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.096 -18.492 -23.235 1.00 0.00 H new ATOM 1732 N VAL A 117 -6.556 -15.790 -29.071 1.00 0.00 N ATOM 1733 CA VAL A 117 -5.788 -14.734 -29.696 1.00 0.00 C ATOM 1734 C VAL A 117 -5.864 -13.470 -28.857 1.00 0.00 C ATOM 1735 O VAL A 117 -6.684 -13.373 -27.940 1.00 0.00 O ATOM 1736 CB VAL A 117 -6.286 -14.443 -31.120 1.00 0.00 C ATOM 1737 CG1 VAL A 117 -6.078 -15.662 -31.996 1.00 0.00 C ATOM 1738 CG2 VAL A 117 -7.748 -14.040 -31.109 1.00 0.00 C ATOM 0 H VAL A 117 -7.566 -15.692 -29.174 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.753 -15.068 -29.761 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.712 -13.611 -31.527 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.433 -15.450 -33.005 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.017 -15.909 -32.029 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.634 -16.504 -31.585 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.078 -13.839 -32.128 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.345 -14.848 -30.687 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.873 -13.142 -30.504 1.00 0.00 H new ATOM 1748 N VAL A 118 -5.020 -12.511 -29.166 1.00 0.00 N ATOM 1749 CA VAL A 118 -4.947 -11.286 -28.397 1.00 0.00 C ATOM 1750 C VAL A 118 -4.991 -10.107 -29.352 1.00 0.00 C ATOM 1751 O VAL A 118 -4.143 -9.998 -30.239 1.00 0.00 O ATOM 1752 CB VAL A 118 -3.646 -11.217 -27.559 1.00 0.00 C ATOM 1753 CG1 VAL A 118 -3.615 -9.958 -26.705 1.00 0.00 C ATOM 1754 CG2 VAL A 118 -3.482 -12.452 -26.687 1.00 0.00 C ATOM 0 H VAL A 118 -4.369 -12.556 -29.950 1.00 0.00 H new ATOM 0 HA VAL A 118 -5.792 -11.259 -27.709 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.809 -11.183 -28.257 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.692 -9.933 -26.126 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.663 -9.080 -27.349 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.468 -9.957 -26.027 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.559 -12.372 -26.112 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.329 -12.531 -26.005 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -3.440 -13.340 -27.318 1.00 0.00 H new ATOM 1764 N VAL A 119 -5.994 -9.252 -29.216 1.00 0.00 N ATOM 1765 CA VAL A 119 -6.093 -8.070 -30.061 1.00 0.00 C ATOM 1766 C VAL A 119 -5.932 -6.802 -29.239 1.00 0.00 C ATOM 1767 O VAL A 119 -6.601 -6.629 -28.226 1.00 0.00 O ATOM 1768 CB VAL A 119 -7.442 -8.009 -30.805 1.00 0.00 C ATOM 1769 CG1 VAL A 119 -7.462 -8.999 -31.947 1.00 0.00 C ATOM 1770 CG2 VAL A 119 -8.600 -8.270 -29.856 1.00 0.00 C ATOM 0 H VAL A 119 -6.746 -9.353 -28.534 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.289 -8.141 -30.793 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.558 -7.005 -31.212 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -8.422 -8.942 -32.461 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.661 -8.763 -32.647 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -7.318 -10.007 -31.557 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -9.540 -8.221 -30.406 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.491 -9.259 -29.412 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -8.602 -7.517 -29.068 1.00 0.00 H new ATOM 1780 N ASP A 120 -5.084 -5.900 -29.711 1.00 0.00 N ATOM 1781 CA ASP A 120 -4.762 -4.678 -28.967 1.00 0.00 C ATOM 1782 C ASP A 120 -5.331 -3.449 -29.663 1.00 0.00 C ATOM 1783 O ASP A 120 -5.434 -3.411 -30.892 1.00 0.00 O ATOM 1784 CB ASP A 120 -3.243 -4.484 -28.827 1.00 0.00 C ATOM 1785 CG ASP A 120 -2.577 -5.446 -27.858 1.00 0.00 C ATOM 1786 OD1 ASP A 120 -2.589 -5.188 -26.638 1.00 0.00 O ATOM 1787 OD2 ASP A 120 -2.003 -6.450 -28.319 1.00 0.00 O ATOM 0 H ASP A 120 -4.603 -5.986 -30.606 1.00 0.00 H new ATOM 0 HA ASP A 120 -5.208 -4.791 -27.979 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -2.782 -4.598 -29.808 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -3.047 -3.463 -28.499 1.00 0.00 H new ATOM 1915 N LEU A 130 5.441 3.147 -10.893 1.00 0.00 N ATOM 1916 CA LEU A 130 4.684 3.152 -9.648 1.00 0.00 C ATOM 1917 C LEU A 130 5.565 2.936 -8.424 1.00 0.00 C ATOM 1918 O LEU A 130 6.618 2.295 -8.493 1.00 0.00 O ATOM 1919 CB LEU A 130 3.611 2.071 -9.681 1.00 0.00 C ATOM 1920 CG LEU A 130 2.400 2.378 -10.554 1.00 0.00 C ATOM 1921 CD1 LEU A 130 1.478 1.178 -10.593 1.00 0.00 C ATOM 1922 CD2 LEU A 130 1.662 3.599 -10.030 1.00 0.00 C ATOM 0 HA LEU A 130 4.230 4.139 -9.564 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.064 1.144 -10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.267 1.893 -8.662 1.00 0.00 H new ATOM 0 HG LEU A 130 2.741 2.595 -11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.614 1.403 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.012 0.322 -11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.143 0.943 -9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.800 3.804 -10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.325 3.411 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.331 4.460 -10.038 1.00 0.00 H new ATOM 1934 N LYS A 131 5.103 3.481 -7.308 1.00 0.00 N ATOM 1935 CA LYS A 131 5.746 3.305 -6.018 1.00 0.00 C ATOM 1936 C LYS A 131 4.863 2.469 -5.101 1.00 0.00 C ATOM 1937 O LYS A 131 3.660 2.718 -4.980 1.00 0.00 O ATOM 1938 CB LYS A 131 6.029 4.667 -5.393 1.00 0.00 C ATOM 1939 CG LYS A 131 7.211 5.374 -6.030 1.00 0.00 C ATOM 1940 CD LYS A 131 7.019 6.882 -6.071 1.00 0.00 C ATOM 1941 CE LYS A 131 6.806 7.480 -4.691 1.00 0.00 C ATOM 1942 NZ LYS A 131 6.660 8.960 -4.748 1.00 0.00 N ATOM 0 H LYS A 131 4.265 4.062 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 131 6.691 2.780 -6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 131 5.143 5.295 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.219 4.540 -4.327 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.117 5.139 -5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.354 4.999 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.892 7.344 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.162 7.119 -6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 131 5.915 7.044 -4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.648 7.222 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.062 9.382 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.164 9.327 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 5.652 9.207 -4.816 1.00 0.00 H new ATOM 1956 N PHE A 132 5.457 1.477 -4.462 1.00 0.00 N ATOM 1957 CA PHE A 132 4.700 0.547 -3.636 1.00 0.00 C ATOM 1958 C PHE A 132 5.205 0.561 -2.200 1.00 0.00 C ATOM 1959 O PHE A 132 6.400 0.691 -1.958 1.00 0.00 O ATOM 1960 CB PHE A 132 4.822 -0.885 -4.172 1.00 0.00 C ATOM 1961 CG PHE A 132 4.759 -1.003 -5.664 1.00 0.00 C ATOM 1962 CD1 PHE A 132 3.580 -0.773 -6.347 1.00 0.00 C ATOM 1963 CD2 PHE A 132 5.887 -1.359 -6.381 1.00 0.00 C ATOM 1964 CE1 PHE A 132 3.529 -0.893 -7.720 1.00 0.00 C ATOM 1965 CE2 PHE A 132 5.842 -1.478 -7.752 1.00 0.00 C ATOM 1966 CZ PHE A 132 4.662 -1.245 -8.423 1.00 0.00 C ATOM 0 H PHE A 132 6.460 1.293 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 132 3.658 0.867 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 132 5.766 -1.308 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 132 4.025 -1.489 -3.739 1.00 0.00 H new ATOM 0 HD1 PHE A 132 2.690 -0.497 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 132 6.814 -1.546 -5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 132 2.602 -0.711 -8.244 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.731 -1.754 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 132 4.624 -1.338 -9.498 1.00 0.00 H new ATOM 1976 N ASN A 133 4.291 0.451 -1.252 1.00 0.00 N ATOM 1977 CA ASN A 133 4.655 0.180 0.133 1.00 0.00 C ATOM 1978 C ASN A 133 4.240 -1.241 0.455 1.00 0.00 C ATOM 1979 O ASN A 133 3.048 -1.521 0.559 1.00 0.00 O ATOM 1980 CB ASN A 133 3.951 1.138 1.106 1.00 0.00 C ATOM 1981 CG ASN A 133 4.552 2.525 1.143 1.00 0.00 C ATOM 1982 OD1 ASN A 133 4.622 3.153 2.199 1.00 0.00 O ATOM 1983 ND2 ASN A 133 4.960 3.026 -0.004 1.00 0.00 N ATOM 0 H ASN A 133 3.288 0.545 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 133 5.730 0.321 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 133 2.900 1.215 0.827 1.00 0.00 H new ATOM 0 HB3 ASN A 133 3.984 0.711 2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 133 5.351 3.967 -0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 133 4.885 2.473 -0.858 1.00 0.00 H new ATOM 1990 N VAL A 134 5.194 -2.149 0.581 1.00 0.00 N ATOM 1991 CA VAL A 134 4.847 -3.543 0.801 1.00 0.00 C ATOM 1992 C VAL A 134 4.979 -3.927 2.266 1.00 0.00 C ATOM 1993 O VAL A 134 5.942 -3.557 2.941 1.00 0.00 O ATOM 1994 CB VAL A 134 5.715 -4.501 -0.028 1.00 0.00 C ATOM 1995 CG1 VAL A 134 5.067 -5.868 -0.080 1.00 0.00 C ATOM 1996 CG2 VAL A 134 5.962 -3.969 -1.432 1.00 0.00 C ATOM 0 H VAL A 134 6.194 -1.953 0.536 1.00 0.00 H new ATOM 0 HA VAL A 134 3.809 -3.640 0.483 1.00 0.00 H new ATOM 0 HB VAL A 134 6.686 -4.583 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 134 5.688 -6.543 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 134 4.964 -6.261 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 134 4.082 -5.786 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.580 -4.676 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 134 5.009 -3.841 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.474 -3.009 -1.372 1.00 0.00 H new ATOM 2006 N GLU A 135 3.995 -4.679 2.729 1.00 0.00 N ATOM 2007 CA GLU A 135 3.918 -5.145 4.105 1.00 0.00 C ATOM 2008 C GLU A 135 3.561 -6.632 4.121 1.00 0.00 C ATOM 2009 O GLU A 135 2.398 -7.000 3.998 1.00 0.00 O ATOM 2010 CB GLU A 135 2.849 -4.348 4.859 1.00 0.00 C ATOM 2011 CG GLU A 135 3.042 -2.841 4.766 1.00 0.00 C ATOM 2012 CD GLU A 135 1.971 -2.052 5.492 1.00 0.00 C ATOM 2013 OE1 GLU A 135 2.134 -1.798 6.706 1.00 0.00 O ATOM 2014 OE2 GLU A 135 0.973 -1.657 4.852 1.00 0.00 O ATOM 0 H GLU A 135 3.214 -4.988 2.151 1.00 0.00 H new ATOM 0 HA GLU A 135 4.883 -5.000 4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.867 -4.606 4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.858 -4.644 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.017 -2.581 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.051 -2.547 3.716 1.00 0.00 H new ATOM 2021 N VAL A 136 4.561 -7.484 4.264 1.00 0.00 N ATOM 2022 CA VAL A 136 4.340 -8.926 4.212 1.00 0.00 C ATOM 2023 C VAL A 136 3.766 -9.459 5.531 1.00 0.00 C ATOM 2024 O VAL A 136 4.409 -9.408 6.582 1.00 0.00 O ATOM 2025 CB VAL A 136 5.640 -9.674 3.858 1.00 0.00 C ATOM 2026 CG1 VAL A 136 6.768 -9.270 4.783 1.00 0.00 C ATOM 2027 CG2 VAL A 136 5.429 -11.179 3.886 1.00 0.00 C ATOM 0 H VAL A 136 5.531 -7.208 4.417 1.00 0.00 H new ATOM 0 HA VAL A 136 3.607 -9.109 3.426 1.00 0.00 H new ATOM 0 HB VAL A 136 5.920 -9.393 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.673 -9.813 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 136 6.946 -8.198 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.498 -9.508 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.362 -11.682 3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.112 -11.483 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 136 4.661 -11.452 3.162 1.00 0.00 H new ATOM 2037 N VAL A 137 2.537 -9.949 5.455 1.00 0.00 N ATOM 2038 CA VAL A 137 1.831 -10.479 6.619 1.00 0.00 C ATOM 2039 C VAL A 137 2.399 -11.811 7.087 1.00 0.00 C ATOM 2040 O VAL A 137 2.697 -11.975 8.270 1.00 0.00 O ATOM 2041 CB VAL A 137 0.336 -10.673 6.313 1.00 0.00 C ATOM 2042 CG1 VAL A 137 -0.463 -10.883 7.590 1.00 0.00 C ATOM 2043 CG2 VAL A 137 -0.189 -9.492 5.525 1.00 0.00 C ATOM 0 H VAL A 137 2.000 -9.992 4.589 1.00 0.00 H new ATOM 0 HA VAL A 137 1.964 -9.743 7.412 1.00 0.00 H new ATOM 0 HB VAL A 137 0.219 -11.572 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.516 -11.017 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -0.096 -11.769 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -0.350 -10.013 8.237 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.248 -9.638 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.058 -8.579 6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.360 -9.407 4.587 1.00 0.00 H new ATOM 2053 N ALA A 138 2.559 -12.754 6.171 1.00 0.00 N ATOM 2054 CA ALA A 138 2.941 -14.110 6.532 1.00 0.00 C ATOM 2055 C ALA A 138 3.461 -14.863 5.315 1.00 0.00 C ATOM 2056 O ALA A 138 3.104 -14.537 4.186 1.00 0.00 O ATOM 2057 CB ALA A 138 1.747 -14.846 7.119 1.00 0.00 C ATOM 0 H ALA A 138 2.430 -12.604 5.170 1.00 0.00 H new ATOM 0 HA ALA A 138 3.736 -14.058 7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.041 -15.861 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.398 -14.322 8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.944 -14.883 6.382 1.00 0.00 H new ATOM 2063 N ILE A 139 4.299 -15.861 5.550 1.00 0.00 N ATOM 2064 CA ILE A 139 4.837 -16.695 4.481 1.00 0.00 C ATOM 2065 C ILE A 139 4.713 -18.159 4.877 1.00 0.00 C ATOM 2066 O ILE A 139 4.953 -18.512 6.031 1.00 0.00 O ATOM 2067 CB ILE A 139 6.322 -16.365 4.191 1.00 0.00 C ATOM 2068 CG1 ILE A 139 6.495 -14.883 3.878 1.00 0.00 C ATOM 2069 CG2 ILE A 139 6.855 -17.198 3.032 1.00 0.00 C ATOM 2070 CD1 ILE A 139 7.940 -14.460 3.776 1.00 0.00 C ATOM 0 H ILE A 139 4.625 -16.117 6.482 1.00 0.00 H new ATOM 0 HA ILE A 139 4.265 -16.496 3.575 1.00 0.00 H new ATOM 0 HB ILE A 139 6.892 -16.609 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 139 5.990 -14.655 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 139 6.005 -14.295 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 139 7.900 -16.944 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 139 6.776 -18.257 3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 139 6.271 -16.990 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 139 7.992 -13.395 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 139 8.444 -14.657 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 139 8.429 -15.023 2.981 1.00 0.00 H new ATOM 2082 N ARG A 140 4.337 -19.001 3.930 1.00 0.00 N ATOM 2083 CA ARG A 140 4.106 -20.413 4.190 1.00 0.00 C ATOM 2084 C ARG A 140 4.437 -21.223 2.943 1.00 0.00 C ATOM 2085 O ARG A 140 4.163 -20.791 1.832 1.00 0.00 O ATOM 2086 CB ARG A 140 2.637 -20.636 4.578 1.00 0.00 C ATOM 2087 CG ARG A 140 2.220 -22.097 4.608 1.00 0.00 C ATOM 2088 CD ARG A 140 0.715 -22.247 4.755 1.00 0.00 C ATOM 2089 NE ARG A 140 0.234 -21.818 6.069 1.00 0.00 N ATOM 2090 CZ ARG A 140 -0.931 -21.199 6.277 1.00 0.00 C ATOM 2091 NH1 ARG A 140 -1.723 -20.887 5.253 1.00 0.00 N ATOM 2092 NH2 ARG A 140 -1.305 -20.889 7.515 1.00 0.00 N ATOM 0 H ARG A 140 4.183 -18.726 2.960 1.00 0.00 H new ATOM 0 HA ARG A 140 4.746 -20.737 5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 140 2.461 -20.198 5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 140 2.001 -20.102 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 140 2.547 -22.588 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 140 2.719 -22.601 5.436 1.00 0.00 H new ATOM 0 HD2 ARG A 140 0.218 -21.662 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 140 0.440 -23.289 4.593 1.00 0.00 H new ATOM 0 HE ARG A 140 0.827 -22.004 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -1.442 -21.121 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -2.611 -20.414 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -0.702 -21.124 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -2.194 -20.416 7.676 1.00 0.00 H new ATOM 2106 N GLU A 141 5.041 -22.380 3.108 1.00 0.00 N ATOM 2107 CA GLU A 141 5.243 -23.254 1.970 1.00 0.00 C ATOM 2108 C GLU A 141 4.009 -24.124 1.800 1.00 0.00 C ATOM 2109 O GLU A 141 3.545 -24.763 2.746 1.00 0.00 O ATOM 2110 CB GLU A 141 6.526 -24.076 2.105 1.00 0.00 C ATOM 2111 CG GLU A 141 6.674 -24.805 3.428 1.00 0.00 C ATOM 2112 CD GLU A 141 8.072 -25.354 3.620 1.00 0.00 C ATOM 2113 OE1 GLU A 141 8.516 -26.174 2.787 1.00 0.00 O ATOM 2114 OE2 GLU A 141 8.742 -24.962 4.600 1.00 0.00 O ATOM 0 H GLU A 141 5.394 -22.733 3.997 1.00 0.00 H new ATOM 0 HA GLU A 141 5.376 -22.655 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 141 6.560 -24.807 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 141 7.382 -23.414 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.436 -24.124 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.954 -25.622 3.474 1.00 0.00 H new ATOM 2121 N ALA A 142 3.461 -24.094 0.594 1.00 0.00 N ATOM 2122 CA ALA A 142 2.156 -24.673 0.324 1.00 0.00 C ATOM 2123 C ALA A 142 2.152 -26.184 0.465 1.00 0.00 C ATOM 2124 O ALA A 142 3.192 -26.835 0.476 1.00 0.00 O ATOM 2125 CB ALA A 142 1.686 -24.272 -1.058 1.00 0.00 C ATOM 0 H ALA A 142 3.906 -23.670 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 142 1.466 -24.281 1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 142 0.707 -24.711 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 142 1.615 -23.186 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.397 -24.630 -1.802 1.00 0.00 H new ATOM 2131 N THR A 143 0.950 -26.723 0.514 1.00 0.00 N ATOM 2132 CA THR A 143 0.717 -28.122 0.852 1.00 0.00 C ATOM 2133 C THR A 143 0.914 -29.049 -0.339 1.00 0.00 C ATOM 2134 O THR A 143 0.402 -30.168 -0.347 1.00 0.00 O ATOM 2135 CB THR A 143 -0.714 -28.293 1.376 1.00 0.00 C ATOM 2136 OG1 THR A 143 -1.633 -27.664 0.470 1.00 0.00 O ATOM 2137 CG2 THR A 143 -0.859 -27.668 2.745 1.00 0.00 C ATOM 0 H THR A 143 0.096 -26.201 0.319 1.00 0.00 H new ATOM 0 HA THR A 143 1.447 -28.393 1.615 1.00 0.00 H new ATOM 0 HB THR A 143 -0.932 -29.358 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 143 -1.647 -26.698 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 143 -1.881 -27.800 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.170 -28.149 3.439 1.00 0.00 H new ATOM 0 HG23 THR A 143 -0.630 -26.604 2.685 1.00 0.00 H new ATOM 2145 N GLU A 144 1.651 -28.567 -1.334 1.00 0.00 N ATOM 2146 CA GLU A 144 1.847 -29.270 -2.607 1.00 0.00 C ATOM 2147 C GLU A 144 0.548 -29.340 -3.409 1.00 0.00 C ATOM 2148 O GLU A 144 0.567 -29.203 -4.627 1.00 0.00 O ATOM 2149 CB GLU A 144 2.430 -30.670 -2.404 1.00 0.00 C ATOM 2150 CG GLU A 144 3.775 -30.664 -1.698 1.00 0.00 C ATOM 2151 CD GLU A 144 4.422 -32.030 -1.654 1.00 0.00 C ATOM 2152 OE1 GLU A 144 3.997 -32.872 -0.837 1.00 0.00 O ATOM 2153 OE2 GLU A 144 5.359 -32.273 -2.444 1.00 0.00 O ATOM 0 H GLU A 144 2.135 -27.671 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 144 2.572 -28.691 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 144 1.726 -31.269 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 144 2.539 -31.155 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 144 4.443 -29.967 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 144 3.644 -30.297 -0.680 1.00 0.00 H new ATOM 2160 N GLU A 145 -0.578 -29.534 -2.727 1.00 0.00 N ATOM 2161 CA GLU A 145 -1.882 -29.528 -3.381 1.00 0.00 C ATOM 2162 C GLU A 145 -2.157 -28.149 -3.952 1.00 0.00 C ATOM 2163 O GLU A 145 -2.581 -28.007 -5.096 1.00 0.00 O ATOM 2164 CB GLU A 145 -2.983 -29.908 -2.393 1.00 0.00 C ATOM 2165 CG GLU A 145 -2.838 -31.311 -1.844 1.00 0.00 C ATOM 2166 CD GLU A 145 -3.861 -31.626 -0.774 1.00 0.00 C ATOM 2167 OE1 GLU A 145 -3.644 -31.244 0.394 1.00 0.00 O ATOM 2168 OE2 GLU A 145 -4.888 -32.260 -1.094 1.00 0.00 O ATOM 0 H GLU A 145 -0.613 -29.697 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.873 -30.262 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -2.979 -29.199 -1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -3.951 -29.817 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -2.937 -32.028 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -1.837 -31.434 -1.432 1.00 0.00 H new ATOM 2175 N GLU A 146 -1.879 -27.137 -3.144 1.00 0.00 N ATOM 2176 CA GLU A 146 -2.026 -25.750 -3.556 1.00 0.00 C ATOM 2177 C GLU A 146 -1.143 -25.455 -4.764 1.00 0.00 C ATOM 2178 O GLU A 146 -1.517 -24.693 -5.651 1.00 0.00 O ATOM 2179 CB GLU A 146 -1.672 -24.838 -2.381 1.00 0.00 C ATOM 2180 CG GLU A 146 -2.589 -25.044 -1.190 1.00 0.00 C ATOM 2181 CD GLU A 146 -2.102 -24.347 0.056 1.00 0.00 C ATOM 2182 OE1 GLU A 146 -1.262 -24.941 0.766 1.00 0.00 O ATOM 2183 OE2 GLU A 146 -2.572 -23.222 0.341 1.00 0.00 O ATOM 0 H GLU A 146 -1.546 -27.254 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 146 -3.059 -25.564 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.641 -25.024 -2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -1.727 -23.798 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -3.585 -24.679 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -2.682 -26.111 -0.990 1.00 0.00 H new ATOM 2190 N LEU A 147 0.021 -26.092 -4.798 1.00 0.00 N ATOM 2191 CA LEU A 147 0.961 -25.938 -5.900 1.00 0.00 C ATOM 2192 C LEU A 147 0.470 -26.683 -7.134 1.00 0.00 C ATOM 2193 O LEU A 147 0.518 -26.168 -8.251 1.00 0.00 O ATOM 2194 CB LEU A 147 2.322 -26.481 -5.477 1.00 0.00 C ATOM 2195 CG LEU A 147 2.803 -25.974 -4.124 1.00 0.00 C ATOM 2196 CD1 LEU A 147 4.127 -26.608 -3.750 1.00 0.00 C ATOM 2197 CD2 LEU A 147 2.911 -24.462 -4.138 1.00 0.00 C ATOM 0 H LEU A 147 0.338 -26.727 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 147 1.045 -24.880 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.273 -27.570 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.059 -26.215 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 147 2.072 -26.260 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 147 4.450 -26.230 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.010 -27.690 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 147 4.875 -26.360 -4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 147 3.256 -24.113 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 147 3.621 -24.155 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 147 1.934 -24.029 -4.353 1.00 0.00 H new ATOM 2209 N ALA A 148 -0.001 -27.901 -6.907 1.00 0.00 N ATOM 2210 CA ALA A 148 -0.512 -28.760 -7.962 1.00 0.00 C ATOM 2211 C ALA A 148 -1.738 -28.145 -8.635 1.00 0.00 C ATOM 2212 O ALA A 148 -1.995 -28.381 -9.815 1.00 0.00 O ATOM 2213 CB ALA A 148 -0.856 -30.128 -7.385 1.00 0.00 C ATOM 0 H ALA A 148 -0.039 -28.322 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 148 0.262 -28.870 -8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -1.239 -30.771 -8.177 1.00 0.00 H new ATOM 0 HB2 ALA A 148 0.039 -30.577 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -1.614 -30.016 -6.610 1.00 0.00 H new ATOM 2219 N HIS A 149 -2.494 -27.359 -7.881 1.00 0.00 N ATOM 2220 CA HIS A 149 -3.700 -26.733 -8.411 1.00 0.00 C ATOM 2221 C HIS A 149 -3.403 -25.322 -8.905 1.00 0.00 C ATOM 2222 O HIS A 149 -4.023 -24.843 -9.855 1.00 0.00 O ATOM 2223 CB HIS A 149 -4.811 -26.708 -7.355 1.00 0.00 C ATOM 2224 CG HIS A 149 -5.134 -28.062 -6.799 1.00 0.00 C ATOM 2225 ND1 HIS A 149 -5.501 -28.271 -5.488 1.00 0.00 N ATOM 2226 CD2 HIS A 149 -5.116 -29.284 -7.380 1.00 0.00 C ATOM 2227 CE1 HIS A 149 -5.689 -29.561 -5.287 1.00 0.00 C ATOM 2228 NE2 HIS A 149 -5.462 -30.198 -6.419 1.00 0.00 N ATOM 0 H HIS A 149 -2.296 -27.140 -6.905 1.00 0.00 H new ATOM 0 HA HIS A 149 -4.045 -27.328 -9.256 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -4.512 -26.050 -6.539 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -5.711 -26.280 -7.796 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -4.874 -29.499 -8.410 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -5.980 -30.018 -4.353 1.00 0.00 H new ATOM 0 HE2 HIS A 149 -5.532 -31.206 -6.557 1.00 0.00 H new ATOM 2237 N GLY A 150 -2.457 -24.658 -8.255 1.00 0.00 N ATOM 2238 CA GLY A 150 -2.010 -23.360 -8.722 1.00 0.00 C ATOM 2239 C GLY A 150 -2.605 -22.198 -7.948 1.00 0.00 C ATOM 2240 O GLY A 150 -2.492 -21.051 -8.375 1.00 0.00 O ATOM 0 H GLY A 150 -1.991 -24.995 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -0.923 -23.313 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -2.268 -23.254 -9.776 1.00 0.00 H new ATOM 2244 N HIS A 151 -3.224 -22.473 -6.807 1.00 0.00 N ATOM 2245 CA HIS A 151 -3.847 -21.413 -6.017 1.00 0.00 C ATOM 2246 C HIS A 151 -3.900 -21.778 -4.537 1.00 0.00 C ATOM 2247 O HIS A 151 -3.619 -22.912 -4.158 1.00 0.00 O ATOM 2248 CB HIS A 151 -5.255 -21.075 -6.540 1.00 0.00 C ATOM 2249 CG HIS A 151 -6.247 -22.193 -6.437 1.00 0.00 C ATOM 2250 ND1 HIS A 151 -7.452 -22.071 -5.782 1.00 0.00 N ATOM 2251 CD2 HIS A 151 -6.213 -23.447 -6.930 1.00 0.00 C ATOM 2252 CE1 HIS A 151 -8.118 -23.206 -5.876 1.00 0.00 C ATOM 2253 NE2 HIS A 151 -7.388 -24.058 -6.569 1.00 0.00 N ATOM 0 H HIS A 151 -3.309 -23.408 -6.410 1.00 0.00 H new ATOM 0 HA HIS A 151 -3.224 -20.525 -6.124 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -5.637 -20.217 -5.987 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -5.177 -20.772 -7.584 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -5.411 -23.889 -7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -9.094 -23.403 -5.457 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -7.653 -25.016 -6.799 1.00 0.00 H new