USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.22) USER MOD Single : A 1 ASN N :NH3+ 144:sc= 0.0769 (180deg=-0.284) USER MOD Single : A 2 GLN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 4 SER OG : rot 5:sc= 1.1 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.807 F(o=-1.7,f=-0.81) USER MOD Single : A 9 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.563 K(o=-0.56,f=-3.6!) USER MOD Single : A 15 THR OG1 : rot 95:sc= -0.0425 USER MOD Single : A 18 THR OG1 : rot -76:sc= 1.44 USER MOD Single : A 21 MET CE :methyl -178:sc= -6.59! (180deg=-6.59!) USER MOD Single : A 22 MET CE :methyl -150:sc= -1.26 (180deg=-3.56!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.201 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 42 SER OG : rot 180:sc= -0.697 USER MOD Single : A 43 MET CE :methyl 169:sc= -2.23! (180deg=-2.56!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 46 ASN : amide:sc= -4.72 K(o=-4.7,f=-10!) USER MOD Single : A 53 THR OG1 : rot 133:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 56 MET CE :methyl -178:sc= -0.601 (180deg=-0.619) USER MOD Single : A 59 MET CE :methyl 171:sc= -0.467 (180deg=-0.624) USER MOD Single : A 61 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0864) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.141 -11.514 -5.503 1.00 0.00 N ATOM 2 CA ASN A 1 -15.429 -10.268 -5.102 1.00 0.00 C ATOM 3 C ASN A 1 -13.931 -10.444 -5.325 1.00 0.00 C ATOM 4 O ASN A 1 -13.421 -11.563 -5.364 1.00 0.00 O ATOM 5 CB ASN A 1 -15.695 -9.981 -3.622 1.00 0.00 C ATOM 6 CG ASN A 1 -15.335 -11.208 -2.790 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.183 -12.063 -2.535 1.00 0.00 O ATOM 8 ND2 ASN A 1 -14.115 -11.347 -2.349 1.00 0.00 N ATOM 0 H1 ASN A 1 -16.944 -11.677 -4.862 1.00 0.00 H new ATOM 0 H2 ASN A 1 -16.491 -11.416 -6.478 1.00 0.00 H new ATOM 0 H3 ASN A 1 -15.486 -12.320 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.790 -9.434 -5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.107 -9.123 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -16.744 -9.724 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -13.864 -12.164 -1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.412 -10.638 -2.560 1.00 0.00 H new ATOM 15 N GLN A 2 -13.232 -9.322 -5.471 1.00 0.00 N ATOM 16 CA GLN A 2 -11.788 -9.358 -5.691 1.00 0.00 C ATOM 17 C GLN A 2 -11.058 -8.680 -4.536 1.00 0.00 C ATOM 18 O GLN A 2 -11.616 -7.828 -3.844 1.00 0.00 O ATOM 19 CB GLN A 2 -11.427 -8.644 -6.996 1.00 0.00 C ATOM 20 CG GLN A 2 -9.971 -8.945 -7.355 1.00 0.00 C ATOM 21 CD GLN A 2 -9.823 -9.006 -8.872 1.00 0.00 C ATOM 22 OE1 GLN A 2 -9.179 -8.148 -9.475 1.00 0.00 O ATOM 23 NE2 GLN A 2 -10.387 -9.980 -9.531 1.00 0.00 N ATOM 0 H GLN A 2 -13.636 -8.386 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.482 -10.402 -5.753 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.087 -8.974 -7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.571 -7.569 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.318 -8.174 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.664 -9.892 -6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.921 -10.691 -9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.294 -10.030 -10.546 1.00 0.00 H new ATOM 32 N ALA A 3 -9.802 -9.070 -4.337 1.00 0.00 N ATOM 33 CA ALA A 3 -8.998 -8.494 -3.262 1.00 0.00 C ATOM 34 C ALA A 3 -7.991 -7.497 -3.828 1.00 0.00 C ATOM 35 O ALA A 3 -7.329 -7.762 -4.831 1.00 0.00 O ATOM 36 CB ALA A 3 -8.244 -9.591 -2.509 1.00 0.00 C ATOM 0 H ALA A 3 -9.323 -9.774 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 3 -9.672 -7.982 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.650 -9.143 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.958 -10.294 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.586 -10.119 -3.199 1.00 0.00 H new ATOM 42 N SER A 4 -7.884 -6.346 -3.170 1.00 0.00 N ATOM 43 CA SER A 4 -6.954 -5.311 -3.612 1.00 0.00 C ATOM 44 C SER A 4 -5.941 -5.003 -2.515 1.00 0.00 C ATOM 45 O SER A 4 -5.888 -5.684 -1.490 1.00 0.00 O ATOM 46 CB SER A 4 -7.708 -4.030 -3.969 1.00 0.00 C ATOM 47 OG SER A 4 -7.018 -3.353 -5.010 1.00 0.00 O ATOM 0 H SER A 4 -8.423 -6.108 -2.338 1.00 0.00 H new ATOM 0 HA SER A 4 -6.433 -5.681 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.723 -4.268 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.790 -3.387 -3.093 1.00 0.00 H new ATOM 0 HG SER A 4 -6.260 -3.898 -5.308 1.00 0.00 H new ATOM 53 N VAL A 5 -5.139 -3.967 -2.740 1.00 0.00 N ATOM 54 CA VAL A 5 -4.128 -3.573 -1.762 1.00 0.00 C ATOM 55 C VAL A 5 -4.582 -2.330 -1.004 1.00 0.00 C ATOM 56 O VAL A 5 -5.333 -1.506 -1.525 1.00 0.00 O ATOM 57 CB VAL A 5 -2.794 -3.277 -2.453 1.00 0.00 C ATOM 58 CG1 VAL A 5 -1.706 -3.068 -1.397 1.00 0.00 C ATOM 59 CG2 VAL A 5 -2.409 -4.459 -3.349 1.00 0.00 C ATOM 0 H VAL A 5 -5.167 -3.390 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.995 -4.400 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.893 -2.376 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.757 -2.857 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.977 -2.228 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.609 -3.969 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.459 -4.248 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.311 -5.359 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.182 -4.611 -4.102 1.00 0.00 H new ATOM 69 N VAL A 6 -4.115 -2.205 0.235 1.00 0.00 N ATOM 70 CA VAL A 6 -4.473 -1.061 1.063 1.00 0.00 C ATOM 71 C VAL A 6 -3.342 -0.744 2.039 1.00 0.00 C ATOM 72 O VAL A 6 -2.599 -1.629 2.461 1.00 0.00 O ATOM 73 CB VAL A 6 -5.753 -1.351 1.851 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.187 -0.098 2.613 1.00 0.00 C ATOM 75 CG2 VAL A 6 -6.862 -1.760 0.880 1.00 0.00 C ATOM 0 H VAL A 6 -3.493 -2.877 0.684 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.641 -0.205 0.410 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.565 -2.158 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.098 -0.310 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.398 0.199 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.374 0.711 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.775 -1.967 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.044 -0.950 0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.558 -2.654 0.336 1.00 0.00 H new ATOM 85 N ALA A 7 -3.225 0.532 2.392 1.00 0.00 N ATOM 86 CA ALA A 7 -2.184 0.962 3.320 1.00 0.00 C ATOM 87 C ALA A 7 -2.612 0.694 4.759 1.00 0.00 C ATOM 88 O ALA A 7 -3.636 1.198 5.222 1.00 0.00 O ATOM 89 CB ALA A 7 -1.901 2.456 3.155 1.00 0.00 C ATOM 0 H ALA A 7 -3.831 1.280 2.054 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.280 0.396 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.122 2.758 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.569 2.653 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.810 3.023 3.356 1.00 0.00 H new ATOM 95 N ASN A 8 -1.817 -0.108 5.463 1.00 0.00 N ATOM 96 CA ASN A 8 -2.123 -0.438 6.852 1.00 0.00 C ATOM 97 C ASN A 8 -1.292 0.420 7.800 1.00 0.00 C ATOM 98 O ASN A 8 -0.933 -0.010 8.897 1.00 0.00 O ATOM 99 CB ASN A 8 -1.830 -1.914 7.129 1.00 0.00 C ATOM 100 CG ASN A 8 -2.661 -2.383 8.319 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.958 -2.244 8.288 1.00 0.00 O flip ATOM 102 ND2 ASN A 8 -2.119 -2.888 9.302 1.00 0.00 N flip ATOM 0 H ASN A 8 -0.966 -0.537 5.100 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.182 -0.241 7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.064 -2.514 6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.769 -2.053 7.336 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.105 -2.996 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.684 -3.198 10.093 1.00 0.00 H new ATOM 109 N GLN A 9 -0.991 1.641 7.366 1.00 0.00 N ATOM 110 CA GLN A 9 -0.201 2.560 8.180 1.00 0.00 C ATOM 111 C GLN A 9 -0.038 3.894 7.455 1.00 0.00 C ATOM 112 O GLN A 9 -0.308 4.003 6.259 1.00 0.00 O ATOM 113 CB GLN A 9 1.188 1.969 8.466 1.00 0.00 C ATOM 114 CG GLN A 9 1.221 1.376 9.880 1.00 0.00 C ATOM 115 CD GLN A 9 2.566 1.677 10.535 1.00 0.00 C ATOM 116 OE1 GLN A 9 2.627 1.998 11.722 1.00 0.00 O ATOM 117 NE2 GLN A 9 3.659 1.594 9.825 1.00 0.00 N ATOM 0 H GLN A 9 -1.280 2.015 6.462 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.724 2.717 9.123 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.423 1.197 7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.949 2.743 8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.412 1.795 10.479 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.060 0.299 9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.609 1.328 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.562 1.795 10.254 1.00 0.00 H new ATOM 126 N LEU A 10 0.408 4.905 8.193 1.00 0.00 N ATOM 127 CA LEU A 10 0.608 6.228 7.610 1.00 0.00 C ATOM 128 C LEU A 10 1.828 6.223 6.695 1.00 0.00 C ATOM 129 O LEU A 10 2.969 6.255 7.157 1.00 0.00 O ATOM 130 CB LEU A 10 0.812 7.273 8.708 1.00 0.00 C ATOM 131 CG LEU A 10 0.689 8.674 8.108 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.750 8.907 7.642 1.00 0.00 C ATOM 133 CD2 LEU A 10 1.054 9.716 9.168 1.00 0.00 C ATOM 0 H LEU A 10 0.636 4.836 9.185 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.281 6.481 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.071 7.137 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.793 7.147 9.167 1.00 0.00 H new ATOM 0 HG LEU A 10 1.366 8.765 7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.837 9.906 7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.013 8.165 6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.427 8.816 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.967 10.715 8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.377 9.624 10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.079 9.552 9.501 1.00 0.00 H new ATOM 145 N ILE A 11 1.573 6.181 5.390 1.00 0.00 N ATOM 146 CA ILE A 11 2.657 6.172 4.408 1.00 0.00 C ATOM 147 C ILE A 11 2.800 7.556 3.760 1.00 0.00 C ATOM 148 O ILE A 11 2.000 7.918 2.897 1.00 0.00 O ATOM 149 CB ILE A 11 2.375 5.139 3.313 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.061 3.784 3.952 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.604 5.003 2.412 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.473 2.844 2.899 1.00 0.00 C ATOM 0 H ILE A 11 0.635 6.153 4.989 1.00 0.00 H new ATOM 0 HA ILE A 11 3.581 5.913 4.925 1.00 0.00 H new ATOM 0 HB ILE A 11 1.521 5.466 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.968 3.351 4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.356 3.913 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.404 4.268 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.828 5.966 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.457 4.678 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.250 1.880 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.556 3.276 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.193 2.706 2.092 1.00 0.00 H new ATOM 164 N PRO A 12 3.812 8.353 4.154 1.00 0.00 N ATOM 165 CA PRO A 12 4.008 9.695 3.575 1.00 0.00 C ATOM 166 C PRO A 12 4.720 9.652 2.224 1.00 0.00 C ATOM 167 O PRO A 12 5.326 8.645 1.856 1.00 0.00 O ATOM 168 CB PRO A 12 4.876 10.381 4.622 1.00 0.00 C ATOM 169 CG PRO A 12 5.598 9.284 5.392 1.00 0.00 C ATOM 170 CD PRO A 12 4.812 7.985 5.185 1.00 0.00 C ATOM 0 HA PRO A 12 3.066 10.204 3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.591 11.054 4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.265 10.985 5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.622 9.174 5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.656 9.533 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.457 7.174 4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.336 7.652 6.107 1.00 0.00 H new ATOM 178 N ILE A 13 4.636 10.760 1.492 1.00 0.00 N ATOM 179 CA ILE A 13 5.272 10.846 0.180 1.00 0.00 C ATOM 180 C ILE A 13 6.787 10.665 0.308 1.00 0.00 C ATOM 181 O ILE A 13 7.376 10.949 1.351 1.00 0.00 O ATOM 182 CB ILE A 13 4.955 12.199 -0.476 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.534 12.222 -1.895 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.555 13.343 0.352 1.00 0.00 C ATOM 185 CD1 ILE A 13 5.133 13.521 -2.601 1.00 0.00 C ATOM 0 H ILE A 13 4.139 11.603 1.781 1.00 0.00 H new ATOM 0 HA ILE A 13 4.878 10.048 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 13 3.874 12.332 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.620 12.140 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.170 11.364 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.324 14.296 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.132 13.326 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.636 13.221 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.548 13.530 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.046 13.585 -2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.519 14.373 -2.042 1.00 0.00 H new ATOM 197 N ASN A 14 7.407 10.189 -0.771 1.00 0.00 N ATOM 198 CA ASN A 14 8.853 9.971 -0.778 1.00 0.00 C ATOM 199 C ASN A 14 9.248 8.963 0.299 1.00 0.00 C ATOM 200 O ASN A 14 10.293 9.091 0.939 1.00 0.00 O ATOM 201 CB ASN A 14 9.596 11.287 -0.533 1.00 0.00 C ATOM 202 CG ASN A 14 9.693 12.067 -1.840 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.788 12.012 -2.672 1.00 0.00 O ATOM 204 ND2 ASN A 14 10.748 12.799 -2.071 1.00 0.00 N ATOM 0 H ASN A 14 6.936 9.949 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 14 9.128 9.579 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.072 11.878 0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.593 11.087 -0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.823 13.326 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.498 12.845 -1.381 1.00 0.00 H new ATOM 211 N THR A 15 8.399 7.957 0.492 1.00 0.00 N ATOM 212 CA THR A 15 8.668 6.930 1.495 1.00 0.00 C ATOM 213 C THR A 15 8.531 5.539 0.883 1.00 0.00 C ATOM 214 O THR A 15 7.558 5.241 0.192 1.00 0.00 O ATOM 215 CB THR A 15 7.693 7.058 2.668 1.00 0.00 C ATOM 216 OG1 THR A 15 7.701 8.397 3.143 1.00 0.00 O ATOM 217 CG2 THR A 15 8.115 6.113 3.793 1.00 0.00 C ATOM 0 H THR A 15 7.529 7.831 -0.026 1.00 0.00 H new ATOM 0 HA THR A 15 9.687 7.070 1.855 1.00 0.00 H new ATOM 0 HB THR A 15 6.689 6.795 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.972 8.898 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.419 6.206 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.108 5.086 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.119 6.372 4.128 1.00 0.00 H new ATOM 225 N ALA A 16 9.520 4.689 1.150 1.00 0.00 N ATOM 226 CA ALA A 16 9.503 3.327 0.624 1.00 0.00 C ATOM 227 C ALA A 16 8.434 2.499 1.329 1.00 0.00 C ATOM 228 O ALA A 16 8.207 2.644 2.531 1.00 0.00 O ATOM 229 CB ALA A 16 10.864 2.658 0.823 1.00 0.00 C ATOM 0 H ALA A 16 10.334 4.916 1.721 1.00 0.00 H new ATOM 0 HA ALA A 16 9.279 3.380 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.833 1.644 0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.630 3.230 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.100 2.623 1.887 1.00 0.00 H new ATOM 235 N LEU A 17 7.777 1.630 0.567 1.00 0.00 N ATOM 236 CA LEU A 17 6.728 0.781 1.127 1.00 0.00 C ATOM 237 C LEU A 17 7.335 -0.448 1.795 1.00 0.00 C ATOM 238 O LEU A 17 8.497 -0.786 1.570 1.00 0.00 O ATOM 239 CB LEU A 17 5.765 0.327 0.029 1.00 0.00 C ATOM 240 CG LEU A 17 5.150 1.553 -0.650 1.00 0.00 C ATOM 241 CD1 LEU A 17 4.491 1.132 -1.965 1.00 0.00 C ATOM 242 CD2 LEU A 17 4.096 2.170 0.272 1.00 0.00 C ATOM 0 H LEU A 17 7.949 1.495 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 17 6.184 1.365 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.294 -0.281 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.980 -0.298 0.455 1.00 0.00 H new ATOM 0 HG LEU A 17 5.931 2.286 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.053 2.005 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.240 0.691 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.710 0.400 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.657 3.043 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.315 1.437 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.564 2.470 1.210 1.00 0.00 H new ATOM 254 N THR A 18 6.532 -1.113 2.621 1.00 0.00 N ATOM 255 CA THR A 18 6.993 -2.309 3.322 1.00 0.00 C ATOM 256 C THR A 18 5.825 -3.257 3.576 1.00 0.00 C ATOM 257 O THR A 18 4.674 -2.940 3.278 1.00 0.00 O ATOM 258 CB THR A 18 7.631 -1.934 4.662 1.00 0.00 C ATOM 259 OG1 THR A 18 6.673 -1.266 5.470 1.00 0.00 O ATOM 260 CG2 THR A 18 8.828 -1.014 4.419 1.00 0.00 C ATOM 0 H THR A 18 5.568 -0.848 2.821 1.00 0.00 H new ATOM 0 HA THR A 18 7.735 -2.803 2.694 1.00 0.00 H new ATOM 0 HB THR A 18 7.968 -2.837 5.170 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.563 -0.345 5.153 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.282 -0.747 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.562 -1.528 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.494 -0.109 3.911 1.00 0.00 H new ATOM 268 N LEU A 19 6.136 -4.425 4.133 1.00 0.00 N ATOM 269 CA LEU A 19 5.102 -5.415 4.426 1.00 0.00 C ATOM 270 C LEU A 19 4.125 -4.870 5.461 1.00 0.00 C ATOM 271 O LEU A 19 2.930 -5.167 5.427 1.00 0.00 O ATOM 272 CB LEU A 19 5.731 -6.702 4.963 1.00 0.00 C ATOM 273 CG LEU A 19 6.736 -7.242 3.945 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.863 -7.973 4.679 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.031 -8.217 2.999 1.00 0.00 C ATOM 0 H LEU A 19 7.082 -4.707 4.388 1.00 0.00 H new ATOM 0 HA LEU A 19 4.569 -5.631 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.229 -6.507 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.957 -7.445 5.155 1.00 0.00 H new ATOM 0 HG LEU A 19 7.151 -6.413 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.580 -8.358 3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.366 -7.281 5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.447 -8.801 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.747 -8.602 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.616 -9.045 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.227 -7.699 2.476 1.00 0.00 H new ATOM 287 N VAL A 20 4.648 -4.068 6.384 1.00 0.00 N ATOM 288 CA VAL A 20 3.816 -3.481 7.432 1.00 0.00 C ATOM 289 C VAL A 20 2.911 -2.395 6.853 1.00 0.00 C ATOM 290 O VAL A 20 1.813 -2.152 7.356 1.00 0.00 O ATOM 291 CB VAL A 20 4.689 -2.871 8.533 1.00 0.00 C ATOM 292 CG1 VAL A 20 3.806 -2.441 9.707 1.00 0.00 C ATOM 293 CG2 VAL A 20 5.703 -3.911 9.016 1.00 0.00 C ATOM 0 H VAL A 20 5.634 -3.811 6.429 1.00 0.00 H new ATOM 0 HA VAL A 20 3.202 -4.275 7.856 1.00 0.00 H new ATOM 0 HB VAL A 20 5.217 -2.003 8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.428 -2.007 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.083 -1.700 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.278 -3.309 10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.324 -3.477 9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.174 -4.779 9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.334 -4.219 8.182 1.00 0.00 H new ATOM 303 N MET A 21 3.384 -1.742 5.793 1.00 0.00 N ATOM 304 CA MET A 21 2.607 -0.680 5.157 1.00 0.00 C ATOM 305 C MET A 21 1.802 -1.217 3.971 1.00 0.00 C ATOM 306 O MET A 21 1.423 -0.463 3.074 1.00 0.00 O ATOM 307 CB MET A 21 3.534 0.430 4.665 1.00 0.00 C ATOM 308 CG MET A 21 4.228 1.078 5.864 1.00 0.00 C ATOM 309 SD MET A 21 5.888 1.625 5.389 1.00 0.00 S ATOM 310 CE MET A 21 5.385 2.791 4.100 1.00 0.00 C ATOM 0 H MET A 21 4.289 -1.926 5.361 1.00 0.00 H new ATOM 0 HA MET A 21 1.917 -0.285 5.902 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.275 0.022 3.978 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.964 1.177 4.113 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.643 1.926 6.220 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.291 0.367 6.688 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.271 3.227 3.638 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.802 2.267 3.343 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.779 3.582 4.541 1.00 0.00 H new ATOM 320 N MET A 22 1.538 -2.524 3.974 1.00 0.00 N ATOM 321 CA MET A 22 0.772 -3.136 2.891 1.00 0.00 C ATOM 322 C MET A 22 0.001 -4.346 3.408 1.00 0.00 C ATOM 323 O MET A 22 0.486 -5.094 4.256 1.00 0.00 O ATOM 324 CB MET A 22 1.700 -3.584 1.759 1.00 0.00 C ATOM 325 CG MET A 22 2.258 -2.353 1.041 1.00 0.00 C ATOM 326 SD MET A 22 2.570 -2.752 -0.698 1.00 0.00 S ATOM 327 CE MET A 22 3.667 -4.164 -0.421 1.00 0.00 C ATOM 0 H MET A 22 1.839 -3.170 4.704 1.00 0.00 H new ATOM 0 HA MET A 22 0.074 -2.391 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.516 -4.186 2.160 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.155 -4.213 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.552 -1.526 1.114 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.181 -2.027 1.521 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.378 -4.240 -1.244 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.209 -4.026 0.515 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.076 -5.078 -0.366 1.00 0.00 H new ATOM 337 N ARG A 23 -1.209 -4.530 2.886 1.00 0.00 N ATOM 338 CA ARG A 23 -2.042 -5.655 3.302 1.00 0.00 C ATOM 339 C ARG A 23 -3.117 -5.938 2.258 1.00 0.00 C ATOM 340 O ARG A 23 -3.230 -5.234 1.254 1.00 0.00 O ATOM 341 CB ARG A 23 -2.716 -5.356 4.643 1.00 0.00 C ATOM 342 CG ARG A 23 -3.490 -4.041 4.546 1.00 0.00 C ATOM 343 CD ARG A 23 -4.414 -3.902 5.757 1.00 0.00 C ATOM 344 NE ARG A 23 -5.504 -4.872 5.687 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.281 -5.106 6.741 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.280 -4.309 7.005 1.00 0.00 N ATOM 347 NH2 ARG A 23 -6.044 -6.133 7.510 1.00 0.00 N ATOM 0 H ARG A 23 -1.631 -3.923 2.183 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.398 -6.528 3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.392 -6.168 4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.967 -5.291 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.797 -3.201 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.073 -4.017 3.626 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.845 -4.052 6.674 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.821 -2.892 5.796 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.672 -5.377 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.465 -3.507 6.403 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.876 -4.488 7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.263 -6.756 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.639 -6.313 8.318 1.00 0.00 H new ATOM 361 N SER A 24 -3.907 -6.979 2.507 1.00 0.00 N ATOM 362 CA SER A 24 -4.975 -7.351 1.585 1.00 0.00 C ATOM 363 C SER A 24 -6.338 -7.087 2.217 1.00 0.00 C ATOM 364 O SER A 24 -6.562 -7.381 3.391 1.00 0.00 O ATOM 365 CB SER A 24 -4.874 -8.831 1.218 1.00 0.00 C ATOM 366 OG SER A 24 -3.531 -9.138 0.870 1.00 0.00 O ATOM 0 H SER A 24 -3.829 -7.575 3.331 1.00 0.00 H new ATOM 0 HA SER A 24 -4.868 -6.747 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.194 -9.448 2.057 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.539 -9.057 0.384 1.00 0.00 H new ATOM 0 HG SER A 24 -3.463 -10.087 0.636 1.00 0.00 H new ATOM 372 N GLU A 25 -7.246 -6.529 1.422 1.00 0.00 N ATOM 373 CA GLU A 25 -8.588 -6.227 1.912 1.00 0.00 C ATOM 374 C GLU A 25 -9.488 -5.787 0.762 1.00 0.00 C ATOM 375 O GLU A 25 -9.070 -5.037 -0.121 1.00 0.00 O ATOM 376 CB GLU A 25 -8.538 -5.113 2.959 1.00 0.00 C ATOM 377 CG GLU A 25 -9.808 -5.157 3.812 1.00 0.00 C ATOM 378 CD GLU A 25 -9.634 -6.175 4.933 1.00 0.00 C ATOM 379 OE1 GLU A 25 -9.875 -7.345 4.686 1.00 0.00 O ATOM 380 OE2 GLU A 25 -9.263 -5.770 6.022 1.00 0.00 O ATOM 0 H GLU A 25 -7.081 -6.279 0.447 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.992 -7.132 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.658 -5.233 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.449 -4.143 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.012 -4.171 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.665 -5.424 3.194 1.00 0.00 H new ATOM 387 N VAL A 26 -10.729 -6.263 0.783 1.00 0.00 N ATOM 388 CA VAL A 26 -11.686 -5.914 -0.264 1.00 0.00 C ATOM 389 C VAL A 26 -12.067 -4.440 -0.163 1.00 0.00 C ATOM 390 O VAL A 26 -12.536 -3.974 0.875 1.00 0.00 O ATOM 391 CB VAL A 26 -12.952 -6.767 -0.144 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.852 -6.524 -1.358 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.567 -8.247 -0.086 1.00 0.00 C ATOM 0 H VAL A 26 -11.094 -6.885 1.505 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.214 -6.104 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.487 -6.493 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.753 -7.132 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.128 -5.470 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.317 -6.796 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.468 -8.854 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.031 -8.519 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.928 -8.423 0.779 1.00 0.00 H new ATOM 403 N VAL A 27 -11.859 -3.711 -1.257 1.00 0.00 N ATOM 404 CA VAL A 27 -12.183 -2.287 -1.285 1.00 0.00 C ATOM 405 C VAL A 27 -12.532 -1.851 -2.704 1.00 0.00 C ATOM 406 O VAL A 27 -12.399 -2.619 -3.657 1.00 0.00 O ATOM 407 CB VAL A 27 -10.999 -1.458 -0.784 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.748 -1.766 0.693 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.750 -1.811 -1.595 1.00 0.00 C ATOM 0 H VAL A 27 -11.472 -4.078 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.040 -2.123 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.223 -0.398 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.904 -1.175 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.637 -1.516 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.524 -2.826 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.906 -1.221 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.527 -2.871 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.926 -1.593 -2.648 1.00 0.00 H new ATOM 419 N THR A 28 -12.981 -0.605 -2.834 1.00 0.00 N ATOM 420 CA THR A 28 -13.347 -0.071 -4.143 1.00 0.00 C ATOM 421 C THR A 28 -12.640 1.269 -4.390 1.00 0.00 C ATOM 422 O THR A 28 -12.438 2.043 -3.455 1.00 0.00 O ATOM 423 CB THR A 28 -14.861 0.140 -4.231 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.175 0.796 -5.450 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.326 0.998 -3.052 1.00 0.00 C ATOM 0 H THR A 28 -13.099 0.047 -2.059 1.00 0.00 H new ATOM 0 HA THR A 28 -13.037 -0.791 -4.900 1.00 0.00 H new ATOM 0 HB THR A 28 -15.367 -0.825 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.144 0.930 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.404 1.148 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.083 0.493 -2.117 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.822 1.964 -3.084 1.00 0.00 H new ATOM 433 N PRO A 29 -12.254 1.563 -5.645 1.00 0.00 N ATOM 434 CA PRO A 29 -12.468 0.674 -6.810 1.00 0.00 C ATOM 435 C PRO A 29 -11.408 -0.421 -6.912 1.00 0.00 C ATOM 436 O PRO A 29 -10.500 -0.506 -6.085 1.00 0.00 O ATOM 437 CB PRO A 29 -12.359 1.643 -7.980 1.00 0.00 C ATOM 438 CG PRO A 29 -11.531 2.830 -7.501 1.00 0.00 C ATOM 439 CD PRO A 29 -11.569 2.828 -5.968 1.00 0.00 C ATOM 0 HA PRO A 29 -13.414 0.134 -6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.885 1.162 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.347 1.968 -8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.505 2.751 -7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.935 3.763 -7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.567 2.863 -5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.111 3.690 -5.578 1.00 0.00 H new ATOM 447 N VAL A 30 -11.536 -1.259 -7.937 1.00 0.00 N ATOM 448 CA VAL A 30 -10.584 -2.348 -8.141 1.00 0.00 C ATOM 449 C VAL A 30 -9.236 -1.797 -8.593 1.00 0.00 C ATOM 450 O VAL A 30 -9.054 -1.436 -9.756 1.00 0.00 O ATOM 451 CB VAL A 30 -11.104 -3.328 -9.197 1.00 0.00 C ATOM 452 CG1 VAL A 30 -10.191 -4.554 -9.252 1.00 0.00 C ATOM 453 CG2 VAL A 30 -12.524 -3.768 -8.830 1.00 0.00 C ATOM 0 H VAL A 30 -12.280 -1.207 -8.632 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.464 -2.871 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.114 -2.838 -10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.562 -5.251 -10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.180 -4.243 -9.513 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.180 -5.043 -8.278 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.894 -4.465 -9.581 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.513 -4.256 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.177 -2.896 -8.792 1.00 0.00 H new ATOM 463 N GLY A 31 -8.292 -1.735 -7.658 1.00 0.00 N ATOM 464 CA GLY A 31 -6.958 -1.227 -7.967 1.00 0.00 C ATOM 465 C GLY A 31 -5.969 -2.374 -8.135 1.00 0.00 C ATOM 466 O GLY A 31 -6.233 -3.343 -8.846 1.00 0.00 O ATOM 0 H GLY A 31 -8.423 -2.027 -6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.992 -0.633 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.622 -0.565 -7.169 1.00 0.00 H new ATOM 470 N ILE A 32 -4.823 -2.255 -7.469 1.00 0.00 N ATOM 471 CA ILE A 32 -3.796 -3.290 -7.548 1.00 0.00 C ATOM 472 C ILE A 32 -4.231 -4.527 -6.748 1.00 0.00 C ATOM 473 O ILE A 32 -4.796 -4.392 -5.663 1.00 0.00 O ATOM 474 CB ILE A 32 -2.469 -2.769 -6.988 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.100 -1.459 -7.692 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.367 -3.802 -7.228 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.903 -0.810 -6.988 1.00 0.00 C ATOM 0 H ILE A 32 -4.584 -1.461 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.662 -3.561 -8.595 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.573 -2.594 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.858 -1.653 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.951 -0.778 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.424 -3.428 -6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.628 -4.735 -6.729 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.262 -3.980 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.645 0.121 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.161 -0.601 -5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.050 -1.488 -7.020 1.00 0.00 H new ATOM 489 N PRO A 33 -3.983 -5.747 -7.263 1.00 0.00 N ATOM 490 CA PRO A 33 -4.376 -6.979 -6.555 1.00 0.00 C ATOM 491 C PRO A 33 -3.365 -7.401 -5.490 1.00 0.00 C ATOM 492 O PRO A 33 -2.261 -6.864 -5.412 1.00 0.00 O ATOM 493 CB PRO A 33 -4.425 -8.000 -7.686 1.00 0.00 C ATOM 494 CG PRO A 33 -3.517 -7.485 -8.796 1.00 0.00 C ATOM 495 CD PRO A 33 -3.310 -5.985 -8.562 1.00 0.00 C ATOM 0 HA PRO A 33 -5.311 -6.864 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.091 -8.977 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.445 -8.123 -8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.562 -8.010 -8.785 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.967 -7.662 -9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.252 -5.727 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.753 -5.388 -9.360 1.00 0.00 H new ATOM 503 N ALA A 34 -3.762 -8.373 -4.672 1.00 0.00 N ATOM 504 CA ALA A 34 -2.892 -8.873 -3.610 1.00 0.00 C ATOM 505 C ALA A 34 -1.680 -9.599 -4.194 1.00 0.00 C ATOM 506 O ALA A 34 -0.634 -9.700 -3.555 1.00 0.00 O ATOM 507 CB ALA A 34 -3.660 -9.837 -2.703 1.00 0.00 C ATOM 0 H ALA A 34 -4.674 -8.827 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.550 -8.016 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.999 -10.201 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.506 -9.318 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.022 -10.680 -3.292 1.00 0.00 H new ATOM 513 N GLU A 35 -1.830 -10.111 -5.413 1.00 0.00 N ATOM 514 CA GLU A 35 -0.737 -10.828 -6.064 1.00 0.00 C ATOM 515 C GLU A 35 0.498 -9.937 -6.224 1.00 0.00 C ATOM 516 O GLU A 35 1.607 -10.434 -6.426 1.00 0.00 O ATOM 517 CB GLU A 35 -1.173 -11.320 -7.445 1.00 0.00 C ATOM 518 CG GLU A 35 -2.084 -12.539 -7.289 1.00 0.00 C ATOM 519 CD GLU A 35 -2.234 -13.238 -8.636 1.00 0.00 C ATOM 520 OE1 GLU A 35 -3.088 -12.827 -9.404 1.00 0.00 O ATOM 521 OE2 GLU A 35 -1.492 -14.176 -8.880 1.00 0.00 O ATOM 0 H GLU A 35 -2.686 -10.044 -5.964 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.481 -11.676 -5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.698 -10.526 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.299 -11.580 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.665 -13.227 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.061 -12.231 -6.916 1.00 0.00 H new ATOM 528 N ASP A 36 0.305 -8.619 -6.146 1.00 0.00 N ATOM 529 CA ASP A 36 1.425 -7.692 -6.302 1.00 0.00 C ATOM 530 C ASP A 36 1.824 -7.069 -4.967 1.00 0.00 C ATOM 531 O ASP A 36 2.229 -5.908 -4.903 1.00 0.00 O ATOM 532 CB ASP A 36 1.062 -6.579 -7.286 1.00 0.00 C ATOM 533 CG ASP A 36 0.729 -7.189 -8.644 1.00 0.00 C ATOM 534 OD1 ASP A 36 1.637 -7.698 -9.281 1.00 0.00 O ATOM 535 OD2 ASP A 36 -0.427 -7.138 -9.026 1.00 0.00 O ATOM 0 H ASP A 36 -0.599 -8.177 -5.979 1.00 0.00 H new ATOM 0 HA ASP A 36 2.270 -8.264 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.210 -6.012 -6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.893 -5.880 -7.383 1.00 0.00 H new ATOM 540 N ILE A 37 1.727 -7.858 -3.903 1.00 0.00 N ATOM 541 CA ILE A 37 2.103 -7.380 -2.575 1.00 0.00 C ATOM 542 C ILE A 37 3.634 -7.457 -2.384 1.00 0.00 C ATOM 543 O ILE A 37 4.240 -6.493 -1.915 1.00 0.00 O ATOM 544 CB ILE A 37 1.376 -8.194 -1.485 1.00 0.00 C ATOM 545 CG1 ILE A 37 -0.116 -7.863 -1.534 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.910 -7.842 -0.088 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.916 -9.011 -0.918 1.00 0.00 C ATOM 0 H ILE A 37 1.395 -8.822 -3.931 1.00 0.00 H new ATOM 0 HA ILE A 37 1.801 -6.337 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 37 1.547 -9.254 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.312 -6.938 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.429 -7.700 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.381 -8.429 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.976 -8.066 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.753 -6.781 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.979 -8.774 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.730 -9.927 -1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.610 -9.152 0.119 1.00 0.00 H new ATOM 559 N PRO A 38 4.289 -8.582 -2.740 1.00 0.00 N ATOM 560 CA PRO A 38 5.752 -8.698 -2.579 1.00 0.00 C ATOM 561 C PRO A 38 6.522 -7.953 -3.669 1.00 0.00 C ATOM 562 O PRO A 38 7.670 -7.554 -3.476 1.00 0.00 O ATOM 563 CB PRO A 38 5.980 -10.201 -2.676 1.00 0.00 C ATOM 564 CG PRO A 38 4.803 -10.780 -3.447 1.00 0.00 C ATOM 565 CD PRO A 38 3.644 -9.787 -3.316 1.00 0.00 C ATOM 0 HA PRO A 38 6.107 -8.256 -1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.919 -10.417 -3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.047 -10.646 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.065 -10.929 -4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.522 -11.754 -3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.185 -9.575 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.857 -10.171 -2.667 1.00 0.00 H new ATOM 573 N ARG A 39 5.872 -7.765 -4.815 1.00 0.00 N ATOM 574 CA ARG A 39 6.499 -7.057 -5.929 1.00 0.00 C ATOM 575 C ARG A 39 6.465 -5.543 -5.702 1.00 0.00 C ATOM 576 O ARG A 39 7.238 -4.799 -6.306 1.00 0.00 O ATOM 577 CB ARG A 39 5.778 -7.378 -7.239 1.00 0.00 C ATOM 578 CG ARG A 39 6.015 -8.844 -7.608 1.00 0.00 C ATOM 579 CD ARG A 39 4.940 -9.303 -8.593 1.00 0.00 C ATOM 580 NE ARG A 39 5.472 -10.314 -9.503 1.00 0.00 N ATOM 581 CZ ARG A 39 4.731 -10.798 -10.497 1.00 0.00 C ATOM 582 NH1 ARG A 39 4.638 -10.139 -11.620 1.00 0.00 N ATOM 583 NH2 ARG A 39 4.100 -11.930 -10.349 1.00 0.00 N ATOM 0 H ARG A 39 4.922 -8.089 -4.996 1.00 0.00 H new ATOM 0 HA ARG A 39 7.536 -7.388 -5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.710 -7.187 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.142 -6.728 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.004 -8.963 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.991 -9.464 -6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.089 -9.710 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.574 -8.449 -9.164 1.00 0.00 H new ATOM 0 HE ARG A 39 6.425 -10.654 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.133 -9.254 -11.735 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.071 -10.509 -12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.174 -12.444 -9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.532 -12.301 -11.111 1.00 0.00 H new ATOM 597 N LEU A 40 5.560 -5.091 -4.830 1.00 0.00 N ATOM 598 CA LEU A 40 5.438 -3.664 -4.542 1.00 0.00 C ATOM 599 C LEU A 40 6.206 -3.299 -3.270 1.00 0.00 C ATOM 600 O LEU A 40 5.835 -2.372 -2.550 1.00 0.00 O ATOM 601 CB LEU A 40 3.961 -3.282 -4.369 1.00 0.00 C ATOM 602 CG LEU A 40 3.417 -2.694 -5.674 1.00 0.00 C ATOM 603 CD1 LEU A 40 3.471 -3.750 -6.783 1.00 0.00 C ATOM 604 CD2 LEU A 40 1.967 -2.253 -5.461 1.00 0.00 C ATOM 0 H LEU A 40 4.909 -5.686 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 40 5.861 -3.113 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.380 -4.160 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.856 -2.557 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 40 4.025 -1.837 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.083 -3.326 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.503 -4.067 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.866 -4.610 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.575 -1.833 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.364 -3.113 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.928 -1.498 -4.676 1.00 0.00 H new ATOM 616 N VAL A 41 7.281 -4.033 -3.003 1.00 0.00 N ATOM 617 CA VAL A 41 8.091 -3.769 -1.818 1.00 0.00 C ATOM 618 C VAL A 41 9.167 -2.735 -2.134 1.00 0.00 C ATOM 619 O VAL A 41 9.824 -2.797 -3.174 1.00 0.00 O ATOM 620 CB VAL A 41 8.758 -5.057 -1.324 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.464 -4.792 0.009 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.694 -6.138 -1.124 1.00 0.00 C ATOM 0 H VAL A 41 7.609 -4.806 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 41 7.435 -3.384 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 41 9.487 -5.391 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.938 -5.709 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.223 -4.021 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.735 -4.456 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.168 -7.054 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.966 -5.800 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.189 -6.331 -2.070 1.00 0.00 H new ATOM 632 N SER A 42 9.338 -1.780 -1.224 1.00 0.00 N ATOM 633 CA SER A 42 10.335 -0.727 -1.407 1.00 0.00 C ATOM 634 C SER A 42 10.020 0.099 -2.652 1.00 0.00 C ATOM 635 O SER A 42 10.921 0.578 -3.341 1.00 0.00 O ATOM 636 CB SER A 42 11.735 -1.329 -1.546 1.00 0.00 C ATOM 637 OG SER A 42 11.823 -2.505 -0.752 1.00 0.00 O ATOM 0 H SER A 42 8.804 -1.712 -0.358 1.00 0.00 H new ATOM 0 HA SER A 42 10.305 -0.083 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.939 -1.566 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.487 -0.606 -1.230 1.00 0.00 H new ATOM 0 HG SER A 42 12.718 -2.893 -0.841 1.00 0.00 H new ATOM 643 N MET A 43 8.729 0.262 -2.930 1.00 0.00 N ATOM 644 CA MET A 43 8.304 1.035 -4.094 1.00 0.00 C ATOM 645 C MET A 43 7.941 2.458 -3.680 1.00 0.00 C ATOM 646 O MET A 43 7.038 2.674 -2.871 1.00 0.00 O ATOM 647 CB MET A 43 7.090 0.385 -4.761 1.00 0.00 C ATOM 648 CG MET A 43 7.554 -0.771 -5.648 1.00 0.00 C ATOM 649 SD MET A 43 6.354 -1.031 -6.979 1.00 0.00 S ATOM 650 CE MET A 43 7.130 0.053 -8.202 1.00 0.00 C ATOM 0 H MET A 43 7.967 -0.125 -2.373 1.00 0.00 H new ATOM 0 HA MET A 43 9.133 1.059 -4.802 1.00 0.00 H new ATOM 0 HB2 MET A 43 6.397 0.020 -4.003 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.551 1.122 -5.357 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.536 -0.550 -6.067 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.658 -1.680 -5.055 1.00 0.00 H new ATOM 0 HE1 MET A 43 6.663 -0.103 -9.175 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.002 1.093 -7.900 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.193 -0.177 -8.269 1.00 0.00 H new ATOM 660 N GLN A 44 8.655 3.427 -4.246 1.00 0.00 N ATOM 661 CA GLN A 44 8.402 4.830 -3.931 1.00 0.00 C ATOM 662 C GLN A 44 7.198 5.343 -4.713 1.00 0.00 C ATOM 663 O GLN A 44 7.028 5.035 -5.894 1.00 0.00 O ATOM 664 CB GLN A 44 9.622 5.686 -4.275 1.00 0.00 C ATOM 665 CG GLN A 44 10.650 5.588 -3.146 1.00 0.00 C ATOM 666 CD GLN A 44 11.851 6.469 -3.472 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.705 7.670 -3.698 1.00 0.00 O ATOM 668 NE2 GLN A 44 13.043 5.938 -3.511 1.00 0.00 N ATOM 0 H GLN A 44 9.406 3.270 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 44 8.199 4.903 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.063 5.349 -5.213 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.322 6.724 -4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.201 5.901 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.969 4.553 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.164 4.943 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.853 6.518 -3.729 1.00 0.00 H new ATOM 677 N VAL A 45 6.362 6.129 -4.041 1.00 0.00 N ATOM 678 CA VAL A 45 5.172 6.683 -4.678 1.00 0.00 C ATOM 679 C VAL A 45 5.414 8.133 -5.091 1.00 0.00 C ATOM 680 O VAL A 45 6.501 8.675 -4.893 1.00 0.00 O ATOM 681 CB VAL A 45 3.981 6.630 -3.718 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.618 5.171 -3.437 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.356 7.324 -2.406 1.00 0.00 C ATOM 0 H VAL A 45 6.485 6.395 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 45 4.953 6.086 -5.563 1.00 0.00 H new ATOM 0 HB VAL A 45 3.127 7.136 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.770 5.132 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.354 4.675 -4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.471 4.664 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.509 7.288 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.209 6.816 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.617 8.363 -2.606 1.00 0.00 H new ATOM 693 N ASN A 46 4.388 8.752 -5.669 1.00 0.00 N ATOM 694 CA ASN A 46 4.500 10.141 -6.108 1.00 0.00 C ATOM 695 C ASN A 46 3.651 11.063 -5.232 1.00 0.00 C ATOM 696 O ASN A 46 3.935 12.255 -5.111 1.00 0.00 O ATOM 697 CB ASN A 46 4.055 10.289 -7.567 1.00 0.00 C ATOM 698 CG ASN A 46 2.688 9.640 -7.763 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.767 9.865 -6.979 1.00 0.00 O ATOM 700 ND2 ASN A 46 2.499 8.842 -8.778 1.00 0.00 N ATOM 0 H ASN A 46 3.480 8.321 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 46 5.548 10.426 -6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.008 11.344 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.786 9.824 -8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.588 8.405 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.262 8.655 -9.429 1.00 0.00 H new ATOM 707 N ARG A 47 2.607 10.505 -4.619 1.00 0.00 N ATOM 708 CA ARG A 47 1.733 11.298 -3.759 1.00 0.00 C ATOM 709 C ARG A 47 1.562 10.623 -2.401 1.00 0.00 C ATOM 710 O ARG A 47 1.990 9.487 -2.197 1.00 0.00 O ATOM 711 CB ARG A 47 0.357 11.479 -4.407 1.00 0.00 C ATOM 712 CG ARG A 47 -0.259 10.111 -4.713 1.00 0.00 C ATOM 713 CD ARG A 47 -1.453 10.285 -5.652 1.00 0.00 C ATOM 714 NE ARG A 47 -2.608 10.806 -4.926 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.446 11.665 -5.500 1.00 0.00 C ATOM 716 NH1 ARG A 47 -2.979 12.683 -6.171 1.00 0.00 N ATOM 717 NH2 ARG A 47 -4.735 11.491 -5.392 1.00 0.00 N ATOM 0 H ARG A 47 2.349 9.521 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 47 2.197 12.275 -3.621 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.297 12.041 -3.741 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.451 12.059 -5.325 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.485 9.460 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.578 9.629 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.189 10.965 -6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.705 9.328 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.775 10.507 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.972 12.820 -6.255 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.621 13.342 -6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.100 10.696 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.377 12.150 -5.832 1.00 0.00 H new ATOM 731 N ALA A 48 0.929 11.338 -1.476 1.00 0.00 N ATOM 732 CA ALA A 48 0.702 10.803 -0.136 1.00 0.00 C ATOM 733 C ALA A 48 -0.318 9.669 -0.182 1.00 0.00 C ATOM 734 O ALA A 48 -1.267 9.700 -0.965 1.00 0.00 O ATOM 735 CB ALA A 48 0.189 11.898 0.800 1.00 0.00 C ATOM 0 H ALA A 48 0.567 12.280 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 48 1.652 10.423 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.026 11.480 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.925 12.700 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.750 12.296 0.415 1.00 0.00 H new ATOM 741 N VAL A 49 -0.109 8.668 0.667 1.00 0.00 N ATOM 742 CA VAL A 49 -1.015 7.524 0.720 1.00 0.00 C ATOM 743 C VAL A 49 -1.283 7.125 2.176 1.00 0.00 C ATOM 744 O VAL A 49 -0.533 6.336 2.751 1.00 0.00 O ATOM 745 CB VAL A 49 -0.412 6.327 -0.022 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.450 5.209 -0.120 1.00 0.00 C ATOM 747 CG2 VAL A 49 0.005 6.756 -1.431 1.00 0.00 C ATOM 0 H VAL A 49 0.672 8.624 1.322 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.951 7.812 0.242 1.00 0.00 H new ATOM 0 HB VAL A 49 0.460 5.967 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.020 4.358 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.749 4.901 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.323 5.570 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.434 5.904 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.868 7.117 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.746 7.552 -1.364 1.00 0.00 H new ATOM 757 N PRO A 50 -2.351 7.656 2.796 1.00 0.00 N ATOM 758 CA PRO A 50 -2.678 7.323 4.196 1.00 0.00 C ATOM 759 C PRO A 50 -3.370 5.969 4.333 1.00 0.00 C ATOM 760 O PRO A 50 -3.590 5.264 3.348 1.00 0.00 O ATOM 761 CB PRO A 50 -3.615 8.458 4.592 1.00 0.00 C ATOM 762 CG PRO A 50 -4.225 9.004 3.308 1.00 0.00 C ATOM 763 CD PRO A 50 -3.294 8.608 2.158 1.00 0.00 C ATOM 0 HA PRO A 50 -1.791 7.236 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.393 8.098 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.071 9.239 5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.223 8.595 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.329 10.088 3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.842 8.143 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.775 9.473 1.745 1.00 0.00 H new ATOM 771 N LEU A 51 -3.705 5.613 5.570 1.00 0.00 N ATOM 772 CA LEU A 51 -4.367 4.339 5.836 1.00 0.00 C ATOM 773 C LEU A 51 -5.711 4.269 5.115 1.00 0.00 C ATOM 774 O LEU A 51 -6.338 5.292 4.839 1.00 0.00 O ATOM 775 CB LEU A 51 -4.595 4.158 7.338 1.00 0.00 C ATOM 776 CG LEU A 51 -3.257 3.884 8.027 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.608 5.211 8.426 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.495 3.037 9.278 1.00 0.00 C ATOM 0 H LEU A 51 -3.531 6.183 6.398 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.720 3.543 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.056 5.052 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.284 3.332 7.515 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.598 3.348 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.655 5.017 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.441 5.817 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.266 5.747 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.543 2.840 9.771 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.153 3.574 9.961 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.959 2.092 8.995 1.00 0.00 H new ATOM 790 N GLY A 52 -6.143 3.046 4.816 1.00 0.00 N ATOM 791 CA GLY A 52 -7.415 2.844 4.127 1.00 0.00 C ATOM 792 C GLY A 52 -7.394 3.499 2.750 1.00 0.00 C ATOM 793 O GLY A 52 -8.275 4.290 2.410 1.00 0.00 O ATOM 0 H GLY A 52 -5.637 2.188 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.613 1.777 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.227 3.263 4.722 1.00 0.00 H new ATOM 797 N THR A 53 -6.378 3.160 1.962 1.00 0.00 N ATOM 798 CA THR A 53 -6.249 3.721 0.620 1.00 0.00 C ATOM 799 C THR A 53 -5.892 2.627 -0.380 1.00 0.00 C ATOM 800 O THR A 53 -4.839 1.997 -0.284 1.00 0.00 O ATOM 801 CB THR A 53 -5.161 4.798 0.591 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.401 5.735 1.632 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.184 5.514 -0.760 1.00 0.00 C ATOM 0 H THR A 53 -5.640 2.507 2.225 1.00 0.00 H new ATOM 0 HA THR A 53 -7.206 4.166 0.347 1.00 0.00 H new ATOM 0 HB THR A 53 -4.185 4.335 0.735 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.568 5.902 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.409 6.280 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.001 4.793 -1.557 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.158 5.980 -0.908 1.00 0.00 H new ATOM 811 N THR A 54 -6.783 2.409 -1.342 1.00 0.00 N ATOM 812 CA THR A 54 -6.556 1.388 -2.360 1.00 0.00 C ATOM 813 C THR A 54 -5.323 1.728 -3.191 1.00 0.00 C ATOM 814 O THR A 54 -5.358 2.611 -4.048 1.00 0.00 O ATOM 815 CB THR A 54 -7.767 1.278 -3.288 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.958 1.289 -2.513 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.687 -0.026 -4.084 1.00 0.00 C ATOM 0 H THR A 54 -7.661 2.920 -1.439 1.00 0.00 H new ATOM 0 HA THR A 54 -6.401 0.436 -1.852 1.00 0.00 H new ATOM 0 HB THR A 54 -7.773 2.122 -3.978 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.735 1.220 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.551 -0.103 -4.745 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.774 -0.034 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.680 -0.872 -3.397 1.00 0.00 H new ATOM 825 N LEU A 55 -4.231 1.016 -2.926 1.00 0.00 N ATOM 826 CA LEU A 55 -2.985 1.246 -3.654 1.00 0.00 C ATOM 827 C LEU A 55 -3.183 0.988 -5.144 1.00 0.00 C ATOM 828 O LEU A 55 -3.439 -0.140 -5.566 1.00 0.00 O ATOM 829 CB LEU A 55 -1.881 0.324 -3.131 1.00 0.00 C ATOM 830 CG LEU A 55 -0.516 0.959 -3.400 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.271 2.086 -2.396 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.576 -0.101 -3.251 1.00 0.00 C ATOM 0 H LEU A 55 -4.182 0.282 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.693 2.285 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.011 0.154 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.944 -0.649 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.496 1.363 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.702 2.539 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.050 2.842 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.290 1.682 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.550 0.350 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.556 -0.504 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.402 -0.905 -3.966 1.00 0.00 H new ATOM 844 N MET A 56 -3.061 2.048 -5.936 1.00 0.00 N ATOM 845 CA MET A 56 -3.228 1.931 -7.381 1.00 0.00 C ATOM 846 C MET A 56 -1.861 1.868 -8.071 1.00 0.00 C ATOM 847 O MET A 56 -0.844 2.208 -7.469 1.00 0.00 O ATOM 848 CB MET A 56 -4.006 3.129 -7.930 1.00 0.00 C ATOM 849 CG MET A 56 -5.503 2.816 -7.911 1.00 0.00 C ATOM 850 SD MET A 56 -6.425 4.243 -8.536 1.00 0.00 S ATOM 851 CE MET A 56 -8.068 3.705 -8.002 1.00 0.00 C ATOM 0 H MET A 56 -2.849 2.990 -5.606 1.00 0.00 H new ATOM 0 HA MET A 56 -3.783 1.015 -7.583 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.801 4.015 -7.330 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.683 3.351 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.710 1.939 -8.524 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.823 2.579 -6.896 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.812 4.435 -8.322 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.296 2.736 -8.446 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.088 3.620 -6.916 1.00 0.00 H new ATOM 861 N PRO A 57 -1.814 1.432 -9.342 1.00 0.00 N ATOM 862 CA PRO A 57 -0.543 1.340 -10.084 1.00 0.00 C ATOM 863 C PRO A 57 -0.082 2.688 -10.636 1.00 0.00 C ATOM 864 O PRO A 57 1.108 2.905 -10.867 1.00 0.00 O ATOM 865 CB PRO A 57 -0.892 0.379 -11.214 1.00 0.00 C ATOM 866 CG PRO A 57 -2.402 0.448 -11.409 1.00 0.00 C ATOM 867 CD PRO A 57 -3.005 1.010 -10.117 1.00 0.00 C ATOM 0 HA PRO A 57 0.284 1.011 -9.455 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.372 0.657 -12.131 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.581 -0.636 -10.966 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.651 1.085 -12.258 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.807 -0.541 -11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.673 1.848 -10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.586 0.258 -9.584 1.00 0.00 H new ATOM 875 N ASP A 58 -1.037 3.592 -10.843 1.00 0.00 N ATOM 876 CA ASP A 58 -0.716 4.917 -11.366 1.00 0.00 C ATOM 877 C ASP A 58 -0.041 5.765 -10.292 1.00 0.00 C ATOM 878 O ASP A 58 0.806 6.609 -10.587 1.00 0.00 O ATOM 879 CB ASP A 58 -1.985 5.630 -11.838 1.00 0.00 C ATOM 880 CG ASP A 58 -3.009 5.645 -10.709 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.806 6.386 -9.761 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.982 4.916 -10.808 1.00 0.00 O ATOM 0 H ASP A 58 -2.028 3.434 -10.659 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.037 4.789 -12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.750 6.650 -12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.397 5.123 -12.710 1.00 0.00 H new ATOM 887 N MET A 59 -0.427 5.531 -9.041 1.00 0.00 N ATOM 888 CA MET A 59 0.145 6.278 -7.923 1.00 0.00 C ATOM 889 C MET A 59 1.587 5.846 -7.676 1.00 0.00 C ATOM 890 O MET A 59 2.451 6.666 -7.366 1.00 0.00 O ATOM 891 CB MET A 59 -0.673 6.047 -6.651 1.00 0.00 C ATOM 892 CG MET A 59 -2.107 6.533 -6.871 1.00 0.00 C ATOM 893 SD MET A 59 -2.833 7.006 -5.282 1.00 0.00 S ATOM 894 CE MET A 59 -3.165 5.333 -4.677 1.00 0.00 C ATOM 0 H MET A 59 -1.126 4.837 -8.776 1.00 0.00 H new ATOM 0 HA MET A 59 0.124 7.337 -8.179 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.672 4.988 -6.393 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.222 6.580 -5.814 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.114 7.383 -7.554 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.702 5.746 -7.335 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.473 5.378 -3.632 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.961 4.883 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.262 4.729 -4.763 1.00 0.00 H new ATOM 904 N VAL A 60 1.836 4.547 -7.816 1.00 0.00 N ATOM 905 CA VAL A 60 3.178 4.011 -7.606 1.00 0.00 C ATOM 906 C VAL A 60 4.041 4.244 -8.845 1.00 0.00 C ATOM 907 O VAL A 60 3.865 3.593 -9.874 1.00 0.00 O ATOM 908 CB VAL A 60 3.111 2.509 -7.310 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.506 1.984 -6.954 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.163 2.268 -6.132 1.00 0.00 C ATOM 0 H VAL A 60 1.134 3.852 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 60 3.623 4.526 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 60 2.745 1.985 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.450 0.916 -6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.184 2.155 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.878 2.507 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.112 1.200 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.532 2.797 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.168 2.635 -6.385 1.00 0.00 H new ATOM 920 N LYS A 61 4.977 5.182 -8.729 1.00 0.00 N ATOM 921 CA LYS A 61 5.869 5.500 -9.842 1.00 0.00 C ATOM 922 C LYS A 61 6.778 4.315 -10.150 1.00 0.00 C ATOM 923 O LYS A 61 7.485 3.812 -9.277 1.00 0.00 O ATOM 924 CB LYS A 61 6.732 6.716 -9.506 1.00 0.00 C ATOM 925 CG LYS A 61 5.998 7.993 -9.920 1.00 0.00 C ATOM 926 CD LYS A 61 6.952 9.186 -9.820 1.00 0.00 C ATOM 927 CE LYS A 61 6.460 10.310 -10.733 1.00 0.00 C ATOM 928 NZ LYS A 61 6.827 10.000 -12.145 1.00 0.00 N ATOM 0 H LYS A 61 5.138 5.731 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 61 5.254 5.723 -10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.948 6.738 -8.438 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.689 6.650 -10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.625 7.896 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.132 8.152 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.005 9.537 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.960 8.885 -10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.379 10.420 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.903 11.259 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.728 10.857 -12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.812 9.668 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.198 9.258 -12.512 1.00 0.00 H new ATOM 942 N GLY A 62 6.750 3.874 -11.405 1.00 0.00 N ATOM 943 CA GLY A 62 7.573 2.743 -11.824 1.00 0.00 C ATOM 944 C GLY A 62 6.719 1.494 -12.010 1.00 0.00 C ATOM 945 O GLY A 62 7.028 0.629 -12.830 1.00 0.00 O ATOM 0 H GLY A 62 6.173 4.278 -12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.082 2.984 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.346 2.553 -11.079 1.00 0.00 H new ATOM 949 N TYR A 63 5.636 1.410 -11.240 1.00 0.00 N ATOM 950 CA TYR A 63 4.738 0.263 -11.325 1.00 0.00 C ATOM 951 C TYR A 63 3.686 0.492 -12.407 1.00 0.00 C ATOM 952 O TYR A 63 3.007 1.519 -12.426 1.00 0.00 O ATOM 953 CB TYR A 63 4.037 0.034 -9.985 1.00 0.00 C ATOM 954 CG TYR A 63 3.291 -1.278 -10.024 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.979 -2.496 -9.782 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.898 -1.292 -10.306 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.275 -3.730 -9.822 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.194 -2.525 -10.346 1.00 0.00 C ATOM 959 CZ TYR A 63 1.882 -3.744 -10.103 1.00 0.00 C ATOM 960 OH TYR A 63 1.198 -4.941 -10.143 1.00 0.00 O ATOM 0 H TYR A 63 5.362 2.116 -10.557 1.00 0.00 H new ATOM 0 HA TYR A 63 5.332 -0.615 -11.577 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.768 0.025 -9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.346 0.851 -9.780 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.037 -2.485 -9.567 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.375 -0.365 -10.490 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.798 -4.657 -9.639 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.136 -2.536 -10.561 1.00 0.00 H new ATOM 0 HH TYR A 63 0.254 -4.772 -10.347 1.00 0.00 H new ATOM 970 N ALA A 64 3.560 -0.479 -13.306 1.00 0.00 N ATOM 971 CA ALA A 64 2.587 -0.378 -14.391 1.00 0.00 C ATOM 972 C ALA A 64 2.308 -1.755 -14.985 1.00 0.00 C ATOM 973 O ALA A 64 3.089 -2.275 -15.782 1.00 0.00 O ATOM 974 CB ALA A 64 3.107 0.544 -15.495 1.00 0.00 C ATOM 0 H ALA A 64 4.112 -1.337 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 64 1.666 0.035 -13.979 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.369 0.607 -16.294 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.284 1.539 -15.085 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.040 0.145 -15.893 1.00 0.00 H new ATOM 980 N ALA A 65 1.181 -2.341 -14.586 1.00 0.00 N ATOM 981 CA ALA A 65 0.798 -3.663 -15.082 1.00 0.00 C ATOM 982 C ALA A 65 1.851 -4.700 -14.704 1.00 0.00 C ATOM 983 O ALA A 65 2.866 -4.758 -15.379 1.00 0.00 O ATOM 984 CB ALA A 65 0.642 -3.642 -16.605 1.00 0.00 C ATOM 0 H ALA A 65 0.522 -1.927 -13.927 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.155 -3.929 -14.625 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.357 -4.634 -16.955 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.130 -2.924 -16.882 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.588 -3.353 -17.064 1.00 0.00 H new TER 990 ALA A 65