USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= -0.914 USER MOD Set 1.2: A 21 MET CE :methyl 165:sc= 0 (180deg=-0.0595) USER MOD Single : A 4 SER OG : rot -59:sc= 0.757 USER MOD Single : A 8 ASN : amide:sc= -1.05 K(o=-1,f=-2.8!) USER MOD Single : A 9 GLN : amide:sc= -0.682 K(o=-0.68,f=-1.9!) USER MOD Single : A 14 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 15 THR OG1 : rot 92:sc= -0.841 USER MOD Single : A 22 MET CE :methyl -119:sc= -3.41! (180deg=-4.66!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 42 SER OG : rot -60:sc= 1.07 USER MOD Single : A 43 MET CE :methyl -133:sc= -3.11 (180deg=-5.12!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.11 K(o=-4.1,f=-8.4!) USER MOD Single : A 53 THR OG1 : rot 106:sc= 1.15 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -172:sc= -0.783 (180deg=-1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.6 USER MOD ----------------------------------------------------------------- ATOM 32 N ALA A 3 -9.719 -8.649 -3.864 1.00 0.00 N ATOM 33 CA ALA A 3 -9.166 -7.706 -2.895 1.00 0.00 C ATOM 34 C ALA A 3 -8.124 -6.812 -3.558 1.00 0.00 C ATOM 35 O ALA A 3 -7.864 -6.919 -4.756 1.00 0.00 O ATOM 36 CB ALA A 3 -8.515 -8.453 -1.731 1.00 0.00 C ATOM 0 HA ALA A 3 -9.984 -7.093 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.109 -7.734 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.261 -9.074 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.711 -9.084 -2.108 1.00 0.00 H new ATOM 42 N SER A 4 -7.529 -5.927 -2.764 1.00 0.00 N ATOM 43 CA SER A 4 -6.513 -5.015 -3.280 1.00 0.00 C ATOM 44 C SER A 4 -5.441 -4.758 -2.225 1.00 0.00 C ATOM 45 O SER A 4 -5.473 -5.330 -1.136 1.00 0.00 O ATOM 46 CB SER A 4 -7.146 -3.683 -3.685 1.00 0.00 C ATOM 47 OG SER A 4 -7.551 -3.750 -5.047 1.00 0.00 O ATOM 0 H SER A 4 -7.730 -5.822 -1.770 1.00 0.00 H new ATOM 0 HA SER A 4 -6.056 -5.479 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.004 -3.467 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.433 -2.871 -3.545 1.00 0.00 H new ATOM 0 HG SER A 4 -6.772 -3.938 -5.611 1.00 0.00 H new ATOM 53 N VAL A 5 -4.490 -3.892 -2.563 1.00 0.00 N ATOM 54 CA VAL A 5 -3.407 -3.566 -1.637 1.00 0.00 C ATOM 55 C VAL A 5 -3.703 -2.257 -0.911 1.00 0.00 C ATOM 56 O VAL A 5 -3.364 -1.176 -1.391 1.00 0.00 O ATOM 57 CB VAL A 5 -2.078 -3.425 -2.386 1.00 0.00 C ATOM 58 CG1 VAL A 5 -0.933 -3.300 -1.378 1.00 0.00 C ATOM 59 CG2 VAL A 5 -1.849 -4.660 -3.259 1.00 0.00 C ATOM 0 H VAL A 5 -4.445 -3.408 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.332 -4.378 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.111 -2.535 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.012 -3.200 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.092 -2.421 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.902 -4.190 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.903 -4.559 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.818 -5.550 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.662 -4.753 -3.979 1.00 0.00 H new ATOM 69 N VAL A 6 -4.336 -2.366 0.252 1.00 0.00 N ATOM 70 CA VAL A 6 -4.669 -1.181 1.037 1.00 0.00 C ATOM 71 C VAL A 6 -3.531 -0.847 1.996 1.00 0.00 C ATOM 72 O VAL A 6 -2.853 -1.734 2.515 1.00 0.00 O ATOM 73 CB VAL A 6 -5.955 -1.407 1.837 1.00 0.00 C ATOM 74 CG1 VAL A 6 -6.362 -0.110 2.543 1.00 0.00 C ATOM 75 CG2 VAL A 6 -7.071 -1.830 0.883 1.00 0.00 C ATOM 0 H VAL A 6 -4.626 -3.251 0.669 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.820 -0.350 0.348 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.785 -2.185 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.278 -0.277 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.567 0.201 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.532 0.670 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.990 -1.992 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.233 -1.047 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.787 -2.753 0.378 1.00 0.00 H new ATOM 85 N ALA A 7 -3.333 0.446 2.223 1.00 0.00 N ATOM 86 CA ALA A 7 -2.276 0.899 3.122 1.00 0.00 C ATOM 87 C ALA A 7 -2.597 0.509 4.561 1.00 0.00 C ATOM 88 O ALA A 7 -3.625 0.904 5.111 1.00 0.00 O ATOM 89 CB ALA A 7 -2.118 2.419 3.041 1.00 0.00 C ATOM 0 H ALA A 7 -3.884 1.194 1.802 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.346 0.421 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.326 2.739 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.861 2.704 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.055 2.898 3.327 1.00 0.00 H new ATOM 95 N ASN A 8 -1.703 -0.271 5.162 1.00 0.00 N ATOM 96 CA ASN A 8 -1.899 -0.711 6.541 1.00 0.00 C ATOM 97 C ASN A 8 -1.027 0.107 7.490 1.00 0.00 C ATOM 98 O ASN A 8 -0.585 -0.385 8.529 1.00 0.00 O ATOM 99 CB ASN A 8 -1.542 -2.191 6.688 1.00 0.00 C ATOM 100 CG ASN A 8 -2.170 -2.743 7.962 1.00 0.00 C ATOM 101 OD1 ASN A 8 -3.342 -2.490 8.244 1.00 0.00 O ATOM 102 ND2 ASN A 8 -1.455 -3.489 8.759 1.00 0.00 N ATOM 0 H ASN A 8 -0.846 -0.608 4.723 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.949 -0.565 6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.899 -2.750 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.459 -2.313 6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.867 -3.862 9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.484 -3.699 8.527 1.00 0.00 H new ATOM 109 N GLN A 9 -0.785 1.362 7.120 1.00 0.00 N ATOM 110 CA GLN A 9 0.037 2.249 7.941 1.00 0.00 C ATOM 111 C GLN A 9 0.159 3.615 7.270 1.00 0.00 C ATOM 112 O GLN A 9 -0.037 3.749 6.064 1.00 0.00 O ATOM 113 CB GLN A 9 1.439 1.658 8.137 1.00 0.00 C ATOM 114 CG GLN A 9 1.932 1.954 9.556 1.00 0.00 C ATOM 115 CD GLN A 9 3.451 1.831 9.604 1.00 0.00 C ATOM 116 OE1 GLN A 9 4.004 0.781 9.279 1.00 0.00 O ATOM 117 NE2 GLN A 9 4.164 2.851 9.995 1.00 0.00 N ATOM 0 H GLN A 9 -1.143 1.786 6.264 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.443 2.357 8.913 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.417 0.582 7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.128 2.082 7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.628 2.957 9.856 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.478 1.259 10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.705 3.721 10.264 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.181 2.779 10.031 1.00 0.00 H new ATOM 126 N LEU A 10 0.484 4.628 8.068 1.00 0.00 N ATOM 127 CA LEU A 10 0.628 5.981 7.538 1.00 0.00 C ATOM 128 C LEU A 10 1.870 6.078 6.657 1.00 0.00 C ATOM 129 O LEU A 10 2.986 6.251 7.148 1.00 0.00 O ATOM 130 CB LEU A 10 0.743 6.995 8.678 1.00 0.00 C ATOM 131 CG LEU A 10 0.678 8.415 8.109 1.00 0.00 C ATOM 132 CD1 LEU A 10 -0.705 8.662 7.505 1.00 0.00 C ATOM 133 CD2 LEU A 10 0.931 9.423 9.233 1.00 0.00 C ATOM 0 H LEU A 10 0.651 4.541 9.071 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.258 6.205 6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.062 6.843 9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.681 6.850 9.215 1.00 0.00 H new ATOM 0 HG LEU A 10 1.437 8.532 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.750 9.673 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.887 7.943 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.465 8.546 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.885 10.435 8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.171 9.305 10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.917 9.248 9.664 1.00 0.00 H new ATOM 145 N ILE A 11 1.662 5.967 5.348 1.00 0.00 N ATOM 146 CA ILE A 11 2.768 6.045 4.399 1.00 0.00 C ATOM 147 C ILE A 11 2.991 7.504 3.969 1.00 0.00 C ATOM 148 O ILE A 11 2.101 8.113 3.377 1.00 0.00 O ATOM 149 CB ILE A 11 2.465 5.205 3.153 1.00 0.00 C ATOM 150 CG1 ILE A 11 2.102 3.775 3.570 1.00 0.00 C ATOM 151 CG2 ILE A 11 3.697 5.166 2.246 1.00 0.00 C ATOM 152 CD1 ILE A 11 1.190 3.151 2.513 1.00 0.00 C ATOM 0 H ILE A 11 0.746 5.824 4.923 1.00 0.00 H new ATOM 0 HA ILE A 11 3.663 5.661 4.888 1.00 0.00 H new ATOM 0 HB ILE A 11 1.629 5.653 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.006 3.177 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.602 3.783 4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.479 4.568 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.958 6.180 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.533 4.722 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.932 2.134 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.280 3.744 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.707 3.129 1.554 1.00 0.00 H new ATOM 164 N PRO A 12 4.170 8.093 4.253 1.00 0.00 N ATOM 165 CA PRO A 12 4.447 9.490 3.869 1.00 0.00 C ATOM 166 C PRO A 12 4.887 9.623 2.413 1.00 0.00 C ATOM 167 O PRO A 12 5.440 8.693 1.827 1.00 0.00 O ATOM 168 CB PRO A 12 5.578 9.871 4.815 1.00 0.00 C ATOM 169 CG PRO A 12 6.266 8.577 5.235 1.00 0.00 C ATOM 170 CD PRO A 12 5.291 7.428 4.960 1.00 0.00 C ATOM 0 HA PRO A 12 3.566 10.127 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.283 10.540 4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.190 10.401 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.192 8.436 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.532 8.610 6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.748 6.651 4.348 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.959 6.953 5.883 1.00 0.00 H new ATOM 178 N ILE A 13 4.632 10.796 1.837 1.00 0.00 N ATOM 179 CA ILE A 13 5.001 11.050 0.448 1.00 0.00 C ATOM 180 C ILE A 13 6.519 10.942 0.269 1.00 0.00 C ATOM 181 O ILE A 13 7.288 11.220 1.190 1.00 0.00 O ATOM 182 CB ILE A 13 4.515 12.443 0.015 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.815 12.646 -1.474 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.218 13.529 0.842 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.256 13.994 -1.939 1.00 0.00 C ATOM 0 H ILE A 13 4.176 11.578 2.306 1.00 0.00 H new ATOM 0 HA ILE A 13 4.522 10.299 -0.180 1.00 0.00 H new ATOM 0 HB ILE A 13 3.440 12.516 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.891 12.610 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.372 11.838 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.866 14.511 0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.993 13.385 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.295 13.463 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.473 14.132 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.177 14.014 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.720 14.797 -1.366 1.00 0.00 H new ATOM 197 N ASN A 14 6.935 10.537 -0.928 1.00 0.00 N ATOM 198 CA ASN A 14 8.360 10.393 -1.224 1.00 0.00 C ATOM 199 C ASN A 14 9.000 9.365 -0.293 1.00 0.00 C ATOM 200 O ASN A 14 10.143 9.517 0.137 1.00 0.00 O ATOM 201 CB ASN A 14 9.079 11.737 -1.065 1.00 0.00 C ATOM 202 CG ASN A 14 9.071 12.489 -2.394 1.00 0.00 C ATOM 203 OD1 ASN A 14 8.019 12.425 -3.165 1.00 0.00 O flip ATOM 204 ND2 ASN A 14 10.047 13.153 -2.743 1.00 0.00 N flip ATOM 0 H ASN A 14 6.314 10.304 -1.703 1.00 0.00 H new ATOM 0 HA ASN A 14 8.457 10.052 -2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.588 12.334 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.105 11.574 -0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.870 13.205 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.033 13.652 -3.633 1.00 0.00 H new ATOM 211 N THR A 15 8.245 8.312 0.011 1.00 0.00 N ATOM 212 CA THR A 15 8.744 7.260 0.891 1.00 0.00 C ATOM 213 C THR A 15 8.393 5.886 0.330 1.00 0.00 C ATOM 214 O THR A 15 7.303 5.676 -0.202 1.00 0.00 O ATOM 215 CB THR A 15 8.137 7.398 2.289 1.00 0.00 C ATOM 216 OG1 THR A 15 8.309 8.731 2.748 1.00 0.00 O ATOM 217 CG2 THR A 15 8.833 6.431 3.248 1.00 0.00 C ATOM 0 H THR A 15 7.297 8.166 -0.335 1.00 0.00 H new ATOM 0 HA THR A 15 9.827 7.361 0.955 1.00 0.00 H new ATOM 0 HB THR A 15 7.074 7.162 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.525 9.265 2.502 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.400 6.531 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.699 5.409 2.894 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.897 6.664 3.291 1.00 0.00 H new ATOM 225 N ALA A 16 9.331 4.952 0.454 1.00 0.00 N ATOM 226 CA ALA A 16 9.115 3.597 -0.046 1.00 0.00 C ATOM 227 C ALA A 16 8.094 2.866 0.820 1.00 0.00 C ATOM 228 O ALA A 16 7.934 3.163 2.004 1.00 0.00 O ATOM 229 CB ALA A 16 10.427 2.808 -0.043 1.00 0.00 C ATOM 0 H ALA A 16 10.240 5.105 0.892 1.00 0.00 H new ATOM 0 HA ALA A 16 8.740 3.672 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.247 1.801 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.154 3.309 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.815 2.752 0.974 1.00 0.00 H new ATOM 235 N LEU A 17 7.404 1.905 0.214 1.00 0.00 N ATOM 236 CA LEU A 17 6.396 1.131 0.936 1.00 0.00 C ATOM 237 C LEU A 17 7.035 -0.082 1.603 1.00 0.00 C ATOM 238 O LEU A 17 8.210 -0.379 1.390 1.00 0.00 O ATOM 239 CB LEU A 17 5.301 0.653 -0.020 1.00 0.00 C ATOM 240 CG LEU A 17 4.629 1.861 -0.673 1.00 0.00 C ATOM 241 CD1 LEU A 17 3.717 1.386 -1.807 1.00 0.00 C ATOM 242 CD2 LEU A 17 3.795 2.606 0.372 1.00 0.00 C ATOM 0 H LEU A 17 7.521 1.644 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 17 5.957 1.777 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.729 0.005 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.563 0.062 0.522 1.00 0.00 H new ATOM 0 HG LEU A 17 5.392 2.528 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.237 2.247 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.309 0.853 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.954 0.719 -1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.315 3.468 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.032 1.938 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.443 2.944 1.181 1.00 0.00 H new ATOM 254 N THR A 18 6.246 -0.780 2.415 1.00 0.00 N ATOM 255 CA THR A 18 6.741 -1.964 3.112 1.00 0.00 C ATOM 256 C THR A 18 5.605 -2.954 3.348 1.00 0.00 C ATOM 257 O THR A 18 4.429 -2.613 3.221 1.00 0.00 O ATOM 258 CB THR A 18 7.355 -1.577 4.459 1.00 0.00 C ATOM 259 OG1 THR A 18 6.697 -0.424 4.963 1.00 0.00 O ATOM 260 CG2 THR A 18 8.843 -1.279 4.276 1.00 0.00 C ATOM 0 H THR A 18 5.271 -0.550 2.606 1.00 0.00 H new ATOM 0 HA THR A 18 7.505 -2.428 2.488 1.00 0.00 H new ATOM 0 HB THR A 18 7.236 -2.400 5.163 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.088 -0.176 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.280 -1.003 5.236 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.347 -2.165 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.965 -0.456 3.572 1.00 0.00 H new ATOM 268 N LEU A 19 5.971 -4.185 3.696 1.00 0.00 N ATOM 269 CA LEU A 19 4.973 -5.221 3.953 1.00 0.00 C ATOM 270 C LEU A 19 4.089 -4.825 5.131 1.00 0.00 C ATOM 271 O LEU A 19 2.903 -5.152 5.174 1.00 0.00 O ATOM 272 CB LEU A 19 5.654 -6.554 4.266 1.00 0.00 C ATOM 273 CG LEU A 19 5.932 -7.305 2.962 1.00 0.00 C ATOM 274 CD1 LEU A 19 7.185 -6.732 2.301 1.00 0.00 C ATOM 275 CD2 LEU A 19 6.148 -8.789 3.266 1.00 0.00 C ATOM 0 H LEU A 19 6.939 -4.488 3.806 1.00 0.00 H new ATOM 0 HA LEU A 19 4.360 -5.329 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.586 -6.381 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.018 -7.155 4.916 1.00 0.00 H new ATOM 0 HG LEU A 19 5.083 -7.192 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.383 -7.267 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.031 -5.675 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.035 -6.845 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.346 -9.325 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.998 -8.903 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.254 -9.198 3.738 1.00 0.00 H new ATOM 287 N VAL A 20 4.682 -4.114 6.086 1.00 0.00 N ATOM 288 CA VAL A 20 3.944 -3.672 7.265 1.00 0.00 C ATOM 289 C VAL A 20 2.889 -2.633 6.875 1.00 0.00 C ATOM 290 O VAL A 20 1.836 -2.529 7.505 1.00 0.00 O ATOM 291 CB VAL A 20 4.912 -3.079 8.305 1.00 0.00 C ATOM 292 CG1 VAL A 20 5.603 -1.835 7.733 1.00 0.00 C ATOM 293 CG2 VAL A 20 4.145 -2.702 9.579 1.00 0.00 C ATOM 0 H VAL A 20 5.663 -3.834 6.068 1.00 0.00 H new ATOM 0 HA VAL A 20 3.440 -4.533 7.703 1.00 0.00 H new ATOM 0 HB VAL A 20 5.667 -3.827 8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.285 -1.424 8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.163 -2.109 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.852 -1.087 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.837 -2.283 10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.381 -1.963 9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.672 -3.591 9.995 1.00 0.00 H new ATOM 303 N MET A 21 3.186 -1.866 5.828 1.00 0.00 N ATOM 304 CA MET A 21 2.257 -0.837 5.363 1.00 0.00 C ATOM 305 C MET A 21 1.447 -1.343 4.172 1.00 0.00 C ATOM 306 O MET A 21 1.075 -0.574 3.285 1.00 0.00 O ATOM 307 CB MET A 21 3.018 0.426 4.949 1.00 0.00 C ATOM 308 CG MET A 21 3.940 0.864 6.088 1.00 0.00 C ATOM 309 SD MET A 21 4.286 2.635 5.941 1.00 0.00 S ATOM 310 CE MET A 21 5.636 2.505 4.743 1.00 0.00 C ATOM 0 H MET A 21 4.051 -1.935 5.291 1.00 0.00 H new ATOM 0 HA MET A 21 1.582 -0.601 6.185 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.601 0.233 4.049 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.316 1.224 4.709 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.472 0.653 7.050 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.870 0.297 6.055 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.829 3.484 4.305 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.535 2.148 5.245 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.358 1.804 3.956 1.00 0.00 H new ATOM 320 N MET A 22 1.175 -2.646 4.163 1.00 0.00 N ATOM 321 CA MET A 22 0.403 -3.246 3.078 1.00 0.00 C ATOM 322 C MET A 22 -0.398 -4.437 3.594 1.00 0.00 C ATOM 323 O MET A 22 0.056 -5.179 4.465 1.00 0.00 O ATOM 324 CB MET A 22 1.326 -3.720 1.954 1.00 0.00 C ATOM 325 CG MET A 22 1.909 -2.509 1.221 1.00 0.00 C ATOM 326 SD MET A 22 2.216 -2.934 -0.512 1.00 0.00 S ATOM 327 CE MET A 22 3.286 -4.365 -0.219 1.00 0.00 C ATOM 0 H MET A 22 1.474 -3.300 4.886 1.00 0.00 H new ATOM 0 HA MET A 22 -0.275 -2.486 2.691 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.130 -4.331 2.364 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.772 -4.348 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.219 -1.668 1.282 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.837 -2.195 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.268 -4.181 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.391 -4.527 0.854 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.845 -5.249 -0.678 1.00 0.00 H new ATOM 337 N ARG A 23 -1.598 -4.611 3.046 1.00 0.00 N ATOM 338 CA ARG A 23 -2.459 -5.716 3.458 1.00 0.00 C ATOM 339 C ARG A 23 -3.497 -6.012 2.380 1.00 0.00 C ATOM 340 O ARG A 23 -3.809 -5.161 1.547 1.00 0.00 O ATOM 341 CB ARG A 23 -3.177 -5.379 4.767 1.00 0.00 C ATOM 342 CG ARG A 23 -3.948 -4.061 4.612 1.00 0.00 C ATOM 343 CD ARG A 23 -5.444 -4.350 4.465 1.00 0.00 C ATOM 344 NE ARG A 23 -6.022 -4.735 5.751 1.00 0.00 N ATOM 345 CZ ARG A 23 -6.228 -3.833 6.706 1.00 0.00 C ATOM 346 NH1 ARG A 23 -7.081 -2.863 6.516 1.00 0.00 N ATOM 347 NH2 ARG A 23 -5.576 -3.917 7.834 1.00 0.00 N ATOM 0 H ARG A 23 -1.993 -4.009 2.324 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.831 -6.594 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.863 -6.183 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.454 -5.295 5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.775 -3.424 5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.586 -3.518 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.954 -3.467 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.596 -5.148 3.738 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.271 -5.710 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.590 -2.797 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.238 -2.171 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.909 -4.674 7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.734 -3.225 8.567 1.00 0.00 H new ATOM 361 N SER A 24 -4.027 -7.232 2.405 1.00 0.00 N ATOM 362 CA SER A 24 -5.031 -7.636 1.424 1.00 0.00 C ATOM 363 C SER A 24 -6.436 -7.412 1.974 1.00 0.00 C ATOM 364 O SER A 24 -6.920 -8.174 2.812 1.00 0.00 O ATOM 365 CB SER A 24 -4.865 -9.114 1.068 1.00 0.00 C ATOM 366 OG SER A 24 -5.932 -9.514 0.218 1.00 0.00 O ATOM 0 H SER A 24 -3.782 -7.951 3.086 1.00 0.00 H new ATOM 0 HA SER A 24 -4.891 -7.029 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.908 -9.275 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.859 -9.720 1.974 1.00 0.00 H new ATOM 0 HG SER A 24 -5.828 -10.461 -0.014 1.00 0.00 H new ATOM 372 N GLU A 25 -7.087 -6.358 1.491 1.00 0.00 N ATOM 373 CA GLU A 25 -8.441 -6.040 1.938 1.00 0.00 C ATOM 374 C GLU A 25 -9.287 -5.552 0.767 1.00 0.00 C ATOM 375 O GLU A 25 -8.804 -4.843 -0.115 1.00 0.00 O ATOM 376 CB GLU A 25 -8.410 -4.956 3.018 1.00 0.00 C ATOM 377 CG GLU A 25 -9.795 -4.830 3.654 1.00 0.00 C ATOM 378 CD GLU A 25 -9.651 -4.353 5.096 1.00 0.00 C ATOM 379 OE1 GLU A 25 -8.903 -4.975 5.833 1.00 0.00 O ATOM 380 OE2 GLU A 25 -10.290 -3.373 5.441 1.00 0.00 O ATOM 0 H GLU A 25 -6.705 -5.715 0.797 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.880 -6.948 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.670 -5.206 3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.110 -4.003 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.405 -4.127 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.308 -5.791 3.627 1.00 0.00 H new ATOM 387 N VAL A 26 -10.560 -5.942 0.769 1.00 0.00 N ATOM 388 CA VAL A 26 -11.471 -5.541 -0.301 1.00 0.00 C ATOM 389 C VAL A 26 -11.787 -4.051 -0.201 1.00 0.00 C ATOM 390 O VAL A 26 -12.166 -3.552 0.859 1.00 0.00 O ATOM 391 CB VAL A 26 -12.778 -6.336 -0.221 1.00 0.00 C ATOM 392 CG1 VAL A 26 -13.632 -6.046 -1.456 1.00 0.00 C ATOM 393 CG2 VAL A 26 -12.464 -7.833 -0.163 1.00 0.00 C ATOM 0 H VAL A 26 -10.980 -6.528 1.490 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.982 -5.746 -1.253 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.323 -6.042 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.561 -6.613 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.859 -4.981 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.086 -6.338 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.394 -8.398 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.916 -8.125 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.857 -8.044 0.718 1.00 0.00 H new ATOM 403 N VAL A 27 -11.625 -3.349 -1.320 1.00 0.00 N ATOM 404 CA VAL A 27 -11.896 -1.914 -1.354 1.00 0.00 C ATOM 405 C VAL A 27 -12.227 -1.470 -2.775 1.00 0.00 C ATOM 406 O VAL A 27 -11.929 -2.168 -3.744 1.00 0.00 O ATOM 407 CB VAL A 27 -10.681 -1.128 -0.859 1.00 0.00 C ATOM 408 CG1 VAL A 27 -10.449 -1.424 0.624 1.00 0.00 C ATOM 409 CG2 VAL A 27 -9.444 -1.545 -1.660 1.00 0.00 C ATOM 0 H VAL A 27 -11.311 -3.745 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.747 -1.716 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.861 -0.061 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.583 -0.863 0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.329 -1.129 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.270 -2.491 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.577 -0.986 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.266 -2.612 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.607 -1.335 -2.717 1.00 0.00 H new ATOM 419 N THR A 28 -12.847 -0.298 -2.889 1.00 0.00 N ATOM 420 CA THR A 28 -13.214 0.233 -4.199 1.00 0.00 C ATOM 421 C THR A 28 -12.518 1.580 -4.440 1.00 0.00 C ATOM 422 O THR A 28 -12.344 2.364 -3.506 1.00 0.00 O ATOM 423 CB THR A 28 -14.730 0.429 -4.292 1.00 0.00 C ATOM 424 OG1 THR A 28 -15.053 1.044 -5.532 1.00 0.00 O ATOM 425 CG2 THR A 28 -15.206 1.316 -3.139 1.00 0.00 C ATOM 0 H THR A 28 -13.103 0.296 -2.100 1.00 0.00 H new ATOM 0 HA THR A 28 -12.896 -0.483 -4.957 1.00 0.00 H new ATOM 0 HB THR A 28 -15.225 -0.540 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.023 1.168 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.285 1.454 -3.208 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.960 0.841 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.712 2.286 -3.198 1.00 0.00 H new ATOM 433 N PRO A 29 -12.107 1.872 -5.688 1.00 0.00 N ATOM 434 CA PRO A 29 -12.286 0.974 -6.852 1.00 0.00 C ATOM 435 C PRO A 29 -11.235 -0.133 -6.904 1.00 0.00 C ATOM 436 O PRO A 29 -10.176 -0.032 -6.285 1.00 0.00 O ATOM 437 CB PRO A 29 -12.127 1.929 -8.028 1.00 0.00 C ATOM 438 CG PRO A 29 -11.310 3.115 -7.530 1.00 0.00 C ATOM 439 CD PRO A 29 -11.424 3.143 -6.003 1.00 0.00 C ATOM 0 HA PRO A 29 -13.238 0.444 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.624 1.436 -8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.100 2.257 -8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.268 3.018 -7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.683 4.045 -7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.445 3.202 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.997 4.004 -5.658 1.00 0.00 H new ATOM 447 N VAL A 30 -11.543 -1.191 -7.649 1.00 0.00 N ATOM 448 CA VAL A 30 -10.621 -2.318 -7.774 1.00 0.00 C ATOM 449 C VAL A 30 -9.306 -1.865 -8.403 1.00 0.00 C ATOM 450 O VAL A 30 -9.183 -1.779 -9.626 1.00 0.00 O ATOM 451 CB VAL A 30 -11.233 -3.423 -8.639 1.00 0.00 C ATOM 452 CG1 VAL A 30 -10.343 -4.666 -8.587 1.00 0.00 C ATOM 453 CG2 VAL A 30 -12.625 -3.775 -8.107 1.00 0.00 C ATOM 0 H VAL A 30 -12.414 -1.293 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.431 -2.706 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.312 -3.074 -9.669 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.780 -5.452 -9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.350 -4.419 -8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.264 -5.014 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.061 -4.562 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.544 -4.123 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.262 -2.891 -8.142 1.00 0.00 H new ATOM 463 N GLY A 31 -8.325 -1.579 -7.554 1.00 0.00 N ATOM 464 CA GLY A 31 -7.018 -1.139 -8.032 1.00 0.00 C ATOM 465 C GLY A 31 -6.066 -2.324 -8.159 1.00 0.00 C ATOM 466 O GLY A 31 -6.380 -3.324 -8.804 1.00 0.00 O ATOM 0 H GLY A 31 -8.408 -1.643 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.125 -0.646 -8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.602 -0.403 -7.344 1.00 0.00 H new ATOM 470 N ILE A 32 -4.900 -2.201 -7.532 1.00 0.00 N ATOM 471 CA ILE A 32 -3.907 -3.271 -7.576 1.00 0.00 C ATOM 472 C ILE A 32 -4.353 -4.437 -6.684 1.00 0.00 C ATOM 473 O ILE A 32 -4.867 -4.213 -5.589 1.00 0.00 O ATOM 474 CB ILE A 32 -2.548 -2.758 -7.089 1.00 0.00 C ATOM 475 CG1 ILE A 32 -2.162 -1.505 -7.879 1.00 0.00 C ATOM 476 CG2 ILE A 32 -1.485 -3.839 -7.300 1.00 0.00 C ATOM 477 CD1 ILE A 32 -0.969 -0.822 -7.204 1.00 0.00 C ATOM 0 H ILE A 32 -4.621 -1.381 -6.993 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.814 -3.612 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.613 -2.515 -6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.909 -1.773 -8.905 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.007 -0.819 -7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.519 -3.472 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.757 -4.732 -6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.420 -4.084 -8.360 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.694 0.070 -7.767 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.239 -0.540 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.123 -1.509 -7.178 1.00 0.00 H new ATOM 489 N PRO A 33 -4.168 -5.695 -7.126 1.00 0.00 N ATOM 490 CA PRO A 33 -4.572 -6.863 -6.322 1.00 0.00 C ATOM 491 C PRO A 33 -3.544 -7.217 -5.249 1.00 0.00 C ATOM 492 O PRO A 33 -2.512 -6.559 -5.120 1.00 0.00 O ATOM 493 CB PRO A 33 -4.667 -7.966 -7.369 1.00 0.00 C ATOM 494 CG PRO A 33 -3.774 -7.553 -8.535 1.00 0.00 C ATOM 495 CD PRO A 33 -3.555 -6.040 -8.432 1.00 0.00 C ATOM 0 HA PRO A 33 -5.496 -6.692 -5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.343 -8.920 -6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.697 -8.096 -7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.822 -8.082 -8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.241 -7.809 -9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.496 -5.784 -8.459 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.033 -5.507 -9.254 1.00 0.00 H new ATOM 503 N ALA A 34 -3.838 -8.264 -4.483 1.00 0.00 N ATOM 504 CA ALA A 34 -2.931 -8.696 -3.420 1.00 0.00 C ATOM 505 C ALA A 34 -1.922 -9.733 -3.927 1.00 0.00 C ATOM 506 O ALA A 34 -1.293 -10.434 -3.135 1.00 0.00 O ATOM 507 CB ALA A 34 -3.722 -9.306 -2.262 1.00 0.00 C ATOM 0 H ALA A 34 -4.686 -8.824 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.389 -7.814 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.034 -9.623 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.411 -8.563 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.286 -10.168 -2.620 1.00 0.00 H new ATOM 513 N GLU A 35 -1.765 -9.827 -5.248 1.00 0.00 N ATOM 514 CA GLU A 35 -0.823 -10.782 -5.822 1.00 0.00 C ATOM 515 C GLU A 35 0.553 -10.144 -5.990 1.00 0.00 C ATOM 516 O GLU A 35 1.579 -10.824 -5.935 1.00 0.00 O ATOM 517 CB GLU A 35 -1.317 -11.266 -7.187 1.00 0.00 C ATOM 518 CG GLU A 35 -2.468 -12.254 -6.993 1.00 0.00 C ATOM 519 CD GLU A 35 -3.265 -12.369 -8.288 1.00 0.00 C ATOM 520 OE1 GLU A 35 -2.647 -12.407 -9.339 1.00 0.00 O ATOM 521 OE2 GLU A 35 -4.481 -12.418 -8.210 1.00 0.00 O ATOM 0 H GLU A 35 -2.271 -9.262 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.748 -11.629 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.649 -10.418 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.502 -11.743 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.078 -13.231 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.116 -11.919 -6.183 1.00 0.00 H new ATOM 528 N ASP A 36 0.567 -8.830 -6.202 1.00 0.00 N ATOM 529 CA ASP A 36 1.825 -8.111 -6.385 1.00 0.00 C ATOM 530 C ASP A 36 2.256 -7.426 -5.090 1.00 0.00 C ATOM 531 O ASP A 36 2.891 -6.372 -5.113 1.00 0.00 O ATOM 532 CB ASP A 36 1.681 -7.053 -7.481 1.00 0.00 C ATOM 533 CG ASP A 36 1.655 -7.735 -8.845 1.00 0.00 C ATOM 534 OD1 ASP A 36 0.702 -8.451 -9.109 1.00 0.00 O ATOM 535 OD2 ASP A 36 2.588 -7.533 -9.604 1.00 0.00 O ATOM 0 H ASP A 36 -0.269 -8.247 -6.251 1.00 0.00 H new ATOM 0 HA ASP A 36 2.582 -8.840 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.765 -6.481 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.510 -6.347 -7.431 1.00 0.00 H new ATOM 540 N ILE A 37 1.915 -8.039 -3.959 1.00 0.00 N ATOM 541 CA ILE A 37 2.286 -7.477 -2.663 1.00 0.00 C ATOM 542 C ILE A 37 3.816 -7.454 -2.492 1.00 0.00 C ATOM 543 O ILE A 37 4.370 -6.426 -2.100 1.00 0.00 O ATOM 544 CB ILE A 37 1.635 -8.266 -1.518 1.00 0.00 C ATOM 545 CG1 ILE A 37 0.116 -8.244 -1.696 1.00 0.00 C ATOM 546 CG2 ILE A 37 1.988 -7.627 -0.170 1.00 0.00 C ATOM 547 CD1 ILE A 37 -0.524 -9.278 -0.769 1.00 0.00 C ATOM 0 H ILE A 37 1.390 -8.912 -3.913 1.00 0.00 H new ATOM 0 HA ILE A 37 1.920 -6.451 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 37 2.003 -9.292 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.272 -7.250 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.142 -8.461 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.521 -8.194 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.070 -7.632 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.624 -6.600 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.606 -9.261 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.145 -10.270 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.277 -9.041 0.266 1.00 0.00 H new ATOM 559 N PRO A 38 4.532 -8.559 -2.787 1.00 0.00 N ATOM 560 CA PRO A 38 6.003 -8.573 -2.650 1.00 0.00 C ATOM 561 C PRO A 38 6.704 -7.828 -3.786 1.00 0.00 C ATOM 562 O PRO A 38 7.844 -7.387 -3.647 1.00 0.00 O ATOM 563 CB PRO A 38 6.329 -10.061 -2.690 1.00 0.00 C ATOM 564 CG PRO A 38 5.180 -10.745 -3.415 1.00 0.00 C ATOM 565 CD PRO A 38 3.954 -9.840 -3.270 1.00 0.00 C ATOM 0 HA PRO A 38 6.342 -8.069 -1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.272 -10.236 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.441 -10.459 -1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.424 -10.897 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.986 -11.728 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.432 -9.714 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.233 -10.249 -2.562 1.00 0.00 H new ATOM 573 N ARG A 39 6.005 -7.690 -4.912 1.00 0.00 N ATOM 574 CA ARG A 39 6.566 -6.989 -6.065 1.00 0.00 C ATOM 575 C ARG A 39 6.505 -5.475 -5.859 1.00 0.00 C ATOM 576 O ARG A 39 7.294 -4.727 -6.436 1.00 0.00 O ATOM 577 CB ARG A 39 5.792 -7.349 -7.335 1.00 0.00 C ATOM 578 CG ARG A 39 6.726 -7.276 -8.545 1.00 0.00 C ATOM 579 CD ARG A 39 7.265 -8.673 -8.861 1.00 0.00 C ATOM 580 NE ARG A 39 8.412 -8.987 -8.014 1.00 0.00 N ATOM 581 CZ ARG A 39 8.883 -10.229 -7.933 1.00 0.00 C ATOM 582 NH1 ARG A 39 9.502 -10.759 -8.952 1.00 0.00 N ATOM 583 NH2 ARG A 39 8.727 -10.916 -6.834 1.00 0.00 N ATOM 0 H ARG A 39 5.061 -8.050 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 39 7.606 -7.297 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.374 -8.352 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.954 -6.665 -7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.191 -6.878 -9.407 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.551 -6.594 -8.340 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.480 -9.414 -8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.556 -8.727 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 39 8.859 -8.244 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.625 -10.221 -9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.863 -11.711 -8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.244 -10.501 -6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.088 -11.868 -6.772 1.00 0.00 H new ATOM 597 N LEU A 40 5.558 -5.030 -5.031 1.00 0.00 N ATOM 598 CA LEU A 40 5.404 -3.602 -4.760 1.00 0.00 C ATOM 599 C LEU A 40 6.092 -3.222 -3.451 1.00 0.00 C ATOM 600 O LEU A 40 5.659 -2.307 -2.750 1.00 0.00 O ATOM 601 CB LEU A 40 3.921 -3.233 -4.663 1.00 0.00 C ATOM 602 CG LEU A 40 3.335 -3.083 -6.068 1.00 0.00 C ATOM 603 CD1 LEU A 40 1.886 -3.573 -6.072 1.00 0.00 C ATOM 604 CD2 LEU A 40 3.375 -1.609 -6.482 1.00 0.00 C ATOM 0 H LEU A 40 4.894 -5.631 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 40 5.866 -3.057 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.380 -4.003 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.803 -2.302 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 40 3.921 -3.675 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.469 -3.466 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.856 -4.622 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.300 -2.981 -5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.958 -1.501 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.789 -1.017 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.407 -1.258 -6.479 1.00 0.00 H new ATOM 616 N VAL A 41 7.169 -3.933 -3.127 1.00 0.00 N ATOM 617 CA VAL A 41 7.908 -3.658 -1.899 1.00 0.00 C ATOM 618 C VAL A 41 8.945 -2.565 -2.137 1.00 0.00 C ATOM 619 O VAL A 41 9.640 -2.558 -3.154 1.00 0.00 O ATOM 620 CB VAL A 41 8.611 -4.923 -1.399 1.00 0.00 C ATOM 621 CG1 VAL A 41 9.250 -4.655 -0.033 1.00 0.00 C ATOM 622 CG2 VAL A 41 7.590 -6.055 -1.263 1.00 0.00 C ATOM 0 H VAL A 41 7.546 -4.695 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 41 7.196 -3.323 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 41 9.384 -5.208 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.749 -5.558 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.979 -3.850 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.477 -4.366 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.090 -6.956 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.817 -5.764 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.134 -6.253 -2.233 1.00 0.00 H new ATOM 632 N SER A 42 9.040 -1.641 -1.185 1.00 0.00 N ATOM 633 CA SER A 42 9.995 -0.540 -1.289 1.00 0.00 C ATOM 634 C SER A 42 9.698 0.311 -2.524 1.00 0.00 C ATOM 635 O SER A 42 10.602 0.712 -3.258 1.00 0.00 O ATOM 636 CB SER A 42 11.426 -1.076 -1.377 1.00 0.00 C ATOM 637 OG SER A 42 12.330 0.015 -1.501 1.00 0.00 O ATOM 0 H SER A 42 8.472 -1.631 -0.338 1.00 0.00 H new ATOM 0 HA SER A 42 9.897 0.076 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.663 -1.660 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.524 -1.744 -2.233 1.00 0.00 H new ATOM 0 HG SER A 42 12.122 0.521 -2.314 1.00 0.00 H new ATOM 643 N MET A 43 8.414 0.584 -2.742 1.00 0.00 N ATOM 644 CA MET A 43 8.002 1.390 -3.888 1.00 0.00 C ATOM 645 C MET A 43 7.728 2.828 -3.457 1.00 0.00 C ATOM 646 O MET A 43 7.072 3.074 -2.445 1.00 0.00 O ATOM 647 CB MET A 43 6.735 0.811 -4.524 1.00 0.00 C ATOM 648 CG MET A 43 7.007 -0.620 -4.991 1.00 0.00 C ATOM 649 SD MET A 43 8.180 -0.593 -6.369 1.00 0.00 S ATOM 650 CE MET A 43 6.982 -0.252 -7.681 1.00 0.00 C ATOM 0 H MET A 43 7.649 0.264 -2.148 1.00 0.00 H new ATOM 0 HA MET A 43 8.812 1.376 -4.617 1.00 0.00 H new ATOM 0 HB2 MET A 43 5.917 0.821 -3.804 1.00 0.00 H new ATOM 0 HB3 MET A 43 6.424 1.427 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.409 -1.212 -4.169 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.077 -1.096 -5.301 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.157 -0.928 -8.518 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.972 -0.401 -7.299 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.094 0.779 -8.017 1.00 0.00 H new ATOM 660 N GLN A 44 8.241 3.774 -4.238 1.00 0.00 N ATOM 661 CA GLN A 44 8.049 5.189 -3.930 1.00 0.00 C ATOM 662 C GLN A 44 6.752 5.699 -4.552 1.00 0.00 C ATOM 663 O GLN A 44 6.551 5.610 -5.764 1.00 0.00 O ATOM 664 CB GLN A 44 9.218 6.018 -4.466 1.00 0.00 C ATOM 665 CG GLN A 44 10.393 5.934 -3.490 1.00 0.00 C ATOM 666 CD GLN A 44 11.450 6.964 -3.876 1.00 0.00 C ATOM 667 OE1 GLN A 44 11.933 6.972 -5.008 1.00 0.00 O ATOM 668 NE2 GLN A 44 11.841 7.842 -2.994 1.00 0.00 N ATOM 0 H GLN A 44 8.787 3.591 -5.080 1.00 0.00 H new ATOM 0 HA GLN A 44 7.998 5.293 -2.846 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.519 5.650 -5.447 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.912 7.056 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.048 6.116 -2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.823 4.932 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.441 7.835 -2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.547 8.535 -3.243 1.00 0.00 H new ATOM 677 N VAL A 45 5.876 6.237 -3.708 1.00 0.00 N ATOM 678 CA VAL A 45 4.598 6.762 -4.183 1.00 0.00 C ATOM 679 C VAL A 45 4.751 8.213 -4.624 1.00 0.00 C ATOM 680 O VAL A 45 5.681 8.908 -4.214 1.00 0.00 O ATOM 681 CB VAL A 45 3.542 6.684 -3.080 1.00 0.00 C ATOM 682 CG1 VAL A 45 3.254 5.218 -2.752 1.00 0.00 C ATOM 683 CG2 VAL A 45 4.058 7.393 -1.826 1.00 0.00 C ATOM 0 H VAL A 45 6.024 6.321 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 45 4.279 6.156 -5.031 1.00 0.00 H new ATOM 0 HB VAL A 45 2.627 7.168 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.501 5.162 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.885 4.711 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.170 4.734 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.305 7.337 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.974 6.910 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.264 8.438 -2.058 1.00 0.00 H new ATOM 693 N ASN A 46 3.827 8.665 -5.469 1.00 0.00 N ATOM 694 CA ASN A 46 3.869 10.038 -5.964 1.00 0.00 C ATOM 695 C ASN A 46 3.247 10.995 -4.949 1.00 0.00 C ATOM 696 O ASN A 46 3.652 12.152 -4.838 1.00 0.00 O ATOM 697 CB ASN A 46 3.121 10.157 -7.297 1.00 0.00 C ATOM 698 CG ASN A 46 1.676 9.696 -7.126 1.00 0.00 C ATOM 699 OD1 ASN A 46 1.393 8.498 -7.133 1.00 0.00 O ATOM 700 ND2 ASN A 46 0.734 10.586 -6.976 1.00 0.00 N ATOM 0 H ASN A 46 3.049 8.108 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 46 4.915 10.305 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.143 11.190 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.617 9.553 -8.057 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.235 10.289 -6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.967 11.579 -6.970 1.00 0.00 H new ATOM 707 N ARG A 47 2.258 10.498 -4.210 1.00 0.00 N ATOM 708 CA ARG A 47 1.586 11.319 -3.206 1.00 0.00 C ATOM 709 C ARG A 47 1.472 10.561 -1.887 1.00 0.00 C ATOM 710 O ARG A 47 1.954 9.437 -1.755 1.00 0.00 O ATOM 711 CB ARG A 47 0.184 11.710 -3.683 1.00 0.00 C ATOM 712 CG ARG A 47 -0.614 10.450 -4.024 1.00 0.00 C ATOM 713 CD ARG A 47 -2.072 10.827 -4.295 1.00 0.00 C ATOM 714 NE ARG A 47 -2.160 11.788 -5.390 1.00 0.00 N ATOM 715 CZ ARG A 47 -3.338 12.226 -5.825 1.00 0.00 C ATOM 716 NH1 ARG A 47 -4.184 12.761 -4.987 1.00 0.00 N ATOM 717 NH2 ARG A 47 -3.648 12.121 -7.087 1.00 0.00 N ATOM 0 H ARG A 47 1.907 9.543 -4.285 1.00 0.00 H new ATOM 0 HA ARG A 47 2.180 12.220 -3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.329 12.279 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.254 12.356 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.185 9.961 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.558 9.738 -3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.644 9.933 -4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.517 11.252 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.305 12.129 -5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.941 12.843 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.088 13.097 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.987 11.703 -7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.552 12.457 -7.420 1.00 0.00 H new ATOM 731 N ALA A 48 0.826 11.192 -0.910 1.00 0.00 N ATOM 732 CA ALA A 48 0.650 10.572 0.400 1.00 0.00 C ATOM 733 C ALA A 48 -0.373 9.444 0.320 1.00 0.00 C ATOM 734 O ALA A 48 -1.351 9.524 -0.424 1.00 0.00 O ATOM 735 CB ALA A 48 0.173 11.605 1.423 1.00 0.00 C ATOM 0 H ALA A 48 0.419 12.123 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 48 1.613 10.170 0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.047 11.125 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.911 12.403 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.780 12.024 1.100 1.00 0.00 H new ATOM 741 N VAL A 49 -0.136 8.390 1.096 1.00 0.00 N ATOM 742 CA VAL A 49 -1.042 7.245 1.108 1.00 0.00 C ATOM 743 C VAL A 49 -1.283 6.770 2.546 1.00 0.00 C ATOM 744 O VAL A 49 -0.543 5.928 3.054 1.00 0.00 O ATOM 745 CB VAL A 49 -0.456 6.089 0.292 1.00 0.00 C ATOM 746 CG1 VAL A 49 -1.496 4.974 0.162 1.00 0.00 C ATOM 747 CG2 VAL A 49 -0.074 6.590 -1.102 1.00 0.00 C ATOM 0 H VAL A 49 0.667 8.305 1.719 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.987 7.558 0.665 1.00 0.00 H new ATOM 0 HB VAL A 49 0.430 5.704 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.078 4.152 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.770 4.615 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.382 5.360 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.343 5.767 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.960 6.977 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.668 7.384 -1.013 1.00 0.00 H new ATOM 757 N PRO A 50 -2.316 7.300 3.226 1.00 0.00 N ATOM 758 CA PRO A 50 -2.618 6.900 4.612 1.00 0.00 C ATOM 759 C PRO A 50 -3.377 5.577 4.690 1.00 0.00 C ATOM 760 O PRO A 50 -3.648 4.938 3.673 1.00 0.00 O ATOM 761 CB PRO A 50 -3.483 8.053 5.105 1.00 0.00 C ATOM 762 CG PRO A 50 -4.104 8.703 3.873 1.00 0.00 C ATOM 763 CD PRO A 50 -3.242 8.314 2.668 1.00 0.00 C ATOM 0 HA PRO A 50 -1.718 6.731 5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.257 7.692 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.884 8.774 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.131 8.364 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.139 9.787 3.987 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.845 7.905 1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.704 9.172 2.264 1.00 0.00 H new ATOM 771 N LEU A 51 -3.715 5.174 5.912 1.00 0.00 N ATOM 772 CA LEU A 51 -4.442 3.924 6.119 1.00 0.00 C ATOM 773 C LEU A 51 -5.797 3.968 5.421 1.00 0.00 C ATOM 774 O LEU A 51 -6.446 5.013 5.356 1.00 0.00 O ATOM 775 CB LEU A 51 -4.660 3.673 7.613 1.00 0.00 C ATOM 776 CG LEU A 51 -3.327 3.307 8.268 1.00 0.00 C ATOM 777 CD1 LEU A 51 -2.639 4.578 8.769 1.00 0.00 C ATOM 778 CD2 LEU A 51 -3.583 2.369 9.450 1.00 0.00 C ATOM 0 H LEU A 51 -3.500 5.688 6.766 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.844 3.116 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.077 4.562 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.381 2.868 7.756 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.687 2.810 7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.689 4.318 9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.459 5.249 7.929 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.278 5.074 9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.634 2.107 9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.222 2.868 10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.075 1.463 9.096 1.00 0.00 H new ATOM 790 N GLY A 52 -6.217 2.819 4.899 1.00 0.00 N ATOM 791 CA GLY A 52 -7.500 2.730 4.205 1.00 0.00 C ATOM 792 C GLY A 52 -7.453 3.481 2.880 1.00 0.00 C ATOM 793 O GLY A 52 -8.256 4.380 2.630 1.00 0.00 O ATOM 0 H GLY A 52 -5.694 1.944 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.750 1.684 4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.288 3.143 4.834 1.00 0.00 H new ATOM 797 N THR A 53 -6.501 3.100 2.032 1.00 0.00 N ATOM 798 CA THR A 53 -6.355 3.744 0.729 1.00 0.00 C ATOM 799 C THR A 53 -5.933 2.723 -0.323 1.00 0.00 C ATOM 800 O THR A 53 -4.879 2.097 -0.214 1.00 0.00 O ATOM 801 CB THR A 53 -5.305 4.856 0.795 1.00 0.00 C ATOM 802 OG1 THR A 53 -5.601 5.718 1.885 1.00 0.00 O ATOM 803 CG2 THR A 53 -5.323 5.654 -0.509 1.00 0.00 C ATOM 0 H THR A 53 -5.827 2.358 2.220 1.00 0.00 H new ATOM 0 HA THR A 53 -7.319 4.173 0.455 1.00 0.00 H new ATOM 0 HB THR A 53 -4.317 4.417 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.971 5.549 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.575 6.446 -0.461 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.097 4.991 -1.344 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.310 6.095 -0.652 1.00 0.00 H new ATOM 811 N THR A 54 -6.769 2.564 -1.344 1.00 0.00 N ATOM 812 CA THR A 54 -6.476 1.615 -2.415 1.00 0.00 C ATOM 813 C THR A 54 -5.210 2.027 -3.160 1.00 0.00 C ATOM 814 O THR A 54 -5.106 3.143 -3.669 1.00 0.00 O ATOM 815 CB THR A 54 -7.639 1.552 -3.409 1.00 0.00 C ATOM 816 OG1 THR A 54 -8.868 1.650 -2.703 1.00 0.00 O ATOM 817 CG2 THR A 54 -7.590 0.227 -4.171 1.00 0.00 C ATOM 0 H THR A 54 -7.646 3.073 -1.453 1.00 0.00 H new ATOM 0 HA THR A 54 -6.330 0.634 -1.963 1.00 0.00 H new ATOM 0 HB THR A 54 -7.559 2.378 -4.116 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.614 1.612 -3.338 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.418 0.183 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.647 0.153 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.670 -0.601 -3.467 1.00 0.00 H new ATOM 825 N LEU A 55 -4.249 1.109 -3.218 1.00 0.00 N ATOM 826 CA LEU A 55 -2.989 1.382 -3.903 1.00 0.00 C ATOM 827 C LEU A 55 -3.151 1.186 -5.407 1.00 0.00 C ATOM 828 O LEU A 55 -3.481 0.096 -5.874 1.00 0.00 O ATOM 829 CB LEU A 55 -1.890 0.446 -3.394 1.00 0.00 C ATOM 830 CG LEU A 55 -0.520 1.047 -3.712 1.00 0.00 C ATOM 831 CD1 LEU A 55 -0.187 2.131 -2.686 1.00 0.00 C ATOM 832 CD2 LEU A 55 0.543 -0.053 -3.654 1.00 0.00 C ATOM 0 H LEU A 55 -4.317 0.179 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.709 2.415 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.993 0.298 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.987 -0.534 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.538 1.485 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.789 2.559 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.944 2.914 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.168 1.694 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.520 0.373 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.560 -0.490 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.306 -0.826 -4.385 1.00 0.00 H new ATOM 844 N MET A 56 -2.917 2.257 -6.160 1.00 0.00 N ATOM 845 CA MET A 56 -3.042 2.196 -7.614 1.00 0.00 C ATOM 846 C MET A 56 -1.672 1.958 -8.259 1.00 0.00 C ATOM 847 O MET A 56 -0.641 2.283 -7.670 1.00 0.00 O ATOM 848 CB MET A 56 -3.627 3.502 -8.157 1.00 0.00 C ATOM 849 CG MET A 56 -5.151 3.467 -8.037 1.00 0.00 C ATOM 850 SD MET A 56 -5.867 4.776 -9.062 1.00 0.00 S ATOM 851 CE MET A 56 -7.534 4.084 -9.183 1.00 0.00 C ATOM 0 H MET A 56 -2.643 3.168 -5.793 1.00 0.00 H new ATOM 0 HA MET A 56 -3.709 1.370 -7.860 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.227 4.351 -7.602 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.337 3.638 -9.199 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.529 2.495 -8.353 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.448 3.601 -6.997 1.00 0.00 H new ATOM 0 HE1 MET A 56 -8.159 4.744 -9.785 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.487 3.101 -9.652 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.962 3.990 -8.185 1.00 0.00 H new ATOM 861 N PRO A 57 -1.639 1.389 -9.477 1.00 0.00 N ATOM 862 CA PRO A 57 -0.368 1.123 -10.176 1.00 0.00 C ATOM 863 C PRO A 57 0.191 2.361 -10.874 1.00 0.00 C ATOM 864 O PRO A 57 1.399 2.489 -11.068 1.00 0.00 O ATOM 865 CB PRO A 57 -0.772 0.063 -11.195 1.00 0.00 C ATOM 866 CG PRO A 57 -2.270 0.217 -11.431 1.00 0.00 C ATOM 867 CD PRO A 57 -2.847 0.977 -10.232 1.00 0.00 C ATOM 0 HA PRO A 57 0.426 0.814 -9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.220 0.193 -12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.541 -0.936 -10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.459 0.760 -12.357 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.745 -0.759 -11.532 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.437 1.837 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.501 0.345 -9.631 1.00 0.00 H new ATOM 875 N ASP A 58 -0.705 3.270 -11.247 1.00 0.00 N ATOM 876 CA ASP A 58 -0.294 4.498 -11.924 1.00 0.00 C ATOM 877 C ASP A 58 0.378 5.449 -10.938 1.00 0.00 C ATOM 878 O ASP A 58 1.282 6.203 -11.300 1.00 0.00 O ATOM 879 CB ASP A 58 -1.503 5.198 -12.546 1.00 0.00 C ATOM 880 CG ASP A 58 -2.572 5.412 -11.480 1.00 0.00 C ATOM 881 OD1 ASP A 58 -2.430 6.346 -10.707 1.00 0.00 O ATOM 882 OD2 ASP A 58 -3.516 4.640 -11.451 1.00 0.00 O ATOM 0 H ASP A 58 -1.710 3.183 -11.095 1.00 0.00 H new ATOM 0 HA ASP A 58 0.412 4.229 -12.710 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.203 6.155 -12.972 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.904 4.597 -13.363 1.00 0.00 H new ATOM 887 N MET A 59 -0.075 5.407 -9.689 1.00 0.00 N ATOM 888 CA MET A 59 0.487 6.272 -8.655 1.00 0.00 C ATOM 889 C MET A 59 1.875 5.785 -8.249 1.00 0.00 C ATOM 890 O MET A 59 2.761 6.580 -7.937 1.00 0.00 O ATOM 891 CB MET A 59 -0.416 6.288 -7.421 1.00 0.00 C ATOM 892 CG MET A 59 -1.660 7.131 -7.709 1.00 0.00 C ATOM 893 SD MET A 59 -2.298 7.815 -6.160 1.00 0.00 S ATOM 894 CE MET A 59 -2.536 6.243 -5.297 1.00 0.00 C ATOM 0 H MET A 59 -0.822 4.790 -9.369 1.00 0.00 H new ATOM 0 HA MET A 59 0.561 7.280 -9.063 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.706 5.271 -7.157 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.124 6.698 -6.567 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.414 7.937 -8.401 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.423 6.520 -8.190 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.062 6.419 -4.359 1.00 0.00 H new ATOM 0 HE2 MET A 59 -3.124 5.570 -5.922 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.566 5.791 -5.090 1.00 0.00 H new ATOM 904 N VAL A 60 2.053 4.468 -8.253 1.00 0.00 N ATOM 905 CA VAL A 60 3.338 3.881 -7.882 1.00 0.00 C ATOM 906 C VAL A 60 4.315 3.960 -9.053 1.00 0.00 C ATOM 907 O VAL A 60 4.132 3.305 -10.079 1.00 0.00 O ATOM 908 CB VAL A 60 3.163 2.416 -7.472 1.00 0.00 C ATOM 909 CG1 VAL A 60 4.482 1.879 -6.912 1.00 0.00 C ATOM 910 CG2 VAL A 60 2.077 2.311 -6.398 1.00 0.00 C ATOM 0 H VAL A 60 1.333 3.792 -8.506 1.00 0.00 H new ATOM 0 HA VAL A 60 3.735 4.445 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 60 2.872 1.830 -8.344 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.356 0.836 -6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.257 1.951 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.774 2.466 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.953 1.268 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.368 2.899 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.136 2.691 -6.794 1.00 0.00 H new ATOM 920 N LYS A 61 5.356 4.771 -8.883 1.00 0.00 N ATOM 921 CA LYS A 61 6.361 4.933 -9.930 1.00 0.00 C ATOM 922 C LYS A 61 7.213 3.674 -10.048 1.00 0.00 C ATOM 923 O LYS A 61 7.865 3.256 -9.091 1.00 0.00 O ATOM 924 CB LYS A 61 7.271 6.123 -9.620 1.00 0.00 C ATOM 925 CG LYS A 61 6.434 7.403 -9.560 1.00 0.00 C ATOM 926 CD LYS A 61 7.358 8.620 -9.622 1.00 0.00 C ATOM 927 CE LYS A 61 8.215 8.677 -8.356 1.00 0.00 C ATOM 928 NZ LYS A 61 9.016 9.934 -8.354 1.00 0.00 N ATOM 0 H LYS A 61 5.525 5.320 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 61 5.841 5.110 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.783 5.966 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.041 6.215 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.727 7.427 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.848 7.424 -8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.996 8.560 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.769 9.532 -9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.579 8.637 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.876 7.812 -8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.599 9.973 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.633 9.954 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.376 10.753 -8.376 1.00 0.00 H new ATOM 942 N GLY A 62 7.199 3.073 -11.235 1.00 0.00 N ATOM 943 CA GLY A 62 7.973 1.858 -11.473 1.00 0.00 C ATOM 944 C GLY A 62 7.051 0.653 -11.629 1.00 0.00 C ATOM 945 O GLY A 62 7.354 -0.288 -12.361 1.00 0.00 O ATOM 0 H GLY A 62 6.666 3.403 -12.040 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.579 1.977 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.661 1.691 -10.644 1.00 0.00 H new ATOM 949 N TYR A 63 5.919 0.696 -10.930 1.00 0.00 N ATOM 950 CA TYR A 63 4.953 -0.397 -10.996 1.00 0.00 C ATOM 951 C TYR A 63 4.057 -0.241 -12.220 1.00 0.00 C ATOM 952 O TYR A 63 3.578 0.853 -12.521 1.00 0.00 O ATOM 953 CB TYR A 63 4.081 -0.414 -9.738 1.00 0.00 C ATOM 954 CG TYR A 63 3.256 -1.678 -9.714 1.00 0.00 C ATOM 955 CD1 TYR A 63 3.799 -2.872 -9.169 1.00 0.00 C ATOM 956 CD2 TYR A 63 1.935 -1.671 -10.236 1.00 0.00 C ATOM 957 CE1 TYR A 63 3.021 -4.061 -9.147 1.00 0.00 C ATOM 958 CE2 TYR A 63 1.156 -2.859 -10.214 1.00 0.00 C ATOM 959 CZ TYR A 63 1.699 -4.054 -9.669 1.00 0.00 C ATOM 960 OH TYR A 63 0.943 -5.208 -9.647 1.00 0.00 O ATOM 0 H TYR A 63 5.650 1.467 -10.318 1.00 0.00 H new ATOM 0 HA TYR A 63 5.506 -1.334 -11.068 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.707 -0.359 -8.848 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.429 0.459 -9.723 1.00 0.00 H new ATOM 0 HD1 TYR A 63 4.803 -2.876 -8.771 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.523 -0.763 -10.650 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.434 -4.969 -8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.152 -2.854 -10.611 1.00 0.00 H new ATOM 0 HH TYR A 63 0.063 -5.030 -10.041 1.00 0.00 H new