USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 662 hydrogens (21 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 32 THR OG1 : rot 180:sc= 1.07 USER MOD Set 1.2: A 35 SER OG : rot 68:sc= 1.23 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.273 USER MOD Single : A 10 ASN : amide:sc= -0.15! X(o=-0.15!,f=-0.35) USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 1.17 (180deg=1.15) USER MOD Single : A 17 MET CE :methyl 172:sc= -0.497 (180deg=-0.798) USER MOD Single : A 21 SER OG : rot 57:sc= 1.32 USER MOD Single : A 24 SER OG : rot 89:sc= 0.247 USER MOD Single : A 36 ASN : amide:sc= -1.75 K(o=-1.7,f=-3!) USER MOD Single : A 40 MET CE :methyl -105:sc= -0.895 (180deg=-2.19) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 78:sc= -1.91! USER MOD Single : A 48 MET CE :methyl 168:sc= -1 (180deg=-1.17) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 150:sc= -0.0798 USER MOD Single : A 72 CYS SG : rot -4:sc= -0.0301 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= -1.85! (180deg=-2.37!) USER MOD Single : A 82 MET CE :methyl -135:sc= -1.44 (180deg=-5.64!) USER MOD Single : A 85 SER OG : rot -29:sc= 1.01 USER MOD Single : A 90 PNS O33 : rot -150:sc= 0.022 USER MOD Single : A 90 PNS S44 : rot 180:sc= 0.00718 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.349 0.102 8.543 1.00 9.14 N ATOM 2 CA ALA A 1 -21.441 0.568 7.660 1.00 8.68 C ATOM 3 C ALA A 1 -20.990 0.541 6.207 1.00 7.71 C ATOM 4 O ALA A 1 -21.434 -0.298 5.425 1.00 7.65 O ATOM 5 CB ALA A 1 -21.895 1.967 8.051 1.00 9.06 C ATOM 0 H1 ALA A 1 -20.669 0.125 9.532 1.00 9.14 H new ATOM 0 H2 ALA A 1 -20.086 -0.871 8.286 1.00 9.14 H new ATOM 0 H3 ALA A 1 -19.523 0.724 8.432 1.00 9.14 H new ATOM 0 HA ALA A 1 -22.289 -0.107 7.777 1.00 8.68 H new ATOM 0 HB1 ALA A 1 -22.698 2.288 7.388 1.00 9.06 H new ATOM 0 HB2 ALA A 1 -22.256 1.958 9.080 1.00 9.06 H new ATOM 0 HB3 ALA A 1 -21.057 2.659 7.966 1.00 9.06 H new ATOM 13 N MET A 2 -20.099 1.458 5.855 1.00 7.24 N ATOM 14 CA MET A 2 -19.535 1.500 4.517 1.00 6.51 C ATOM 15 C MET A 2 -18.112 0.950 4.547 1.00 5.64 C ATOM 16 O MET A 2 -17.153 1.709 4.657 1.00 5.84 O ATOM 17 CB MET A 2 -19.536 2.930 3.973 1.00 6.99 C ATOM 18 CG MET A 2 -20.925 3.549 3.872 1.00 7.26 C ATOM 19 SD MET A 2 -22.034 2.610 2.803 1.00 8.19 S ATOM 20 CE MET A 2 -23.545 3.561 2.958 1.00 8.72 C ATOM 0 H MET A 2 -19.752 2.184 6.481 1.00 7.24 H new ATOM 0 HA MET A 2 -20.148 0.885 3.857 1.00 6.51 H new ATOM 0 HB2 MET A 2 -18.916 3.554 4.617 1.00 6.99 H new ATOM 0 HB3 MET A 2 -19.074 2.933 2.986 1.00 6.99 H new ATOM 0 HG2 MET A 2 -21.360 3.617 4.869 1.00 7.26 H new ATOM 0 HG3 MET A 2 -20.837 4.567 3.492 1.00 7.26 H new ATOM 0 HE1 MET A 2 -24.327 3.103 2.352 1.00 8.72 H new ATOM 0 HE2 MET A 2 -23.858 3.578 4.002 1.00 8.72 H new ATOM 0 HE3 MET A 2 -23.370 4.581 2.615 1.00 8.72 H new ATOM 30 N ALA A 3 -17.988 -0.376 4.498 1.00 5.02 N ATOM 31 CA ALA A 3 -16.696 -1.038 4.597 1.00 4.45 C ATOM 32 C ALA A 3 -16.829 -2.511 4.241 1.00 3.68 C ATOM 33 O ALA A 3 -17.833 -3.150 4.567 1.00 4.10 O ATOM 34 CB ALA A 3 -16.127 -0.890 6.006 1.00 5.17 C ATOM 0 H ALA A 3 -18.776 -1.014 4.389 1.00 5.02 H new ATOM 0 HA ALA A 3 -16.012 -0.565 3.892 1.00 4.45 H new ATOM 0 HB1 ALA A 3 -15.161 -1.391 6.063 1.00 5.17 H new ATOM 0 HB2 ALA A 3 -16.002 0.168 6.239 1.00 5.17 H new ATOM 0 HB3 ALA A 3 -16.812 -1.341 6.724 1.00 5.17 H new ATOM 40 N LYS A 4 -15.831 -3.038 3.554 1.00 3.03 N ATOM 41 CA LYS A 4 -15.792 -4.451 3.221 1.00 2.69 C ATOM 42 C LYS A 4 -14.345 -4.922 3.141 1.00 2.05 C ATOM 43 O LYS A 4 -13.522 -4.297 2.472 1.00 2.46 O ATOM 44 CB LYS A 4 -16.502 -4.703 1.891 1.00 3.47 C ATOM 45 CG LYS A 4 -16.565 -6.172 1.499 1.00 4.10 C ATOM 46 CD LYS A 4 -17.063 -6.343 0.076 1.00 5.04 C ATOM 47 CE LYS A 4 -16.941 -7.783 -0.377 1.00 5.94 C ATOM 48 NZ LYS A 4 -17.264 -7.932 -1.817 1.00 6.66 N ATOM 0 H LYS A 4 -15.031 -2.504 3.214 1.00 3.03 H new ATOM 0 HA LYS A 4 -16.307 -5.012 4.001 1.00 2.69 H new ATOM 0 HB2 LYS A 4 -17.516 -4.308 1.950 1.00 3.47 H new ATOM 0 HB3 LYS A 4 -15.990 -4.148 1.105 1.00 3.47 H new ATOM 0 HG2 LYS A 4 -15.576 -6.619 1.596 1.00 4.10 H new ATOM 0 HG3 LYS A 4 -17.225 -6.705 2.184 1.00 4.10 H new ATOM 0 HD2 LYS A 4 -18.104 -6.026 0.011 1.00 5.04 H new ATOM 0 HD3 LYS A 4 -16.491 -5.699 -0.592 1.00 5.04 H new ATOM 0 HE2 LYS A 4 -15.927 -8.138 -0.192 1.00 5.94 H new ATOM 0 HE3 LYS A 4 -17.611 -8.409 0.213 1.00 5.94 H new ATOM 0 HZ1 LYS A 4 -17.170 -8.930 -2.092 1.00 6.66 H new ATOM 0 HZ2 LYS A 4 -18.240 -7.616 -1.988 1.00 6.66 H new ATOM 0 HZ3 LYS A 4 -16.609 -7.354 -2.381 1.00 6.66 H new ATOM 62 N GLY A 5 -14.037 -6.006 3.837 1.00 1.74 N ATOM 63 CA GLY A 5 -12.693 -6.545 3.815 1.00 1.46 C ATOM 64 C GLY A 5 -12.384 -7.258 2.515 1.00 1.22 C ATOM 65 O GLY A 5 -13.129 -8.144 2.093 1.00 1.37 O ATOM 0 H GLY A 5 -14.696 -6.524 4.418 1.00 1.74 H new ATOM 0 HA2 GLY A 5 -11.977 -5.737 3.963 1.00 1.46 H new ATOM 0 HA3 GLY A 5 -12.568 -7.239 4.647 1.00 1.46 H new ATOM 69 N VAL A 6 -11.292 -6.867 1.876 1.00 1.00 N ATOM 70 CA VAL A 6 -10.888 -7.472 0.616 1.00 0.85 C ATOM 71 C VAL A 6 -10.203 -8.810 0.873 1.00 0.64 C ATOM 72 O VAL A 6 -10.803 -9.867 0.679 1.00 0.79 O ATOM 73 CB VAL A 6 -9.947 -6.545 -0.181 1.00 0.87 C ATOM 74 CG1 VAL A 6 -9.632 -7.129 -1.553 1.00 0.90 C ATOM 75 CG2 VAL A 6 -10.553 -5.158 -0.322 1.00 1.14 C ATOM 0 H VAL A 6 -10.669 -6.132 2.210 1.00 1.00 H new ATOM 0 HA VAL A 6 -11.787 -7.632 0.020 1.00 0.85 H new ATOM 0 HB VAL A 6 -9.013 -6.461 0.374 1.00 0.87 H new ATOM 0 HG11 VAL A 6 -8.967 -6.454 -2.092 1.00 0.90 H new ATOM 0 HG12 VAL A 6 -9.147 -8.098 -1.433 1.00 0.90 H new ATOM 0 HG13 VAL A 6 -10.557 -7.254 -2.116 1.00 0.90 H new ATOM 0 HG21 VAL A 6 -9.874 -4.520 -0.887 1.00 1.14 H new ATOM 0 HG22 VAL A 6 -11.506 -5.229 -0.847 1.00 1.14 H new ATOM 0 HG23 VAL A 6 -10.715 -4.729 0.667 1.00 1.14 H new ATOM 85 N GLY A 7 -8.960 -8.761 1.335 1.00 0.47 N ATOM 86 CA GLY A 7 -8.208 -9.980 1.557 1.00 0.42 C ATOM 87 C GLY A 7 -7.448 -10.389 0.317 1.00 0.41 C ATOM 88 O GLY A 7 -8.041 -10.824 -0.669 1.00 0.53 O ATOM 0 H GLY A 7 -8.460 -7.901 1.559 1.00 0.47 H new ATOM 0 HA2 GLY A 7 -7.511 -9.835 2.382 1.00 0.42 H new ATOM 0 HA3 GLY A 7 -8.887 -10.780 1.851 1.00 0.42 H new ATOM 92 N VAL A 8 -6.135 -10.242 0.355 1.00 0.33 N ATOM 93 CA VAL A 8 -5.321 -10.495 -0.819 1.00 0.32 C ATOM 94 C VAL A 8 -4.505 -11.773 -0.653 1.00 0.35 C ATOM 95 O VAL A 8 -4.262 -12.229 0.466 1.00 0.39 O ATOM 96 CB VAL A 8 -4.371 -9.307 -1.135 1.00 0.32 C ATOM 97 CG1 VAL A 8 -5.116 -7.981 -1.100 1.00 0.36 C ATOM 98 CG2 VAL A 8 -3.183 -9.286 -0.186 1.00 0.33 C ATOM 0 H VAL A 8 -5.613 -9.950 1.181 1.00 0.33 H new ATOM 0 HA VAL A 8 -6.008 -10.614 -1.657 1.00 0.32 H new ATOM 0 HB VAL A 8 -3.991 -9.451 -2.146 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -4.424 -7.169 -1.325 1.00 0.36 H new ATOM 0 HG12 VAL A 8 -5.915 -7.993 -1.841 1.00 0.36 H new ATOM 0 HG13 VAL A 8 -5.543 -7.830 -0.109 1.00 0.36 H new ATOM 0 HG21 VAL A 8 -2.536 -8.444 -0.432 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -3.538 -9.184 0.839 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -2.622 -10.215 -0.285 1.00 0.33 H new ATOM 108 N SER A 9 -4.101 -12.352 -1.774 1.00 0.37 N ATOM 109 CA SER A 9 -3.225 -13.508 -1.773 1.00 0.42 C ATOM 110 C SER A 9 -1.772 -13.042 -1.707 1.00 0.34 C ATOM 111 O SER A 9 -1.498 -11.843 -1.793 1.00 0.31 O ATOM 112 CB SER A 9 -3.469 -14.336 -3.046 1.00 0.52 C ATOM 113 OG SER A 9 -2.583 -15.442 -3.139 1.00 1.56 O ATOM 0 H SER A 9 -4.371 -12.033 -2.705 1.00 0.37 H new ATOM 0 HA SER A 9 -3.434 -14.132 -0.904 1.00 0.42 H new ATOM 0 HB2 SER A 9 -4.498 -14.694 -3.054 1.00 0.52 H new ATOM 0 HB3 SER A 9 -3.347 -13.699 -3.922 1.00 0.52 H new ATOM 0 HG SER A 9 -2.771 -15.944 -3.960 1.00 1.56 H new ATOM 119 N ASN A 10 -0.849 -13.988 -1.589 1.00 0.38 N ATOM 120 CA ASN A 10 0.585 -13.687 -1.591 1.00 0.41 C ATOM 121 C ASN A 10 0.946 -13.059 -2.934 1.00 0.36 C ATOM 122 O ASN A 10 1.930 -12.348 -3.064 1.00 0.38 O ATOM 123 CB ASN A 10 1.387 -14.979 -1.352 1.00 0.52 C ATOM 124 CG ASN A 10 2.846 -14.765 -0.949 1.00 1.20 C ATOM 125 OD1 ASN A 10 3.373 -15.501 -0.113 1.00 2.02 O ATOM 126 ND2 ASN A 10 3.518 -13.791 -1.543 1.00 1.73 N ATOM 0 H ASN A 10 -1.066 -14.980 -1.490 1.00 0.38 H new ATOM 0 HA ASN A 10 0.829 -12.987 -0.792 1.00 0.41 H new ATOM 0 HB2 ASN A 10 0.891 -15.558 -0.573 1.00 0.52 H new ATOM 0 HB3 ASN A 10 1.361 -15.579 -2.261 1.00 0.52 H new ATOM 0 HD21 ASN A 10 4.499 -13.634 -1.312 1.00 1.73 H new ATOM 0 HD22 ASN A 10 3.055 -13.198 -2.231 1.00 1.73 H new ATOM 133 N GLU A 11 0.102 -13.326 -3.918 1.00 0.37 N ATOM 134 CA GLU A 11 0.220 -12.740 -5.243 1.00 0.41 C ATOM 135 C GLU A 11 0.076 -11.222 -5.179 1.00 0.36 C ATOM 136 O GLU A 11 0.933 -10.481 -5.659 1.00 0.35 O ATOM 137 CB GLU A 11 -0.868 -13.337 -6.147 1.00 0.54 C ATOM 138 CG GLU A 11 -1.137 -12.533 -7.408 1.00 0.92 C ATOM 139 CD GLU A 11 -2.570 -12.665 -7.880 1.00 1.39 C ATOM 140 OE1 GLU A 11 -3.468 -12.060 -7.267 1.00 1.75 O ATOM 141 OE2 GLU A 11 -2.801 -13.396 -8.867 1.00 1.91 O ATOM 0 H GLU A 11 -0.690 -13.961 -3.818 1.00 0.37 H new ATOM 0 HA GLU A 11 1.206 -12.966 -5.650 1.00 0.41 H new ATOM 0 HB2 GLU A 11 -0.576 -14.349 -6.429 1.00 0.54 H new ATOM 0 HB3 GLU A 11 -1.794 -13.420 -5.577 1.00 0.54 H new ATOM 0 HG2 GLU A 11 -0.914 -11.483 -7.221 1.00 0.92 H new ATOM 0 HG3 GLU A 11 -0.464 -12.866 -8.199 1.00 0.92 H new ATOM 148 N LYS A 12 -1.006 -10.760 -4.566 1.00 0.35 N ATOM 149 CA LYS A 12 -1.246 -9.329 -4.435 1.00 0.33 C ATOM 150 C LYS A 12 -0.272 -8.721 -3.437 1.00 0.27 C ATOM 151 O LYS A 12 0.019 -7.527 -3.485 1.00 0.29 O ATOM 152 CB LYS A 12 -2.692 -9.060 -4.020 1.00 0.43 C ATOM 153 CG LYS A 12 -3.718 -9.418 -5.110 1.00 0.89 C ATOM 154 CD LYS A 12 -3.637 -8.461 -6.296 1.00 1.03 C ATOM 155 CE LYS A 12 -4.755 -8.710 -7.307 1.00 0.87 C ATOM 156 NZ LYS A 12 -4.433 -9.826 -8.235 1.00 1.58 N ATOM 0 H LYS A 12 -1.728 -11.351 -4.154 1.00 0.35 H new ATOM 0 HA LYS A 12 -1.083 -8.858 -5.405 1.00 0.33 H new ATOM 0 HB2 LYS A 12 -2.916 -9.631 -3.119 1.00 0.43 H new ATOM 0 HB3 LYS A 12 -2.798 -8.006 -3.764 1.00 0.43 H new ATOM 0 HG2 LYS A 12 -3.544 -10.438 -5.453 1.00 0.89 H new ATOM 0 HG3 LYS A 12 -4.723 -9.390 -4.688 1.00 0.89 H new ATOM 0 HD2 LYS A 12 -3.694 -7.433 -5.938 1.00 1.03 H new ATOM 0 HD3 LYS A 12 -2.671 -8.574 -6.788 1.00 1.03 H new ATOM 0 HE2 LYS A 12 -5.679 -8.936 -6.776 1.00 0.87 H new ATOM 0 HE3 LYS A 12 -4.932 -7.801 -7.882 1.00 0.87 H new ATOM 0 HZ1 LYS A 12 -5.315 -10.262 -8.573 1.00 1.58 H new ATOM 0 HZ2 LYS A 12 -3.895 -9.459 -9.046 1.00 1.58 H new ATOM 0 HZ3 LYS A 12 -3.864 -10.539 -7.736 1.00 1.58 H new ATOM 170 N LEU A 13 0.241 -9.559 -2.542 1.00 0.25 N ATOM 171 CA LEU A 13 1.267 -9.135 -1.599 1.00 0.24 C ATOM 172 C LEU A 13 2.615 -9.003 -2.311 1.00 0.24 C ATOM 173 O LEU A 13 3.471 -8.224 -1.897 1.00 0.29 O ATOM 174 CB LEU A 13 1.380 -10.138 -0.444 1.00 0.29 C ATOM 175 CG LEU A 13 2.149 -9.636 0.776 1.00 0.38 C ATOM 176 CD1 LEU A 13 1.306 -8.652 1.576 1.00 0.82 C ATOM 177 CD2 LEU A 13 2.589 -10.803 1.644 1.00 0.99 C ATOM 0 H LEU A 13 -0.038 -10.536 -2.451 1.00 0.25 H new ATOM 0 HA LEU A 13 0.984 -8.164 -1.192 1.00 0.24 H new ATOM 0 HB2 LEU A 13 0.376 -10.421 -0.130 1.00 0.29 H new ATOM 0 HB3 LEU A 13 1.865 -11.041 -0.814 1.00 0.29 H new ATOM 0 HG LEU A 13 3.041 -9.113 0.430 1.00 0.38 H new ATOM 0 HD11 LEU A 13 1.873 -8.307 2.441 1.00 0.82 H new ATOM 0 HD12 LEU A 13 1.047 -7.800 0.948 1.00 0.82 H new ATOM 0 HD13 LEU A 13 0.394 -9.144 1.913 1.00 0.82 H new ATOM 0 HD21 LEU A 13 3.136 -10.427 2.509 1.00 0.99 H new ATOM 0 HD22 LEU A 13 1.713 -11.357 1.981 1.00 0.99 H new ATOM 0 HD23 LEU A 13 3.235 -11.463 1.066 1.00 0.99 H new ATOM 189 N ASP A 14 2.795 -9.758 -3.391 1.00 0.25 N ATOM 190 CA ASP A 14 4.032 -9.708 -4.158 1.00 0.29 C ATOM 191 C ASP A 14 3.980 -8.550 -5.142 1.00 0.27 C ATOM 192 O ASP A 14 4.998 -7.941 -5.474 1.00 0.34 O ATOM 193 CB ASP A 14 4.235 -11.034 -4.909 1.00 0.36 C ATOM 194 CG ASP A 14 5.618 -11.619 -4.724 1.00 0.61 C ATOM 195 OD1 ASP A 14 6.000 -11.874 -3.563 1.00 0.83 O ATOM 196 OD2 ASP A 14 6.339 -11.797 -5.727 1.00 0.88 O ATOM 0 H ASP A 14 2.100 -10.411 -3.753 1.00 0.25 H new ATOM 0 HA ASP A 14 4.871 -9.557 -3.478 1.00 0.29 H new ATOM 0 HB2 ASP A 14 3.494 -11.756 -4.566 1.00 0.36 H new ATOM 0 HB3 ASP A 14 4.055 -10.873 -5.972 1.00 0.36 H new ATOM 201 N ALA A 15 2.770 -8.222 -5.581 1.00 0.21 N ATOM 202 CA ALA A 15 2.583 -7.194 -6.587 1.00 0.23 C ATOM 203 C ALA A 15 2.582 -5.802 -5.965 1.00 0.22 C ATOM 204 O ALA A 15 2.926 -4.818 -6.614 1.00 0.30 O ATOM 205 CB ALA A 15 1.293 -7.428 -7.358 1.00 0.25 C ATOM 0 H ALA A 15 1.907 -8.655 -5.253 1.00 0.21 H new ATOM 0 HA ALA A 15 3.422 -7.253 -7.280 1.00 0.23 H new ATOM 0 HB1 ALA A 15 1.170 -6.647 -8.108 1.00 0.25 H new ATOM 0 HB2 ALA A 15 1.334 -8.400 -7.850 1.00 0.25 H new ATOM 0 HB3 ALA A 15 0.448 -7.406 -6.669 1.00 0.25 H new ATOM 211 N VAL A 16 2.196 -5.715 -4.706 1.00 0.17 N ATOM 212 CA VAL A 16 2.184 -4.433 -4.022 1.00 0.17 C ATOM 213 C VAL A 16 3.595 -3.913 -3.797 1.00 0.17 C ATOM 214 O VAL A 16 3.880 -2.738 -4.035 1.00 0.18 O ATOM 215 CB VAL A 16 1.427 -4.494 -2.681 1.00 0.20 C ATOM 216 CG1 VAL A 16 1.910 -5.658 -1.831 1.00 0.22 C ATOM 217 CG2 VAL A 16 1.580 -3.178 -1.929 1.00 0.23 C ATOM 0 H VAL A 16 1.890 -6.506 -4.140 1.00 0.17 H new ATOM 0 HA VAL A 16 1.653 -3.741 -4.675 1.00 0.17 H new ATOM 0 HB VAL A 16 0.370 -4.654 -2.893 1.00 0.20 H new ATOM 0 HG11 VAL A 16 1.358 -5.676 -0.891 1.00 0.22 H new ATOM 0 HG12 VAL A 16 1.745 -6.593 -2.367 1.00 0.22 H new ATOM 0 HG13 VAL A 16 2.974 -5.541 -1.625 1.00 0.22 H new ATOM 0 HG21 VAL A 16 1.041 -3.234 -0.984 1.00 0.23 H new ATOM 0 HG22 VAL A 16 2.636 -2.991 -1.734 1.00 0.23 H new ATOM 0 HG23 VAL A 16 1.173 -2.366 -2.531 1.00 0.23 H new ATOM 227 N MET A 17 4.482 -4.793 -3.361 1.00 0.19 N ATOM 228 CA MET A 17 5.842 -4.404 -3.035 1.00 0.23 C ATOM 229 C MET A 17 6.574 -3.913 -4.281 1.00 0.24 C ATOM 230 O MET A 17 7.429 -3.034 -4.196 1.00 0.31 O ATOM 231 CB MET A 17 6.601 -5.571 -2.397 1.00 0.25 C ATOM 232 CG MET A 17 5.964 -6.091 -1.122 1.00 0.29 C ATOM 233 SD MET A 17 6.866 -7.478 -0.407 1.00 0.36 S ATOM 234 CE MET A 17 8.477 -6.742 -0.119 1.00 1.63 C ATOM 0 H MET A 17 4.282 -5.784 -3.225 1.00 0.19 H new ATOM 0 HA MET A 17 5.798 -3.587 -2.315 1.00 0.23 H new ATOM 0 HB2 MET A 17 6.668 -6.386 -3.118 1.00 0.25 H new ATOM 0 HB3 MET A 17 7.621 -5.254 -2.179 1.00 0.25 H new ATOM 0 HG2 MET A 17 5.911 -5.283 -0.392 1.00 0.29 H new ATOM 0 HG3 MET A 17 4.940 -6.399 -1.332 1.00 0.29 H new ATOM 0 HE1 MET A 17 9.097 -7.435 0.449 1.00 1.63 H new ATOM 0 HE2 MET A 17 8.955 -6.527 -1.075 1.00 1.63 H new ATOM 0 HE3 MET A 17 8.359 -5.816 0.444 1.00 1.63 H new ATOM 244 N ARG A 18 6.211 -4.453 -5.445 1.00 0.21 N ATOM 245 CA ARG A 18 6.859 -4.061 -6.688 1.00 0.26 C ATOM 246 C ARG A 18 6.397 -2.671 -7.128 1.00 0.23 C ATOM 247 O ARG A 18 7.135 -1.952 -7.793 1.00 0.32 O ATOM 248 CB ARG A 18 6.598 -5.091 -7.790 1.00 0.35 C ATOM 249 CG ARG A 18 5.190 -5.061 -8.340 1.00 0.50 C ATOM 250 CD ARG A 18 4.990 -6.126 -9.404 1.00 0.65 C ATOM 251 NE ARG A 18 3.636 -6.110 -9.974 1.00 1.62 N ATOM 252 CZ ARG A 18 3.070 -7.152 -10.589 1.00 2.12 C ATOM 253 NH1 ARG A 18 3.715 -8.316 -10.670 1.00 2.05 N ATOM 254 NH2 ARG A 18 1.851 -7.034 -11.107 1.00 3.17 N ATOM 0 H ARG A 18 5.479 -5.156 -5.549 1.00 0.21 H new ATOM 0 HA ARG A 18 7.933 -4.022 -6.508 1.00 0.26 H new ATOM 0 HB2 ARG A 18 7.300 -4.920 -8.606 1.00 0.35 H new ATOM 0 HB3 ARG A 18 6.803 -6.087 -7.398 1.00 0.35 H new ATOM 0 HG2 ARG A 18 4.477 -5.215 -7.530 1.00 0.50 H new ATOM 0 HG3 ARG A 18 4.984 -4.078 -8.763 1.00 0.50 H new ATOM 0 HD2 ARG A 18 5.718 -5.978 -10.202 1.00 0.65 H new ATOM 0 HD3 ARG A 18 5.186 -7.107 -8.972 1.00 0.65 H new ATOM 0 HE ARG A 18 3.094 -5.249 -9.895 1.00 1.62 H new ATOM 0 HH11 ARG A 18 4.644 -8.414 -10.261 1.00 2.05 H new ATOM 0 HH12 ARG A 18 3.279 -9.109 -11.141 1.00 2.05 H new ATOM 0 HH21 ARG A 18 1.350 -6.149 -11.034 1.00 3.17 H new ATOM 0 HH22 ARG A 18 1.417 -7.829 -11.577 1.00 3.17 H new ATOM 268 N VAL A 19 5.183 -2.286 -6.729 1.00 0.18 N ATOM 269 CA VAL A 19 4.653 -0.974 -7.068 1.00 0.19 C ATOM 270 C VAL A 19 5.182 0.042 -6.074 1.00 0.19 C ATOM 271 O VAL A 19 5.456 1.194 -6.409 1.00 0.21 O ATOM 272 CB VAL A 19 3.104 -0.982 -7.062 1.00 0.18 C ATOM 273 CG1 VAL A 19 2.532 0.422 -7.215 1.00 0.23 C ATOM 274 CG2 VAL A 19 2.591 -1.894 -8.169 1.00 0.19 C ATOM 0 H VAL A 19 4.554 -2.865 -6.173 1.00 0.18 H new ATOM 0 HA VAL A 19 4.977 -0.707 -8.074 1.00 0.19 H new ATOM 0 HB VAL A 19 2.770 -1.363 -6.097 1.00 0.18 H new ATOM 0 HG11 VAL A 19 1.443 0.374 -7.206 1.00 0.23 H new ATOM 0 HG12 VAL A 19 2.875 1.046 -6.390 1.00 0.23 H new ATOM 0 HG13 VAL A 19 2.869 0.851 -8.159 1.00 0.23 H new ATOM 0 HG21 VAL A 19 1.501 -1.897 -8.162 1.00 0.19 H new ATOM 0 HG22 VAL A 19 2.946 -1.531 -9.133 1.00 0.19 H new ATOM 0 HG23 VAL A 19 2.958 -2.907 -8.005 1.00 0.19 H new ATOM 284 N VAL A 20 5.357 -0.425 -4.848 1.00 0.21 N ATOM 285 CA VAL A 20 5.919 0.389 -3.789 1.00 0.23 C ATOM 286 C VAL A 20 7.390 0.686 -4.075 1.00 0.27 C ATOM 287 O VAL A 20 7.868 1.781 -3.777 1.00 0.33 O ATOM 288 CB VAL A 20 5.753 -0.302 -2.403 1.00 0.23 C ATOM 289 CG1 VAL A 20 6.708 0.280 -1.373 1.00 0.24 C ATOM 290 CG2 VAL A 20 4.316 -0.178 -1.904 1.00 0.22 C ATOM 0 H VAL A 20 5.114 -1.374 -4.563 1.00 0.21 H new ATOM 0 HA VAL A 20 5.374 1.332 -3.756 1.00 0.23 H new ATOM 0 HB VAL A 20 5.993 -1.357 -2.536 1.00 0.23 H new ATOM 0 HG11 VAL A 20 6.565 -0.225 -0.418 1.00 0.24 H new ATOM 0 HG12 VAL A 20 7.735 0.138 -1.708 1.00 0.24 H new ATOM 0 HG13 VAL A 20 6.509 1.345 -1.253 1.00 0.24 H new ATOM 0 HG21 VAL A 20 4.224 -0.668 -0.935 1.00 0.22 H new ATOM 0 HG22 VAL A 20 4.055 0.876 -1.804 1.00 0.22 H new ATOM 0 HG23 VAL A 20 3.641 -0.653 -2.616 1.00 0.22 H new ATOM 300 N SER A 21 8.095 -0.264 -4.690 1.00 0.27 N ATOM 301 CA SER A 21 9.502 -0.060 -5.010 1.00 0.35 C ATOM 302 C SER A 21 9.678 1.162 -5.899 1.00 0.32 C ATOM 303 O SER A 21 10.452 2.068 -5.587 1.00 0.47 O ATOM 304 CB SER A 21 10.081 -1.277 -5.700 1.00 0.46 C ATOM 305 OG SER A 21 9.976 -2.440 -4.897 1.00 1.38 O ATOM 0 H SER A 21 7.719 -1.169 -4.972 1.00 0.27 H new ATOM 0 HA SER A 21 10.036 0.100 -4.073 1.00 0.35 H new ATOM 0 HB2 SER A 21 9.562 -1.440 -6.645 1.00 0.46 H new ATOM 0 HB3 SER A 21 11.129 -1.094 -5.939 1.00 0.46 H new ATOM 0 HG SER A 21 9.037 -2.592 -4.663 1.00 1.38 H new ATOM 311 N GLU A 22 8.927 1.172 -6.990 1.00 0.31 N ATOM 312 CA GLU A 22 8.977 2.245 -7.982 1.00 0.33 C ATOM 313 C GLU A 22 8.759 3.624 -7.361 1.00 0.32 C ATOM 314 O GLU A 22 9.619 4.497 -7.440 1.00 0.43 O ATOM 315 CB GLU A 22 7.902 2.006 -9.046 1.00 0.43 C ATOM 316 CG GLU A 22 7.971 0.632 -9.696 1.00 0.80 C ATOM 317 CD GLU A 22 9.256 0.416 -10.472 1.00 1.42 C ATOM 318 OE1 GLU A 22 9.287 0.736 -11.676 1.00 1.59 O ATOM 319 OE2 GLU A 22 10.237 -0.083 -9.882 1.00 2.26 O ATOM 0 H GLU A 22 8.261 0.434 -7.217 1.00 0.31 H new ATOM 0 HA GLU A 22 9.973 2.231 -8.424 1.00 0.33 H new ATOM 0 HB2 GLU A 22 6.920 2.133 -8.591 1.00 0.43 H new ATOM 0 HB3 GLU A 22 7.995 2.768 -9.820 1.00 0.43 H new ATOM 0 HG2 GLU A 22 7.883 -0.135 -8.926 1.00 0.80 H new ATOM 0 HG3 GLU A 22 7.121 0.509 -10.367 1.00 0.80 H new ATOM 326 N GLU A 23 7.613 3.796 -6.725 1.00 0.28 N ATOM 327 CA GLU A 23 7.151 5.119 -6.307 1.00 0.30 C ATOM 328 C GLU A 23 7.829 5.599 -5.017 1.00 0.32 C ATOM 329 O GLU A 23 7.805 6.790 -4.700 1.00 0.49 O ATOM 330 CB GLU A 23 5.624 5.098 -6.133 1.00 0.37 C ATOM 331 CG GLU A 23 4.879 4.580 -7.356 1.00 0.41 C ATOM 332 CD GLU A 23 5.275 5.270 -8.645 1.00 0.57 C ATOM 333 OE1 GLU A 23 5.471 6.504 -8.645 1.00 0.77 O ATOM 334 OE2 GLU A 23 5.395 4.570 -9.670 1.00 0.74 O ATOM 0 H GLU A 23 6.979 3.035 -6.483 1.00 0.28 H new ATOM 0 HA GLU A 23 7.427 5.827 -7.088 1.00 0.30 H new ATOM 0 HB2 GLU A 23 5.373 4.476 -5.274 1.00 0.37 H new ATOM 0 HB3 GLU A 23 5.278 6.107 -5.907 1.00 0.37 H new ATOM 0 HG2 GLU A 23 5.061 3.510 -7.456 1.00 0.41 H new ATOM 0 HG3 GLU A 23 3.808 4.708 -7.200 1.00 0.41 H new ATOM 341 N SER A 24 8.428 4.678 -4.277 1.00 0.28 N ATOM 342 CA SER A 24 9.099 5.030 -3.030 1.00 0.32 C ATOM 343 C SER A 24 10.602 5.192 -3.242 1.00 0.35 C ATOM 344 O SER A 24 11.240 6.042 -2.620 1.00 0.48 O ATOM 345 CB SER A 24 8.850 3.955 -1.979 1.00 0.37 C ATOM 346 OG SER A 24 7.463 3.719 -1.806 1.00 1.23 O ATOM 0 H SER A 24 8.465 3.687 -4.514 1.00 0.28 H new ATOM 0 HA SER A 24 8.690 5.980 -2.687 1.00 0.32 H new ATOM 0 HB2 SER A 24 9.345 3.030 -2.276 1.00 0.37 H new ATOM 0 HB3 SER A 24 9.291 4.261 -1.030 1.00 0.37 H new ATOM 0 HG SER A 24 7.168 3.026 -2.433 1.00 1.23 H new ATOM 352 N GLY A 25 11.162 4.374 -4.123 1.00 0.31 N ATOM 353 CA GLY A 25 12.603 4.384 -4.323 1.00 0.38 C ATOM 354 C GLY A 25 13.285 3.310 -3.499 1.00 0.42 C ATOM 355 O GLY A 25 14.512 3.270 -3.415 1.00 0.54 O ATOM 0 H GLY A 25 10.651 3.707 -4.701 1.00 0.31 H new ATOM 0 HA2 GLY A 25 12.826 4.231 -5.379 1.00 0.38 H new ATOM 0 HA3 GLY A 25 13.002 5.361 -4.051 1.00 0.38 H new ATOM 359 N ILE A 26 12.484 2.446 -2.880 1.00 0.44 N ATOM 360 CA ILE A 26 13.006 1.353 -2.072 1.00 0.51 C ATOM 361 C ILE A 26 12.877 0.040 -2.834 1.00 0.55 C ATOM 362 O ILE A 26 11.771 -0.468 -3.017 1.00 0.80 O ATOM 363 CB ILE A 26 12.253 1.199 -0.728 1.00 0.54 C ATOM 364 CG1 ILE A 26 11.929 2.561 -0.099 1.00 0.53 C ATOM 365 CG2 ILE A 26 13.081 0.366 0.238 1.00 0.65 C ATOM 366 CD1 ILE A 26 11.006 2.459 1.101 1.00 0.60 C ATOM 0 H ILE A 26 11.466 2.485 -2.925 1.00 0.44 H new ATOM 0 HA ILE A 26 14.049 1.589 -1.862 1.00 0.51 H new ATOM 0 HB ILE A 26 11.309 0.693 -0.932 1.00 0.54 H new ATOM 0 HG12 ILE A 26 12.858 3.044 0.205 1.00 0.53 H new ATOM 0 HG13 ILE A 26 11.468 3.201 -0.851 1.00 0.53 H new ATOM 0 HG21 ILE A 26 12.545 0.262 1.181 1.00 0.65 H new ATOM 0 HG22 ILE A 26 13.256 -0.621 -0.190 1.00 0.65 H new ATOM 0 HG23 ILE A 26 14.037 0.859 0.417 1.00 0.65 H new ATOM 0 HD11 ILE A 26 10.816 3.456 1.500 1.00 0.60 H new ATOM 0 HD12 ILE A 26 10.063 2.004 0.797 1.00 0.60 H new ATOM 0 HD13 ILE A 26 11.475 1.844 1.869 1.00 0.60 H new ATOM 378 N ALA A 27 14.006 -0.482 -3.295 1.00 0.45 N ATOM 379 CA ALA A 27 14.044 -1.742 -4.025 1.00 0.49 C ATOM 380 C ALA A 27 13.417 -2.866 -3.207 1.00 0.45 C ATOM 381 O ALA A 27 13.478 -2.851 -1.978 1.00 0.43 O ATOM 382 CB ALA A 27 15.487 -2.070 -4.393 1.00 0.57 C ATOM 0 H ALA A 27 14.920 -0.045 -3.174 1.00 0.45 H new ATOM 0 HA ALA A 27 13.459 -1.642 -4.939 1.00 0.49 H new ATOM 0 HB1 ALA A 27 15.518 -3.013 -4.939 1.00 0.57 H new ATOM 0 HB2 ALA A 27 15.893 -1.275 -5.018 1.00 0.57 H new ATOM 0 HB3 ALA A 27 16.083 -2.157 -3.485 1.00 0.57 H new ATOM 388 N LEU A 28 12.814 -3.830 -3.901 1.00 0.48 N ATOM 389 CA LEU A 28 12.139 -4.967 -3.270 1.00 0.49 C ATOM 390 C LEU A 28 13.032 -5.640 -2.218 1.00 0.51 C ATOM 391 O LEU A 28 12.545 -6.131 -1.204 1.00 0.52 O ATOM 392 CB LEU A 28 11.764 -5.978 -4.360 1.00 0.57 C ATOM 393 CG LEU A 28 10.811 -7.102 -3.952 1.00 0.62 C ATOM 394 CD1 LEU A 28 9.361 -6.638 -4.005 1.00 0.95 C ATOM 395 CD2 LEU A 28 11.023 -8.298 -4.859 1.00 0.97 C ATOM 0 H LEU A 28 12.779 -3.846 -4.920 1.00 0.48 H new ATOM 0 HA LEU A 28 11.246 -4.607 -2.759 1.00 0.49 H new ATOM 0 HB2 LEU A 28 11.313 -5.433 -5.189 1.00 0.57 H new ATOM 0 HB3 LEU A 28 12.682 -6.429 -4.737 1.00 0.57 H new ATOM 0 HG LEU A 28 11.027 -7.389 -2.923 1.00 0.62 H new ATOM 0 HD11 LEU A 28 8.706 -7.458 -3.710 1.00 0.95 H new ATOM 0 HD12 LEU A 28 9.222 -5.799 -3.323 1.00 0.95 H new ATOM 0 HD13 LEU A 28 9.116 -6.325 -5.020 1.00 0.95 H new ATOM 0 HD21 LEU A 28 10.344 -9.100 -4.569 1.00 0.97 H new ATOM 0 HD22 LEU A 28 10.825 -8.011 -5.892 1.00 0.97 H new ATOM 0 HD23 LEU A 28 12.053 -8.644 -4.770 1.00 0.97 H new ATOM 407 N GLU A 29 14.341 -5.629 -2.460 1.00 0.56 N ATOM 408 CA GLU A 29 15.299 -6.287 -1.569 1.00 0.62 C ATOM 409 C GLU A 29 15.482 -5.510 -0.275 1.00 0.59 C ATOM 410 O GLU A 29 15.903 -6.066 0.739 1.00 0.65 O ATOM 411 CB GLU A 29 16.649 -6.442 -2.254 1.00 0.72 C ATOM 412 CG GLU A 29 16.562 -7.164 -3.583 1.00 0.77 C ATOM 413 CD GLU A 29 16.191 -8.621 -3.419 1.00 1.39 C ATOM 414 OE1 GLU A 29 17.053 -9.410 -2.973 1.00 1.47 O ATOM 415 OE2 GLU A 29 15.048 -8.989 -3.747 1.00 2.23 O ATOM 0 H GLU A 29 14.765 -5.171 -3.267 1.00 0.56 H new ATOM 0 HA GLU A 29 14.894 -7.271 -1.331 1.00 0.62 H new ATOM 0 HB2 GLU A 29 17.085 -5.456 -2.411 1.00 0.72 H new ATOM 0 HB3 GLU A 29 17.324 -6.988 -1.594 1.00 0.72 H new ATOM 0 HG2 GLU A 29 15.822 -6.671 -4.214 1.00 0.77 H new ATOM 0 HG3 GLU A 29 17.520 -7.091 -4.098 1.00 0.77 H new ATOM 422 N GLU A 30 15.161 -4.230 -0.314 1.00 0.52 N ATOM 423 CA GLU A 30 15.347 -3.365 0.841 1.00 0.51 C ATOM 424 C GLU A 30 14.003 -3.004 1.428 1.00 0.43 C ATOM 425 O GLU A 30 13.912 -2.292 2.430 1.00 0.44 O ATOM 426 CB GLU A 30 16.081 -2.081 0.462 1.00 0.56 C ATOM 427 CG GLU A 30 17.373 -2.296 -0.302 1.00 0.67 C ATOM 428 CD GLU A 30 18.191 -1.033 -0.407 1.00 1.34 C ATOM 429 OE1 GLU A 30 19.004 -0.769 0.499 1.00 1.48 O ATOM 430 OE2 GLU A 30 18.024 -0.293 -1.398 1.00 2.24 O ATOM 0 H GLU A 30 14.770 -3.764 -1.133 1.00 0.52 H new ATOM 0 HA GLU A 30 15.947 -3.908 1.571 1.00 0.51 H new ATOM 0 HB2 GLU A 30 15.416 -1.462 -0.141 1.00 0.56 H new ATOM 0 HB3 GLU A 30 16.300 -1.521 1.371 1.00 0.56 H new ATOM 0 HG2 GLU A 30 17.962 -3.068 0.194 1.00 0.67 H new ATOM 0 HG3 GLU A 30 17.144 -2.663 -1.303 1.00 0.67 H new ATOM 437 N LEU A 31 12.953 -3.486 0.793 1.00 0.39 N ATOM 438 CA LEU A 31 11.622 -3.200 1.258 1.00 0.33 C ATOM 439 C LEU A 31 11.334 -4.057 2.475 1.00 0.34 C ATOM 440 O LEU A 31 10.967 -5.227 2.359 1.00 0.41 O ATOM 441 CB LEU A 31 10.587 -3.472 0.159 1.00 0.36 C ATOM 442 CG LEU A 31 9.588 -2.341 -0.089 1.00 0.51 C ATOM 443 CD1 LEU A 31 8.319 -2.892 -0.709 1.00 1.01 C ATOM 444 CD2 LEU A 31 9.280 -1.591 1.198 1.00 1.10 C ATOM 0 H LEU A 31 13.001 -4.073 -0.040 1.00 0.39 H new ATOM 0 HA LEU A 31 11.554 -2.145 1.524 1.00 0.33 H new ATOM 0 HB2 LEU A 31 11.115 -3.679 -0.772 1.00 0.36 H new ATOM 0 HB3 LEU A 31 10.033 -4.374 0.419 1.00 0.36 H new ATOM 0 HG LEU A 31 10.037 -1.632 -0.785 1.00 0.51 H new ATOM 0 HD11 LEU A 31 7.615 -2.078 -0.881 1.00 1.01 H new ATOM 0 HD12 LEU A 31 8.557 -3.373 -1.658 1.00 1.01 H new ATOM 0 HD13 LEU A 31 7.872 -3.622 -0.034 1.00 1.01 H new ATOM 0 HD21 LEU A 31 8.567 -0.792 0.992 1.00 1.10 H new ATOM 0 HD22 LEU A 31 8.853 -2.280 1.927 1.00 1.10 H new ATOM 0 HD23 LEU A 31 10.199 -1.163 1.598 1.00 1.10 H new ATOM 456 N THR A 32 11.526 -3.472 3.636 1.00 0.34 N ATOM 457 CA THR A 32 11.277 -4.163 4.873 1.00 0.38 C ATOM 458 C THR A 32 9.977 -3.652 5.470 1.00 0.35 C ATOM 459 O THR A 32 9.552 -2.533 5.174 1.00 0.36 O ATOM 460 CB THR A 32 12.448 -3.971 5.866 1.00 0.51 C ATOM 461 OG1 THR A 32 12.575 -2.585 6.211 1.00 0.60 O ATOM 462 CG2 THR A 32 13.773 -4.462 5.273 1.00 0.57 C ATOM 0 H THR A 32 11.856 -2.513 3.745 1.00 0.34 H new ATOM 0 HA THR A 32 11.193 -5.231 4.674 1.00 0.38 H new ATOM 0 HB THR A 32 12.226 -4.560 6.756 1.00 0.51 H new ATOM 0 HG1 THR A 32 13.317 -2.471 6.841 1.00 0.60 H new ATOM 0 HG21 THR A 32 14.574 -4.312 5.997 1.00 0.57 H new ATOM 0 HG22 THR A 32 13.694 -5.523 5.034 1.00 0.57 H new ATOM 0 HG23 THR A 32 13.995 -3.901 4.365 1.00 0.57 H new ATOM 470 N ASP A 33 9.342 -4.456 6.304 1.00 0.41 N ATOM 471 CA ASP A 33 8.051 -4.088 6.870 1.00 0.51 C ATOM 472 C ASP A 33 8.222 -3.018 7.938 1.00 0.51 C ATOM 473 O ASP A 33 7.258 -2.378 8.354 1.00 0.65 O ATOM 474 CB ASP A 33 7.364 -5.315 7.460 1.00 0.68 C ATOM 475 CG ASP A 33 8.053 -5.818 8.708 1.00 1.49 C ATOM 476 OD1 ASP A 33 9.215 -6.266 8.612 1.00 1.90 O ATOM 477 OD2 ASP A 33 7.441 -5.762 9.793 1.00 2.29 O ATOM 0 H ASP A 33 9.695 -5.364 6.605 1.00 0.41 H new ATOM 0 HA ASP A 33 7.427 -3.685 6.072 1.00 0.51 H new ATOM 0 HB2 ASP A 33 6.328 -5.070 7.694 1.00 0.68 H new ATOM 0 HB3 ASP A 33 7.343 -6.110 6.714 1.00 0.68 H new ATOM 482 N ASP A 34 9.466 -2.817 8.348 1.00 0.44 N ATOM 483 CA ASP A 34 9.786 -1.886 9.416 1.00 0.58 C ATOM 484 C ASP A 34 10.032 -0.479 8.879 1.00 0.49 C ATOM 485 O ASP A 34 9.879 0.503 9.607 1.00 0.63 O ATOM 486 CB ASP A 34 11.019 -2.384 10.173 1.00 0.74 C ATOM 487 CG ASP A 34 11.403 -1.486 11.333 1.00 1.52 C ATOM 488 OD1 ASP A 34 10.808 -1.628 12.421 1.00 1.77 O ATOM 489 OD2 ASP A 34 12.288 -0.617 11.152 1.00 2.29 O ATOM 0 H ASP A 34 10.277 -3.292 7.951 1.00 0.44 H new ATOM 0 HA ASP A 34 8.933 -1.835 10.093 1.00 0.58 H new ATOM 0 HB2 ASP A 34 10.828 -3.390 10.547 1.00 0.74 H new ATOM 0 HB3 ASP A 34 11.859 -2.455 9.482 1.00 0.74 H new ATOM 494 N SER A 35 10.389 -0.372 7.599 1.00 0.34 N ATOM 495 CA SER A 35 10.676 0.938 7.013 1.00 0.37 C ATOM 496 C SER A 35 9.406 1.772 6.933 1.00 0.29 C ATOM 497 O SER A 35 8.299 1.246 6.781 1.00 0.32 O ATOM 498 CB SER A 35 11.322 0.799 5.629 1.00 0.46 C ATOM 499 OG SER A 35 12.510 0.039 5.702 1.00 1.06 O ATOM 0 H SER A 35 10.485 -1.160 6.958 1.00 0.34 H new ATOM 0 HA SER A 35 11.388 1.449 7.661 1.00 0.37 H new ATOM 0 HB2 SER A 35 10.622 0.322 4.943 1.00 0.46 H new ATOM 0 HB3 SER A 35 11.542 1.787 5.225 1.00 0.46 H new ATOM 0 HG SER A 35 12.290 -0.892 5.916 1.00 1.06 H new ATOM 505 N ASN A 36 9.574 3.075 7.043 1.00 0.32 N ATOM 506 CA ASN A 36 8.444 3.978 7.165 1.00 0.28 C ATOM 507 C ASN A 36 8.280 4.805 5.897 1.00 0.26 C ATOM 508 O ASN A 36 9.221 5.462 5.457 1.00 0.29 O ATOM 509 CB ASN A 36 8.637 4.902 8.376 1.00 0.31 C ATOM 510 CG ASN A 36 7.465 5.832 8.600 1.00 0.34 C ATOM 511 OD1 ASN A 36 7.632 6.955 9.065 1.00 0.61 O ATOM 512 ND2 ASN A 36 6.272 5.386 8.265 1.00 0.80 N ATOM 0 H ASN A 36 10.485 3.534 7.051 1.00 0.32 H new ATOM 0 HA ASN A 36 7.541 3.385 7.310 1.00 0.28 H new ATOM 0 HB2 ASN A 36 8.789 4.295 9.269 1.00 0.31 H new ATOM 0 HB3 ASN A 36 9.542 5.493 8.235 1.00 0.31 H new ATOM 0 HD21 ASN A 36 5.452 5.980 8.390 1.00 0.80 H new ATOM 0 HD22 ASN A 36 6.168 4.447 7.881 1.00 0.80 H new ATOM 519 N PHE A 37 7.086 4.760 5.310 1.00 0.24 N ATOM 520 CA PHE A 37 6.782 5.554 4.123 1.00 0.24 C ATOM 521 C PHE A 37 7.059 7.036 4.373 1.00 0.26 C ATOM 522 O PHE A 37 7.770 7.687 3.604 1.00 0.29 O ATOM 523 CB PHE A 37 5.319 5.360 3.714 1.00 0.24 C ATOM 524 CG PHE A 37 5.077 4.079 2.969 1.00 0.27 C ATOM 525 CD1 PHE A 37 5.699 3.821 1.757 1.00 0.41 C ATOM 526 CD2 PHE A 37 4.214 3.136 3.490 1.00 0.35 C ATOM 527 CE1 PHE A 37 5.460 2.635 1.082 1.00 0.47 C ATOM 528 CE2 PHE A 37 3.970 1.957 2.828 1.00 0.40 C ATOM 529 CZ PHE A 37 4.667 1.719 1.567 1.00 0.40 C ATOM 0 H PHE A 37 6.313 4.181 5.638 1.00 0.24 H new ATOM 0 HA PHE A 37 7.427 5.213 3.314 1.00 0.24 H new ATOM 0 HB2 PHE A 37 4.694 5.377 4.607 1.00 0.24 H new ATOM 0 HB3 PHE A 37 5.008 6.199 3.091 1.00 0.24 H new ATOM 0 HD1 PHE A 37 6.375 4.550 1.336 1.00 0.41 H new ATOM 0 HD2 PHE A 37 3.723 3.328 4.433 1.00 0.35 H new ATOM 0 HE1 PHE A 37 5.942 2.464 0.131 1.00 0.47 H new ATOM 0 HE2 PHE A 37 3.282 1.227 3.229 1.00 0.40 H new ATOM 0 HZ PHE A 37 4.527 0.788 1.038 1.00 0.40 H new ATOM 539 N ALA A 38 6.519 7.551 5.469 1.00 0.31 N ATOM 540 CA ALA A 38 6.665 8.960 5.811 1.00 0.36 C ATOM 541 C ALA A 38 8.120 9.318 6.111 1.00 0.39 C ATOM 542 O ALA A 38 8.564 10.426 5.816 1.00 0.42 O ATOM 543 CB ALA A 38 5.779 9.295 6.994 1.00 0.46 C ATOM 0 H ALA A 38 5.973 7.011 6.140 1.00 0.31 H new ATOM 0 HA ALA A 38 6.355 9.553 4.951 1.00 0.36 H new ATOM 0 HB1 ALA A 38 5.892 10.349 7.246 1.00 0.46 H new ATOM 0 HB2 ALA A 38 4.739 9.092 6.739 1.00 0.46 H new ATOM 0 HB3 ALA A 38 6.068 8.685 7.850 1.00 0.46 H new ATOM 549 N ASP A 39 8.864 8.362 6.664 1.00 0.41 N ATOM 550 CA ASP A 39 10.270 8.581 7.009 1.00 0.48 C ATOM 551 C ASP A 39 11.099 8.661 5.743 1.00 0.48 C ATOM 552 O ASP A 39 12.036 9.450 5.636 1.00 0.56 O ATOM 553 CB ASP A 39 10.790 7.445 7.904 1.00 0.54 C ATOM 554 CG ASP A 39 12.172 7.717 8.467 1.00 0.67 C ATOM 555 OD1 ASP A 39 13.168 7.396 7.783 1.00 0.73 O ATOM 556 OD2 ASP A 39 12.267 8.277 9.575 1.00 0.83 O ATOM 0 H ASP A 39 8.518 7.428 6.883 1.00 0.41 H new ATOM 0 HA ASP A 39 10.354 9.519 7.557 1.00 0.48 H new ATOM 0 HB2 ASP A 39 10.093 7.291 8.727 1.00 0.54 H new ATOM 0 HB3 ASP A 39 10.814 6.519 7.329 1.00 0.54 H new ATOM 561 N MET A 40 10.700 7.865 4.765 1.00 0.42 N ATOM 562 CA MET A 40 11.417 7.767 3.510 1.00 0.46 C ATOM 563 C MET A 40 11.141 8.982 2.631 1.00 0.46 C ATOM 564 O MET A 40 11.914 9.294 1.727 1.00 0.58 O ATOM 565 CB MET A 40 11.015 6.492 2.794 1.00 0.47 C ATOM 566 CG MET A 40 11.963 6.143 1.684 1.00 0.90 C ATOM 567 SD MET A 40 13.583 5.611 2.276 1.00 1.73 S ATOM 568 CE MET A 40 13.144 4.243 3.348 1.00 2.48 C ATOM 0 H MET A 40 9.872 7.271 4.821 1.00 0.42 H new ATOM 0 HA MET A 40 12.487 7.740 3.717 1.00 0.46 H new ATOM 0 HB2 MET A 40 10.979 5.671 3.510 1.00 0.47 H new ATOM 0 HB3 MET A 40 10.010 6.606 2.389 1.00 0.47 H new ATOM 0 HG2 MET A 40 11.526 5.350 1.077 1.00 0.90 H new ATOM 0 HG3 MET A 40 12.087 7.009 1.034 1.00 0.90 H new ATOM 0 HE1 MET A 40 13.237 4.552 4.389 1.00 2.48 H new ATOM 0 HE2 MET A 40 12.116 3.941 3.150 1.00 2.48 H new ATOM 0 HE3 MET A 40 13.812 3.403 3.158 1.00 2.48 H new ATOM 578 N GLY A 41 10.045 9.667 2.914 1.00 0.40 N ATOM 579 CA GLY A 41 9.713 10.866 2.164 1.00 0.44 C ATOM 580 C GLY A 41 8.570 10.648 1.195 1.00 0.36 C ATOM 581 O GLY A 41 8.468 11.339 0.183 1.00 0.40 O ATOM 0 H GLY A 41 9.380 9.418 3.646 1.00 0.40 H new ATOM 0 HA2 GLY A 41 9.449 11.663 2.859 1.00 0.44 H new ATOM 0 HA3 GLY A 41 10.592 11.201 1.614 1.00 0.44 H new ATOM 585 N ILE A 42 7.720 9.672 1.489 1.00 0.31 N ATOM 586 CA ILE A 42 6.536 9.430 0.672 1.00 0.27 C ATOM 587 C ILE A 42 5.553 10.586 0.807 1.00 0.27 C ATOM 588 O ILE A 42 4.917 10.767 1.843 1.00 0.28 O ATOM 589 CB ILE A 42 5.854 8.094 1.052 1.00 0.26 C ATOM 590 CG1 ILE A 42 6.769 6.930 0.665 1.00 0.35 C ATOM 591 CG2 ILE A 42 4.493 7.956 0.383 1.00 0.28 C ATOM 592 CD1 ILE A 42 6.932 6.757 -0.829 1.00 0.52 C ATOM 0 H ILE A 42 7.826 9.039 2.281 1.00 0.31 H new ATOM 0 HA ILE A 42 6.855 9.359 -0.368 1.00 0.27 H new ATOM 0 HB ILE A 42 5.688 8.080 2.129 1.00 0.26 H new ATOM 0 HG12 ILE A 42 7.750 7.086 1.113 1.00 0.35 H new ATOM 0 HG13 ILE A 42 6.369 6.008 1.087 1.00 0.35 H new ATOM 0 HG21 ILE A 42 4.041 7.007 0.671 1.00 0.28 H new ATOM 0 HG22 ILE A 42 3.848 8.776 0.699 1.00 0.28 H new ATOM 0 HG23 ILE A 42 4.615 7.986 -0.700 1.00 0.28 H new ATOM 0 HD11 ILE A 42 7.593 5.914 -1.028 1.00 0.52 H new ATOM 0 HD12 ILE A 42 5.958 6.569 -1.282 1.00 0.52 H new ATOM 0 HD13 ILE A 42 7.362 7.663 -1.255 1.00 0.52 H new ATOM 604 N ASP A 43 5.458 11.376 -0.249 1.00 0.33 N ATOM 605 CA ASP A 43 4.593 12.547 -0.264 1.00 0.40 C ATOM 606 C ASP A 43 3.154 12.146 -0.591 1.00 0.35 C ATOM 607 O ASP A 43 2.891 10.996 -0.962 1.00 0.33 O ATOM 608 CB ASP A 43 5.125 13.552 -1.292 1.00 0.56 C ATOM 609 CG ASP A 43 4.322 14.835 -1.360 1.00 1.09 C ATOM 610 OD1 ASP A 43 4.342 15.604 -0.374 1.00 1.40 O ATOM 611 OD2 ASP A 43 3.664 15.077 -2.391 1.00 1.94 O ATOM 0 H ASP A 43 5.974 11.227 -1.116 1.00 0.33 H new ATOM 0 HA ASP A 43 4.593 13.011 0.722 1.00 0.40 H new ATOM 0 HB2 ASP A 43 6.160 13.794 -1.049 1.00 0.56 H new ATOM 0 HB3 ASP A 43 5.130 13.084 -2.276 1.00 0.56 H new ATOM 616 N SER A 44 2.231 13.092 -0.447 1.00 0.39 N ATOM 617 CA SER A 44 0.835 12.879 -0.803 1.00 0.43 C ATOM 618 C SER A 44 0.723 12.458 -2.266 1.00 0.40 C ATOM 619 O SER A 44 -0.037 11.550 -2.602 1.00 0.42 O ATOM 620 CB SER A 44 0.043 14.163 -0.544 1.00 0.57 C ATOM 621 OG SER A 44 0.766 15.300 -1.102 1.00 1.03 O ATOM 0 H SER A 44 2.430 14.023 -0.082 1.00 0.39 H new ATOM 0 HA SER A 44 0.420 12.079 -0.189 1.00 0.43 H new ATOM 0 HB2 SER A 44 -0.946 14.090 -0.996 1.00 0.57 H new ATOM 0 HB3 SER A 44 -0.105 14.302 0.527 1.00 0.57 H new ATOM 626 N LEU A 45 1.522 13.097 -3.119 1.00 0.39 N ATOM 627 CA LEU A 45 1.547 12.780 -4.543 1.00 0.39 C ATOM 628 C LEU A 45 1.881 11.301 -4.739 1.00 0.32 C ATOM 629 O LEU A 45 1.137 10.569 -5.396 1.00 0.32 O ATOM 630 CB LEU A 45 2.580 13.679 -5.255 1.00 0.47 C ATOM 631 CG LEU A 45 2.540 13.704 -6.791 1.00 0.54 C ATOM 632 CD1 LEU A 45 3.166 12.450 -7.388 1.00 0.52 C ATOM 633 CD2 LEU A 45 1.112 13.874 -7.288 1.00 0.59 C ATOM 0 H LEU A 45 2.163 13.841 -2.845 1.00 0.39 H new ATOM 0 HA LEU A 45 0.566 12.969 -4.979 1.00 0.39 H new ATOM 0 HB2 LEU A 45 2.446 14.699 -4.896 1.00 0.47 H new ATOM 0 HB3 LEU A 45 3.576 13.361 -4.947 1.00 0.47 H new ATOM 0 HG LEU A 45 3.130 14.559 -7.121 1.00 0.54 H new ATOM 0 HD11 LEU A 45 3.120 12.503 -8.476 1.00 0.52 H new ATOM 0 HD12 LEU A 45 4.207 12.377 -7.072 1.00 0.52 H new ATOM 0 HD13 LEU A 45 2.620 11.572 -7.044 1.00 0.52 H new ATOM 0 HD21 LEU A 45 1.105 13.889 -8.378 1.00 0.59 H new ATOM 0 HD22 LEU A 45 0.502 13.043 -6.933 1.00 0.59 H new ATOM 0 HD23 LEU A 45 0.704 14.811 -6.910 1.00 0.59 H new ATOM 645 N SER A 46 2.984 10.857 -4.141 1.00 0.30 N ATOM 646 CA SER A 46 3.421 9.472 -4.269 1.00 0.28 C ATOM 647 C SER A 46 2.388 8.520 -3.676 1.00 0.25 C ATOM 648 O SER A 46 2.066 7.494 -4.273 1.00 0.25 O ATOM 649 CB SER A 46 4.777 9.286 -3.585 1.00 0.35 C ATOM 650 OG SER A 46 5.722 10.212 -4.090 1.00 1.22 O ATOM 0 H SER A 46 3.591 11.438 -3.563 1.00 0.30 H new ATOM 0 HA SER A 46 3.525 9.238 -5.328 1.00 0.28 H new ATOM 0 HB2 SER A 46 4.669 9.419 -2.509 1.00 0.35 H new ATOM 0 HB3 SER A 46 5.135 8.269 -3.746 1.00 0.35 H new ATOM 0 HG SER A 46 6.582 10.080 -3.640 1.00 1.22 H new ATOM 656 N SER A 47 1.846 8.890 -2.520 1.00 0.27 N ATOM 657 CA SER A 47 0.838 8.079 -1.847 1.00 0.33 C ATOM 658 C SER A 47 -0.393 7.896 -2.728 1.00 0.32 C ATOM 659 O SER A 47 -0.983 6.815 -2.771 1.00 0.36 O ATOM 660 CB SER A 47 0.429 8.734 -0.532 1.00 0.44 C ATOM 661 OG SER A 47 1.539 8.886 0.327 1.00 0.81 O ATOM 0 H SER A 47 2.089 9.750 -2.028 1.00 0.27 H new ATOM 0 HA SER A 47 1.273 7.100 -1.647 1.00 0.33 H new ATOM 0 HB2 SER A 47 -0.017 9.709 -0.731 1.00 0.44 H new ATOM 0 HB3 SER A 47 -0.334 8.128 -0.042 1.00 0.44 H new ATOM 0 HG SER A 47 2.073 9.656 0.039 1.00 0.81 H new ATOM 667 N MET A 48 -0.766 8.957 -3.432 1.00 0.32 N ATOM 668 CA MET A 48 -1.919 8.916 -4.319 1.00 0.35 C ATOM 669 C MET A 48 -1.620 7.996 -5.482 1.00 0.31 C ATOM 670 O MET A 48 -2.429 7.147 -5.856 1.00 0.37 O ATOM 671 CB MET A 48 -2.233 10.312 -4.866 1.00 0.41 C ATOM 672 CG MET A 48 -3.405 10.350 -5.839 1.00 0.52 C ATOM 673 SD MET A 48 -3.332 11.757 -6.963 1.00 1.75 S ATOM 674 CE MET A 48 -1.831 11.390 -7.866 1.00 2.25 C ATOM 0 H MET A 48 -0.286 9.857 -3.405 1.00 0.32 H new ATOM 0 HA MET A 48 -2.778 8.554 -3.754 1.00 0.35 H new ATOM 0 HB2 MET A 48 -2.447 10.978 -4.030 1.00 0.41 H new ATOM 0 HB3 MET A 48 -1.347 10.702 -5.366 1.00 0.41 H new ATOM 0 HG2 MET A 48 -3.420 9.427 -6.419 1.00 0.52 H new ATOM 0 HG3 MET A 48 -4.338 10.388 -5.276 1.00 0.52 H new ATOM 0 HE1 MET A 48 -1.760 12.045 -8.735 1.00 2.25 H new ATOM 0 HE2 MET A 48 -0.969 11.551 -7.219 1.00 2.25 H new ATOM 0 HE3 MET A 48 -1.849 10.351 -8.195 1.00 2.25 H new ATOM 684 N VAL A 49 -0.434 8.183 -6.036 1.00 0.27 N ATOM 685 CA VAL A 49 0.015 7.409 -7.177 1.00 0.25 C ATOM 686 C VAL A 49 0.003 5.913 -6.852 1.00 0.20 C ATOM 687 O VAL A 49 -0.623 5.134 -7.562 1.00 0.22 O ATOM 688 CB VAL A 49 1.433 7.851 -7.625 1.00 0.28 C ATOM 689 CG1 VAL A 49 2.032 6.831 -8.575 1.00 0.34 C ATOM 690 CG2 VAL A 49 1.412 9.229 -8.288 1.00 0.36 C ATOM 0 H VAL A 49 0.241 8.873 -5.708 1.00 0.27 H new ATOM 0 HA VAL A 49 -0.676 7.593 -8.000 1.00 0.25 H new ATOM 0 HB VAL A 49 2.052 7.916 -6.730 1.00 0.28 H new ATOM 0 HG11 VAL A 49 3.027 7.157 -8.879 1.00 0.34 H new ATOM 0 HG12 VAL A 49 2.104 5.866 -8.074 1.00 0.34 H new ATOM 0 HG13 VAL A 49 1.396 6.736 -9.455 1.00 0.34 H new ATOM 0 HG21 VAL A 49 2.423 9.504 -8.588 1.00 0.36 H new ATOM 0 HG22 VAL A 49 0.768 9.200 -9.167 1.00 0.36 H new ATOM 0 HG23 VAL A 49 1.030 9.967 -7.582 1.00 0.36 H new ATOM 700 N ILE A 50 0.693 5.521 -5.779 1.00 0.18 N ATOM 701 CA ILE A 50 0.729 4.127 -5.342 1.00 0.18 C ATOM 702 C ILE A 50 -0.679 3.547 -5.225 1.00 0.20 C ATOM 703 O ILE A 50 -0.979 2.505 -5.810 1.00 0.20 O ATOM 704 CB ILE A 50 1.456 3.994 -3.984 1.00 0.20 C ATOM 705 CG1 ILE A 50 2.874 4.558 -4.090 1.00 0.21 C ATOM 706 CG2 ILE A 50 1.499 2.544 -3.537 1.00 0.26 C ATOM 707 CD1 ILE A 50 3.657 4.505 -2.796 1.00 0.22 C ATOM 0 H ILE A 50 1.237 6.155 -5.194 1.00 0.18 H new ATOM 0 HA ILE A 50 1.278 3.565 -6.098 1.00 0.18 H new ATOM 0 HB ILE A 50 0.902 4.565 -3.239 1.00 0.20 H new ATOM 0 HG12 ILE A 50 3.418 4.004 -4.855 1.00 0.21 H new ATOM 0 HG13 ILE A 50 2.818 5.593 -4.426 1.00 0.21 H new ATOM 0 HG21 ILE A 50 2.015 2.474 -2.579 1.00 0.26 H new ATOM 0 HG22 ILE A 50 0.482 2.166 -3.430 1.00 0.26 H new ATOM 0 HG23 ILE A 50 2.031 1.950 -4.280 1.00 0.26 H new ATOM 0 HD11 ILE A 50 4.651 4.923 -2.955 1.00 0.22 H new ATOM 0 HD12 ILE A 50 3.138 5.084 -2.032 1.00 0.22 H new ATOM 0 HD13 ILE A 50 3.747 3.470 -2.467 1.00 0.22 H new ATOM 719 N GLY A 51 -1.536 4.241 -4.484 1.00 0.24 N ATOM 720 CA GLY A 51 -2.911 3.799 -4.320 1.00 0.29 C ATOM 721 C GLY A 51 -3.636 3.686 -5.647 1.00 0.25 C ATOM 722 O GLY A 51 -4.436 2.775 -5.852 1.00 0.25 O ATOM 0 H GLY A 51 -1.303 5.104 -3.992 1.00 0.24 H new ATOM 0 HA2 GLY A 51 -2.923 2.832 -3.817 1.00 0.29 H new ATOM 0 HA3 GLY A 51 -3.442 4.500 -3.676 1.00 0.29 H new ATOM 726 N SER A 52 -3.345 4.608 -6.553 1.00 0.26 N ATOM 727 CA SER A 52 -3.935 4.581 -7.893 1.00 0.26 C ATOM 728 C SER A 52 -3.430 3.374 -8.682 1.00 0.22 C ATOM 729 O SER A 52 -4.213 2.670 -9.319 1.00 0.23 O ATOM 730 CB SER A 52 -3.627 5.873 -8.666 1.00 0.35 C ATOM 731 OG SER A 52 -4.695 6.214 -9.538 1.00 0.92 O ATOM 0 H SER A 52 -2.705 5.385 -6.390 1.00 0.26 H new ATOM 0 HA SER A 52 -5.015 4.501 -7.772 1.00 0.26 H new ATOM 0 HB2 SER A 52 -3.453 6.688 -7.963 1.00 0.35 H new ATOM 0 HB3 SER A 52 -2.710 5.746 -9.241 1.00 0.35 H new ATOM 0 HG SER A 52 -4.475 7.040 -10.017 1.00 0.92 H new ATOM 737 N ARG A 53 -2.126 3.113 -8.620 1.00 0.21 N ATOM 738 CA ARG A 53 -1.544 2.010 -9.375 1.00 0.21 C ATOM 739 C ARG A 53 -2.028 0.675 -8.820 1.00 0.21 C ATOM 740 O ARG A 53 -2.012 -0.338 -9.519 1.00 0.28 O ATOM 741 CB ARG A 53 -0.006 2.062 -9.383 1.00 0.26 C ATOM 742 CG ARG A 53 0.574 3.432 -9.733 1.00 0.37 C ATOM 743 CD ARG A 53 1.948 3.332 -10.397 1.00 0.45 C ATOM 744 NE ARG A 53 1.874 3.684 -11.821 1.00 0.67 N ATOM 745 CZ ARG A 53 2.867 4.234 -12.523 1.00 0.95 C ATOM 746 NH1 ARG A 53 4.033 4.493 -11.951 1.00 1.13 N ATOM 747 NH2 ARG A 53 2.683 4.525 -13.807 1.00 1.23 N ATOM 0 H ARG A 53 -1.460 3.645 -8.060 1.00 0.21 H new ATOM 0 HA ARG A 53 -1.877 2.110 -10.408 1.00 0.21 H new ATOM 0 HB2 ARG A 53 0.361 1.765 -8.401 1.00 0.26 H new ATOM 0 HB3 ARG A 53 0.367 1.329 -10.098 1.00 0.26 H new ATOM 0 HG2 ARG A 53 -0.112 3.954 -10.400 1.00 0.37 H new ATOM 0 HG3 ARG A 53 0.655 4.032 -8.826 1.00 0.37 H new ATOM 0 HD2 ARG A 53 2.649 3.996 -9.891 1.00 0.45 H new ATOM 0 HD3 ARG A 53 2.334 2.319 -10.289 1.00 0.45 H new ATOM 0 HE ARG A 53 0.999 3.494 -12.310 1.00 0.67 H new ATOM 0 HH11 ARG A 53 4.178 4.272 -10.966 1.00 1.13 H new ATOM 0 HH12 ARG A 53 4.786 4.913 -12.496 1.00 1.13 H new ATOM 0 HH21 ARG A 53 1.786 4.328 -14.251 1.00 1.23 H new ATOM 0 HH22 ARG A 53 3.439 4.945 -14.348 1.00 1.23 H new ATOM 761 N PHE A 54 -2.471 0.687 -7.565 1.00 0.17 N ATOM 762 CA PHE A 54 -3.143 -0.471 -6.983 1.00 0.20 C ATOM 763 C PHE A 54 -4.371 -0.805 -7.802 1.00 0.23 C ATOM 764 O PHE A 54 -4.647 -1.963 -8.091 1.00 0.28 O ATOM 765 CB PHE A 54 -3.587 -0.189 -5.548 1.00 0.22 C ATOM 766 CG PHE A 54 -2.492 -0.235 -4.533 1.00 0.20 C ATOM 767 CD1 PHE A 54 -1.219 -0.592 -4.919 1.00 0.17 C ATOM 768 CD2 PHE A 54 -2.730 0.087 -3.213 1.00 0.26 C ATOM 769 CE1 PHE A 54 -0.188 -0.630 -4.003 1.00 0.18 C ATOM 770 CE2 PHE A 54 -1.711 0.046 -2.283 1.00 0.26 C ATOM 771 CZ PHE A 54 -0.487 -0.327 -2.624 1.00 0.19 C ATOM 0 H PHE A 54 -2.377 1.483 -6.934 1.00 0.17 H new ATOM 0 HA PHE A 54 -2.438 -1.303 -6.982 1.00 0.20 H new ATOM 0 HB2 PHE A 54 -4.054 0.795 -5.514 1.00 0.22 H new ATOM 0 HB3 PHE A 54 -4.352 -0.914 -5.270 1.00 0.22 H new ATOM 0 HD1 PHE A 54 -1.026 -0.845 -5.951 1.00 0.17 H new ATOM 0 HD2 PHE A 54 -3.724 0.374 -2.904 1.00 0.26 H new ATOM 0 HE1 PHE A 54 0.817 -0.880 -4.310 1.00 0.18 H new ATOM 0 HE2 PHE A 54 -1.915 0.323 -1.259 1.00 0.26 H new ATOM 0 HZ PHE A 54 0.285 -0.404 -1.873 1.00 0.19 H new ATOM 781 N ARG A 55 -5.106 0.228 -8.170 1.00 0.23 N ATOM 782 CA ARG A 55 -6.320 0.064 -8.940 1.00 0.31 C ATOM 783 C ARG A 55 -5.980 -0.198 -10.405 1.00 0.36 C ATOM 784 O ARG A 55 -6.728 -0.865 -11.115 1.00 0.43 O ATOM 785 CB ARG A 55 -7.199 1.312 -8.819 1.00 0.35 C ATOM 786 CG ARG A 55 -7.110 2.009 -7.472 1.00 0.39 C ATOM 787 CD ARG A 55 -8.244 3.005 -7.300 1.00 0.63 C ATOM 788 NE ARG A 55 -8.440 3.815 -8.505 1.00 1.45 N ATOM 789 CZ ARG A 55 -9.413 4.713 -8.658 1.00 1.87 C ATOM 790 NH1 ARG A 55 -10.243 4.984 -7.656 1.00 1.82 N ATOM 791 NH2 ARG A 55 -9.543 5.346 -9.816 1.00 2.81 N ATOM 0 H ARG A 55 -4.879 1.196 -7.945 1.00 0.23 H new ATOM 0 HA ARG A 55 -6.871 -0.790 -8.547 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -6.917 2.018 -9.600 1.00 0.35 H new ATOM 0 HB3 ARG A 55 -8.236 1.031 -9.002 1.00 0.35 H new ATOM 0 HG2 ARG A 55 -7.146 1.269 -6.672 1.00 0.39 H new ATOM 0 HG3 ARG A 55 -6.153 2.524 -7.387 1.00 0.39 H new ATOM 0 HD2 ARG A 55 -9.165 2.471 -7.066 1.00 0.63 H new ATOM 0 HD3 ARG A 55 -8.030 3.658 -6.453 1.00 0.63 H new ATOM 0 HE ARG A 55 -7.788 3.683 -9.278 1.00 1.45 H new ATOM 0 HH11 ARG A 55 -10.138 4.504 -6.762 1.00 1.82 H new ATOM 0 HH12 ARG A 55 -10.985 5.672 -7.781 1.00 1.82 H new ATOM 0 HH21 ARG A 55 -8.901 5.144 -10.582 1.00 2.81 H new ATOM 0 HH22 ARG A 55 -10.285 6.034 -9.940 1.00 2.81 H new ATOM 805 N GLU A 56 -4.835 0.324 -10.844 1.00 0.39 N ATOM 806 CA GLU A 56 -4.383 0.157 -12.224 1.00 0.52 C ATOM 807 C GLU A 56 -3.933 -1.273 -12.492 1.00 0.47 C ATOM 808 O GLU A 56 -4.533 -1.992 -13.293 1.00 0.49 O ATOM 809 CB GLU A 56 -3.210 1.096 -12.534 1.00 0.73 C ATOM 810 CG GLU A 56 -3.568 2.573 -12.580 1.00 1.04 C ATOM 811 CD GLU A 56 -2.353 3.440 -12.870 1.00 1.54 C ATOM 812 OE1 GLU A 56 -1.651 3.177 -13.872 1.00 1.80 O ATOM 813 OE2 GLU A 56 -2.096 4.392 -12.105 1.00 2.26 O ATOM 0 H GLU A 56 -4.201 0.869 -10.260 1.00 0.39 H new ATOM 0 HA GLU A 56 -5.232 0.397 -12.864 1.00 0.52 H new ATOM 0 HB2 GLU A 56 -2.436 0.948 -11.781 1.00 0.73 H new ATOM 0 HB3 GLU A 56 -2.779 0.811 -13.494 1.00 0.73 H new ATOM 0 HG2 GLU A 56 -4.325 2.740 -13.347 1.00 1.04 H new ATOM 0 HG3 GLU A 56 -4.008 2.870 -11.628 1.00 1.04 H new ATOM 820 N ASP A 57 -2.880 -1.678 -11.800 1.00 0.51 N ATOM 821 CA ASP A 57 -2.188 -2.928 -12.102 1.00 0.58 C ATOM 822 C ASP A 57 -2.804 -4.113 -11.364 1.00 0.55 C ATOM 823 O ASP A 57 -2.878 -5.215 -11.898 1.00 0.67 O ATOM 824 CB ASP A 57 -0.705 -2.792 -11.732 1.00 0.67 C ATOM 825 CG ASP A 57 0.121 -4.010 -12.107 1.00 1.64 C ATOM 826 OD1 ASP A 57 0.574 -4.087 -13.267 1.00 1.62 O ATOM 827 OD2 ASP A 57 0.346 -4.878 -11.239 1.00 2.62 O ATOM 0 H ASP A 57 -2.481 -1.157 -11.019 1.00 0.51 H new ATOM 0 HA ASP A 57 -2.290 -3.121 -13.170 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -0.292 -1.914 -12.230 1.00 0.67 H new ATOM 0 HB3 ASP A 57 -0.620 -2.620 -10.659 1.00 0.67 H new ATOM 832 N LEU A 58 -3.263 -3.877 -10.142 1.00 0.44 N ATOM 833 CA LEU A 58 -3.739 -4.964 -9.288 1.00 0.45 C ATOM 834 C LEU A 58 -5.261 -5.070 -9.330 1.00 0.45 C ATOM 835 O LEU A 58 -5.816 -6.168 -9.351 1.00 0.67 O ATOM 836 CB LEU A 58 -3.259 -4.775 -7.840 1.00 0.41 C ATOM 837 CG LEU A 58 -1.775 -5.071 -7.596 1.00 0.34 C ATOM 838 CD1 LEU A 58 -0.893 -4.173 -8.447 1.00 0.34 C ATOM 839 CD2 LEU A 58 -1.433 -4.909 -6.126 1.00 0.32 C ATOM 0 H LEU A 58 -3.317 -2.950 -9.719 1.00 0.44 H new ATOM 0 HA LEU A 58 -3.320 -5.894 -9.673 1.00 0.45 H new ATOM 0 HB2 LEU A 58 -3.461 -3.747 -7.539 1.00 0.41 H new ATOM 0 HB3 LEU A 58 -3.852 -5.420 -7.191 1.00 0.41 H new ATOM 0 HG LEU A 58 -1.587 -6.105 -7.885 1.00 0.34 H new ATOM 0 HD11 LEU A 58 0.155 -4.404 -8.254 1.00 0.34 H new ATOM 0 HD12 LEU A 58 -1.113 -4.340 -9.501 1.00 0.34 H new ATOM 0 HD13 LEU A 58 -1.087 -3.130 -8.197 1.00 0.34 H new ATOM 0 HD21 LEU A 58 -0.375 -5.123 -5.973 1.00 0.32 H new ATOM 0 HD22 LEU A 58 -1.645 -3.886 -5.814 1.00 0.32 H new ATOM 0 HD23 LEU A 58 -2.033 -5.601 -5.535 1.00 0.32 H new ATOM 851 N GLY A 59 -5.927 -3.927 -9.336 1.00 0.33 N ATOM 852 CA GLY A 59 -7.376 -3.911 -9.368 1.00 0.36 C ATOM 853 C GLY A 59 -7.985 -3.789 -7.981 1.00 0.37 C ATOM 854 O GLY A 59 -9.068 -4.314 -7.722 1.00 0.45 O ATOM 0 H GLY A 59 -5.489 -3.006 -9.319 1.00 0.33 H new ATOM 0 HA2 GLY A 59 -7.714 -3.078 -9.985 1.00 0.36 H new ATOM 0 HA3 GLY A 59 -7.736 -4.825 -9.841 1.00 0.36 H new ATOM 858 N LEU A 60 -7.287 -3.104 -7.083 1.00 0.33 N ATOM 859 CA LEU A 60 -7.791 -2.883 -5.730 1.00 0.36 C ATOM 860 C LEU A 60 -8.768 -1.712 -5.708 1.00 0.46 C ATOM 861 O LEU A 60 -8.359 -0.550 -5.731 1.00 0.63 O ATOM 862 CB LEU A 60 -6.646 -2.605 -4.758 1.00 0.35 C ATOM 863 CG LEU A 60 -5.719 -3.788 -4.478 1.00 0.40 C ATOM 864 CD1 LEU A 60 -4.523 -3.339 -3.654 1.00 0.41 C ATOM 865 CD2 LEU A 60 -6.478 -4.889 -3.750 1.00 0.58 C ATOM 0 H LEU A 60 -6.372 -2.692 -7.265 1.00 0.33 H new ATOM 0 HA LEU A 60 -8.307 -3.791 -5.417 1.00 0.36 H new ATOM 0 HB2 LEU A 60 -6.049 -1.783 -5.153 1.00 0.35 H new ATOM 0 HB3 LEU A 60 -7.069 -2.266 -3.813 1.00 0.35 H new ATOM 0 HG LEU A 60 -5.358 -4.181 -5.428 1.00 0.40 H new ATOM 0 HD11 LEU A 60 -3.872 -4.192 -3.463 1.00 0.41 H new ATOM 0 HD12 LEU A 60 -3.970 -2.576 -4.202 1.00 0.41 H new ATOM 0 HD13 LEU A 60 -4.868 -2.926 -2.706 1.00 0.41 H new ATOM 0 HD21 LEU A 60 -5.807 -5.726 -3.556 1.00 0.58 H new ATOM 0 HD22 LEU A 60 -6.860 -4.504 -2.805 1.00 0.58 H new ATOM 0 HD23 LEU A 60 -7.311 -5.226 -4.367 1.00 0.58 H new ATOM 877 N ASP A 61 -10.055 -2.016 -5.662 1.00 0.59 N ATOM 878 CA ASP A 61 -11.079 -0.976 -5.650 1.00 0.76 C ATOM 879 C ASP A 61 -11.448 -0.594 -4.227 1.00 0.66 C ATOM 880 O ASP A 61 -12.538 -0.908 -3.747 1.00 0.89 O ATOM 881 CB ASP A 61 -12.339 -1.403 -6.412 1.00 1.10 C ATOM 882 CG ASP A 61 -12.140 -1.420 -7.909 1.00 1.56 C ATOM 883 OD1 ASP A 61 -11.717 -0.388 -8.466 1.00 2.27 O ATOM 884 OD2 ASP A 61 -12.396 -2.467 -8.535 1.00 2.04 O ATOM 0 H ASP A 61 -10.417 -2.969 -5.632 1.00 0.59 H new ATOM 0 HA ASP A 61 -10.653 -0.109 -6.156 1.00 0.76 H new ATOM 0 HB2 ASP A 61 -12.640 -2.396 -6.079 1.00 1.10 H new ATOM 0 HB3 ASP A 61 -13.155 -0.723 -6.166 1.00 1.10 H new ATOM 889 N LEU A 62 -10.524 0.063 -3.545 1.00 0.57 N ATOM 890 CA LEU A 62 -10.779 0.552 -2.196 1.00 0.66 C ATOM 891 C LEU A 62 -11.394 1.943 -2.240 1.00 0.72 C ATOM 892 O LEU A 62 -11.812 2.486 -1.220 1.00 1.01 O ATOM 893 CB LEU A 62 -9.480 0.575 -1.396 1.00 0.80 C ATOM 894 CG LEU A 62 -8.845 -0.794 -1.160 1.00 1.00 C ATOM 895 CD1 LEU A 62 -7.445 -0.633 -0.602 1.00 1.64 C ATOM 896 CD2 LEU A 62 -9.704 -1.625 -0.214 1.00 1.28 C ATOM 0 H LEU A 62 -9.591 0.271 -3.901 1.00 0.57 H new ATOM 0 HA LEU A 62 -11.484 -0.121 -1.708 1.00 0.66 H new ATOM 0 HB2 LEU A 62 -8.761 1.208 -1.916 1.00 0.80 H new ATOM 0 HB3 LEU A 62 -9.674 1.041 -0.430 1.00 0.80 H new ATOM 0 HG LEU A 62 -8.781 -1.317 -2.114 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -7.003 -1.616 -0.438 1.00 1.64 H new ATOM 0 HD12 LEU A 62 -6.833 -0.074 -1.310 1.00 1.64 H new ATOM 0 HD13 LEU A 62 -7.490 -0.093 0.344 1.00 1.64 H new ATOM 0 HD21 LEU A 62 -9.237 -2.597 -0.057 1.00 1.28 H new ATOM 0 HD22 LEU A 62 -9.797 -1.109 0.741 1.00 1.28 H new ATOM 0 HD23 LEU A 62 -10.694 -1.764 -0.649 1.00 1.28 H new ATOM 908 N GLY A 63 -11.446 2.508 -3.433 1.00 0.68 N ATOM 909 CA GLY A 63 -12.016 3.831 -3.598 1.00 0.75 C ATOM 910 C GLY A 63 -10.960 4.868 -3.910 1.00 0.71 C ATOM 911 O GLY A 63 -9.769 4.561 -3.910 1.00 0.75 O ATOM 0 H GLY A 63 -11.105 2.077 -4.292 1.00 0.68 H new ATOM 0 HA2 GLY A 63 -12.753 3.811 -4.401 1.00 0.75 H new ATOM 0 HA3 GLY A 63 -12.544 4.114 -2.688 1.00 0.75 H new ATOM 915 N PRO A 64 -11.371 6.102 -4.205 1.00 0.78 N ATOM 916 CA PRO A 64 -10.448 7.207 -4.471 1.00 0.88 C ATOM 917 C PRO A 64 -10.032 7.938 -3.199 1.00 0.88 C ATOM 918 O PRO A 64 -9.134 8.777 -3.210 1.00 1.13 O ATOM 919 CB PRO A 64 -11.283 8.120 -5.363 1.00 1.03 C ATOM 920 CG PRO A 64 -12.684 7.931 -4.878 1.00 1.00 C ATOM 921 CD PRO A 64 -12.776 6.522 -4.336 1.00 0.90 C ATOM 0 HA PRO A 64 -9.511 6.872 -4.917 1.00 0.88 H new ATOM 0 HB2 PRO A 64 -10.968 9.160 -5.274 1.00 1.03 H new ATOM 0 HB3 PRO A 64 -11.186 7.847 -6.414 1.00 1.03 H new ATOM 0 HG2 PRO A 64 -12.926 8.659 -4.104 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -13.397 8.080 -5.689 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -13.292 6.496 -3.376 1.00 0.90 H new ATOM 0 HD3 PRO A 64 -13.327 5.869 -5.012 1.00 0.90 H new ATOM 929 N GLU A 65 -10.692 7.596 -2.105 1.00 0.77 N ATOM 930 CA GLU A 65 -10.498 8.282 -0.832 1.00 0.97 C ATOM 931 C GLU A 65 -9.351 7.641 -0.044 1.00 0.79 C ATOM 932 O GLU A 65 -9.051 8.030 1.088 1.00 0.85 O ATOM 933 CB GLU A 65 -11.810 8.237 -0.032 1.00 1.28 C ATOM 934 CG GLU A 65 -11.884 9.206 1.145 1.00 1.79 C ATOM 935 CD GLU A 65 -13.233 9.166 1.837 1.00 2.02 C ATOM 936 OE1 GLU A 65 -14.252 8.952 1.156 1.00 2.33 O ATOM 937 OE2 GLU A 65 -13.274 9.324 3.078 1.00 2.36 O ATOM 0 H GLU A 65 -11.375 6.839 -2.071 1.00 0.77 H new ATOM 0 HA GLU A 65 -10.229 9.322 -1.016 1.00 0.97 H new ATOM 0 HB2 GLU A 65 -12.638 8.448 -0.709 1.00 1.28 H new ATOM 0 HB3 GLU A 65 -11.955 7.224 0.342 1.00 1.28 H new ATOM 0 HG2 GLU A 65 -11.102 8.962 1.864 1.00 1.79 H new ATOM 0 HG3 GLU A 65 -11.688 10.219 0.792 1.00 1.79 H new ATOM 944 N PHE A 66 -8.703 6.662 -0.658 1.00 0.73 N ATOM 945 CA PHE A 66 -7.607 5.951 -0.020 1.00 0.62 C ATOM 946 C PHE A 66 -6.276 6.621 -0.344 1.00 0.53 C ATOM 947 O PHE A 66 -5.896 6.754 -1.507 1.00 0.62 O ATOM 948 CB PHE A 66 -7.608 4.489 -0.480 1.00 0.66 C ATOM 949 CG PHE A 66 -6.548 3.637 0.161 1.00 0.61 C ATOM 950 CD1 PHE A 66 -6.741 3.077 1.415 1.00 0.69 C ATOM 951 CD2 PHE A 66 -5.355 3.393 -0.500 1.00 0.60 C ATOM 952 CE1 PHE A 66 -5.762 2.294 1.994 1.00 0.73 C ATOM 953 CE2 PHE A 66 -4.377 2.611 0.075 1.00 0.64 C ATOM 954 CZ PHE A 66 -4.579 2.061 1.324 1.00 0.70 C ATOM 0 H PHE A 66 -8.919 6.341 -1.602 1.00 0.73 H new ATOM 0 HA PHE A 66 -7.741 5.980 1.061 1.00 0.62 H new ATOM 0 HB2 PHE A 66 -8.585 4.054 -0.267 1.00 0.66 H new ATOM 0 HB3 PHE A 66 -7.475 4.461 -1.562 1.00 0.66 H new ATOM 0 HD1 PHE A 66 -7.666 3.255 1.944 1.00 0.69 H new ATOM 0 HD2 PHE A 66 -5.190 3.821 -1.478 1.00 0.60 H new ATOM 0 HE1 PHE A 66 -5.923 1.864 2.972 1.00 0.73 H new ATOM 0 HE2 PHE A 66 -3.452 2.429 -0.452 1.00 0.64 H new ATOM 0 HZ PHE A 66 -3.812 1.449 1.776 1.00 0.70 H new ATOM 964 N SER A 67 -5.580 7.056 0.692 1.00 0.43 N ATOM 965 CA SER A 67 -4.283 7.684 0.530 1.00 0.37 C ATOM 966 C SER A 67 -3.340 7.223 1.630 1.00 0.35 C ATOM 967 O SER A 67 -3.634 7.386 2.816 1.00 0.39 O ATOM 968 CB SER A 67 -4.428 9.202 0.555 1.00 0.41 C ATOM 969 OG SER A 67 -5.319 9.643 -0.454 1.00 1.39 O ATOM 0 H SER A 67 -5.895 6.984 1.659 1.00 0.43 H new ATOM 0 HA SER A 67 -3.865 7.391 -0.433 1.00 0.37 H new ATOM 0 HB2 SER A 67 -4.793 9.520 1.532 1.00 0.41 H new ATOM 0 HB3 SER A 67 -3.452 9.667 0.412 1.00 0.41 H new ATOM 0 HG SER A 67 -5.768 10.463 -0.159 1.00 1.39 H new ATOM 975 N LEU A 68 -2.211 6.642 1.228 1.00 0.34 N ATOM 976 CA LEU A 68 -1.237 6.108 2.184 1.00 0.34 C ATOM 977 C LEU A 68 -0.787 7.177 3.173 1.00 0.37 C ATOM 978 O LEU A 68 -0.781 6.958 4.377 1.00 0.62 O ATOM 979 CB LEU A 68 -0.005 5.543 1.466 1.00 0.33 C ATOM 980 CG LEU A 68 -0.255 4.363 0.528 1.00 0.26 C ATOM 981 CD1 LEU A 68 1.067 3.800 0.034 1.00 0.48 C ATOM 982 CD2 LEU A 68 -1.059 3.281 1.228 1.00 0.73 C ATOM 0 H LEU A 68 -1.947 6.528 0.249 1.00 0.34 H new ATOM 0 HA LEU A 68 -1.736 5.305 2.727 1.00 0.34 H new ATOM 0 HB2 LEU A 68 0.455 6.347 0.891 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.720 5.235 2.220 1.00 0.33 H new ATOM 0 HG LEU A 68 -0.830 4.717 -0.327 1.00 0.26 H new ATOM 0 HD11 LEU A 68 0.878 2.960 -0.634 1.00 0.48 H new ATOM 0 HD12 LEU A 68 1.614 4.574 -0.504 1.00 0.48 H new ATOM 0 HD13 LEU A 68 1.659 3.462 0.884 1.00 0.48 H new ATOM 0 HD21 LEU A 68 -1.226 2.450 0.542 1.00 0.73 H new ATOM 0 HD22 LEU A 68 -0.510 2.927 2.100 1.00 0.73 H new ATOM 0 HD23 LEU A 68 -2.019 3.688 1.544 1.00 0.73 H new ATOM 994 N PHE A 69 -0.459 8.348 2.645 1.00 0.31 N ATOM 995 CA PHE A 69 0.110 9.450 3.426 1.00 0.30 C ATOM 996 C PHE A 69 -0.787 9.856 4.607 1.00 0.35 C ATOM 997 O PHE A 69 -0.358 10.598 5.492 1.00 0.42 O ATOM 998 CB PHE A 69 0.330 10.651 2.497 1.00 0.36 C ATOM 999 CG PHE A 69 1.169 11.755 3.077 1.00 0.33 C ATOM 1000 CD1 PHE A 69 2.185 11.486 3.982 1.00 0.36 C ATOM 1001 CD2 PHE A 69 0.955 13.065 2.688 1.00 0.57 C ATOM 1002 CE1 PHE A 69 2.964 12.507 4.492 1.00 0.36 C ATOM 1003 CE2 PHE A 69 1.729 14.090 3.195 1.00 0.59 C ATOM 1004 CZ PHE A 69 2.735 13.811 4.097 1.00 0.36 C ATOM 0 H PHE A 69 -0.579 8.567 1.656 1.00 0.31 H new ATOM 0 HA PHE A 69 1.056 9.113 3.849 1.00 0.30 H new ATOM 0 HB2 PHE A 69 0.802 10.300 1.579 1.00 0.36 H new ATOM 0 HB3 PHE A 69 -0.642 11.060 2.220 1.00 0.36 H new ATOM 0 HD1 PHE A 69 2.369 10.468 4.291 1.00 0.36 H new ATOM 0 HD2 PHE A 69 0.172 13.289 1.978 1.00 0.57 H new ATOM 0 HE1 PHE A 69 3.751 12.286 5.198 1.00 0.36 H new ATOM 0 HE2 PHE A 69 1.547 15.109 2.886 1.00 0.59 H new ATOM 0 HZ PHE A 69 3.343 14.611 4.494 1.00 0.36 H new ATOM 1014 N ILE A 70 -2.023 9.368 4.630 1.00 0.38 N ATOM 1015 CA ILE A 70 -2.954 9.742 5.689 1.00 0.51 C ATOM 1016 C ILE A 70 -3.332 8.536 6.556 1.00 0.55 C ATOM 1017 O ILE A 70 -3.405 8.648 7.781 1.00 0.70 O ATOM 1018 CB ILE A 70 -4.245 10.420 5.133 1.00 0.60 C ATOM 1019 CG1 ILE A 70 -3.894 11.741 4.430 1.00 0.70 C ATOM 1020 CG2 ILE A 70 -5.248 10.673 6.258 1.00 0.74 C ATOM 1021 CD1 ILE A 70 -5.100 12.466 3.857 1.00 0.89 C ATOM 0 H ILE A 70 -2.400 8.721 3.937 1.00 0.38 H new ATOM 0 HA ILE A 70 -2.432 10.472 6.308 1.00 0.51 H new ATOM 0 HB ILE A 70 -4.701 9.746 4.408 1.00 0.60 H new ATOM 0 HG12 ILE A 70 -3.390 12.397 5.139 1.00 0.70 H new ATOM 0 HG13 ILE A 70 -3.187 11.538 3.626 1.00 0.70 H new ATOM 0 HG21 ILE A 70 -6.141 11.146 5.850 1.00 0.74 H new ATOM 0 HG22 ILE A 70 -5.520 9.725 6.723 1.00 0.74 H new ATOM 0 HG23 ILE A 70 -4.799 11.328 7.005 1.00 0.74 H new ATOM 0 HD11 ILE A 70 -4.775 13.389 3.377 1.00 0.89 H new ATOM 0 HD12 ILE A 70 -5.593 11.829 3.123 1.00 0.89 H new ATOM 0 HD13 ILE A 70 -5.798 12.701 4.660 1.00 0.89 H new ATOM 1033 N ASP A 71 -3.545 7.380 5.933 1.00 0.50 N ATOM 1034 CA ASP A 71 -4.092 6.227 6.655 1.00 0.65 C ATOM 1035 C ASP A 71 -3.125 5.031 6.666 1.00 0.58 C ATOM 1036 O ASP A 71 -3.472 3.938 7.113 1.00 0.70 O ATOM 1037 CB ASP A 71 -5.441 5.830 6.038 1.00 0.82 C ATOM 1038 CG ASP A 71 -6.205 4.827 6.880 1.00 1.45 C ATOM 1039 OD1 ASP A 71 -6.642 5.189 7.996 1.00 1.80 O ATOM 1040 OD2 ASP A 71 -6.394 3.682 6.426 1.00 2.23 O ATOM 0 H ASP A 71 -3.352 7.214 4.945 1.00 0.50 H new ATOM 0 HA ASP A 71 -4.237 6.520 7.695 1.00 0.65 H new ATOM 0 HB2 ASP A 71 -6.051 6.724 5.905 1.00 0.82 H new ATOM 0 HB3 ASP A 71 -5.271 5.410 5.047 1.00 0.82 H new ATOM 1045 N CYS A 72 -1.896 5.240 6.211 1.00 0.47 N ATOM 1046 CA CYS A 72 -0.919 4.159 6.131 1.00 0.49 C ATOM 1047 C CYS A 72 0.474 4.691 6.429 1.00 0.52 C ATOM 1048 O CYS A 72 1.025 5.494 5.679 1.00 1.00 O ATOM 1049 CB CYS A 72 -0.954 3.492 4.757 1.00 0.50 C ATOM 1050 SG CYS A 72 -2.539 2.720 4.364 1.00 0.59 S ATOM 0 H CYS A 72 -1.552 6.146 5.892 1.00 0.47 H new ATOM 0 HA CYS A 72 -1.176 3.407 6.877 1.00 0.49 H new ATOM 0 HB2 CYS A 72 -0.724 4.237 3.995 1.00 0.50 H new ATOM 0 HB3 CYS A 72 -0.170 2.736 4.710 1.00 0.50 H new ATOM 0 HG CYS A 72 -3.333 2.812 5.389 1.00 0.59 H new ATOM 1056 N THR A 73 1.040 4.235 7.527 1.00 0.33 N ATOM 1057 CA THR A 73 2.268 4.810 8.037 1.00 0.34 C ATOM 1058 C THR A 73 3.481 3.966 7.628 1.00 0.29 C ATOM 1059 O THR A 73 4.245 4.363 6.744 1.00 0.39 O ATOM 1060 CB THR A 73 2.164 4.964 9.567 1.00 0.52 C ATOM 1061 OG1 THR A 73 1.853 3.701 10.173 1.00 0.63 O ATOM 1062 CG2 THR A 73 1.076 5.975 9.921 1.00 0.67 C ATOM 0 H THR A 73 0.669 3.466 8.085 1.00 0.33 H new ATOM 0 HA THR A 73 2.413 5.798 7.601 1.00 0.34 H new ATOM 0 HB THR A 73 3.124 5.318 9.944 1.00 0.52 H new ATOM 0 HG1 THR A 73 1.791 3.811 11.145 1.00 0.63 H new ATOM 0 HG21 THR A 73 1.011 6.076 11.004 1.00 0.67 H new ATOM 0 HG22 THR A 73 1.320 6.942 9.481 1.00 0.67 H new ATOM 0 HG23 THR A 73 0.118 5.630 9.531 1.00 0.67 H new ATOM 1070 N THR A 74 3.671 2.809 8.256 1.00 0.28 N ATOM 1071 CA THR A 74 4.772 1.925 7.893 1.00 0.27 C ATOM 1072 C THR A 74 4.389 1.052 6.696 1.00 0.25 C ATOM 1073 O THR A 74 3.313 1.227 6.118 1.00 0.25 O ATOM 1074 CB THR A 74 5.197 1.039 9.079 1.00 0.33 C ATOM 1075 OG1 THR A 74 4.112 0.185 9.464 1.00 0.38 O ATOM 1076 CG2 THR A 74 5.606 1.896 10.265 1.00 0.36 C ATOM 0 H THR A 74 3.081 2.464 9.013 1.00 0.28 H new ATOM 0 HA THR A 74 5.620 2.552 7.618 1.00 0.27 H new ATOM 0 HB THR A 74 6.048 0.433 8.768 1.00 0.33 H new ATOM 0 HG1 THR A 74 4.389 -0.377 10.217 1.00 0.38 H new ATOM 0 HG21 THR A 74 5.903 1.253 11.093 1.00 0.36 H new ATOM 0 HG22 THR A 74 6.444 2.533 9.982 1.00 0.36 H new ATOM 0 HG23 THR A 74 4.765 2.518 10.572 1.00 0.36 H new ATOM 1084 N VAL A 75 5.244 0.100 6.329 1.00 0.25 N ATOM 1085 CA VAL A 75 4.980 -0.712 5.161 1.00 0.25 C ATOM 1086 C VAL A 75 4.069 -1.856 5.546 1.00 0.25 C ATOM 1087 O VAL A 75 3.157 -2.238 4.806 1.00 0.24 O ATOM 1088 CB VAL A 75 6.278 -1.224 4.507 1.00 0.30 C ATOM 1089 CG1 VAL A 75 6.023 -2.420 3.603 1.00 0.61 C ATOM 1090 CG2 VAL A 75 6.908 -0.101 3.707 1.00 0.68 C ATOM 0 H VAL A 75 6.111 -0.120 6.820 1.00 0.25 H new ATOM 0 HA VAL A 75 4.484 -0.093 4.413 1.00 0.25 H new ATOM 0 HB VAL A 75 6.953 -1.549 5.299 1.00 0.30 H new ATOM 0 HG11 VAL A 75 6.964 -2.750 3.162 1.00 0.61 H new ATOM 0 HG12 VAL A 75 5.592 -3.233 4.188 1.00 0.61 H new ATOM 0 HG13 VAL A 75 5.331 -2.136 2.811 1.00 0.61 H new ATOM 0 HG21 VAL A 75 7.827 -0.457 3.242 1.00 0.68 H new ATOM 0 HG22 VAL A 75 6.214 0.229 2.934 1.00 0.68 H new ATOM 0 HG23 VAL A 75 7.137 0.734 4.369 1.00 0.68 H new ATOM 1100 N ARG A 76 4.322 -2.375 6.735 1.00 0.27 N ATOM 1101 CA ARG A 76 3.505 -3.408 7.326 1.00 0.29 C ATOM 1102 C ARG A 76 2.059 -2.938 7.450 1.00 0.25 C ATOM 1103 O ARG A 76 1.139 -3.727 7.302 1.00 0.27 O ATOM 1104 CB ARG A 76 4.056 -3.759 8.694 1.00 0.37 C ATOM 1105 CG ARG A 76 3.578 -5.092 9.232 1.00 0.55 C ATOM 1106 CD ARG A 76 4.330 -6.252 8.591 1.00 1.21 C ATOM 1107 NE ARG A 76 3.931 -7.552 9.131 1.00 1.75 N ATOM 1108 CZ ARG A 76 4.737 -8.343 9.850 1.00 2.39 C ATOM 1109 NH1 ARG A 76 5.951 -7.938 10.201 1.00 2.68 N ATOM 1110 NH2 ARG A 76 4.311 -9.535 10.244 1.00 3.23 N ATOM 0 H ARG A 76 5.107 -2.086 7.318 1.00 0.27 H new ATOM 0 HA ARG A 76 3.526 -4.290 6.686 1.00 0.29 H new ATOM 0 HB2 ARG A 76 5.145 -3.770 8.643 1.00 0.37 H new ATOM 0 HB3 ARG A 76 3.777 -2.975 9.398 1.00 0.37 H new ATOM 0 HG2 ARG A 76 3.715 -5.120 10.313 1.00 0.55 H new ATOM 0 HG3 ARG A 76 2.510 -5.200 9.044 1.00 0.55 H new ATOM 0 HD2 ARG A 76 4.156 -6.242 7.515 1.00 1.21 H new ATOM 0 HD3 ARG A 76 5.400 -6.113 8.743 1.00 1.21 H new ATOM 0 HE ARG A 76 2.981 -7.875 8.949 1.00 1.75 H new ATOM 0 HH11 ARG A 76 6.281 -7.014 9.923 1.00 2.68 H new ATOM 0 HH12 ARG A 76 6.555 -8.551 10.749 1.00 2.68 H new ATOM 0 HH21 ARG A 76 3.371 -9.847 9.999 1.00 3.23 H new ATOM 0 HH22 ARG A 76 4.923 -10.140 10.792 1.00 3.23 H new ATOM 1124 N ALA A 77 1.872 -1.641 7.699 1.00 0.23 N ATOM 1125 CA ALA A 77 0.534 -1.061 7.814 1.00 0.24 C ATOM 1126 C ALA A 77 -0.254 -1.238 6.515 1.00 0.23 C ATOM 1127 O ALA A 77 -1.455 -1.505 6.541 1.00 0.29 O ATOM 1128 CB ALA A 77 0.618 0.412 8.207 1.00 0.25 C ATOM 0 H ALA A 77 2.632 -0.972 7.825 1.00 0.23 H new ATOM 0 HA ALA A 77 0.000 -1.593 8.602 1.00 0.24 H new ATOM 0 HB1 ALA A 77 -0.388 0.825 8.287 1.00 0.25 H new ATOM 0 HB2 ALA A 77 1.126 0.504 9.167 1.00 0.25 H new ATOM 0 HB3 ALA A 77 1.176 0.960 7.448 1.00 0.25 H new ATOM 1134 N LEU A 78 0.433 -1.107 5.380 1.00 0.19 N ATOM 1135 CA LEU A 78 -0.182 -1.323 4.073 1.00 0.18 C ATOM 1136 C LEU A 78 -0.480 -2.809 3.906 1.00 0.21 C ATOM 1137 O LEU A 78 -1.587 -3.200 3.567 1.00 0.26 O ATOM 1138 CB LEU A 78 0.783 -0.852 2.980 1.00 0.19 C ATOM 1139 CG LEU A 78 0.182 -0.175 1.746 1.00 0.25 C ATOM 1140 CD1 LEU A 78 1.301 0.448 0.922 1.00 0.64 C ATOM 1141 CD2 LEU A 78 -0.615 -1.135 0.880 1.00 0.52 C ATOM 0 H LEU A 78 1.420 -0.851 5.341 1.00 0.19 H new ATOM 0 HA LEU A 78 -1.111 -0.759 3.995 1.00 0.18 H new ATOM 0 HB2 LEU A 78 1.490 -0.157 3.433 1.00 0.19 H new ATOM 0 HB3 LEU A 78 1.356 -1.716 2.643 1.00 0.19 H new ATOM 0 HG LEU A 78 -0.511 0.590 2.097 1.00 0.25 H new ATOM 0 HD11 LEU A 78 0.878 0.932 0.041 1.00 0.64 H new ATOM 0 HD12 LEU A 78 1.828 1.188 1.525 1.00 0.64 H new ATOM 0 HD13 LEU A 78 1.999 -0.329 0.609 1.00 0.64 H new ATOM 0 HD21 LEU A 78 -1.018 -0.600 0.020 1.00 0.52 H new ATOM 0 HD22 LEU A 78 0.035 -1.939 0.536 1.00 0.52 H new ATOM 0 HD23 LEU A 78 -1.435 -1.555 1.462 1.00 0.52 H new ATOM 1153 N LYS A 79 0.537 -3.621 4.178 1.00 0.23 N ATOM 1154 CA LYS A 79 0.445 -5.085 4.109 1.00 0.29 C ATOM 1155 C LYS A 79 -0.720 -5.594 4.943 1.00 0.33 C ATOM 1156 O LYS A 79 -1.616 -6.261 4.435 1.00 0.35 O ATOM 1157 CB LYS A 79 1.755 -5.675 4.625 1.00 0.36 C ATOM 1158 CG LYS A 79 2.972 -5.128 3.899 1.00 0.40 C ATOM 1159 CD LYS A 79 3.122 -5.735 2.517 1.00 0.78 C ATOM 1160 CE LYS A 79 3.064 -4.675 1.431 1.00 1.42 C ATOM 1161 NZ LYS A 79 1.721 -4.038 1.336 1.00 2.40 N ATOM 0 H LYS A 79 1.459 -3.283 4.455 1.00 0.23 H new ATOM 0 HA LYS A 79 0.274 -5.390 3.077 1.00 0.29 H new ATOM 0 HB2 LYS A 79 1.848 -5.465 5.691 1.00 0.36 H new ATOM 0 HB3 LYS A 79 1.728 -6.759 4.515 1.00 0.36 H new ATOM 0 HG2 LYS A 79 2.888 -4.045 3.813 1.00 0.40 H new ATOM 0 HG3 LYS A 79 3.868 -5.333 4.485 1.00 0.40 H new ATOM 0 HD2 LYS A 79 4.070 -6.269 2.455 1.00 0.78 H new ATOM 0 HD3 LYS A 79 2.332 -6.468 2.353 1.00 0.78 H new ATOM 0 HE2 LYS A 79 3.814 -3.910 1.633 1.00 1.42 H new ATOM 0 HE3 LYS A 79 3.319 -5.126 0.472 1.00 1.42 H new ATOM 0 HZ1 LYS A 79 1.772 -3.212 0.706 1.00 2.40 H new ATOM 0 HZ2 LYS A 79 1.038 -4.723 0.954 1.00 2.40 H new ATOM 0 HZ3 LYS A 79 1.414 -3.733 2.282 1.00 2.40 H new ATOM 1175 N ASP A 80 -0.701 -5.235 6.212 1.00 0.40 N ATOM 1176 CA ASP A 80 -1.729 -5.631 7.167 1.00 0.55 C ATOM 1177 C ASP A 80 -3.116 -5.208 6.697 1.00 0.51 C ATOM 1178 O ASP A 80 -4.089 -5.927 6.893 1.00 0.58 O ATOM 1179 CB ASP A 80 -1.416 -5.016 8.538 1.00 0.74 C ATOM 1180 CG ASP A 80 -2.520 -5.227 9.554 1.00 1.23 C ATOM 1181 OD1 ASP A 80 -2.542 -6.292 10.207 1.00 1.58 O ATOM 1182 OD2 ASP A 80 -3.352 -4.312 9.724 1.00 1.66 O ATOM 0 H ASP A 80 0.034 -4.655 6.617 1.00 0.40 H new ATOM 0 HA ASP A 80 -1.728 -6.718 7.247 1.00 0.55 H new ATOM 0 HB2 ASP A 80 -0.492 -5.449 8.921 1.00 0.74 H new ATOM 0 HB3 ASP A 80 -1.241 -3.947 8.418 1.00 0.74 H new ATOM 1187 N PHE A 81 -3.186 -4.057 6.044 1.00 0.46 N ATOM 1188 CA PHE A 81 -4.454 -3.525 5.556 1.00 0.49 C ATOM 1189 C PHE A 81 -4.991 -4.360 4.396 1.00 0.45 C ATOM 1190 O PHE A 81 -6.200 -4.549 4.254 1.00 0.52 O ATOM 1191 CB PHE A 81 -4.294 -2.067 5.113 1.00 0.50 C ATOM 1192 CG PHE A 81 -5.596 -1.411 4.752 1.00 0.60 C ATOM 1193 CD1 PHE A 81 -6.477 -1.003 5.739 1.00 0.84 C ATOM 1194 CD2 PHE A 81 -5.938 -1.204 3.425 1.00 0.57 C ATOM 1195 CE1 PHE A 81 -7.679 -0.406 5.411 1.00 0.99 C ATOM 1196 CE2 PHE A 81 -7.137 -0.606 3.092 1.00 0.73 C ATOM 1197 CZ PHE A 81 -8.008 -0.205 4.086 1.00 0.91 C ATOM 0 H PHE A 81 -2.377 -3.470 5.838 1.00 0.46 H new ATOM 0 HA PHE A 81 -5.169 -3.571 6.377 1.00 0.49 H new ATOM 0 HB2 PHE A 81 -3.819 -1.501 5.914 1.00 0.50 H new ATOM 0 HB3 PHE A 81 -3.624 -2.027 4.254 1.00 0.50 H new ATOM 0 HD1 PHE A 81 -6.222 -1.153 6.778 1.00 0.84 H new ATOM 0 HD2 PHE A 81 -5.260 -1.514 2.644 1.00 0.57 H new ATOM 0 HE1 PHE A 81 -8.360 -0.097 6.190 1.00 0.99 H new ATOM 0 HE2 PHE A 81 -7.394 -0.452 2.054 1.00 0.73 H new ATOM 0 HZ PHE A 81 -8.945 0.265 3.827 1.00 0.91 H new ATOM 1207 N MET A 82 -4.086 -4.853 3.568 1.00 0.37 N ATOM 1208 CA MET A 82 -4.469 -5.640 2.398 1.00 0.38 C ATOM 1209 C MET A 82 -5.151 -6.937 2.813 1.00 0.58 C ATOM 1210 O MET A 82 -6.163 -7.328 2.236 1.00 0.69 O ATOM 1211 CB MET A 82 -3.249 -5.951 1.544 1.00 0.36 C ATOM 1212 CG MET A 82 -2.379 -4.735 1.290 1.00 0.51 C ATOM 1213 SD MET A 82 -0.940 -5.089 0.273 1.00 1.10 S ATOM 1214 CE MET A 82 -1.597 -4.687 -1.340 1.00 0.20 C ATOM 0 H MET A 82 -3.080 -4.725 3.680 1.00 0.37 H new ATOM 0 HA MET A 82 -5.173 -5.049 1.813 1.00 0.38 H new ATOM 0 HB2 MET A 82 -2.654 -6.720 2.036 1.00 0.36 H new ATOM 0 HB3 MET A 82 -3.576 -6.363 0.589 1.00 0.36 H new ATOM 0 HG2 MET A 82 -2.977 -3.964 0.805 1.00 0.51 H new ATOM 0 HG3 MET A 82 -2.048 -4.328 2.245 1.00 0.51 H new ATOM 0 HE1 MET A 82 -1.319 -5.465 -2.051 1.00 0.20 H new ATOM 0 HE2 MET A 82 -2.683 -4.619 -1.284 1.00 0.20 H new ATOM 0 HE3 MET A 82 -1.190 -3.731 -1.671 1.00 0.20 H new ATOM 1224 N LEU A 83 -4.587 -7.610 3.812 1.00 0.69 N ATOM 1225 CA LEU A 83 -5.156 -8.856 4.304 1.00 0.92 C ATOM 1226 C LEU A 83 -6.272 -8.578 5.310 1.00 1.02 C ATOM 1227 O LEU A 83 -7.314 -9.236 5.299 1.00 1.18 O ATOM 1228 CB LEU A 83 -4.071 -9.750 4.941 1.00 1.04 C ATOM 1229 CG LEU A 83 -2.966 -10.268 3.992 1.00 1.06 C ATOM 1230 CD1 LEU A 83 -2.029 -9.148 3.568 1.00 0.87 C ATOM 1231 CD2 LEU A 83 -2.165 -11.394 4.647 1.00 1.30 C ATOM 0 H LEU A 83 -3.739 -7.313 4.294 1.00 0.69 H new ATOM 0 HA LEU A 83 -5.578 -9.389 3.452 1.00 0.92 H new ATOM 0 HB2 LEU A 83 -3.596 -9.190 5.746 1.00 1.04 H new ATOM 0 HB3 LEU A 83 -4.561 -10.610 5.397 1.00 1.04 H new ATOM 0 HG LEU A 83 -3.461 -10.659 3.103 1.00 1.06 H new ATOM 0 HD11 LEU A 83 -1.264 -9.546 2.901 1.00 0.87 H new ATOM 0 HD12 LEU A 83 -2.597 -8.376 3.049 1.00 0.87 H new ATOM 0 HD13 LEU A 83 -1.554 -8.718 4.450 1.00 0.87 H new ATOM 0 HD21 LEU A 83 -1.394 -11.740 3.958 1.00 1.30 H new ATOM 0 HD22 LEU A 83 -1.697 -11.024 5.559 1.00 1.30 H new ATOM 0 HD23 LEU A 83 -2.832 -12.221 4.891 1.00 1.30 H new ATOM 1243 N GLY A 84 -6.053 -7.596 6.167 1.00 1.01 N ATOM 1244 CA GLY A 84 -7.063 -7.201 7.131 1.00 1.21 C ATOM 1245 C GLY A 84 -7.572 -5.800 6.862 1.00 1.69 C ATOM 1246 O GLY A 84 -7.138 -4.841 7.502 1.00 2.42 O ATOM 0 H GLY A 84 -5.187 -7.059 6.215 1.00 1.01 H new ATOM 0 HA2 GLY A 84 -7.895 -7.904 7.096 1.00 1.21 H new ATOM 0 HA3 GLY A 84 -6.646 -7.250 8.137 1.00 1.21 H new ATOM 1250 N SER A 85 -8.499 -5.681 5.918 1.00 2.15 N ATOM 1251 CA SER A 85 -8.992 -4.379 5.467 1.00 3.14 C ATOM 1252 C SER A 85 -10.024 -3.789 6.433 1.00 3.47 C ATOM 1253 O SER A 85 -11.007 -3.178 6.013 1.00 4.25 O ATOM 1254 CB SER A 85 -9.608 -4.537 4.080 1.00 3.98 C ATOM 1255 OG SER A 85 -8.726 -5.240 3.220 1.00 4.47 O ATOM 0 H SER A 85 -8.929 -6.476 5.445 1.00 2.15 H new ATOM 0 HA SER A 85 -8.150 -3.688 5.433 1.00 3.14 H new ATOM 0 HB2 SER A 85 -10.555 -5.072 4.155 1.00 3.98 H new ATOM 0 HB3 SER A 85 -9.829 -3.556 3.660 1.00 3.98 H new ATOM 0 HG SER A 85 -7.800 -5.069 3.490 1.00 4.47 H new ATOM 1261 N GLY A 86 -9.776 -3.940 7.723 1.00 3.24 N ATOM 1262 CA GLY A 86 -10.699 -3.447 8.721 1.00 3.96 C ATOM 1263 C GLY A 86 -11.796 -4.446 9.010 1.00 4.20 C ATOM 1264 O GLY A 86 -12.934 -4.278 8.575 1.00 4.59 O ATOM 0 H GLY A 86 -8.946 -4.398 8.099 1.00 3.24 H new ATOM 0 HA2 GLY A 86 -10.157 -3.226 9.640 1.00 3.96 H new ATOM 0 HA3 GLY A 86 -11.140 -2.511 8.378 1.00 3.96 H new ATOM 1268 N ASP A 87 -11.450 -5.479 9.761 1.00 4.46 N ATOM 1269 CA ASP A 87 -12.377 -6.568 10.071 1.00 5.16 C ATOM 1270 C ASP A 87 -13.218 -6.220 11.300 1.00 5.94 C ATOM 1271 O ASP A 87 -13.693 -7.114 12.005 1.00 6.41 O ATOM 1272 CB ASP A 87 -11.602 -7.864 10.337 1.00 5.58 C ATOM 1273 CG ASP A 87 -10.619 -8.212 9.235 1.00 6.09 C ATOM 1274 OD1 ASP A 87 -9.458 -7.753 9.309 1.00 6.28 O ATOM 1275 OD2 ASP A 87 -10.985 -8.963 8.309 1.00 6.61 O ATOM 0 H ASP A 87 -10.524 -5.591 10.174 1.00 4.46 H new ATOM 0 HA ASP A 87 -13.036 -6.710 9.215 1.00 5.16 H new ATOM 0 HB2 ASP A 87 -11.062 -7.770 11.279 1.00 5.58 H new ATOM 0 HB3 ASP A 87 -12.310 -8.685 10.456 1.00 5.58 H new ATOM 1280 N ALA A 88 -13.410 -4.920 11.524 1.00 6.41 N ATOM 1281 CA ALA A 88 -14.084 -4.409 12.715 1.00 7.43 C ATOM 1282 C ALA A 88 -13.309 -4.803 13.964 1.00 7.93 C ATOM 1283 O ALA A 88 -13.616 -5.799 14.621 1.00 8.47 O ATOM 1284 CB ALA A 88 -15.528 -4.888 12.793 1.00 8.00 C ATOM 0 H ALA A 88 -13.101 -4.190 10.882 1.00 6.41 H new ATOM 0 HA ALA A 88 -14.111 -3.321 12.648 1.00 7.43 H new ATOM 0 HB1 ALA A 88 -15.996 -4.487 13.692 1.00 8.00 H new ATOM 0 HB2 ALA A 88 -16.074 -4.543 11.915 1.00 8.00 H new ATOM 0 HB3 ALA A 88 -15.549 -5.977 12.828 1.00 8.00 H new ATOM 1290 N GLY A 89 -12.277 -4.031 14.256 1.00 8.03 N ATOM 1291 CA GLY A 89 -11.424 -4.331 15.384 1.00 8.78 C ATOM 1292 C GLY A 89 -10.116 -3.576 15.304 1.00 9.30 C ATOM 1293 O GLY A 89 -9.696 -3.246 14.175 1.00 9.50 O ATOM 1294 OXT GLY A 89 -9.505 -3.315 16.358 1.00 9.73 O ATOM 0 H GLY A 89 -12.013 -3.198 13.730 1.00 8.03 H new ATOM 0 HA2 GLY A 89 -11.938 -4.073 16.310 1.00 8.78 H new ATOM 0 HA3 GLY A 89 -11.226 -5.402 15.417 1.00 8.78 H new TER 1298 GLY A 89 HETATM 1299 O23 PNS A 90 0.840 17.539 -2.194 1.00 1.52 O HETATM 1300 P24 PNS A 90 -0.013 16.667 -1.344 1.00 1.19 P HETATM 1301 O26 PNS A 90 -0.472 17.186 -0.029 1.00 1.74 O HETATM 1302 O27 PNS A 90 -1.294 16.257 -2.200 1.00 1.06 O HETATM 1303 C28 PNS A 90 -1.088 15.545 -3.464 1.00 0.87 C HETATM 1304 C29 PNS A 90 -2.348 15.591 -4.331 1.00 0.98 C HETATM 1305 C30 PNS A 90 -2.470 16.998 -4.882 1.00 1.67 C HETATM 1306 C31 PNS A 90 -2.218 14.601 -5.480 1.00 1.74 C HETATM 1307 C32 PNS A 90 -3.620 15.240 -3.506 1.00 1.57 C HETATM 1308 O33 PNS A 90 -4.801 15.538 -4.268 1.00 2.32 O HETATM 1309 C34 PNS A 90 -3.658 13.767 -3.097 1.00 2.09 C HETATM 1310 O35 PNS A 90 -2.683 13.195 -2.607 1.00 2.76 O HETATM 1311 N36 PNS A 90 -4.822 13.166 -3.303 1.00 2.50 N HETATM 1312 C37 PNS A 90 -5.091 11.767 -2.980 1.00 3.36 C HETATM 1313 C38 PNS A 90 -6.504 11.343 -3.373 1.00 3.97 C HETATM 1314 C39 PNS A 90 -7.595 12.061 -2.589 1.00 4.60 C HETATM 1315 O40 PNS A 90 -8.774 12.026 -2.947 1.00 4.92 O HETATM 1316 N41 PNS A 90 -7.177 12.719 -1.514 1.00 5.23 N HETATM 1317 C42 PNS A 90 -8.062 13.477 -0.635 1.00 6.22 C HETATM 1318 C43 PNS A 90 -7.303 14.069 0.537 1.00 7.02 C HETATM 1319 S44 PNS A 90 -5.828 15.004 0.058 1.00 7.55 S HETATM 0 H432 PNS A 90 -7.971 14.724 1.096 1.00 7.02 H new HETATM 0 H431 PNS A 90 -7.008 13.264 1.210 1.00 7.02 H new HETATM 0 H422 PNS A 90 -8.855 12.827 -0.266 1.00 6.22 H new HETATM 0 H421 PNS A 90 -8.542 14.276 -1.200 1.00 6.22 H new HETATM 0 H382 PNS A 90 -6.607 10.268 -3.223 1.00 3.97 H new HETATM 0 H381 PNS A 90 -6.648 11.531 -4.437 1.00 3.97 H new HETATM 0 H372 PNS A 90 -4.951 11.610 -1.910 1.00 3.36 H new HETATM 0 H371 PNS A 90 -4.368 11.133 -3.493 1.00 3.36 H new HETATM 0 H313 PNS A 90 -3.117 14.637 -6.095 1.00 1.74 H new HETATM 0 H312 PNS A 90 -2.092 13.595 -5.081 1.00 1.74 H new HETATM 0 H311 PNS A 90 -1.352 14.861 -6.088 1.00 1.74 H new HETATM 0 H303 PNS A 90 -3.360 17.068 -5.507 1.00 1.67 H new HETATM 0 H302 PNS A 90 -1.588 17.233 -5.479 1.00 1.67 H new HETATM 0 H301 PNS A 90 -2.549 17.706 -4.057 1.00 1.67 H new HETATM 0 H282 PNS A 90 -0.819 14.508 -3.262 1.00 0.87 H new HETATM 0 H281 PNS A 90 -0.254 15.991 -4.005 1.00 0.87 H new HETATM 0 H44 PNS A 90 -5.247 15.473 1.122 1.00 7.55 H new HETATM 0 H41 PNS A 90 -6.182 12.693 -1.290 1.00 5.23 H new HETATM 0 H36 PNS A 90 -5.577 13.715 -3.713 1.00 2.50 H new HETATM 0 H33 PNS A 90 -5.531 15.779 -3.660 1.00 2.32 H new HETATM 0 H32 PNS A 90 -3.586 15.846 -2.600 1.00 1.57 H new