USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1000 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 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 109 LYS NZ :NH3+ -126:sc=-0.00697 (180deg=-0.127) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= -2.31! (180deg=-4.32!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.39) USER MOD Single : A 32 ASN : amide:sc=-0.00222 X(o=-0.0022,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0773 X(o=0.077,f=-0.081) USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= 0.548 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.411 K(o=-0.41,f=-3.6!) USER MOD Single : A 51 TYR OH : rot 90:sc= -1.41 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0409 F(o=-3.1!,f=-0.041) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.914 F(o=-2.2!,f=-0.91) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -1.88! (180deg=-2.7!) USER MOD Single : A 71 THR OG1 : rot 104:sc= 0.843 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 16:sc= -0.856! USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -5.46! C(o=-5.5!,f=-11!) USER MOD Single : A 100 GLN : amide:sc= -3.8! C(o=-3.8!,f=-7.7!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -120:sc= -2.53! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -122:sc= -0.0685 USER MOD Single : A 119 LYS NZ :NH3+ -159:sc= -0.0933 (180deg=-0.593) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -149:sc= -0.245 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.034 0.411 7.846 1.00 0.00 N ATOM 2 CA ALA A 2 -12.989 1.054 8.692 1.00 0.00 C ATOM 3 C ALA A 2 -12.758 2.491 8.215 1.00 0.00 C ATOM 4 O ALA A 2 -11.926 2.752 7.370 1.00 0.00 O ATOM 5 CB ALA A 2 -11.686 0.253 8.583 1.00 0.00 C ATOM 0 HA ALA A 2 -13.317 1.071 9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.919 0.720 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.856 -0.767 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.355 0.236 7.545 1.00 0.00 H new ATOM 11 N ASP A 3 -13.492 3.428 8.750 1.00 0.00 N ATOM 12 CA ASP A 3 -13.314 4.844 8.322 1.00 0.00 C ATOM 13 C ASP A 3 -13.667 4.974 6.840 1.00 0.00 C ATOM 14 O ASP A 3 -13.230 4.197 6.019 1.00 0.00 O ATOM 15 CB ASP A 3 -11.856 5.261 8.539 1.00 0.00 C ATOM 16 CG ASP A 3 -11.812 6.600 9.277 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.568 7.484 8.907 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.021 6.720 10.198 1.00 0.00 O ATOM 0 H ASP A 3 -14.205 3.275 9.463 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.968 5.489 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.331 4.499 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.344 5.345 7.580 1.00 0.00 H new ATOM 23 N LYS A 4 -14.461 5.944 6.492 1.00 0.00 N ATOM 24 CA LYS A 4 -14.839 6.118 5.061 1.00 0.00 C ATOM 25 C LYS A 4 -13.836 7.042 4.370 1.00 0.00 C ATOM 26 O LYS A 4 -14.053 7.475 3.257 1.00 0.00 O ATOM 27 CB LYS A 4 -16.236 6.734 4.972 1.00 0.00 C ATOM 28 CG LYS A 4 -17.280 5.726 5.465 1.00 0.00 C ATOM 29 CD LYS A 4 -18.217 5.344 4.317 1.00 0.00 C ATOM 30 CE LYS A 4 -19.090 4.161 4.740 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.426 4.270 4.089 1.00 0.00 N ATOM 0 H LYS A 4 -14.866 6.625 7.135 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.835 5.145 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.282 7.642 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.452 7.021 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.784 4.836 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.853 6.155 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.844 6.194 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.637 5.083 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.612 3.223 4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.202 4.148 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.019 3.466 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.882 5.158 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.310 4.262 3.055 1.00 0.00 H new ATOM 45 N GLU A 5 -12.747 7.367 5.021 1.00 0.00 N ATOM 46 CA GLU A 5 -11.755 8.282 4.384 1.00 0.00 C ATOM 47 C GLU A 5 -10.331 7.939 4.836 1.00 0.00 C ATOM 48 O GLU A 5 -9.571 8.813 5.200 1.00 0.00 O ATOM 49 CB GLU A 5 -12.059 9.731 4.787 1.00 0.00 C ATOM 50 CG GLU A 5 -13.568 9.985 4.754 1.00 0.00 C ATOM 51 CD GLU A 5 -13.843 11.458 5.061 1.00 0.00 C ATOM 52 OE1 GLU A 5 -13.052 12.287 4.642 1.00 0.00 O ATOM 53 OE2 GLU A 5 -14.839 11.731 5.710 1.00 0.00 O ATOM 0 H GLU A 5 -12.505 7.041 5.957 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.828 8.164 3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.672 9.927 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.553 10.418 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.970 9.725 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.071 9.350 5.484 1.00 0.00 H new ATOM 60 N LEU A 6 -9.943 6.691 4.802 1.00 0.00 N ATOM 61 CA LEU A 6 -8.559 6.353 5.215 1.00 0.00 C ATOM 62 C LEU A 6 -7.621 6.751 4.077 1.00 0.00 C ATOM 63 O LEU A 6 -7.715 6.237 2.992 1.00 0.00 O ATOM 64 CB LEU A 6 -8.465 4.852 5.490 1.00 0.00 C ATOM 65 CG LEU A 6 -7.064 4.484 5.990 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.767 5.201 7.306 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.002 2.976 6.213 1.00 0.00 C ATOM 0 H LEU A 6 -10.520 5.903 4.509 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.281 6.885 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.209 4.565 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.691 4.295 4.581 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.325 4.788 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.769 4.931 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.819 6.279 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.501 4.905 8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.009 2.701 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.746 2.687 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.206 2.461 5.274 1.00 0.00 H new ATOM 79 N LYS A 7 -6.745 7.689 4.298 1.00 0.00 N ATOM 80 CA LYS A 7 -5.838 8.144 3.199 1.00 0.00 C ATOM 81 C LYS A 7 -5.013 6.982 2.626 1.00 0.00 C ATOM 82 O LYS A 7 -4.230 6.359 3.322 1.00 0.00 O ATOM 83 CB LYS A 7 -4.882 9.207 3.740 1.00 0.00 C ATOM 84 CG LYS A 7 -5.321 10.592 3.256 1.00 0.00 C ATOM 85 CD LYS A 7 -4.354 11.653 3.790 1.00 0.00 C ATOM 86 CE LYS A 7 -4.800 12.109 5.181 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.603 12.470 5.992 1.00 0.00 N ATOM 0 H LYS A 7 -6.615 8.163 5.192 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.458 8.551 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.871 9.179 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.866 9.000 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.340 10.618 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.334 10.804 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.344 11.246 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.323 12.505 3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.468 12.966 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.360 11.315 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.839 13.258 6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.304 11.648 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.829 12.756 5.360 1.00 0.00 H new ATOM 101 N PHE A 8 -5.163 6.716 1.345 1.00 0.00 N ATOM 102 CA PHE A 8 -4.375 5.636 0.693 1.00 0.00 C ATOM 103 C PHE A 8 -3.374 6.272 -0.261 1.00 0.00 C ATOM 104 O PHE A 8 -3.692 7.232 -0.932 1.00 0.00 O ATOM 105 CB PHE A 8 -5.282 4.749 -0.174 1.00 0.00 C ATOM 106 CG PHE A 8 -6.181 3.882 0.669 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.373 4.404 1.159 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.827 2.559 0.948 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.216 3.607 1.941 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.673 1.758 1.731 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.865 2.285 2.230 1.00 0.00 C ATOM 0 H PHE A 8 -5.805 7.210 0.726 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.895 5.047 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.889 5.377 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.668 4.119 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.648 5.424 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.904 2.153 0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.141 4.014 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.402 0.735 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.515 1.673 2.838 1.00 0.00 H new ATOM 121 N LEU A 9 -2.195 5.723 -0.372 1.00 0.00 N ATOM 122 CA LEU A 9 -1.212 6.280 -1.344 1.00 0.00 C ATOM 123 C LEU A 9 -0.913 5.211 -2.393 1.00 0.00 C ATOM 124 O LEU A 9 -0.320 4.192 -2.096 1.00 0.00 O ATOM 125 CB LEU A 9 0.095 6.672 -0.658 1.00 0.00 C ATOM 126 CG LEU A 9 1.031 7.320 -1.689 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.402 8.610 -2.227 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.361 7.652 -1.034 1.00 0.00 C ATOM 0 H LEU A 9 -1.871 4.918 0.165 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.641 7.174 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.103 7.366 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.568 5.793 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 9 1.189 6.622 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.071 9.064 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.551 8.379 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.238 9.306 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.023 8.112 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.197 8.345 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.818 6.738 -0.655 1.00 0.00 H new ATOM 140 N VAL A 10 -1.309 5.436 -3.614 1.00 0.00 N ATOM 141 CA VAL A 10 -1.039 4.433 -4.681 1.00 0.00 C ATOM 142 C VAL A 10 0.210 4.854 -5.463 1.00 0.00 C ATOM 143 O VAL A 10 0.157 5.689 -6.345 1.00 0.00 O ATOM 144 CB VAL A 10 -2.250 4.355 -5.613 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.488 2.902 -6.017 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.486 4.877 -4.876 1.00 0.00 C ATOM 0 H VAL A 10 -1.808 6.271 -3.920 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.866 3.451 -4.240 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.065 4.958 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.351 2.846 -6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.607 2.519 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.676 2.303 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.352 4.824 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.666 4.267 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.321 5.912 -4.577 1.00 0.00 H new ATOM 156 N VAL A 11 1.341 4.286 -5.134 1.00 0.00 N ATOM 157 CA VAL A 11 2.595 4.652 -5.837 1.00 0.00 C ATOM 158 C VAL A 11 2.782 3.734 -7.047 1.00 0.00 C ATOM 159 O VAL A 11 3.396 2.688 -6.955 1.00 0.00 O ATOM 160 CB VAL A 11 3.788 4.487 -4.883 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.060 5.076 -5.508 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.496 5.206 -3.562 1.00 0.00 C ATOM 0 H VAL A 11 1.445 3.581 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 11 2.537 5.689 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 11 3.941 3.424 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.895 4.951 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.279 4.559 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.910 6.137 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.344 5.087 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.331 6.266 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.605 4.777 -3.103 1.00 0.00 H new ATOM 172 N ASP A 12 2.257 4.109 -8.181 1.00 0.00 N ATOM 173 CA ASP A 12 2.407 3.248 -9.387 1.00 0.00 C ATOM 174 C ASP A 12 2.416 4.119 -10.645 1.00 0.00 C ATOM 175 O ASP A 12 1.612 5.016 -10.797 1.00 0.00 O ATOM 176 CB ASP A 12 1.236 2.266 -9.459 1.00 0.00 C ATOM 177 CG ASP A 12 1.701 0.963 -10.112 1.00 0.00 C ATOM 178 OD1 ASP A 12 2.610 1.022 -10.923 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.140 -0.071 -9.790 1.00 0.00 O ATOM 0 H ASP A 12 1.732 4.972 -8.324 1.00 0.00 H new ATOM 0 HA ASP A 12 3.345 2.697 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.853 2.067 -8.458 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.418 2.701 -10.033 1.00 0.00 H new ATOM 184 N ASP A 13 3.320 3.856 -11.550 1.00 0.00 N ATOM 185 CA ASP A 13 3.381 4.665 -12.799 1.00 0.00 C ATOM 186 C ASP A 13 2.442 4.055 -13.843 1.00 0.00 C ATOM 187 O ASP A 13 2.343 4.531 -14.956 1.00 0.00 O ATOM 188 CB ASP A 13 4.813 4.665 -13.339 1.00 0.00 C ATOM 189 CG ASP A 13 5.780 5.065 -12.224 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.361 5.076 -11.079 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.924 5.352 -12.535 1.00 0.00 O ATOM 0 H ASP A 13 4.018 3.116 -11.477 1.00 0.00 H new ATOM 0 HA ASP A 13 3.075 5.689 -12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.069 3.676 -13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.898 5.360 -14.175 1.00 0.00 H new ATOM 196 N PHE A 14 1.752 3.005 -13.491 1.00 0.00 N ATOM 197 CA PHE A 14 0.819 2.366 -14.463 1.00 0.00 C ATOM 198 C PHE A 14 -0.328 3.329 -14.772 1.00 0.00 C ATOM 199 O PHE A 14 -0.831 4.011 -13.900 1.00 0.00 O ATOM 200 CB PHE A 14 0.255 1.077 -13.861 1.00 0.00 C ATOM 201 CG PHE A 14 0.560 -0.082 -14.782 1.00 0.00 C ATOM 202 CD1 PHE A 14 1.887 -0.465 -15.005 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.483 -0.771 -15.414 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.173 -1.538 -15.858 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.197 -1.845 -16.267 1.00 0.00 C ATOM 206 CZ PHE A 14 1.131 -2.227 -16.489 1.00 0.00 C ATOM 0 H PHE A 14 1.794 2.562 -12.573 1.00 0.00 H new ATOM 0 HA PHE A 14 1.356 2.131 -15.382 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.692 0.900 -12.878 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.822 1.170 -13.719 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.691 0.067 -14.519 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.507 -0.474 -15.244 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.198 -1.834 -16.029 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.001 -2.378 -16.753 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.352 -3.054 -17.148 1.00 0.00 H new ATOM 216 N SER A 15 -0.746 3.393 -16.005 1.00 0.00 N ATOM 217 CA SER A 15 -1.860 4.313 -16.368 1.00 0.00 C ATOM 218 C SER A 15 -3.192 3.571 -16.252 1.00 0.00 C ATOM 219 O SER A 15 -4.187 3.972 -16.823 1.00 0.00 O ATOM 220 CB SER A 15 -1.668 4.797 -17.807 1.00 0.00 C ATOM 221 OG SER A 15 -0.279 4.848 -18.103 1.00 0.00 O ATOM 0 H SER A 15 -0.364 2.848 -16.778 1.00 0.00 H new ATOM 0 HA SER A 15 -1.862 5.169 -15.693 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.175 4.125 -18.500 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.115 5.783 -17.934 1.00 0.00 H new ATOM 0 HG SER A 15 -0.152 5.156 -19.025 1.00 0.00 H new ATOM 227 N THR A 16 -3.218 2.489 -15.520 1.00 0.00 N ATOM 228 CA THR A 16 -4.485 1.715 -15.369 1.00 0.00 C ATOM 229 C THR A 16 -4.586 1.174 -13.941 1.00 0.00 C ATOM 230 O THR A 16 -5.663 0.949 -13.427 1.00 0.00 O ATOM 231 CB THR A 16 -4.493 0.544 -16.355 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.958 -0.610 -15.720 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.646 0.889 -17.582 1.00 0.00 C ATOM 0 H THR A 16 -2.415 2.107 -15.019 1.00 0.00 H new ATOM 0 HA THR A 16 -5.333 2.369 -15.574 1.00 0.00 H new ATOM 0 HB THR A 16 -5.517 0.348 -16.672 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.963 -1.362 -16.349 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.657 0.051 -18.279 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.057 1.773 -18.071 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.621 1.090 -17.272 1.00 0.00 H new ATOM 241 N MET A 17 -3.472 0.960 -13.296 1.00 0.00 N ATOM 242 CA MET A 17 -3.508 0.429 -11.905 1.00 0.00 C ATOM 243 C MET A 17 -4.190 1.446 -10.988 1.00 0.00 C ATOM 244 O MET A 17 -5.184 1.151 -10.355 1.00 0.00 O ATOM 245 CB MET A 17 -2.079 0.174 -11.415 1.00 0.00 C ATOM 246 CG MET A 17 -2.117 -0.512 -10.046 1.00 0.00 C ATOM 247 SD MET A 17 -1.547 -2.222 -10.208 1.00 0.00 S ATOM 248 CE MET A 17 -2.800 -2.974 -9.140 1.00 0.00 C ATOM 0 H MET A 17 -2.539 1.130 -13.672 1.00 0.00 H new ATOM 0 HA MET A 17 -4.067 -0.506 -11.889 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.545 -0.451 -12.131 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.535 1.116 -11.346 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.485 0.027 -9.340 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.131 -0.492 -9.646 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.639 -4.051 -9.092 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.725 -2.551 -8.138 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.792 -2.773 -9.546 1.00 0.00 H new ATOM 258 N ARG A 18 -3.665 2.640 -10.906 1.00 0.00 N ATOM 259 CA ARG A 18 -4.288 3.668 -10.025 1.00 0.00 C ATOM 260 C ARG A 18 -5.786 3.687 -10.255 1.00 0.00 C ATOM 261 O ARG A 18 -6.561 3.914 -9.349 1.00 0.00 O ATOM 262 CB ARG A 18 -3.695 5.052 -10.344 1.00 0.00 C ATOM 263 CG ARG A 18 -4.727 5.994 -10.990 1.00 0.00 C ATOM 264 CD ARG A 18 -4.043 7.313 -11.355 1.00 0.00 C ATOM 265 NE ARG A 18 -4.925 8.090 -12.271 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.429 9.059 -12.990 1.00 0.00 C ATOM 267 NH1 ARG A 18 -3.199 9.452 -12.794 1.00 0.00 N ATOM 268 NH2 ARG A 18 -5.161 9.636 -13.903 1.00 0.00 N ATOM 0 H ARG A 18 -2.833 2.946 -11.410 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.085 3.424 -8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.318 5.504 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.844 4.934 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.152 5.532 -11.881 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.552 6.176 -10.301 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.837 7.890 -10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.084 7.118 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.918 7.864 -12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.627 9.001 -12.079 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.810 10.209 -13.356 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.122 9.330 -14.055 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.772 10.394 -14.465 1.00 0.00 H new ATOM 282 N ARG A 19 -6.202 3.484 -11.466 1.00 0.00 N ATOM 283 CA ARG A 19 -7.649 3.532 -11.740 1.00 0.00 C ATOM 284 C ARG A 19 -8.333 2.314 -11.118 1.00 0.00 C ATOM 285 O ARG A 19 -9.419 2.403 -10.580 1.00 0.00 O ATOM 286 CB ARG A 19 -7.892 3.543 -13.250 1.00 0.00 C ATOM 287 CG ARG A 19 -6.915 4.511 -13.920 1.00 0.00 C ATOM 288 CD ARG A 19 -7.260 4.636 -15.405 1.00 0.00 C ATOM 289 NE ARG A 19 -8.216 3.556 -15.783 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.257 3.835 -16.518 1.00 0.00 C ATOM 291 NH1 ARG A 19 -9.107 4.486 -17.639 1.00 0.00 N ATOM 292 NH2 ARG A 19 -10.447 3.465 -16.131 1.00 0.00 N ATOM 0 H ARG A 19 -5.606 3.289 -12.270 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.064 4.440 -11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.762 2.540 -13.657 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.919 3.842 -13.461 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.968 5.488 -13.440 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.892 4.152 -13.802 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.699 5.613 -15.607 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.355 4.563 -16.008 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.056 2.599 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.177 4.776 -17.940 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.920 4.705 -18.215 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.563 2.958 -15.254 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.261 3.683 -16.706 1.00 0.00 H new ATOM 306 N ILE A 20 -7.705 1.175 -11.195 1.00 0.00 N ATOM 307 CA ILE A 20 -8.308 -0.058 -10.619 1.00 0.00 C ATOM 308 C ILE A 20 -8.529 0.125 -9.117 1.00 0.00 C ATOM 309 O ILE A 20 -9.621 -0.057 -8.614 1.00 0.00 O ATOM 310 CB ILE A 20 -7.360 -1.241 -10.863 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.737 -1.926 -12.179 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.458 -2.259 -9.718 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.619 -2.883 -12.596 1.00 0.00 C ATOM 0 H ILE A 20 -6.794 1.045 -11.635 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.268 -0.252 -11.096 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.338 -0.866 -10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.673 -2.473 -12.062 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.899 -1.179 -12.956 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.779 -3.089 -9.910 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.186 -1.777 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.479 -2.634 -9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.888 -3.370 -13.533 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.693 -2.324 -12.730 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.478 -3.637 -11.822 1.00 0.00 H new ATOM 325 N VAL A 21 -7.498 0.455 -8.393 1.00 0.00 N ATOM 326 CA VAL A 21 -7.645 0.614 -6.920 1.00 0.00 C ATOM 327 C VAL A 21 -8.546 1.810 -6.593 1.00 0.00 C ATOM 328 O VAL A 21 -9.281 1.792 -5.627 1.00 0.00 O ATOM 329 CB VAL A 21 -6.270 0.806 -6.278 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.030 -0.313 -5.265 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.180 0.748 -7.353 1.00 0.00 C ATOM 0 H VAL A 21 -6.560 0.622 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.107 -0.288 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.237 1.776 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.051 -0.182 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.801 -0.279 -4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.066 -1.277 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.203 0.885 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.212 -0.221 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.348 1.538 -8.085 1.00 0.00 H new ATOM 341 N ARG A 22 -8.503 2.847 -7.384 1.00 0.00 N ATOM 342 CA ARG A 22 -9.369 4.030 -7.098 1.00 0.00 C ATOM 343 C ARG A 22 -10.820 3.573 -6.949 1.00 0.00 C ATOM 344 O ARG A 22 -11.480 3.860 -5.970 1.00 0.00 O ATOM 345 CB ARG A 22 -9.281 5.015 -8.263 1.00 0.00 C ATOM 346 CG ARG A 22 -8.447 6.229 -7.849 1.00 0.00 C ATOM 347 CD ARG A 22 -8.222 7.133 -9.064 1.00 0.00 C ATOM 348 NE ARG A 22 -9.496 7.823 -9.413 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.513 8.726 -10.355 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.404 9.311 -10.719 1.00 0.00 N ATOM 351 NH2 ARG A 22 -10.638 9.046 -10.935 1.00 0.00 N ATOM 0 H ARG A 22 -7.911 2.928 -8.211 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.034 4.509 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.830 4.530 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.281 5.332 -8.560 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.957 6.782 -7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.489 5.904 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.446 7.867 -8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.872 6.542 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.355 7.589 -8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.524 9.062 -10.267 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.418 10.017 -11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.505 8.590 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.650 9.752 -11.671 1.00 0.00 H new ATOM 365 N ASN A 23 -11.315 2.865 -7.922 1.00 0.00 N ATOM 366 CA ASN A 23 -12.707 2.376 -7.881 1.00 0.00 C ATOM 367 C ASN A 23 -12.841 1.306 -6.809 1.00 0.00 C ATOM 368 O ASN A 23 -13.657 1.394 -5.916 1.00 0.00 O ATOM 369 CB ASN A 23 -12.993 1.744 -9.227 1.00 0.00 C ATOM 370 CG ASN A 23 -14.335 2.239 -9.769 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.447 3.365 -10.212 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.366 1.438 -9.753 1.00 0.00 N ATOM 0 H ASN A 23 -10.797 2.602 -8.760 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.395 3.192 -7.662 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.196 1.990 -9.929 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.010 0.658 -9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.266 1.757 -10.112 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.272 0.493 -9.381 1.00 0.00 H new ATOM 379 N LEU A 24 -12.038 0.289 -6.918 1.00 0.00 N ATOM 380 CA LEU A 24 -12.077 -0.832 -5.939 1.00 0.00 C ATOM 381 C LEU A 24 -12.252 -0.275 -4.520 1.00 0.00 C ATOM 382 O LEU A 24 -13.191 -0.610 -3.825 1.00 0.00 O ATOM 383 CB LEU A 24 -10.748 -1.580 -6.047 1.00 0.00 C ATOM 384 CG LEU A 24 -10.852 -3.010 -5.471 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.572 -4.034 -6.578 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.824 -3.219 -4.350 1.00 0.00 C ATOM 0 H LEU A 24 -11.343 0.184 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.911 -1.501 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.441 -1.629 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.974 -1.028 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.858 -3.143 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.646 -5.042 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.302 -3.913 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.569 -3.876 -6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.914 -4.232 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.819 -3.071 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.008 -2.503 -3.549 1.00 0.00 H new ATOM 398 N LEU A 25 -11.364 0.580 -4.087 1.00 0.00 N ATOM 399 CA LEU A 25 -11.494 1.165 -2.720 1.00 0.00 C ATOM 400 C LEU A 25 -12.829 1.900 -2.618 1.00 0.00 C ATOM 401 O LEU A 25 -13.580 1.722 -1.678 1.00 0.00 O ATOM 402 CB LEU A 25 -10.352 2.155 -2.477 1.00 0.00 C ATOM 403 CG LEU A 25 -9.104 1.401 -2.008 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.854 2.187 -2.410 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.132 1.242 -0.483 1.00 0.00 C ATOM 0 H LEU A 25 -10.555 0.899 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.450 0.371 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.134 2.705 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.648 2.889 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.086 0.415 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.965 1.652 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.826 2.297 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.879 3.173 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.241 0.705 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.154 2.226 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.021 0.682 -0.192 1.00 0.00 H new ATOM 417 N LYS A 26 -13.131 2.728 -3.578 1.00 0.00 N ATOM 418 CA LYS A 26 -14.411 3.476 -3.541 1.00 0.00 C ATOM 419 C LYS A 26 -15.578 2.490 -3.461 1.00 0.00 C ATOM 420 O LYS A 26 -16.619 2.791 -2.914 1.00 0.00 O ATOM 421 CB LYS A 26 -14.537 4.327 -4.807 1.00 0.00 C ATOM 422 CG LYS A 26 -15.524 5.474 -4.563 1.00 0.00 C ATOM 423 CD LYS A 26 -15.582 6.374 -5.802 1.00 0.00 C ATOM 424 CE LYS A 26 -14.224 7.048 -6.030 1.00 0.00 C ATOM 425 NZ LYS A 26 -14.434 8.400 -6.621 1.00 0.00 N ATOM 0 H LYS A 26 -12.542 2.918 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.431 4.125 -2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.562 4.727 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.879 3.711 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.514 5.075 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.215 6.054 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.855 5.784 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.355 7.131 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.684 7.131 -5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.611 6.440 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.513 8.858 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.932 8.308 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.003 8.979 -5.971 1.00 0.00 H new ATOM 439 N GLU A 27 -15.414 1.310 -3.997 1.00 0.00 N ATOM 440 CA GLU A 27 -16.512 0.315 -3.940 1.00 0.00 C ATOM 441 C GLU A 27 -16.856 0.042 -2.477 1.00 0.00 C ATOM 442 O GLU A 27 -17.986 -0.246 -2.135 1.00 0.00 O ATOM 443 CB GLU A 27 -16.073 -0.984 -4.623 1.00 0.00 C ATOM 444 CG GLU A 27 -17.134 -1.408 -5.641 1.00 0.00 C ATOM 445 CD GLU A 27 -16.685 -2.689 -6.347 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.513 -2.783 -6.671 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.521 -3.553 -6.552 1.00 0.00 O ATOM 0 H GLU A 27 -14.566 0.997 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.389 0.704 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.114 -0.840 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.932 -1.769 -3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.088 -1.572 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.290 -0.614 -6.371 1.00 0.00 H new ATOM 454 N LEU A 28 -15.886 0.140 -1.607 1.00 0.00 N ATOM 455 CA LEU A 28 -16.154 -0.102 -0.162 1.00 0.00 C ATOM 456 C LEU A 28 -16.788 1.147 0.447 1.00 0.00 C ATOM 457 O LEU A 28 -17.936 1.144 0.846 1.00 0.00 O ATOM 458 CB LEU A 28 -14.839 -0.410 0.559 1.00 0.00 C ATOM 459 CG LEU A 28 -14.780 -1.899 0.903 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.846 -2.724 -0.383 1.00 0.00 C ATOM 461 CD2 LEU A 28 -13.468 -2.200 1.633 1.00 0.00 C ATOM 0 H LEU A 28 -14.921 0.377 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.832 -0.949 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.994 -0.139 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.762 0.187 1.468 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.623 -2.157 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.804 -3.785 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.778 -2.509 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.003 -2.466 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.424 -3.261 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.626 -1.941 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.419 -1.612 2.550 1.00 0.00 H new ATOM 473 N GLY A 29 -16.047 2.217 0.520 1.00 0.00 N ATOM 474 CA GLY A 29 -16.597 3.466 1.098 1.00 0.00 C ATOM 475 C GLY A 29 -15.462 4.441 1.427 1.00 0.00 C ATOM 476 O GLY A 29 -15.570 5.239 2.337 1.00 0.00 O ATOM 0 H GLY A 29 -15.080 2.277 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.290 3.927 0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.164 3.239 2.001 1.00 0.00 H new ATOM 480 N PHE A 30 -14.377 4.388 0.697 1.00 0.00 N ATOM 481 CA PHE A 30 -13.243 5.318 0.977 1.00 0.00 C ATOM 482 C PHE A 30 -13.308 6.510 0.019 1.00 0.00 C ATOM 483 O PHE A 30 -13.817 6.409 -1.080 1.00 0.00 O ATOM 484 CB PHE A 30 -11.914 4.581 0.779 1.00 0.00 C ATOM 485 CG PHE A 30 -11.691 3.607 1.915 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.515 4.080 3.221 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.639 2.232 1.658 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.288 3.178 4.268 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.416 1.330 2.706 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.239 1.804 4.010 1.00 0.00 C ATOM 0 H PHE A 30 -14.228 3.743 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.314 5.673 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.922 4.048 -0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.094 5.297 0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.554 5.141 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.771 1.866 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.151 3.543 5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.381 0.269 2.507 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.064 1.109 4.818 1.00 0.00 H new ATOM 500 N ASN A 31 -12.797 7.643 0.425 1.00 0.00 N ATOM 501 CA ASN A 31 -12.833 8.840 -0.463 1.00 0.00 C ATOM 502 C ASN A 31 -11.626 9.738 -0.170 1.00 0.00 C ATOM 503 O ASN A 31 -11.771 10.883 0.208 1.00 0.00 O ATOM 504 CB ASN A 31 -14.123 9.623 -0.208 1.00 0.00 C ATOM 505 CG ASN A 31 -14.240 10.765 -1.220 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.137 10.550 -2.412 1.00 0.00 O ATOM 507 ND2 ASN A 31 -14.451 11.980 -0.793 1.00 0.00 N ATOM 0 H ASN A 31 -12.357 7.790 1.333 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.799 8.518 -1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.985 8.961 -0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.124 10.021 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.529 12.748 -1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.538 12.161 0.207 1.00 0.00 H new ATOM 514 N ASN A 32 -10.435 9.229 -0.342 1.00 0.00 N ATOM 515 CA ASN A 32 -9.220 10.055 -0.074 1.00 0.00 C ATOM 516 C ASN A 32 -7.976 9.259 -0.481 1.00 0.00 C ATOM 517 O ASN A 32 -7.531 8.379 0.230 1.00 0.00 O ATOM 518 CB ASN A 32 -9.145 10.399 1.417 1.00 0.00 C ATOM 519 CG ASN A 32 -8.716 11.858 1.582 1.00 0.00 C ATOM 520 OD1 ASN A 32 -9.366 12.620 2.270 1.00 0.00 O ATOM 521 ND2 ASN A 32 -7.642 12.281 0.975 1.00 0.00 N ATOM 0 H ASN A 32 -10.250 8.276 -0.657 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.272 10.979 -0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.115 10.238 1.888 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.435 9.741 1.918 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.347 13.252 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.097 11.641 0.398 1.00 0.00 H new ATOM 528 N VAL A 33 -7.420 9.546 -1.627 1.00 0.00 N ATOM 529 CA VAL A 33 -6.217 8.788 -2.075 1.00 0.00 C ATOM 530 C VAL A 33 -5.330 9.676 -2.955 1.00 0.00 C ATOM 531 O VAL A 33 -5.808 10.596 -3.591 1.00 0.00 O ATOM 532 CB VAL A 33 -6.678 7.573 -2.878 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.793 7.991 -3.835 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.504 7.015 -3.680 1.00 0.00 C ATOM 0 H VAL A 33 -7.745 10.269 -2.269 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.641 8.470 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.049 6.807 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.123 7.125 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.632 8.390 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.420 8.757 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.834 6.148 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.133 7.780 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.707 6.718 -2.999 1.00 0.00 H new ATOM 544 N GLU A 34 -4.044 9.404 -3.004 1.00 0.00 N ATOM 545 CA GLU A 34 -3.127 10.224 -3.852 1.00 0.00 C ATOM 546 C GLU A 34 -2.339 9.295 -4.774 1.00 0.00 C ATOM 547 O GLU A 34 -2.659 8.134 -4.915 1.00 0.00 O ATOM 548 CB GLU A 34 -2.170 10.994 -2.946 1.00 0.00 C ATOM 549 CG GLU A 34 -2.759 12.374 -2.642 1.00 0.00 C ATOM 550 CD GLU A 34 -2.663 13.256 -3.887 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.588 13.777 -4.138 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.664 13.397 -4.569 1.00 0.00 O ATOM 0 H GLU A 34 -3.593 8.647 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.699 10.929 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.007 10.444 -2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.199 11.099 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.799 12.277 -2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.221 12.836 -1.814 1.00 0.00 H new ATOM 559 N GLU A 35 -1.318 9.791 -5.408 1.00 0.00 N ATOM 560 CA GLU A 35 -0.526 8.924 -6.321 1.00 0.00 C ATOM 561 C GLU A 35 0.929 9.393 -6.358 1.00 0.00 C ATOM 562 O GLU A 35 1.215 10.572 -6.276 1.00 0.00 O ATOM 563 CB GLU A 35 -1.119 8.996 -7.730 1.00 0.00 C ATOM 564 CG GLU A 35 -0.814 7.699 -8.482 1.00 0.00 C ATOM 565 CD GLU A 35 -0.726 7.987 -9.981 1.00 0.00 C ATOM 566 OE1 GLU A 35 -1.590 8.688 -10.482 1.00 0.00 O ATOM 567 OE2 GLU A 35 0.205 7.503 -10.604 1.00 0.00 O ATOM 0 H GLU A 35 -0.997 10.756 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.561 7.897 -5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.196 9.151 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.702 9.847 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.124 7.273 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.593 6.962 -8.288 1.00 0.00 H new ATOM 574 N ALA A 36 1.845 8.474 -6.490 1.00 0.00 N ATOM 575 CA ALA A 36 3.288 8.845 -6.544 1.00 0.00 C ATOM 576 C ALA A 36 3.974 7.984 -7.603 1.00 0.00 C ATOM 577 O ALA A 36 3.320 7.319 -8.383 1.00 0.00 O ATOM 578 CB ALA A 36 3.929 8.609 -5.177 1.00 0.00 C ATOM 0 H ALA A 36 1.655 7.475 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 36 3.396 9.898 -6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.984 8.881 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.426 9.221 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.835 7.557 -4.908 1.00 0.00 H new ATOM 584 N GLU A 37 5.282 7.999 -7.655 1.00 0.00 N ATOM 585 CA GLU A 37 5.991 7.185 -8.686 1.00 0.00 C ATOM 586 C GLU A 37 7.262 6.552 -8.113 1.00 0.00 C ATOM 587 O GLU A 37 8.028 5.941 -8.833 1.00 0.00 O ATOM 588 CB GLU A 37 6.365 8.087 -9.863 1.00 0.00 C ATOM 589 CG GLU A 37 6.604 9.511 -9.360 1.00 0.00 C ATOM 590 CD GLU A 37 7.247 10.344 -10.471 1.00 0.00 C ATOM 591 OE1 GLU A 37 8.089 9.809 -11.173 1.00 0.00 O ATOM 592 OE2 GLU A 37 6.885 11.501 -10.601 1.00 0.00 O ATOM 0 H GLU A 37 5.885 8.536 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 37 5.327 6.385 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.261 7.708 -10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.568 8.082 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.661 9.962 -9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.251 9.494 -8.483 1.00 0.00 H new ATOM 599 N ASP A 38 7.506 6.673 -6.835 1.00 0.00 N ATOM 600 CA ASP A 38 8.739 6.050 -6.271 1.00 0.00 C ATOM 601 C ASP A 38 8.850 6.367 -4.782 1.00 0.00 C ATOM 602 O ASP A 38 7.975 6.974 -4.199 1.00 0.00 O ATOM 603 CB ASP A 38 9.971 6.596 -6.998 1.00 0.00 C ATOM 604 CG ASP A 38 9.712 8.036 -7.444 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.956 8.933 -6.653 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.277 8.219 -8.568 1.00 0.00 O ATOM 0 H ASP A 38 6.916 7.168 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 38 8.683 4.970 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.839 6.560 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.200 5.973 -7.863 1.00 0.00 H new ATOM 611 N GLY A 39 9.923 5.961 -4.164 1.00 0.00 N ATOM 612 CA GLY A 39 10.098 6.241 -2.714 1.00 0.00 C ATOM 613 C GLY A 39 10.333 7.735 -2.519 1.00 0.00 C ATOM 614 O GLY A 39 9.813 8.340 -1.606 1.00 0.00 O ATOM 0 H GLY A 39 10.687 5.447 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.214 5.924 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.941 5.673 -2.320 1.00 0.00 H new ATOM 618 N VAL A 40 11.113 8.334 -3.373 1.00 0.00 N ATOM 619 CA VAL A 40 11.379 9.791 -3.239 1.00 0.00 C ATOM 620 C VAL A 40 10.062 10.557 -3.363 1.00 0.00 C ATOM 621 O VAL A 40 9.843 11.547 -2.691 1.00 0.00 O ATOM 622 CB VAL A 40 12.337 10.235 -4.347 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.707 11.705 -4.145 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.605 9.380 -4.295 1.00 0.00 C ATOM 0 H VAL A 40 11.578 7.877 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 40 11.829 9.996 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 40 11.853 10.113 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.389 12.020 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.805 12.315 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.191 11.829 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.289 9.695 -5.083 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.088 9.504 -3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.343 8.332 -4.439 1.00 0.00 H new ATOM 634 N ASP A 41 9.183 10.108 -4.214 1.00 0.00 N ATOM 635 CA ASP A 41 7.884 10.809 -4.381 1.00 0.00 C ATOM 636 C ASP A 41 6.950 10.424 -3.237 1.00 0.00 C ATOM 637 O ASP A 41 6.299 11.261 -2.646 1.00 0.00 O ATOM 638 CB ASP A 41 7.261 10.383 -5.708 1.00 0.00 C ATOM 639 CG ASP A 41 6.241 11.429 -6.159 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.414 11.812 -5.348 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.303 11.831 -7.309 1.00 0.00 O ATOM 0 H ASP A 41 9.310 9.284 -4.802 1.00 0.00 H new ATOM 0 HA ASP A 41 8.041 11.888 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.037 10.268 -6.465 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.777 9.413 -5.598 1.00 0.00 H new ATOM 646 N ALA A 42 6.879 9.163 -2.926 1.00 0.00 N ATOM 647 CA ALA A 42 5.983 8.711 -1.828 1.00 0.00 C ATOM 648 C ALA A 42 6.408 9.356 -0.507 1.00 0.00 C ATOM 649 O ALA A 42 5.588 9.815 0.262 1.00 0.00 O ATOM 650 CB ALA A 42 6.075 7.191 -1.713 1.00 0.00 C ATOM 0 H ALA A 42 7.406 8.421 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 42 4.957 9.006 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.422 6.847 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.765 6.736 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.103 6.904 -1.492 1.00 0.00 H new ATOM 656 N LEU A 43 7.682 9.391 -0.232 1.00 0.00 N ATOM 657 CA LEU A 43 8.149 10.003 1.043 1.00 0.00 C ATOM 658 C LEU A 43 7.848 11.502 1.037 1.00 0.00 C ATOM 659 O LEU A 43 7.471 12.072 2.042 1.00 0.00 O ATOM 660 CB LEU A 43 9.657 9.788 1.191 1.00 0.00 C ATOM 661 CG LEU A 43 9.918 8.443 1.872 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.266 7.886 1.411 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.940 8.641 3.390 1.00 0.00 C ATOM 0 H LEU A 43 8.419 9.023 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 43 7.629 9.534 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.136 9.811 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.094 10.596 1.778 1.00 0.00 H new ATOM 0 HG LEU A 43 9.128 7.741 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.449 6.928 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.252 7.747 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.059 8.585 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.126 7.685 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.731 9.343 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.979 9.036 3.719 1.00 0.00 H new ATOM 675 N ASN A 44 8.018 12.149 -0.082 1.00 0.00 N ATOM 676 CA ASN A 44 7.748 13.614 -0.142 1.00 0.00 C ATOM 677 C ASN A 44 6.239 13.878 -0.134 1.00 0.00 C ATOM 678 O ASN A 44 5.793 14.946 0.235 1.00 0.00 O ATOM 679 CB ASN A 44 8.349 14.187 -1.425 1.00 0.00 C ATOM 680 CG ASN A 44 9.690 14.853 -1.110 1.00 0.00 C ATOM 681 OD1 ASN A 44 9.743 15.819 -0.376 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.783 14.373 -1.638 1.00 0.00 N ATOM 0 H ASN A 44 8.332 11.728 -0.957 1.00 0.00 H new ATOM 0 HA ASN A 44 8.198 14.091 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.489 13.394 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.666 14.913 -1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.682 14.809 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.738 13.562 -2.254 1.00 0.00 H new ATOM 689 N LYS A 45 5.449 12.927 -0.551 1.00 0.00 N ATOM 690 CA LYS A 45 3.973 13.152 -0.579 1.00 0.00 C ATOM 691 C LYS A 45 3.333 12.732 0.747 1.00 0.00 C ATOM 692 O LYS A 45 2.315 13.265 1.137 1.00 0.00 O ATOM 693 CB LYS A 45 3.347 12.343 -1.716 1.00 0.00 C ATOM 694 CG LYS A 45 2.942 13.286 -2.850 1.00 0.00 C ATOM 695 CD LYS A 45 2.324 12.478 -3.992 1.00 0.00 C ATOM 696 CE LYS A 45 1.932 13.420 -5.133 1.00 0.00 C ATOM 697 NZ LYS A 45 3.118 13.675 -5.999 1.00 0.00 N ATOM 0 H LYS A 45 5.757 12.009 -0.872 1.00 0.00 H new ATOM 0 HA LYS A 45 3.793 14.215 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.056 11.601 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.475 11.799 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.228 14.024 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.813 13.835 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.034 11.733 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.447 11.937 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.127 12.980 -5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.555 14.360 -4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.454 14.648 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.876 13.006 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.853 13.549 -6.997 1.00 0.00 H new ATOM 711 N LEU A 46 3.895 11.782 1.445 1.00 0.00 N ATOM 712 CA LEU A 46 3.260 11.365 2.727 1.00 0.00 C ATOM 713 C LEU A 46 3.210 12.557 3.680 1.00 0.00 C ATOM 714 O LEU A 46 2.522 12.534 4.682 1.00 0.00 O ATOM 715 CB LEU A 46 4.042 10.213 3.376 1.00 0.00 C ATOM 716 CG LEU A 46 3.202 8.932 3.318 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.093 8.461 1.875 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.855 7.837 4.151 1.00 0.00 C ATOM 0 H LEU A 46 4.749 11.286 1.190 1.00 0.00 H new ATOM 0 HA LEU A 46 2.248 11.017 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.989 10.064 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.281 10.458 4.411 1.00 0.00 H new ATOM 0 HG LEU A 46 2.210 9.143 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.496 7.550 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.616 9.235 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.089 8.260 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.249 6.932 4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.851 7.628 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.933 8.166 5.187 1.00 0.00 H new ATOM 730 N GLN A 47 3.919 13.606 3.373 1.00 0.00 N ATOM 731 CA GLN A 47 3.893 14.800 4.259 1.00 0.00 C ATOM 732 C GLN A 47 2.548 15.507 4.086 1.00 0.00 C ATOM 733 O GLN A 47 2.230 16.446 4.788 1.00 0.00 O ATOM 734 CB GLN A 47 5.028 15.752 3.872 1.00 0.00 C ATOM 735 CG GLN A 47 5.345 16.671 5.051 1.00 0.00 C ATOM 736 CD GLN A 47 6.312 15.965 6.003 1.00 0.00 C ATOM 737 OE1 GLN A 47 6.084 14.837 6.393 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.390 16.585 6.397 1.00 0.00 N ATOM 0 H GLN A 47 4.514 13.688 2.549 1.00 0.00 H new ATOM 0 HA GLN A 47 4.023 14.496 5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.915 15.183 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.741 16.344 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.785 17.601 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.428 16.935 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.582 17.532 6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.041 16.123 7.032 1.00 0.00 H new ATOM 747 N ALA A 48 1.760 15.058 3.146 1.00 0.00 N ATOM 748 CA ALA A 48 0.437 15.693 2.909 1.00 0.00 C ATOM 749 C ALA A 48 -0.310 15.846 4.235 1.00 0.00 C ATOM 750 O ALA A 48 -0.475 16.941 4.736 1.00 0.00 O ATOM 751 CB ALA A 48 -0.385 14.822 1.957 1.00 0.00 C ATOM 0 H ALA A 48 1.979 14.275 2.531 1.00 0.00 H new ATOM 0 HA ALA A 48 0.586 16.677 2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.355 15.288 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.143 14.720 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.530 13.836 2.399 1.00 0.00 H new ATOM 757 N GLY A 49 -0.772 14.765 4.810 1.00 0.00 N ATOM 758 CA GLY A 49 -1.510 14.880 6.102 1.00 0.00 C ATOM 759 C GLY A 49 -1.294 13.624 6.948 1.00 0.00 C ATOM 760 O GLY A 49 -1.979 13.403 7.926 1.00 0.00 O ATOM 0 H GLY A 49 -0.671 13.818 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.167 15.759 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.574 15.020 5.910 1.00 0.00 H new ATOM 764 N GLY A 50 -0.354 12.797 6.583 1.00 0.00 N ATOM 765 CA GLY A 50 -0.111 11.560 7.376 1.00 0.00 C ATOM 766 C GLY A 50 -1.017 10.451 6.849 1.00 0.00 C ATOM 767 O GLY A 50 -2.165 10.337 7.231 1.00 0.00 O ATOM 0 H GLY A 50 0.254 12.923 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.935 11.262 7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.313 11.743 8.431 1.00 0.00 H new ATOM 771 N TYR A 51 -0.516 9.639 5.963 1.00 0.00 N ATOM 772 CA TYR A 51 -1.347 8.549 5.395 1.00 0.00 C ATOM 773 C TYR A 51 -1.530 7.439 6.423 1.00 0.00 C ATOM 774 O TYR A 51 -0.662 7.175 7.227 1.00 0.00 O ATOM 775 CB TYR A 51 -0.646 7.964 4.172 1.00 0.00 C ATOM 776 CG TYR A 51 -0.784 8.904 3.002 1.00 0.00 C ATOM 777 CD1 TYR A 51 -0.173 10.160 3.041 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.514 8.517 1.871 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.290 11.030 1.958 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.630 9.390 0.784 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.014 10.649 0.830 1.00 0.00 C ATOM 782 OH TYR A 51 -1.120 11.518 -0.232 1.00 0.00 O ATOM 0 H TYR A 51 0.439 9.685 5.607 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.319 8.957 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.408 7.796 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.078 6.995 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.391 10.458 3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.986 7.546 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.181 12.001 1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.193 9.095 -0.089 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.378 11.366 -0.854 1.00 0.00 H new ATOM 792 N GLY A 52 -2.647 6.771 6.372 1.00 0.00 N ATOM 793 CA GLY A 52 -2.898 5.644 7.311 1.00 0.00 C ATOM 794 C GLY A 52 -2.758 4.349 6.526 1.00 0.00 C ATOM 795 O GLY A 52 -2.758 3.265 7.075 1.00 0.00 O ATOM 0 H GLY A 52 -3.403 6.959 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.188 5.669 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.895 5.722 7.745 1.00 0.00 H new ATOM 799 N PHE A 53 -2.645 4.466 5.233 1.00 0.00 N ATOM 800 CA PHE A 53 -2.511 3.265 4.379 1.00 0.00 C ATOM 801 C PHE A 53 -1.649 3.620 3.167 1.00 0.00 C ATOM 802 O PHE A 53 -1.899 4.602 2.500 1.00 0.00 O ATOM 803 CB PHE A 53 -3.906 2.875 3.912 1.00 0.00 C ATOM 804 CG PHE A 53 -4.185 1.427 4.210 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.460 1.015 5.515 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.214 0.503 3.169 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.753 -0.324 5.774 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.511 -0.828 3.420 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.780 -1.250 4.723 1.00 0.00 C ATOM 0 H PHE A 53 -2.640 5.354 4.731 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.048 2.443 4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.648 3.502 4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.999 3.055 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.446 1.732 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.004 0.825 2.160 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.959 -0.647 6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.534 -1.538 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.008 -2.287 4.920 1.00 0.00 H new ATOM 819 N VAL A 54 -0.638 2.842 2.872 1.00 0.00 N ATOM 820 CA VAL A 54 0.217 3.166 1.685 1.00 0.00 C ATOM 821 C VAL A 54 0.347 1.941 0.782 1.00 0.00 C ATOM 822 O VAL A 54 0.788 0.886 1.197 1.00 0.00 O ATOM 823 CB VAL A 54 1.603 3.629 2.139 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.541 3.677 0.929 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.495 5.032 2.743 1.00 0.00 C ATOM 0 H VAL A 54 -0.369 2.007 3.392 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.256 3.972 1.124 1.00 0.00 H new ATOM 0 HB VAL A 54 1.994 2.935 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.530 4.006 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.615 2.684 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.147 4.375 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.481 5.365 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.107 5.722 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.820 5.009 3.598 1.00 0.00 H new ATOM 835 N ILE A 55 -0.038 2.090 -0.458 1.00 0.00 N ATOM 836 CA ILE A 55 0.049 0.966 -1.431 1.00 0.00 C ATOM 837 C ILE A 55 1.192 1.258 -2.407 1.00 0.00 C ATOM 838 O ILE A 55 1.300 2.346 -2.936 1.00 0.00 O ATOM 839 CB ILE A 55 -1.274 0.867 -2.200 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.235 -0.048 -1.440 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.029 0.292 -3.598 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.665 0.197 -1.926 1.00 0.00 C ATOM 0 H ILE A 55 -0.414 2.957 -0.842 1.00 0.00 H new ATOM 0 HA ILE A 55 0.235 0.025 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.706 1.863 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.960 -1.091 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.166 0.143 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.975 0.226 -4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.346 0.942 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.591 -0.702 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.350 -0.455 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.937 1.237 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.728 -0.016 -2.993 1.00 0.00 H new ATOM 854 N SER A 56 2.047 0.304 -2.650 1.00 0.00 N ATOM 855 CA SER A 56 3.175 0.549 -3.591 1.00 0.00 C ATOM 856 C SER A 56 3.554 -0.753 -4.295 1.00 0.00 C ATOM 857 O SER A 56 3.542 -1.816 -3.707 1.00 0.00 O ATOM 858 CB SER A 56 4.380 1.078 -2.813 1.00 0.00 C ATOM 859 OG SER A 56 5.176 -0.019 -2.379 1.00 0.00 O ATOM 0 H SER A 56 2.014 -0.630 -2.240 1.00 0.00 H new ATOM 0 HA SER A 56 2.870 1.284 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.970 1.744 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.046 1.662 -1.955 1.00 0.00 H new ATOM 0 HG SER A 56 5.951 0.316 -1.881 1.00 0.00 H new ATOM 865 N ASP A 57 3.898 -0.676 -5.552 1.00 0.00 N ATOM 866 CA ASP A 57 4.282 -1.906 -6.295 1.00 0.00 C ATOM 867 C ASP A 57 5.681 -2.345 -5.857 1.00 0.00 C ATOM 868 O ASP A 57 6.634 -1.597 -5.945 1.00 0.00 O ATOM 869 CB ASP A 57 4.284 -1.617 -7.797 1.00 0.00 C ATOM 870 CG ASP A 57 4.051 -2.918 -8.568 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.907 -3.328 -8.666 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.022 -3.481 -9.047 1.00 0.00 O ATOM 0 H ASP A 57 3.929 0.187 -6.095 1.00 0.00 H new ATOM 0 HA ASP A 57 3.566 -2.700 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.506 -0.894 -8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.235 -1.173 -8.091 1.00 0.00 H new ATOM 877 N TRP A 58 5.806 -3.551 -5.382 1.00 0.00 N ATOM 878 CA TRP A 58 7.136 -4.050 -4.931 1.00 0.00 C ATOM 879 C TRP A 58 8.114 -4.059 -6.107 1.00 0.00 C ATOM 880 O TRP A 58 8.128 -4.971 -6.910 1.00 0.00 O ATOM 881 CB TRP A 58 6.969 -5.472 -4.396 1.00 0.00 C ATOM 882 CG TRP A 58 8.293 -6.030 -3.984 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.136 -6.709 -4.795 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.930 -5.983 -2.676 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.251 -7.085 -4.065 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.169 -6.661 -2.754 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.556 -5.425 -1.442 1.00 0.00 C ATOM 888 CZ2 TRP A 58 11.007 -6.783 -1.644 1.00 0.00 C ATOM 889 CZ3 TRP A 58 9.396 -5.543 -0.325 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.619 -6.222 -0.424 1.00 0.00 C ATOM 0 H TRP A 58 5.040 -4.218 -5.286 1.00 0.00 H new ATOM 0 HA TRP A 58 7.528 -3.399 -4.150 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.287 -5.470 -3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.522 -6.106 -5.162 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.967 -6.923 -5.840 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.036 -7.611 -4.449 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.615 -4.902 -1.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.948 -7.307 -1.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 9.099 -5.108 0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 58 11.260 -6.311 0.441 1.00 0.00 H new ATOM 901 N ASN A 59 8.936 -3.052 -6.213 1.00 0.00 N ATOM 902 CA ASN A 59 9.917 -3.002 -7.332 1.00 0.00 C ATOM 903 C ASN A 59 9.176 -2.929 -8.669 1.00 0.00 C ATOM 904 O ASN A 59 8.388 -3.791 -9.004 1.00 0.00 O ATOM 905 CB ASN A 59 10.790 -4.258 -7.301 1.00 0.00 C ATOM 906 CG ASN A 59 12.137 -3.957 -7.961 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.181 -3.162 -8.995 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 13.161 -4.451 -7.531 1.00 0.00 N flip ATOM 0 H ASN A 59 8.970 -2.260 -5.571 1.00 0.00 H new ATOM 0 HA ASN A 59 10.544 -2.118 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.942 -4.584 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.291 -5.074 -7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.127 -5.072 -6.723 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.054 -4.244 -7.978 1.00 0.00 H new ATOM 915 N MET A 60 9.434 -1.908 -9.440 1.00 0.00 N ATOM 916 CA MET A 60 8.761 -1.772 -10.761 1.00 0.00 C ATOM 917 C MET A 60 9.037 -0.376 -11.363 1.00 0.00 C ATOM 918 O MET A 60 9.377 -0.293 -12.526 1.00 0.00 O ATOM 919 CB MET A 60 7.246 -2.055 -10.622 1.00 0.00 C ATOM 920 CG MET A 60 6.408 -1.096 -11.484 1.00 0.00 C ATOM 921 SD MET A 60 6.929 -1.210 -13.216 1.00 0.00 S ATOM 922 CE MET A 60 5.910 0.147 -13.847 1.00 0.00 C ATOM 0 H MET A 60 10.086 -1.158 -9.209 1.00 0.00 H new ATOM 0 HA MET A 60 9.170 -2.511 -11.451 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.039 -3.084 -10.916 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.952 -1.957 -9.577 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.350 -1.344 -11.396 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.526 -0.073 -11.126 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.075 0.258 -14.919 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.858 -0.072 -13.663 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.182 1.073 -13.340 1.00 0.00 H new ATOM 932 N PRO A 61 8.894 0.687 -10.587 1.00 0.00 N ATOM 933 CA PRO A 61 9.146 2.043 -11.112 1.00 0.00 C ATOM 934 C PRO A 61 10.631 2.199 -11.455 1.00 0.00 C ATOM 935 O PRO A 61 10.990 2.539 -12.565 1.00 0.00 O ATOM 936 CB PRO A 61 8.761 2.993 -9.970 1.00 0.00 C ATOM 937 CG PRO A 61 8.288 2.126 -8.778 1.00 0.00 C ATOM 938 CD PRO A 61 8.478 0.652 -9.165 1.00 0.00 C ATOM 0 HA PRO A 61 8.579 2.248 -12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.613 3.609 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.970 3.672 -10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.862 2.363 -7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.242 2.329 -8.549 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.234 0.174 -8.543 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.555 0.087 -9.036 1.00 0.00 H new ATOM 946 N ASN A 62 11.493 1.952 -10.509 1.00 0.00 N ATOM 947 CA ASN A 62 12.954 2.081 -10.772 1.00 0.00 C ATOM 948 C ASN A 62 13.736 1.558 -9.564 1.00 0.00 C ATOM 949 O ASN A 62 14.866 1.131 -9.686 1.00 0.00 O ATOM 950 CB ASN A 62 13.302 3.553 -11.007 1.00 0.00 C ATOM 951 CG ASN A 62 12.258 4.439 -10.325 1.00 0.00 C ATOM 952 OD1 ASN A 62 12.225 4.504 -9.023 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 11.464 5.081 -10.986 1.00 0.00 N flip ATOM 0 H ASN A 62 11.248 1.665 -9.561 1.00 0.00 H new ATOM 0 HA ASN A 62 13.218 1.500 -11.656 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.294 3.771 -10.611 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.332 3.765 -12.076 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.490 5.030 -12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.773 5.670 -10.522 1.00 0.00 H new ATOM 960 N MET A 63 13.134 1.590 -8.402 1.00 0.00 N ATOM 961 CA MET A 63 13.822 1.095 -7.172 1.00 0.00 C ATOM 962 C MET A 63 12.905 0.110 -6.445 1.00 0.00 C ATOM 963 O MET A 63 11.820 -0.190 -6.899 1.00 0.00 O ATOM 964 CB MET A 63 14.129 2.278 -6.249 1.00 0.00 C ATOM 965 CG MET A 63 15.113 3.225 -6.938 1.00 0.00 C ATOM 966 SD MET A 63 16.667 3.257 -6.012 1.00 0.00 S ATOM 967 CE MET A 63 16.934 5.045 -6.080 1.00 0.00 C ATOM 0 H MET A 63 12.188 1.941 -8.252 1.00 0.00 H new ATOM 0 HA MET A 63 14.752 0.598 -7.447 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.209 2.809 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 63 14.551 1.920 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.294 2.897 -7.962 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.690 4.228 -6.995 1.00 0.00 H new ATOM 0 HE1 MET A 63 17.858 5.295 -5.559 1.00 0.00 H new ATOM 0 HE2 MET A 63 17.007 5.363 -7.120 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.098 5.556 -5.602 1.00 0.00 H new ATOM 977 N ASP A 64 13.328 -0.393 -5.317 1.00 0.00 N ATOM 978 CA ASP A 64 12.474 -1.356 -4.565 1.00 0.00 C ATOM 979 C ASP A 64 11.636 -0.591 -3.541 1.00 0.00 C ATOM 980 O ASP A 64 12.145 0.229 -2.801 1.00 0.00 O ATOM 981 CB ASP A 64 13.363 -2.370 -3.843 1.00 0.00 C ATOM 982 CG ASP A 64 14.731 -1.743 -3.569 1.00 0.00 C ATOM 983 OD1 ASP A 64 15.490 -1.591 -4.511 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.997 -1.426 -2.421 1.00 0.00 O ATOM 0 H ASP A 64 14.227 -0.179 -4.884 1.00 0.00 H new ATOM 0 HA ASP A 64 11.816 -1.881 -5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.897 -2.676 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.477 -3.268 -4.451 1.00 0.00 H new ATOM 989 N GLY A 65 10.357 -0.842 -3.487 1.00 0.00 N ATOM 990 CA GLY A 65 9.508 -0.113 -2.507 1.00 0.00 C ATOM 991 C GLY A 65 9.928 -0.496 -1.083 1.00 0.00 C ATOM 992 O GLY A 65 9.345 -0.050 -0.114 1.00 0.00 O ATOM 0 H GLY A 65 9.867 -1.516 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.610 0.963 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.458 -0.358 -2.666 1.00 0.00 H new ATOM 996 N LEU A 66 10.933 -1.325 -0.946 1.00 0.00 N ATOM 997 CA LEU A 66 11.380 -1.738 0.419 1.00 0.00 C ATOM 998 C LEU A 66 12.114 -0.575 1.089 1.00 0.00 C ATOM 999 O LEU A 66 11.623 0.003 2.040 1.00 0.00 O ATOM 1000 CB LEU A 66 12.318 -2.950 0.314 1.00 0.00 C ATOM 1001 CG LEU A 66 12.788 -3.380 1.712 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.583 -3.756 2.578 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.711 -4.594 1.585 1.00 0.00 C ATOM 0 H LEU A 66 11.461 -1.732 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 66 10.510 -2.010 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.802 -3.777 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.179 -2.700 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 66 13.322 -2.552 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.926 -4.059 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.920 -2.896 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.043 -4.581 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.046 -4.901 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.170 -5.415 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.575 -4.332 0.975 1.00 0.00 H new ATOM 1015 N GLU A 67 13.281 -0.226 0.601 1.00 0.00 N ATOM 1016 CA GLU A 67 14.037 0.909 1.209 1.00 0.00 C ATOM 1017 C GLU A 67 13.059 2.051 1.468 1.00 0.00 C ATOM 1018 O GLU A 67 13.184 2.807 2.411 1.00 0.00 O ATOM 1019 CB GLU A 67 15.128 1.372 0.238 1.00 0.00 C ATOM 1020 CG GLU A 67 16.506 1.086 0.838 1.00 0.00 C ATOM 1021 CD GLU A 67 16.684 -0.423 1.014 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.131 -1.059 0.073 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.371 -0.917 2.084 1.00 0.00 O ATOM 0 H GLU A 67 13.739 -0.678 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 67 14.504 0.597 2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.022 0.856 -0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.022 2.438 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.286 1.481 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.607 1.589 1.800 1.00 0.00 H new ATOM 1030 N LEU A 68 12.064 2.146 0.636 1.00 0.00 N ATOM 1031 CA LEU A 68 11.025 3.194 0.796 1.00 0.00 C ATOM 1032 C LEU A 68 10.256 2.911 2.082 1.00 0.00 C ATOM 1033 O LEU A 68 10.162 3.737 2.965 1.00 0.00 O ATOM 1034 CB LEU A 68 10.098 3.103 -0.425 1.00 0.00 C ATOM 1035 CG LEU A 68 8.651 3.502 -0.099 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.617 4.916 0.482 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.830 3.471 -1.394 1.00 0.00 C ATOM 0 H LEU A 68 11.925 1.529 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 68 11.454 4.194 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.480 3.749 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.112 2.084 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 68 8.236 2.807 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.587 5.191 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.212 4.949 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.027 5.618 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.799 3.752 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.255 4.173 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.851 2.466 -1.814 1.00 0.00 H new ATOM 1049 N LEU A 69 9.703 1.738 2.184 1.00 0.00 N ATOM 1050 CA LEU A 69 8.929 1.370 3.397 1.00 0.00 C ATOM 1051 C LEU A 69 9.850 1.364 4.616 1.00 0.00 C ATOM 1052 O LEU A 69 9.700 2.155 5.527 1.00 0.00 O ATOM 1053 CB LEU A 69 8.347 -0.025 3.194 1.00 0.00 C ATOM 1054 CG LEU A 69 7.422 -0.382 4.362 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.091 -0.838 3.793 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.986 -1.517 5.221 1.00 0.00 C ATOM 0 H LEU A 69 9.755 1.011 1.471 1.00 0.00 H new ATOM 0 HA LEU A 69 8.129 2.093 3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.793 -0.064 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.152 -0.756 3.120 1.00 0.00 H new ATOM 0 HG LEU A 69 7.318 0.502 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.416 -1.098 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.653 -0.034 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.246 -1.711 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.295 -1.734 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.115 -2.408 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.950 -1.217 5.632 1.00 0.00 H new ATOM 1068 N LYS A 70 10.793 0.464 4.635 1.00 0.00 N ATOM 1069 CA LYS A 70 11.743 0.377 5.786 1.00 0.00 C ATOM 1070 C LYS A 70 12.132 1.785 6.248 1.00 0.00 C ATOM 1071 O LYS A 70 12.357 2.022 7.419 1.00 0.00 O ATOM 1072 CB LYS A 70 13.001 -0.380 5.354 1.00 0.00 C ATOM 1073 CG LYS A 70 13.632 -1.063 6.570 1.00 0.00 C ATOM 1074 CD LYS A 70 15.126 -1.278 6.317 1.00 0.00 C ATOM 1075 CE LYS A 70 15.673 -2.308 7.307 1.00 0.00 C ATOM 1076 NZ LYS A 70 14.871 -2.272 8.563 1.00 0.00 N ATOM 0 H LYS A 70 10.950 -0.222 3.897 1.00 0.00 H new ATOM 0 HA LYS A 70 11.261 -0.152 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.749 -1.123 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.714 0.308 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.488 -0.451 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.143 -2.019 6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.286 -1.621 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.662 -0.335 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.635 -3.305 6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.720 -2.096 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.383 -2.774 9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.717 -1.284 8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.953 -2.733 8.402 1.00 0.00 H new ATOM 1090 N THR A 71 12.203 2.724 5.345 1.00 0.00 N ATOM 1091 CA THR A 71 12.562 4.112 5.749 1.00 0.00 C ATOM 1092 C THR A 71 11.388 4.720 6.519 1.00 0.00 C ATOM 1093 O THR A 71 11.565 5.410 7.502 1.00 0.00 O ATOM 1094 CB THR A 71 12.853 4.953 4.502 1.00 0.00 C ATOM 1095 OG1 THR A 71 14.033 4.474 3.875 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.044 6.417 4.905 1.00 0.00 C ATOM 0 H THR A 71 12.029 2.591 4.349 1.00 0.00 H new ATOM 0 HA THR A 71 13.450 4.096 6.381 1.00 0.00 H new ATOM 0 HB THR A 71 12.016 4.876 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.793 3.951 3.082 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.251 7.015 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.137 6.783 5.386 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.880 6.497 5.599 1.00 0.00 H new ATOM 1104 N ILE A 72 10.186 4.461 6.077 1.00 0.00 N ATOM 1105 CA ILE A 72 8.992 5.011 6.777 1.00 0.00 C ATOM 1106 C ILE A 72 9.024 4.598 8.252 1.00 0.00 C ATOM 1107 O ILE A 72 8.723 5.381 9.130 1.00 0.00 O ATOM 1108 CB ILE A 72 7.724 4.455 6.125 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.601 5.006 4.698 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.502 4.878 6.942 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.531 4.236 3.907 1.00 0.00 C ATOM 0 H ILE A 72 9.981 3.889 5.258 1.00 0.00 H new ATOM 0 HA ILE A 72 8.998 6.099 6.705 1.00 0.00 H new ATOM 0 HB ILE A 72 7.779 3.367 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.343 6.064 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.562 4.929 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.599 4.482 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.590 4.488 7.956 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.446 5.966 6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.461 4.643 2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.805 3.182 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.567 4.336 4.406 1.00 0.00 H new ATOM 1123 N ARG A 73 9.378 3.370 8.533 1.00 0.00 N ATOM 1124 CA ARG A 73 9.414 2.922 9.957 1.00 0.00 C ATOM 1125 C ARG A 73 10.801 3.185 10.550 1.00 0.00 C ATOM 1126 O ARG A 73 11.067 2.867 11.692 1.00 0.00 O ATOM 1127 CB ARG A 73 9.101 1.426 10.036 1.00 0.00 C ATOM 1128 CG ARG A 73 10.229 0.632 9.380 1.00 0.00 C ATOM 1129 CD ARG A 73 9.790 -0.821 9.194 1.00 0.00 C ATOM 1130 NE ARG A 73 10.987 -1.707 9.220 1.00 0.00 N ATOM 1131 CZ ARG A 73 11.434 -2.165 10.356 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.603 -2.652 11.235 1.00 0.00 N ATOM 1133 NH2 ARG A 73 12.714 -2.135 10.615 1.00 0.00 N ATOM 0 H ARG A 73 9.641 2.664 7.845 1.00 0.00 H new ATOM 0 HA ARG A 73 8.668 3.479 10.524 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.986 1.122 11.077 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.156 1.215 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.485 1.072 8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.126 0.676 9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.095 -1.106 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.261 -0.934 8.248 1.00 0.00 H new ATOM 0 HE ARG A 73 11.457 -1.955 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.603 -2.675 11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.953 -3.010 12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.364 -1.753 9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.063 -2.493 11.504 1.00 0.00 H new ATOM 1147 N ALA A 74 11.689 3.759 9.785 1.00 0.00 N ATOM 1148 CA ALA A 74 13.056 4.035 10.313 1.00 0.00 C ATOM 1149 C ALA A 74 13.019 5.275 11.207 1.00 0.00 C ATOM 1150 O ALA A 74 13.810 5.421 12.118 1.00 0.00 O ATOM 1151 CB ALA A 74 14.015 4.276 9.146 1.00 0.00 C ATOM 0 H ALA A 74 11.528 4.048 8.820 1.00 0.00 H new ATOM 0 HA ALA A 74 13.399 3.179 10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.014 4.478 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.043 3.391 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.672 5.131 8.563 1.00 0.00 H new ATOM 1157 N ASP A 75 12.107 6.173 10.952 1.00 0.00 N ATOM 1158 CA ASP A 75 12.020 7.404 11.787 1.00 0.00 C ATOM 1159 C ASP A 75 11.346 7.075 13.120 1.00 0.00 C ATOM 1160 O ASP A 75 11.698 7.609 14.153 1.00 0.00 O ATOM 1161 CB ASP A 75 11.199 8.463 11.046 1.00 0.00 C ATOM 1162 CG ASP A 75 12.043 9.725 10.862 1.00 0.00 C ATOM 1163 OD1 ASP A 75 13.048 9.648 10.175 1.00 0.00 O ATOM 1164 OD2 ASP A 75 11.670 10.748 11.412 1.00 0.00 O ATOM 0 H ASP A 75 11.419 6.107 10.202 1.00 0.00 H new ATOM 0 HA ASP A 75 13.023 7.786 11.976 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.882 8.080 10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.294 8.696 11.608 1.00 0.00 H new ATOM 1169 N GLY A 76 10.381 6.197 13.108 1.00 0.00 N ATOM 1170 CA GLY A 76 9.688 5.834 14.376 1.00 0.00 C ATOM 1171 C GLY A 76 8.511 6.784 14.608 1.00 0.00 C ATOM 1172 O GLY A 76 7.565 6.459 15.298 1.00 0.00 O ATOM 0 H GLY A 76 10.043 5.715 12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.333 4.805 14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.385 5.891 15.212 1.00 0.00 H new ATOM 1176 N ALA A 77 8.561 7.957 14.037 1.00 0.00 N ATOM 1177 CA ALA A 77 7.446 8.927 14.226 1.00 0.00 C ATOM 1178 C ALA A 77 6.133 8.292 13.762 1.00 0.00 C ATOM 1179 O ALA A 77 5.155 8.268 14.483 1.00 0.00 O ATOM 1180 CB ALA A 77 7.721 10.187 13.405 1.00 0.00 C ATOM 0 H ALA A 77 9.326 8.285 13.448 1.00 0.00 H new ATOM 0 HA ALA A 77 7.369 9.191 15.281 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.905 10.897 13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.656 10.640 13.736 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.798 9.924 12.350 1.00 0.00 H new ATOM 1186 N MET A 78 6.102 7.777 12.563 1.00 0.00 N ATOM 1187 CA MET A 78 4.851 7.145 12.056 1.00 0.00 C ATOM 1188 C MET A 78 4.850 5.659 12.417 1.00 0.00 C ATOM 1189 O MET A 78 4.097 4.877 11.870 1.00 0.00 O ATOM 1190 CB MET A 78 4.780 7.302 10.536 1.00 0.00 C ATOM 1191 CG MET A 78 5.230 8.710 10.145 1.00 0.00 C ATOM 1192 SD MET A 78 4.361 9.928 11.165 1.00 0.00 S ATOM 1193 CE MET A 78 4.567 11.342 10.054 1.00 0.00 C ATOM 0 H MET A 78 6.888 7.767 11.913 1.00 0.00 H new ATOM 0 HA MET A 78 3.987 7.630 12.511 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.415 6.559 10.053 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.762 7.125 10.189 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.307 8.809 10.280 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.023 8.889 9.090 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.097 12.222 10.494 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.629 11.535 9.904 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.099 11.122 9.094 1.00 0.00 H new ATOM 1203 N SER A 79 5.686 5.263 13.337 1.00 0.00 N ATOM 1204 CA SER A 79 5.735 3.829 13.738 1.00 0.00 C ATOM 1205 C SER A 79 5.759 2.942 12.491 1.00 0.00 C ATOM 1206 O SER A 79 6.750 2.865 11.792 1.00 0.00 O ATOM 1207 CB SER A 79 4.503 3.493 14.580 1.00 0.00 C ATOM 1208 OG SER A 79 3.331 3.860 13.864 1.00 0.00 O ATOM 0 H SER A 79 6.339 5.873 13.829 1.00 0.00 H new ATOM 0 HA SER A 79 6.637 3.650 14.323 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.484 2.428 14.809 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.543 4.023 15.532 1.00 0.00 H new ATOM 0 HG SER A 79 3.556 4.005 12.921 1.00 0.00 H new ATOM 1214 N ALA A 80 4.677 2.269 12.210 1.00 0.00 N ATOM 1215 CA ALA A 80 4.636 1.386 11.012 1.00 0.00 C ATOM 1216 C ALA A 80 3.203 1.324 10.482 1.00 0.00 C ATOM 1217 O ALA A 80 2.623 0.262 10.367 1.00 0.00 O ATOM 1218 CB ALA A 80 5.101 -0.021 11.399 1.00 0.00 C ATOM 0 H ALA A 80 3.818 2.293 12.760 1.00 0.00 H new ATOM 0 HA ALA A 80 5.294 1.784 10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.071 -0.668 10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.121 0.025 11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.443 -0.423 12.169 1.00 0.00 H new ATOM 1224 N LEU A 81 2.628 2.457 10.173 1.00 0.00 N ATOM 1225 CA LEU A 81 1.226 2.479 9.660 1.00 0.00 C ATOM 1226 C LEU A 81 1.042 1.333 8.631 1.00 0.00 C ATOM 1227 O LEU A 81 1.998 0.955 7.984 1.00 0.00 O ATOM 1228 CB LEU A 81 0.958 3.862 9.035 1.00 0.00 C ATOM 1229 CG LEU A 81 1.477 3.934 7.592 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.350 3.597 6.612 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.962 5.358 7.311 1.00 0.00 C ATOM 0 H LEU A 81 3.071 3.372 10.254 1.00 0.00 H new ATOM 0 HA LEU A 81 0.509 2.319 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.112 4.068 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.439 4.634 9.635 1.00 0.00 H new ATOM 0 HG LEU A 81 2.291 3.220 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.728 3.651 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.016 2.590 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.465 4.310 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.333 5.421 6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.135 6.056 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.764 5.613 8.004 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.158 0.783 8.524 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.421 -0.345 7.599 1.00 0.00 C ATOM 1245 C PRO A 82 -0.011 -0.056 6.150 1.00 0.00 C ATOM 1246 O PRO A 82 -0.179 1.034 5.627 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.929 -0.578 7.671 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.518 0.434 8.684 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.347 1.221 9.289 1.00 0.00 C ATOM 0 HA PRO A 82 0.169 -1.212 7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.383 -0.444 6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.143 -1.600 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.217 1.108 8.189 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.074 -0.085 9.465 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.503 2.296 9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.234 1.007 10.352 1.00 0.00 H new ATOM 1257 N VAL A 83 0.497 -1.065 5.496 1.00 0.00 N ATOM 1258 CA VAL A 83 0.905 -0.930 4.073 1.00 0.00 C ATOM 1259 C VAL A 83 0.392 -2.130 3.302 1.00 0.00 C ATOM 1260 O VAL A 83 0.641 -3.260 3.676 1.00 0.00 O ATOM 1261 CB VAL A 83 2.433 -0.920 3.958 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.856 -1.497 2.590 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.945 0.517 4.078 1.00 0.00 C ATOM 0 H VAL A 83 0.648 -1.991 5.896 1.00 0.00 H new ATOM 0 HA VAL A 83 0.497 -0.000 3.676 1.00 0.00 H new ATOM 0 HB VAL A 83 2.857 -1.529 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.943 -1.488 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.494 -2.521 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.430 -0.890 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.032 0.524 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.517 1.124 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.651 0.928 5.044 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.283 -1.896 2.213 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.767 -3.032 1.396 1.00 0.00 C ATOM 1275 C LEU A 84 0.031 -3.088 0.104 1.00 0.00 C ATOM 1276 O LEU A 84 -0.456 -2.768 -0.961 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.254 -2.872 1.098 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.784 -4.104 0.353 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.621 -5.356 1.222 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.267 -3.902 0.038 1.00 0.00 C ATOM 0 H LEU A 84 -0.518 -0.969 1.857 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.630 -3.963 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.806 -2.736 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.417 -1.977 0.497 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.219 -4.233 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.000 -6.225 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.566 -5.504 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.181 -5.231 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.649 -4.775 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.822 -3.770 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.389 -3.017 -0.586 1.00 0.00 H new ATOM 1292 N MET A 85 1.263 -3.500 0.193 1.00 0.00 N ATOM 1293 CA MET A 85 2.092 -3.583 -1.030 1.00 0.00 C ATOM 1294 C MET A 85 1.339 -4.410 -2.064 1.00 0.00 C ATOM 1295 O MET A 85 0.328 -5.016 -1.766 1.00 0.00 O ATOM 1296 CB MET A 85 3.432 -4.247 -0.707 1.00 0.00 C ATOM 1297 CG MET A 85 4.501 -3.171 -0.504 1.00 0.00 C ATOM 1298 SD MET A 85 5.885 -3.864 0.433 1.00 0.00 S ATOM 1299 CE MET A 85 6.970 -2.420 0.337 1.00 0.00 C ATOM 0 H MET A 85 1.727 -3.781 1.057 1.00 0.00 H new ATOM 0 HA MET A 85 2.286 -2.584 -1.419 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.340 -4.857 0.192 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.723 -4.915 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.849 -2.803 -1.469 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.078 -2.319 0.028 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.902 -2.630 0.861 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.184 -2.194 -0.708 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.479 -1.564 0.800 1.00 0.00 H new ATOM 1309 N VAL A 86 1.806 -4.424 -3.279 1.00 0.00 N ATOM 1310 CA VAL A 86 1.100 -5.194 -4.336 1.00 0.00 C ATOM 1311 C VAL A 86 2.123 -5.868 -5.252 1.00 0.00 C ATOM 1312 O VAL A 86 3.040 -5.239 -5.742 1.00 0.00 O ATOM 1313 CB VAL A 86 0.231 -4.223 -5.136 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.594 -4.992 -6.161 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.710 -3.486 -4.178 1.00 0.00 C ATOM 0 H VAL A 86 2.647 -3.935 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 86 0.475 -5.968 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 86 0.870 -3.507 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.211 -4.295 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.073 -5.522 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.235 -5.709 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.333 -2.792 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.345 -4.208 -3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.123 -2.933 -3.445 1.00 0.00 H new ATOM 1325 N THR A 87 1.976 -7.150 -5.477 1.00 0.00 N ATOM 1326 CA THR A 87 2.943 -7.872 -6.349 1.00 0.00 C ATOM 1327 C THR A 87 2.189 -8.895 -7.199 1.00 0.00 C ATOM 1328 O THR A 87 1.040 -9.193 -6.942 1.00 0.00 O ATOM 1329 CB THR A 87 3.970 -8.590 -5.468 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.792 -7.628 -4.824 1.00 0.00 O ATOM 1331 CG2 THR A 87 4.837 -9.512 -6.325 1.00 0.00 C ATOM 0 H THR A 87 1.226 -7.725 -5.093 1.00 0.00 H new ATOM 0 HA THR A 87 3.454 -7.166 -7.003 1.00 0.00 H new ATOM 0 HB THR A 87 3.448 -9.186 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.449 -8.085 -4.258 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.565 -10.019 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.206 -10.252 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.360 -8.923 -7.079 1.00 0.00 H new ATOM 1339 N ALA A 88 2.828 -9.431 -8.206 1.00 0.00 N ATOM 1340 CA ALA A 88 2.160 -10.439 -9.078 1.00 0.00 C ATOM 1341 C ALA A 88 2.814 -11.805 -8.863 1.00 0.00 C ATOM 1342 O ALA A 88 2.192 -12.835 -9.032 1.00 0.00 O ATOM 1343 CB ALA A 88 2.311 -10.024 -10.543 1.00 0.00 C ATOM 0 H ALA A 88 3.790 -9.211 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 88 1.101 -10.498 -8.826 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.823 -10.760 -11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.848 -9.049 -10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.369 -9.967 -10.798 1.00 0.00 H new ATOM 1349 N GLU A 89 4.067 -11.819 -8.488 1.00 0.00 N ATOM 1350 CA GLU A 89 4.774 -13.113 -8.256 1.00 0.00 C ATOM 1351 C GLU A 89 4.818 -13.415 -6.755 1.00 0.00 C ATOM 1352 O GLU A 89 4.136 -14.294 -6.269 1.00 0.00 O ATOM 1353 CB GLU A 89 6.202 -13.017 -8.795 1.00 0.00 C ATOM 1354 CG GLU A 89 6.166 -12.871 -10.319 1.00 0.00 C ATOM 1355 CD GLU A 89 6.921 -11.605 -10.727 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.452 -10.527 -10.403 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.958 -11.736 -11.359 1.00 0.00 O ATOM 0 H GLU A 89 4.633 -10.985 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 89 4.241 -13.912 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.713 -12.164 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.767 -13.907 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.618 -13.744 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.134 -12.820 -10.666 1.00 0.00 H new ATOM 1364 N ALA A 90 5.624 -12.696 -6.018 1.00 0.00 N ATOM 1365 CA ALA A 90 5.717 -12.949 -4.551 1.00 0.00 C ATOM 1366 C ALA A 90 6.231 -14.372 -4.316 1.00 0.00 C ATOM 1367 O ALA A 90 5.605 -15.334 -4.713 1.00 0.00 O ATOM 1368 CB ALA A 90 4.335 -12.798 -3.913 1.00 0.00 C ATOM 0 H ALA A 90 6.220 -11.946 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 90 6.402 -12.230 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.407 -12.984 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.965 -11.787 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.647 -13.516 -4.360 1.00 0.00 H new ATOM 1374 N LYS A 91 7.368 -14.506 -3.679 1.00 0.00 N ATOM 1375 CA LYS A 91 7.939 -15.862 -3.416 1.00 0.00 C ATOM 1376 C LYS A 91 8.136 -16.055 -1.910 1.00 0.00 C ATOM 1377 O LYS A 91 7.270 -16.558 -1.222 1.00 0.00 O ATOM 1378 CB LYS A 91 9.289 -15.985 -4.130 1.00 0.00 C ATOM 1379 CG LYS A 91 9.103 -16.717 -5.461 1.00 0.00 C ATOM 1380 CD LYS A 91 9.056 -18.226 -5.214 1.00 0.00 C ATOM 1381 CE LYS A 91 8.093 -18.877 -6.209 1.00 0.00 C ATOM 1382 NZ LYS A 91 8.433 -20.320 -6.358 1.00 0.00 N ATOM 0 H LYS A 91 7.928 -13.729 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 91 7.255 -16.625 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.711 -14.995 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.996 -16.527 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.182 -16.388 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.922 -16.474 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.052 -18.654 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.732 -18.428 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.066 -18.769 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.157 -18.376 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.779 -20.763 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.408 -20.413 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.350 -20.793 -5.436 1.00 0.00 H new ATOM 1396 N LYS A 92 9.268 -15.662 -1.391 1.00 0.00 N ATOM 1397 CA LYS A 92 9.515 -15.830 0.070 1.00 0.00 C ATOM 1398 C LYS A 92 10.505 -14.767 0.549 1.00 0.00 C ATOM 1399 O LYS A 92 10.129 -13.789 1.164 1.00 0.00 O ATOM 1400 CB LYS A 92 10.094 -17.224 0.330 1.00 0.00 C ATOM 1401 CG LYS A 92 9.063 -18.075 1.076 1.00 0.00 C ATOM 1402 CD LYS A 92 9.622 -19.484 1.304 1.00 0.00 C ATOM 1403 CE LYS A 92 10.437 -19.516 2.601 1.00 0.00 C ATOM 1404 NZ LYS A 92 9.557 -19.927 3.731 1.00 0.00 N ATOM 0 H LYS A 92 10.031 -15.233 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 92 8.576 -15.718 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.360 -17.701 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.009 -17.145 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.818 -17.612 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.138 -18.129 0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.806 -20.204 1.359 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.250 -19.777 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.270 -20.212 2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.865 -18.533 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.110 -19.949 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.777 -19.246 3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.169 -20.873 3.542 1.00 0.00 H new ATOM 1418 N GLU A 93 11.770 -14.952 0.276 1.00 0.00 N ATOM 1419 CA GLU A 93 12.784 -13.956 0.717 1.00 0.00 C ATOM 1420 C GLU A 93 12.295 -12.543 0.394 1.00 0.00 C ATOM 1421 O GLU A 93 12.797 -11.566 0.914 1.00 0.00 O ATOM 1422 CB GLU A 93 14.103 -14.214 -0.013 1.00 0.00 C ATOM 1423 CG GLU A 93 14.651 -15.585 0.387 1.00 0.00 C ATOM 1424 CD GLU A 93 15.378 -16.211 -0.804 1.00 0.00 C ATOM 1425 OE1 GLU A 93 16.419 -15.694 -1.177 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.883 -17.198 -1.322 1.00 0.00 O ATOM 0 H GLU A 93 12.143 -15.752 -0.235 1.00 0.00 H new ATOM 0 HA GLU A 93 12.935 -14.050 1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.948 -14.174 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.825 -13.436 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.333 -15.484 1.231 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.837 -16.233 0.711 1.00 0.00 H new ATOM 1433 N ASN A 94 11.318 -12.426 -0.462 1.00 0.00 N ATOM 1434 CA ASN A 94 10.797 -11.079 -0.823 1.00 0.00 C ATOM 1435 C ASN A 94 9.664 -10.696 0.131 1.00 0.00 C ATOM 1436 O ASN A 94 9.478 -9.540 0.457 1.00 0.00 O ATOM 1437 CB ASN A 94 10.264 -11.113 -2.257 1.00 0.00 C ATOM 1438 CG ASN A 94 10.188 -9.690 -2.813 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.201 -9.080 -3.092 1.00 0.00 O ATOM 1440 ND2 ASN A 94 9.020 -9.136 -2.988 1.00 0.00 N ATOM 0 H ASN A 94 10.857 -13.208 -0.928 1.00 0.00 H new ATOM 0 HA ASN A 94 11.599 -10.345 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.915 -11.724 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.277 -11.575 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.956 -8.188 -3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.171 -9.650 -2.753 1.00 0.00 H new ATOM 1447 N ILE A 95 8.905 -11.656 0.578 1.00 0.00 N ATOM 1448 CA ILE A 95 7.781 -11.349 1.507 1.00 0.00 C ATOM 1449 C ILE A 95 8.276 -11.418 2.955 1.00 0.00 C ATOM 1450 O ILE A 95 7.673 -10.864 3.853 1.00 0.00 O ATOM 1451 CB ILE A 95 6.657 -12.370 1.306 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.279 -12.435 -0.176 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.430 -11.957 2.121 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.276 -13.568 -0.395 1.00 0.00 C ATOM 0 H ILE A 95 9.014 -12.642 0.340 1.00 0.00 H new ATOM 0 HA ILE A 95 7.406 -10.347 1.299 1.00 0.00 H new ATOM 0 HB ILE A 95 7.002 -13.349 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.848 -11.486 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.169 -12.600 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.633 -12.687 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.693 -11.914 3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.088 -10.976 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.006 -13.616 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.724 -14.514 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.382 -13.383 0.201 1.00 0.00 H new ATOM 1466 N ILE A 96 9.366 -12.096 3.190 1.00 0.00 N ATOM 1467 CA ILE A 96 9.891 -12.204 4.581 1.00 0.00 C ATOM 1468 C ILE A 96 10.516 -10.876 5.001 1.00 0.00 C ATOM 1469 O ILE A 96 9.964 -10.150 5.804 1.00 0.00 O ATOM 1470 CB ILE A 96 10.948 -13.306 4.645 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.276 -14.667 4.453 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.642 -13.269 6.008 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.323 -15.696 4.028 1.00 0.00 C ATOM 0 H ILE A 96 9.915 -12.580 2.480 1.00 0.00 H new ATOM 0 HA ILE A 96 9.070 -12.446 5.256 1.00 0.00 H new ATOM 0 HB ILE A 96 11.685 -13.149 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.796 -14.982 5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.494 -14.595 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.396 -14.055 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.120 -12.299 6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.905 -13.427 6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.845 -16.666 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.782 -15.382 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.090 -15.775 4.799 1.00 0.00 H new ATOM 1485 N ALA A 97 11.664 -10.555 4.465 1.00 0.00 N ATOM 1486 CA ALA A 97 12.330 -9.271 4.830 1.00 0.00 C ATOM 1487 C ALA A 97 11.289 -8.157 4.835 1.00 0.00 C ATOM 1488 O ALA A 97 11.161 -7.411 5.786 1.00 0.00 O ATOM 1489 CB ALA A 97 13.417 -8.950 3.803 1.00 0.00 C ATOM 0 H ALA A 97 12.170 -11.128 3.789 1.00 0.00 H new ATOM 0 HA ALA A 97 12.783 -9.357 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.904 -8.012 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.155 -9.752 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.968 -8.857 2.814 1.00 0.00 H new ATOM 1495 N ALA A 98 10.536 -8.052 3.783 1.00 0.00 N ATOM 1496 CA ALA A 98 9.487 -7.003 3.717 1.00 0.00 C ATOM 1497 C ALA A 98 8.553 -7.137 4.921 1.00 0.00 C ATOM 1498 O ALA A 98 8.296 -6.185 5.629 1.00 0.00 O ATOM 1499 CB ALA A 98 8.678 -7.187 2.434 1.00 0.00 C ATOM 0 H ALA A 98 10.601 -8.651 2.960 1.00 0.00 H new ATOM 0 HA ALA A 98 9.954 -6.018 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.905 -6.420 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.339 -7.100 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.212 -8.172 2.436 1.00 0.00 H new ATOM 1505 N ALA A 99 8.032 -8.313 5.149 1.00 0.00 N ATOM 1506 CA ALA A 99 7.105 -8.508 6.295 1.00 0.00 C ATOM 1507 C ALA A 99 7.773 -8.045 7.589 1.00 0.00 C ATOM 1508 O ALA A 99 7.157 -7.415 8.425 1.00 0.00 O ATOM 1509 CB ALA A 99 6.746 -9.992 6.410 1.00 0.00 C ATOM 0 H ALA A 99 8.210 -9.147 4.589 1.00 0.00 H new ATOM 0 HA ALA A 99 6.201 -7.922 6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.066 -10.138 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.263 -10.322 5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.653 -10.574 6.572 1.00 0.00 H new ATOM 1515 N GLN A 100 9.025 -8.359 7.765 1.00 0.00 N ATOM 1516 CA GLN A 100 9.729 -7.944 9.009 1.00 0.00 C ATOM 1517 C GLN A 100 9.748 -6.416 9.111 1.00 0.00 C ATOM 1518 O GLN A 100 10.084 -5.863 10.138 1.00 0.00 O ATOM 1519 CB GLN A 100 11.165 -8.469 8.976 1.00 0.00 C ATOM 1520 CG GLN A 100 11.244 -9.792 9.740 1.00 0.00 C ATOM 1521 CD GLN A 100 10.126 -10.726 9.267 1.00 0.00 C ATOM 1522 OE1 GLN A 100 9.714 -10.670 8.126 1.00 0.00 O ATOM 1523 NE2 GLN A 100 9.615 -11.586 10.106 1.00 0.00 N ATOM 0 H GLN A 100 9.592 -8.886 7.100 1.00 0.00 H new ATOM 0 HA GLN A 100 9.206 -8.354 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.487 -8.613 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.840 -7.739 9.422 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.215 -10.260 9.578 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.152 -9.611 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 100 9.962 -11.632 11.064 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.869 -12.212 9.803 1.00 0.00 H new ATOM 1532 N ALA A 101 9.397 -5.732 8.054 1.00 0.00 N ATOM 1533 CA ALA A 101 9.405 -4.240 8.091 1.00 0.00 C ATOM 1534 C ALA A 101 7.994 -3.703 8.377 1.00 0.00 C ATOM 1535 O ALA A 101 7.517 -3.749 9.494 1.00 0.00 O ATOM 1536 CB ALA A 101 9.905 -3.698 6.743 1.00 0.00 C ATOM 0 H ALA A 101 9.105 -6.142 7.167 1.00 0.00 H new ATOM 0 HA ALA A 101 10.071 -3.909 8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.911 -2.608 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.915 -4.062 6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.244 -4.038 5.946 1.00 0.00 H new ATOM 1542 N GLY A 102 7.336 -3.188 7.373 1.00 0.00 N ATOM 1543 CA GLY A 102 5.967 -2.628 7.544 1.00 0.00 C ATOM 1544 C GLY A 102 5.070 -3.125 6.407 1.00 0.00 C ATOM 1545 O GLY A 102 3.899 -2.817 6.346 1.00 0.00 O ATOM 0 H GLY A 102 7.700 -3.132 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.555 -2.932 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.005 -1.539 7.543 1.00 0.00 H new ATOM 1549 N ALA A 103 5.617 -3.926 5.533 1.00 0.00 N ATOM 1550 CA ALA A 103 4.845 -4.522 4.396 1.00 0.00 C ATOM 1551 C ALA A 103 3.652 -5.318 4.933 1.00 0.00 C ATOM 1552 O ALA A 103 3.067 -6.115 4.226 1.00 0.00 O ATOM 1553 CB ALA A 103 5.751 -5.441 3.582 1.00 0.00 C ATOM 0 H ALA A 103 6.599 -4.202 5.559 1.00 0.00 H new ATOM 0 HA ALA A 103 4.479 -3.719 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.185 -5.872 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.590 -4.868 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.127 -6.240 4.221 1.00 0.00 H new ATOM 1559 N SER A 104 3.365 -5.165 6.199 1.00 0.00 N ATOM 1560 CA SER A 104 2.276 -5.953 6.878 1.00 0.00 C ATOM 1561 C SER A 104 1.157 -6.346 5.908 1.00 0.00 C ATOM 1562 O SER A 104 0.569 -7.400 6.052 1.00 0.00 O ATOM 1563 CB SER A 104 1.662 -5.094 7.989 1.00 0.00 C ATOM 1564 OG SER A 104 2.505 -5.130 9.133 1.00 0.00 O ATOM 0 H SER A 104 3.850 -4.510 6.813 1.00 0.00 H new ATOM 0 HA SER A 104 2.725 -6.864 7.273 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.541 -4.067 7.645 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.669 -5.464 8.243 1.00 0.00 H new ATOM 0 HG SER A 104 2.115 -4.580 9.844 1.00 0.00 H new ATOM 1570 N GLY A 105 0.868 -5.541 4.925 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.201 -5.909 3.952 1.00 0.00 C ATOM 1572 C GLY A 105 0.436 -6.217 2.595 1.00 0.00 C ATOM 1573 O GLY A 105 1.175 -5.421 2.049 1.00 0.00 O ATOM 0 H GLY A 105 1.324 -4.645 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.754 -6.776 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.917 -5.093 3.854 1.00 0.00 H new ATOM 1577 N TYR A 106 0.155 -7.364 2.043 1.00 0.00 N ATOM 1578 CA TYR A 106 0.737 -7.718 0.716 1.00 0.00 C ATOM 1579 C TYR A 106 -0.263 -8.574 -0.050 1.00 0.00 C ATOM 1580 O TYR A 106 -0.536 -9.701 0.314 1.00 0.00 O ATOM 1581 CB TYR A 106 2.042 -8.501 0.893 1.00 0.00 C ATOM 1582 CG TYR A 106 2.043 -9.705 -0.031 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.087 -9.533 -1.425 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.000 -10.998 0.508 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.087 -10.652 -2.267 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.000 -12.112 -0.336 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.044 -11.940 -1.721 1.00 0.00 C ATOM 1588 OH TYR A 106 2.041 -13.042 -2.547 1.00 0.00 O ATOM 0 H TYR A 106 -0.453 -8.073 2.453 1.00 0.00 H new ATOM 0 HA TYR A 106 0.951 -6.802 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.895 -7.860 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.146 -8.825 1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.121 -8.539 -1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.967 -11.134 1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.120 -10.521 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.966 -13.107 0.083 1.00 0.00 H new ATOM 0 HH TYR A 106 1.225 -13.563 -2.394 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.806 -8.044 -1.107 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.787 -8.813 -1.915 1.00 0.00 C ATOM 1600 C VAL A 107 -1.137 -9.195 -3.240 1.00 0.00 C ATOM 1601 O VAL A 107 -0.570 -8.367 -3.926 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.013 -7.947 -2.183 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.590 -6.709 -2.978 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.037 -8.759 -2.984 1.00 0.00 C ATOM 0 H VAL A 107 -0.610 -7.103 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.091 -9.711 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.462 -7.633 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.463 -6.086 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.859 -6.140 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.147 -7.018 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.916 -8.145 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.595 -9.070 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.329 -9.640 -2.413 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.207 -10.437 -3.613 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.583 -10.841 -4.896 1.00 0.00 C ATOM 1616 C VAL A 108 -1.535 -10.486 -6.046 1.00 0.00 C ATOM 1617 O VAL A 108 -2.419 -11.244 -6.390 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.327 -12.349 -4.894 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.649 -13.094 -4.703 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.301 -12.759 -6.229 1.00 0.00 C ATOM 0 H VAL A 108 -1.665 -11.184 -3.091 1.00 0.00 H new ATOM 0 HA VAL A 108 0.365 -10.318 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 108 0.351 -12.601 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.464 -14.168 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.097 -12.802 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.329 -12.844 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.484 -13.833 -6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.378 -12.506 -7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.244 -12.230 -6.365 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.366 -9.335 -6.638 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.264 -8.926 -7.757 1.00 0.00 C ATOM 1632 C LYS A 109 -2.235 -10.005 -8.853 1.00 0.00 C ATOM 1633 O LYS A 109 -1.297 -10.776 -8.910 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.766 -7.575 -8.303 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.158 -7.722 -9.709 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.565 -6.380 -10.141 1.00 0.00 C ATOM 1637 CE LYS A 109 -1.008 -6.062 -11.570 1.00 0.00 C ATOM 1638 NZ LYS A 109 -2.456 -5.708 -11.575 1.00 0.00 N ATOM 0 H LYS A 109 -0.643 -8.658 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.292 -8.819 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.595 -6.868 -8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.020 -7.160 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.385 -8.491 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.922 -8.041 -10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.892 -5.591 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.523 -6.417 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.419 -5.236 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.831 -6.921 -12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.958 -6.310 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.853 -5.857 -10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.568 -4.710 -11.844 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.226 -10.016 -9.725 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.391 -9.093 -9.694 1.00 0.00 C ATOM 1654 C PRO A 110 -5.374 -9.510 -8.591 1.00 0.00 C ATOM 1655 O PRO A 110 -5.344 -10.631 -8.122 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.073 -9.293 -11.057 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.277 -10.376 -11.827 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.224 -10.945 -10.866 1.00 0.00 C ATOM 0 HA PRO A 110 -4.089 -8.063 -9.504 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.110 -9.602 -10.924 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.088 -8.358 -11.618 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.943 -11.165 -12.177 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.800 -9.947 -12.708 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.478 -11.958 -10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.242 -10.993 -11.337 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.258 -8.629 -8.189 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.252 -9.004 -7.138 1.00 0.00 C ATOM 1668 C PHE A 111 -8.589 -8.351 -7.418 1.00 0.00 C ATOM 1669 O PHE A 111 -8.682 -7.299 -8.020 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.805 -8.549 -5.743 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.364 -7.104 -5.775 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.311 -6.067 -5.850 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.003 -6.799 -5.746 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.880 -4.737 -5.901 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.576 -5.470 -5.791 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.514 -4.439 -5.872 1.00 0.00 C ATOM 0 H PHE A 111 -6.333 -7.674 -8.540 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.334 -10.091 -7.162 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.624 -8.670 -5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.986 -9.178 -5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.366 -6.296 -5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.275 -7.595 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.604 -3.938 -5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.521 -5.240 -5.763 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.185 -3.411 -5.912 1.00 0.00 H new ATOM 1686 N THR A 112 -9.617 -8.956 -6.921 1.00 0.00 N ATOM 1687 CA THR A 112 -10.976 -8.388 -7.067 1.00 0.00 C ATOM 1688 C THR A 112 -11.297 -7.709 -5.740 1.00 0.00 C ATOM 1689 O THR A 112 -10.750 -8.070 -4.715 1.00 0.00 O ATOM 1690 CB THR A 112 -11.984 -9.508 -7.340 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.304 -10.636 -7.872 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.030 -9.022 -8.346 1.00 0.00 C ATOM 0 H THR A 112 -9.575 -9.837 -6.409 1.00 0.00 H new ATOM 0 HA THR A 112 -11.028 -7.684 -7.898 1.00 0.00 H new ATOM 0 HB THR A 112 -12.479 -9.786 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.948 -11.354 -8.046 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.747 -9.820 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.552 -8.156 -7.939 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.537 -8.743 -9.277 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.148 -6.728 -5.727 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.448 -6.054 -4.434 1.00 0.00 C ATOM 1702 C ALA A 113 -12.760 -7.104 -3.373 1.00 0.00 C ATOM 1703 O ALA A 113 -12.794 -6.811 -2.196 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.638 -5.108 -4.600 1.00 0.00 C ATOM 0 H ALA A 113 -12.644 -6.365 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.580 -5.473 -4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.850 -4.620 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.401 -4.354 -5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.512 -5.675 -4.919 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.963 -8.327 -3.769 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.242 -9.383 -2.763 1.00 0.00 C ATOM 1712 C ALA A 114 -11.914 -9.849 -2.171 1.00 0.00 C ATOM 1713 O ALA A 114 -11.798 -10.069 -0.982 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.960 -10.559 -3.426 1.00 0.00 C ATOM 0 H ALA A 114 -12.948 -8.639 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.883 -8.987 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.161 -11.329 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.901 -10.215 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.331 -10.972 -4.214 1.00 0.00 H new ATOM 1720 N THR A 115 -10.901 -9.982 -2.985 1.00 0.00 N ATOM 1721 CA THR A 115 -9.584 -10.409 -2.446 1.00 0.00 C ATOM 1722 C THR A 115 -8.999 -9.252 -1.638 1.00 0.00 C ATOM 1723 O THR A 115 -8.752 -9.390 -0.455 1.00 0.00 O ATOM 1724 CB THR A 115 -8.641 -10.789 -3.586 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.207 -10.376 -4.815 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.439 -12.304 -3.598 1.00 0.00 C ATOM 0 H THR A 115 -10.930 -9.814 -3.991 1.00 0.00 H new ATOM 0 HA THR A 115 -9.709 -11.284 -1.808 1.00 0.00 H new ATOM 0 HB THR A 115 -7.678 -10.299 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.308 -11.151 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.766 -12.575 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.007 -12.621 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.400 -12.798 -3.742 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.786 -8.099 -2.237 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.241 -6.976 -1.430 1.00 0.00 C ATOM 1736 C LEU A 116 -9.093 -6.824 -0.165 1.00 0.00 C ATOM 1737 O LEU A 116 -8.583 -6.558 0.904 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.286 -5.678 -2.234 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.035 -4.840 -1.919 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.788 -5.498 -2.513 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.175 -3.437 -2.514 1.00 0.00 C ATOM 0 H LEU A 116 -8.963 -7.898 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.205 -7.186 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.330 -5.899 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.186 -5.115 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.936 -4.776 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.912 -4.893 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.664 -6.494 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.899 -5.577 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.283 -2.854 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.292 -3.510 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.050 -2.946 -2.087 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.389 -7.000 -0.274 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.257 -6.871 0.925 1.00 0.00 C ATOM 1755 C GLU A 117 -10.836 -7.900 1.975 1.00 0.00 C ATOM 1756 O GLU A 117 -10.613 -7.576 3.125 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.717 -7.109 0.533 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.549 -7.399 1.785 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.530 -8.900 2.078 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.777 -9.666 1.161 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.268 -9.259 3.214 1.00 0.00 O ATOM 0 H GLU A 117 -10.876 -7.226 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.153 -5.868 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.112 -6.234 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.785 -7.946 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.149 -6.847 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.575 -7.060 1.639 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.729 -9.139 1.584 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.325 -10.200 2.552 1.00 0.00 C ATOM 1770 C GLU A 118 -9.127 -9.715 3.371 1.00 0.00 C ATOM 1771 O GLU A 118 -9.189 -9.616 4.581 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.940 -11.471 1.789 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.196 -12.292 1.488 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.803 -13.567 0.738 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.626 -13.728 0.461 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.685 -14.360 0.454 1.00 0.00 O ATOM 0 H GLU A 118 -10.904 -9.465 0.633 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.159 -10.416 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.433 -11.210 0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.240 -12.063 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.709 -12.546 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.893 -11.705 0.889 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.037 -9.407 2.721 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.839 -8.924 3.466 1.00 0.00 C ATOM 1785 C LYS A 119 -7.229 -7.708 4.307 1.00 0.00 C ATOM 1786 O LYS A 119 -6.927 -7.628 5.482 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.748 -8.528 2.469 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.371 -9.743 1.619 1.00 0.00 C ATOM 1789 CD LYS A 119 -3.860 -9.970 1.694 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.488 -11.196 0.858 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.154 -12.404 1.424 1.00 0.00 N ATOM 0 H LYS A 119 -7.924 -9.469 1.709 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.465 -9.714 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.101 -7.718 1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.872 -8.156 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.900 -10.627 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.675 -9.584 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.330 -9.091 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.554 -10.116 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.795 -11.050 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.407 -11.332 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.650 -13.258 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.137 -12.355 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.140 -12.443 1.095 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.902 -6.764 3.711 1.00 0.00 N ATOM 1806 CA LEU A 120 -8.328 -5.547 4.460 1.00 0.00 C ATOM 1807 C LEU A 120 -8.923 -5.972 5.808 1.00 0.00 C ATOM 1808 O LEU A 120 -8.360 -5.718 6.851 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.392 -4.802 3.628 1.00 0.00 C ATOM 1810 CG LEU A 120 -9.184 -3.274 3.639 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -9.373 -2.726 5.050 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -7.781 -2.914 3.135 1.00 0.00 C ATOM 0 H LEU A 120 -8.178 -6.783 2.729 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.476 -4.890 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.363 -5.162 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.383 -5.034 4.019 1.00 0.00 H new ATOM 0 HG LEU A 120 -9.924 -2.827 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.223 -1.646 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.382 -2.951 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.649 -3.189 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -7.655 -1.831 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -7.033 -3.376 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -7.656 -3.279 2.116 1.00 0.00 H new ATOM 1824 N ASN A 121 -10.055 -6.613 5.797 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.683 -7.042 7.079 1.00 0.00 C ATOM 1826 C ASN A 121 -9.722 -7.929 7.877 1.00 0.00 C ATOM 1827 O ASN A 121 -9.849 -8.066 9.077 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.960 -7.829 6.777 1.00 0.00 C ATOM 1829 CG ASN A 121 -13.182 -6.947 7.038 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.722 -6.945 8.126 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.645 -6.195 6.078 1.00 0.00 N ATOM 0 H ASN A 121 -10.575 -6.860 4.955 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.918 -6.156 7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.956 -8.164 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -12.004 -8.722 7.400 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.461 -5.605 6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.191 -6.197 5.165 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.772 -8.543 7.229 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.826 -9.425 7.969 1.00 0.00 C ATOM 1840 C LYS A 122 -6.732 -8.588 8.638 1.00 0.00 C ATOM 1841 O LYS A 122 -6.125 -9.005 9.604 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.180 -10.416 6.997 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.594 -11.594 7.781 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.250 -12.002 7.171 1.00 0.00 C ATOM 1845 CE LYS A 122 -4.160 -11.032 7.635 1.00 0.00 C ATOM 1846 NZ LYS A 122 -3.231 -10.750 6.505 1.00 0.00 N ATOM 0 H LYS A 122 -8.610 -8.473 6.224 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.380 -9.967 8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.920 -10.774 6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.396 -9.921 6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.461 -11.317 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.285 -12.437 7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.997 -13.019 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.316 -11.997 6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.610 -10.105 7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.610 -11.460 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.491 -10.091 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.792 -11.637 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.761 -10.324 5.718 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.459 -7.418 8.128 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.390 -6.575 8.737 1.00 0.00 C ATOM 1862 C ILE A 123 -5.969 -5.664 9.822 1.00 0.00 C ATOM 1863 O ILE A 123 -5.339 -5.411 10.830 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.750 -5.705 7.656 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.742 -6.546 6.863 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -4.032 -4.522 8.319 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.235 -5.757 5.653 1.00 0.00 C ATOM 0 H ILE A 123 -6.928 -7.010 7.319 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.646 -7.234 9.184 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.517 -5.328 6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.904 -6.823 7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.211 -7.473 6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.574 -3.898 7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.752 -3.931 8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.260 -4.896 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.520 -6.363 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.075 -5.503 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.749 -4.843 5.993 1.00 0.00 H new ATOM 1879 N PHE A 124 -7.142 -5.135 9.613 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.723 -4.207 10.622 1.00 0.00 C ATOM 1881 C PHE A 124 -8.071 -4.940 11.916 1.00 0.00 C ATOM 1882 O PHE A 124 -8.238 -4.326 12.950 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.960 -3.539 10.036 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.502 -2.407 9.153 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.796 -2.696 7.986 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.766 -1.077 9.502 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.356 -1.664 7.160 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.321 -0.039 8.671 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.617 -0.336 7.498 1.00 0.00 C ATOM 0 H PHE A 124 -7.721 -5.304 8.791 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.981 -3.448 10.868 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.546 -4.257 9.462 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.605 -3.165 10.832 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.590 -3.723 7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.310 -0.852 10.407 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.812 -1.893 6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.521 0.989 8.936 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.276 0.462 6.855 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.159 -6.239 11.892 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.469 -6.957 13.156 1.00 0.00 C ATOM 1901 C GLU A 125 -7.337 -6.676 14.139 1.00 0.00 C ATOM 1902 O GLU A 125 -7.525 -6.664 15.339 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.574 -8.460 12.893 1.00 0.00 C ATOM 1904 CG GLU A 125 -7.701 -8.831 11.695 1.00 0.00 C ATOM 1905 CD GLU A 125 -7.437 -10.337 11.705 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.380 -11.084 11.905 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -6.294 -10.720 11.511 1.00 0.00 O ATOM 0 H GLU A 125 -8.032 -6.826 11.067 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.421 -6.617 13.564 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.256 -9.017 13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.611 -8.734 12.699 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.196 -8.544 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.758 -8.285 11.735 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.163 -6.422 13.628 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.013 -6.108 14.514 1.00 0.00 C ATOM 1916 C LYS A 126 -5.014 -4.603 14.777 1.00 0.00 C ATOM 1917 O LYS A 126 -4.558 -4.138 15.803 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.707 -6.512 13.828 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.523 -6.157 14.731 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.386 -7.155 14.498 1.00 0.00 C ATOM 1921 CE LYS A 126 -0.134 -6.687 15.242 1.00 0.00 C ATOM 1922 NZ LYS A 126 1.010 -7.577 14.898 1.00 0.00 N ATOM 0 H LYS A 126 -5.953 -6.419 12.630 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.098 -6.656 15.452 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.710 -7.582 13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.614 -6.000 12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.181 -5.144 14.519 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.830 -6.177 15.777 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.680 -8.145 14.847 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -1.177 -7.242 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.099 -5.657 14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.310 -6.703 16.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.861 -7.259 15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.786 -8.554 15.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 1.182 -7.540 13.873 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.540 -3.838 13.856 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.590 -2.364 14.051 1.00 0.00 C ATOM 1938 C LEU A 127 -6.597 -2.049 15.158 1.00 0.00 C ATOM 1939 O LEU A 127 -6.503 -1.042 15.829 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.027 -1.679 12.748 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.810 -0.170 12.867 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.646 0.251 11.969 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -7.080 0.563 12.430 1.00 0.00 C ATOM 0 H LEU A 127 -5.936 -4.173 12.978 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.602 -1.996 14.329 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.456 -2.074 11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.077 -1.891 12.548 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.581 0.083 13.902 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.492 1.327 12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.741 -0.271 12.278 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.875 -0.002 10.934 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.926 1.639 12.514 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.309 0.309 11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.911 0.264 13.069 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.561 -2.912 15.357 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.569 -2.664 16.425 1.00 0.00 C ATOM 1957 C GLY A 128 -9.364 -1.399 16.099 1.00 0.00 C ATOM 1958 O GLY A 128 -9.252 -0.394 16.772 1.00 0.00 O ATOM 0 H GLY A 128 -7.691 -3.774 14.827 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.242 -3.517 16.508 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.072 -2.555 17.389 1.00 0.00 H new ATOM 1962 N MET A 129 -10.166 -1.442 15.072 1.00 0.00 N ATOM 1963 CA MET A 129 -10.968 -0.242 14.703 1.00 0.00 C ATOM 1964 C MET A 129 -12.312 -0.284 15.433 1.00 0.00 C ATOM 1965 O MET A 129 -12.584 0.635 16.186 1.00 0.00 O ATOM 1966 CB MET A 129 -11.212 -0.245 13.194 1.00 0.00 C ATOM 1967 CG MET A 129 -11.326 -1.688 12.704 1.00 0.00 C ATOM 1968 SD MET A 129 -11.906 -1.703 10.991 1.00 0.00 S ATOM 1969 CE MET A 129 -12.284 -3.471 10.897 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.047 -1.237 15.225 1.00 0.00 O ATOM 0 H MET A 129 -10.301 -2.256 14.472 1.00 0.00 H new ATOM 0 HA MET A 129 -10.428 0.661 14.987 1.00 0.00 H new ATOM 0 HB2 MET A 129 -12.124 0.304 12.960 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.395 0.262 12.681 1.00 0.00 H new ATOM 0 HG2 MET A 129 -10.358 -2.184 12.775 1.00 0.00 H new ATOM 0 HG3 MET A 129 -12.017 -2.244 13.337 1.00 0.00 H new ATOM 0 HE1 MET A 129 -12.128 -3.823 9.877 1.00 0.00 H new ATOM 0 HE2 MET A 129 -11.629 -4.020 11.574 1.00 0.00 H new ATOM 0 HE3 MET A 129 -13.323 -3.637 11.183 1.00 0.00 H new