USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 646 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: B 221 TYR OH : rot -127:sc= 0.462 USER MOD Set 1.2: B 245 THR OG1 : rot 83:sc= 1.76 USER MOD Set 2.1: B 214 SER OG : rot -65:sc= 1.06 USER MOD Set 2.2: B 215 ASN :FLIP amide:sc= 0.618 F(o=-6.4!,f=1.7) USER MOD Set 3.1: A 6 TYR OH : rot 165:sc= -1.77! USER MOD Set 3.2: B 212 ASN : amide:sc= -10.4! C(o=-12!,f=-13!) USER MOD Set 4.1: A 21 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 45 THR OG1 : rot 94:sc= 1 USER MOD Set 5.1: A 11 THR OG1 : rot 151:sc= -1.53! USER MOD Set 5.2: A 18 SER OG : rot 43:sc= 1.11 USER MOD Set 6.1: A 13 ASN : amide:sc= 0.0148 X(o=0.03,f=0.048) USER MOD Set 6.2: B 207 THR OG1 : rot -170:sc= 0.0155 USER MOD Set 7.1: A 12 ASN : amide:sc= -7.48! C(o=-7.7!,f=-13!) USER MOD Set 7.2: B 206 TYR OH : rot 180:sc= -0.193 USER MOD Set 8.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 8.2: B 213 ASN : amide:sc= 0 X(o=0,f=0.0074) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -2.13 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.585 X(o=-0.59,f=-0.51) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -94:sc= -0.798 USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0106) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.191 F(o=-0.7,f=-0.19) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 THR OG1 : rot 180:sc= -3.54! USER MOD Single : B 209 THR OG1 : rot 180:sc= 0 USER MOD Single : B 211 THR OG1 : rot 168:sc= -2.29 USER MOD Single : B 218 SER OG : rot 180:sc= 0 USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 225 THR OG1 : rot 180:sc= -1.15 USER MOD Single : B 227 MET CE :methyl -133:sc= -1.71 (180deg=-4.63!) USER MOD Single : B 228 THR OG1 : rot 180:sc= 0.017 USER MOD Single : B 240 LYS NZ :NH3+ -169:sc= -1.36 (180deg=-1.86!) USER MOD Single : B 244 ASN :FLIP amide:sc= -0.719 F(o=-1.4!,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 3 -0.800 -20.135 -6.433 1.00 0.00 N ATOM 26 CA LYS A 3 0.095 -19.819 -5.332 1.00 0.00 C ATOM 27 C LYS A 3 -0.516 -18.697 -4.489 1.00 0.00 C ATOM 28 O LYS A 3 -1.510 -18.090 -4.885 1.00 0.00 O ATOM 29 CB LYS A 3 1.497 -19.501 -5.855 1.00 0.00 C ATOM 30 CG LYS A 3 2.120 -20.723 -6.533 1.00 0.00 C ATOM 31 CD LYS A 3 1.654 -22.017 -5.864 1.00 0.00 C ATOM 32 CE LYS A 3 2.481 -23.212 -6.345 1.00 0.00 C ATOM 33 NZ LYS A 3 3.019 -23.967 -5.192 1.00 0.00 N ATOM 0 HA LYS A 3 0.212 -20.683 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.446 -18.674 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.131 -19.175 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.848 -20.736 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.207 -20.655 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.740 -21.922 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.600 -22.186 -6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.862 -23.866 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.300 -22.865 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.577 -24.774 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.626 -23.344 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.232 -24.314 -4.607 1.00 0.00 H new ATOM 47 N ALA A 4 0.103 -18.457 -3.343 1.00 0.00 N ATOM 48 CA ALA A 4 -0.369 -17.420 -2.441 1.00 0.00 C ATOM 49 C ALA A 4 0.568 -16.212 -2.527 1.00 0.00 C ATOM 50 O ALA A 4 1.577 -16.153 -1.827 1.00 0.00 O ATOM 51 CB ALA A 4 -0.466 -17.982 -1.022 1.00 0.00 C ATOM 0 H ALA A 4 0.927 -18.963 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.366 -17.086 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.820 -17.204 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.164 -18.819 -1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.517 -18.324 -0.698 1.00 0.00 H new ATOM 57 N THR A 5 0.199 -15.278 -3.392 1.00 0.00 N ATOM 58 CA THR A 5 0.993 -14.076 -3.578 1.00 0.00 C ATOM 59 C THR A 5 0.090 -12.842 -3.630 1.00 0.00 C ATOM 60 O THR A 5 -1.119 -12.962 -3.827 1.00 0.00 O ATOM 61 CB THR A 5 1.843 -14.260 -4.838 1.00 0.00 C ATOM 62 OG1 THR A 5 0.887 -14.342 -5.891 1.00 0.00 O ATOM 63 CG2 THR A 5 2.551 -15.616 -4.872 1.00 0.00 C ATOM 0 H THR A 5 -0.639 -15.330 -3.971 1.00 0.00 H new ATOM 0 HA THR A 5 1.665 -13.913 -2.736 1.00 0.00 H new ATOM 0 HB THR A 5 2.583 -13.462 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.351 -14.460 -6.746 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.140 -15.696 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.208 -15.705 -4.007 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.809 -16.414 -4.848 1.00 0.00 H new ATOM 71 N TYR A 6 0.709 -11.686 -3.452 1.00 0.00 N ATOM 72 CA TYR A 6 -0.023 -10.432 -3.476 1.00 0.00 C ATOM 73 C TYR A 6 0.733 -9.370 -4.276 1.00 0.00 C ATOM 74 O TYR A 6 1.957 -9.279 -4.192 1.00 0.00 O ATOM 75 CB TYR A 6 -0.129 -9.977 -2.019 1.00 0.00 C ATOM 76 CG TYR A 6 -1.418 -10.416 -1.321 1.00 0.00 C ATOM 77 CD1 TYR A 6 -1.699 -11.758 -1.172 1.00 0.00 C ATOM 78 CD2 TYR A 6 -2.300 -9.468 -0.841 1.00 0.00 C ATOM 79 CE1 TYR A 6 -2.912 -12.171 -0.516 1.00 0.00 C ATOM 80 CE2 TYR A 6 -3.513 -9.881 -0.185 1.00 0.00 C ATOM 81 CZ TYR A 6 -3.759 -11.212 -0.055 1.00 0.00 C ATOM 82 OH TYR A 6 -4.905 -11.602 0.565 1.00 0.00 O ATOM 0 H TYR A 6 1.712 -11.591 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.998 -10.567 -3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.724 -10.368 -1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.061 -8.890 -1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.009 -12.499 -1.548 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.080 -8.417 -0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.144 -13.219 -0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.212 -9.150 0.195 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.291 -10.842 1.048 1.00 0.00 H new ATOM 92 N THR A 7 -0.027 -8.591 -5.032 1.00 0.00 N ATOM 93 CA THR A 7 0.556 -7.539 -5.847 1.00 0.00 C ATOM 94 C THR A 7 0.147 -6.164 -5.315 1.00 0.00 C ATOM 95 O THR A 7 -1.014 -5.773 -5.426 1.00 0.00 O ATOM 96 CB THR A 7 0.138 -7.779 -7.300 1.00 0.00 C ATOM 97 OG1 THR A 7 0.388 -9.166 -7.508 1.00 0.00 O ATOM 98 CG2 THR A 7 1.062 -7.079 -8.298 1.00 0.00 C ATOM 0 H THR A 7 -1.042 -8.668 -5.097 1.00 0.00 H new ATOM 0 HA THR A 7 1.645 -7.560 -5.800 1.00 0.00 H new ATOM 0 HB THR A 7 -0.884 -7.430 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.143 -9.409 -8.425 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.721 -7.282 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.045 -6.004 -8.117 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.079 -7.452 -8.176 1.00 0.00 H new ATOM 106 N VAL A 8 1.122 -5.469 -4.750 1.00 0.00 N ATOM 107 CA VAL A 8 0.878 -4.147 -4.201 1.00 0.00 C ATOM 108 C VAL A 8 1.399 -3.090 -5.176 1.00 0.00 C ATOM 109 O VAL A 8 2.541 -3.164 -5.626 1.00 0.00 O ATOM 110 CB VAL A 8 1.502 -4.034 -2.809 1.00 0.00 C ATOM 111 CG1 VAL A 8 1.447 -2.593 -2.297 1.00 0.00 C ATOM 112 CG2 VAL A 8 0.826 -4.991 -1.824 1.00 0.00 C ATOM 0 H VAL A 8 2.084 -5.797 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.192 -3.977 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 8 2.550 -4.321 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.897 -2.542 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.996 -1.943 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.409 -2.266 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.289 -4.890 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.234 -4.749 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.941 -6.016 -2.176 1.00 0.00 H new ATOM 122 N THR A 9 0.535 -2.131 -5.476 1.00 0.00 N ATOM 123 CA THR A 9 0.893 -1.060 -6.391 1.00 0.00 C ATOM 124 C THR A 9 0.686 0.302 -5.725 1.00 0.00 C ATOM 125 O THR A 9 -0.411 0.607 -5.256 1.00 0.00 O ATOM 126 CB THR A 9 0.078 -1.241 -7.673 1.00 0.00 C ATOM 127 OG1 THR A 9 0.236 -2.620 -7.994 1.00 0.00 O ATOM 128 CG2 THR A 9 0.694 -0.508 -8.866 1.00 0.00 C ATOM 0 H THR A 9 -0.412 -2.073 -5.102 1.00 0.00 H new ATOM 0 HA THR A 9 1.950 -1.100 -6.653 1.00 0.00 H new ATOM 0 HB THR A 9 -0.938 -0.881 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.262 -2.824 -8.813 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.077 -0.669 -9.750 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.747 0.559 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.698 -0.891 -9.050 1.00 0.00 H new ATOM 136 N VAL A 10 1.755 1.084 -5.705 1.00 0.00 N ATOM 137 CA VAL A 10 1.703 2.407 -5.104 1.00 0.00 C ATOM 138 C VAL A 10 2.021 3.458 -6.169 1.00 0.00 C ATOM 139 O VAL A 10 3.058 3.387 -6.826 1.00 0.00 O ATOM 140 CB VAL A 10 2.645 2.471 -3.900 1.00 0.00 C ATOM 141 CG1 VAL A 10 3.121 3.904 -3.653 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.978 1.892 -2.651 1.00 0.00 C ATOM 0 H VAL A 10 2.662 0.828 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 10 0.702 2.618 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 10 3.520 1.861 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.789 3.922 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.652 4.268 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.261 4.545 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.669 1.950 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.078 2.463 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.711 0.851 -2.831 1.00 0.00 H new ATOM 152 N THR A 11 1.108 4.409 -6.307 1.00 0.00 N ATOM 153 CA THR A 11 1.278 5.473 -7.280 1.00 0.00 C ATOM 154 C THR A 11 1.027 6.836 -6.631 1.00 0.00 C ATOM 155 O THR A 11 0.141 6.971 -5.788 1.00 0.00 O ATOM 156 CB THR A 11 0.353 5.185 -8.463 1.00 0.00 C ATOM 157 OG1 THR A 11 0.864 3.976 -9.018 1.00 0.00 O ATOM 158 CG2 THR A 11 0.506 6.207 -9.591 1.00 0.00 C ATOM 0 H THR A 11 0.248 4.464 -5.761 1.00 0.00 H new ATOM 0 HA THR A 11 2.302 5.508 -7.651 1.00 0.00 H new ATOM 0 HB THR A 11 -0.681 5.177 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.135 3.477 -9.442 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.174 5.955 -10.405 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.268 7.202 -9.215 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.532 6.193 -9.958 1.00 0.00 H new ATOM 166 N ASN A 12 1.823 7.810 -7.047 1.00 0.00 N ATOM 167 CA ASN A 12 1.698 9.157 -6.516 1.00 0.00 C ATOM 168 C ASN A 12 0.942 10.028 -7.521 1.00 0.00 C ATOM 169 O ASN A 12 1.520 10.497 -8.500 1.00 0.00 O ATOM 170 CB ASN A 12 3.072 9.787 -6.284 1.00 0.00 C ATOM 171 CG ASN A 12 4.033 8.785 -5.644 1.00 0.00 C ATOM 172 OD1 ASN A 12 3.644 7.739 -5.149 1.00 0.00 O ATOM 173 ND2 ASN A 12 5.309 9.158 -5.680 1.00 0.00 N ATOM 0 H ASN A 12 2.557 7.693 -7.746 1.00 0.00 H new ATOM 0 HA ASN A 12 1.164 9.098 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.482 10.134 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.971 10.661 -5.641 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.028 8.556 -5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.569 10.046 -6.109 1.00 0.00 H new ATOM 180 N ASN A 13 -0.339 10.220 -7.244 1.00 0.00 N ATOM 181 CA ASN A 13 -1.180 11.027 -8.111 1.00 0.00 C ATOM 182 C ASN A 13 -0.637 12.457 -8.155 1.00 0.00 C ATOM 183 O ASN A 13 -1.036 13.251 -9.005 1.00 0.00 O ATOM 184 CB ASN A 13 -2.617 11.083 -7.590 1.00 0.00 C ATOM 185 CG ASN A 13 -3.566 10.315 -8.512 1.00 0.00 C ATOM 186 OD1 ASN A 13 -3.987 10.795 -9.551 1.00 0.00 O ATOM 187 ND2 ASN A 13 -3.878 9.099 -8.074 1.00 0.00 N ATOM 0 H ASN A 13 -0.815 9.830 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.174 10.574 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.660 10.661 -6.586 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.940 12.121 -7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.506 8.507 -8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.490 8.759 -7.194 1.00 0.00 H new ATOM 194 N SER A 14 0.266 12.742 -7.228 1.00 0.00 N ATOM 195 CA SER A 14 0.868 14.061 -7.149 1.00 0.00 C ATOM 196 C SER A 14 2.007 14.178 -8.162 1.00 0.00 C ATOM 197 O SER A 14 2.227 15.245 -8.735 1.00 0.00 O ATOM 198 CB SER A 14 1.381 14.350 -5.737 1.00 0.00 C ATOM 199 OG SER A 14 2.783 14.124 -5.623 1.00 0.00 O ATOM 0 H SER A 14 0.595 12.081 -6.525 1.00 0.00 H new ATOM 0 HA SER A 14 0.103 14.800 -7.386 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.158 15.384 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.853 13.719 -5.023 1.00 0.00 H new ATOM 0 HG SER A 14 3.073 14.321 -4.708 1.00 0.00 H new ATOM 205 N ASN A 15 2.702 13.066 -8.355 1.00 0.00 N ATOM 206 CA ASN A 15 3.814 13.030 -9.290 1.00 0.00 C ATOM 207 C ASN A 15 3.433 12.167 -10.495 1.00 0.00 C ATOM 208 O ASN A 15 4.218 12.021 -11.430 1.00 0.00 O ATOM 209 CB ASN A 15 5.057 12.416 -8.643 1.00 0.00 C ATOM 210 CG ASN A 15 6.300 13.260 -8.935 1.00 0.00 C ATOM 211 OD1 ASN A 15 6.285 14.478 -8.865 1.00 0.00 O ATOM 212 ND2 ASN A 15 7.372 12.547 -9.264 1.00 0.00 N ATOM 0 H ASN A 15 2.516 12.183 -7.879 1.00 0.00 H new ATOM 0 HA ASN A 15 4.033 14.054 -9.594 1.00 0.00 H new ATOM 0 HB2 ASN A 15 4.910 12.339 -7.566 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.204 11.403 -9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.252 13.017 -9.477 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.315 11.529 -9.304 1.00 0.00 H new ATOM 219 N GLY A 16 2.229 11.618 -10.432 1.00 0.00 N ATOM 220 CA GLY A 16 1.734 10.775 -11.507 1.00 0.00 C ATOM 221 C GLY A 16 2.638 9.555 -11.706 1.00 0.00 C ATOM 222 O GLY A 16 2.548 8.872 -12.724 1.00 0.00 O ATOM 0 H GLY A 16 1.582 11.740 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.719 10.448 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.684 11.350 -12.432 1.00 0.00 H new ATOM 226 N VAL A 17 3.487 9.320 -10.716 1.00 0.00 N ATOM 227 CA VAL A 17 4.405 8.196 -10.770 1.00 0.00 C ATOM 228 C VAL A 17 3.740 6.969 -10.142 1.00 0.00 C ATOM 229 O VAL A 17 3.061 7.081 -9.122 1.00 0.00 O ATOM 230 CB VAL A 17 5.729 8.568 -10.098 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.627 7.339 -9.937 1.00 0.00 C ATOM 232 CG2 VAL A 17 6.446 9.673 -10.875 1.00 0.00 C ATOM 0 H VAL A 17 3.558 9.889 -9.872 1.00 0.00 H new ATOM 0 HA VAL A 17 4.640 7.945 -11.804 1.00 0.00 H new ATOM 0 HB VAL A 17 5.504 8.950 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.561 7.631 -9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.120 6.596 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.841 6.913 -10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.384 9.919 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.653 9.330 -11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.813 10.560 -10.914 1.00 0.00 H new ATOM 242 N SER A 18 3.959 5.827 -10.776 1.00 0.00 N ATOM 243 CA SER A 18 3.388 4.581 -10.292 1.00 0.00 C ATOM 244 C SER A 18 4.505 3.593 -9.948 1.00 0.00 C ATOM 245 O SER A 18 5.620 3.711 -10.454 1.00 0.00 O ATOM 246 CB SER A 18 2.441 3.970 -11.327 1.00 0.00 C ATOM 247 OG SER A 18 1.933 2.707 -10.906 1.00 0.00 O ATOM 0 H SER A 18 4.524 5.738 -11.621 1.00 0.00 H new ATOM 0 HA SER A 18 2.811 4.796 -9.393 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.611 4.653 -11.507 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.967 3.852 -12.274 1.00 0.00 H new ATOM 0 HG SER A 18 1.683 2.754 -9.960 1.00 0.00 H new ATOM 253 N VAL A 19 4.167 2.643 -9.089 1.00 0.00 N ATOM 254 CA VAL A 19 5.127 1.636 -8.671 1.00 0.00 C ATOM 255 C VAL A 19 4.379 0.378 -8.224 1.00 0.00 C ATOM 256 O VAL A 19 3.522 0.441 -7.343 1.00 0.00 O ATOM 257 CB VAL A 19 6.042 2.205 -7.584 1.00 0.00 C ATOM 258 CG1 VAL A 19 6.546 1.097 -6.657 1.00 0.00 C ATOM 259 CG2 VAL A 19 7.210 2.977 -8.201 1.00 0.00 C ATOM 0 H VAL A 19 3.241 2.549 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 19 5.770 1.353 -9.504 1.00 0.00 H new ATOM 0 HB VAL A 19 5.458 2.903 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.194 1.528 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.697 0.609 -6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.107 0.364 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.845 3.371 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.793 2.309 -8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.825 3.802 -8.801 1.00 0.00 H new ATOM 269 N ASP A 20 4.730 -0.734 -8.852 1.00 0.00 N ATOM 270 CA ASP A 20 4.102 -2.005 -8.530 1.00 0.00 C ATOM 271 C ASP A 20 5.169 -2.986 -8.038 1.00 0.00 C ATOM 272 O ASP A 20 6.266 -3.044 -8.591 1.00 0.00 O ATOM 273 CB ASP A 20 3.431 -2.616 -9.763 1.00 0.00 C ATOM 274 CG ASP A 20 3.317 -1.680 -10.967 1.00 0.00 C ATOM 275 OD1 ASP A 20 4.381 -1.368 -11.546 1.00 0.00 O ATOM 276 OD2 ASP A 20 2.170 -1.297 -11.281 1.00 0.00 O ATOM 0 H ASP A 20 5.441 -0.782 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 20 3.350 -1.825 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.992 -3.501 -10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.431 -2.950 -9.486 1.00 0.00 H new ATOM 281 N TYR A 21 4.809 -3.730 -7.003 1.00 0.00 N ATOM 282 CA TYR A 21 5.722 -4.705 -6.430 1.00 0.00 C ATOM 283 C TYR A 21 4.976 -5.976 -6.015 1.00 0.00 C ATOM 284 O TYR A 21 3.982 -5.909 -5.295 1.00 0.00 O ATOM 285 CB TYR A 21 6.315 -4.046 -5.183 1.00 0.00 C ATOM 286 CG TYR A 21 7.721 -3.478 -5.389 1.00 0.00 C ATOM 287 CD1 TYR A 21 8.697 -4.251 -5.985 1.00 0.00 C ATOM 288 CD2 TYR A 21 8.013 -2.193 -4.978 1.00 0.00 C ATOM 289 CE1 TYR A 21 10.020 -3.716 -6.179 1.00 0.00 C ATOM 290 CE2 TYR A 21 9.336 -1.660 -5.172 1.00 0.00 C ATOM 291 CZ TYR A 21 10.274 -2.448 -5.762 1.00 0.00 C ATOM 292 OH TYR A 21 11.524 -1.943 -5.945 1.00 0.00 O ATOM 0 H TYR A 21 3.898 -3.678 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 21 6.485 -4.989 -7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.653 -3.242 -4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.345 -4.779 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.469 -5.257 -6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.250 -1.588 -4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.793 -4.309 -6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.578 -0.656 -4.856 1.00 0.00 H new ATOM 0 HH TYR A 21 11.928 -2.349 -6.740 1.00 0.00 H new ATOM 302 N GLU A 22 5.487 -7.104 -6.487 1.00 0.00 N ATOM 303 CA GLU A 22 4.883 -8.387 -6.174 1.00 0.00 C ATOM 304 C GLU A 22 5.493 -8.964 -4.895 1.00 0.00 C ATOM 305 O GLU A 22 6.670 -9.322 -4.871 1.00 0.00 O ATOM 306 CB GLU A 22 5.033 -9.364 -7.342 1.00 0.00 C ATOM 307 CG GLU A 22 4.591 -10.773 -6.940 1.00 0.00 C ATOM 308 CD GLU A 22 5.014 -11.801 -7.992 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.169 -11.695 -8.456 1.00 0.00 O ATOM 310 OE2 GLU A 22 4.173 -12.670 -8.305 1.00 0.00 O ATOM 0 H GLU A 22 6.313 -7.155 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 22 3.817 -8.233 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.437 -9.020 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.072 -9.385 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.027 -11.034 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.508 -10.797 -6.817 1.00 0.00 H new ATOM 317 N THR A 23 4.667 -9.036 -3.862 1.00 0.00 N ATOM 318 CA THR A 23 5.110 -9.563 -2.583 1.00 0.00 C ATOM 319 C THR A 23 4.051 -10.495 -1.994 1.00 0.00 C ATOM 320 O THR A 23 2.919 -10.080 -1.749 1.00 0.00 O ATOM 321 CB THR A 23 5.449 -8.378 -1.676 1.00 0.00 C ATOM 322 OG1 THR A 23 6.080 -8.975 -0.546 1.00 0.00 O ATOM 323 CG2 THR A 23 4.200 -7.709 -1.095 1.00 0.00 C ATOM 0 H THR A 23 3.692 -8.738 -3.885 1.00 0.00 H new ATOM 0 HA THR A 23 6.007 -10.172 -2.696 1.00 0.00 H new ATOM 0 HB THR A 23 6.026 -7.644 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.335 -8.277 0.093 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.496 -6.875 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.573 -7.341 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.640 -8.434 -0.504 1.00 0.00 H new ATOM 331 N GLU A 24 4.455 -11.739 -1.783 1.00 0.00 N ATOM 332 CA GLU A 24 3.554 -12.736 -1.228 1.00 0.00 C ATOM 333 C GLU A 24 3.616 -12.712 0.301 1.00 0.00 C ATOM 334 O GLU A 24 4.496 -13.328 0.899 1.00 0.00 O ATOM 335 CB GLU A 24 3.877 -14.129 -1.769 1.00 0.00 C ATOM 336 CG GLU A 24 5.357 -14.466 -1.569 1.00 0.00 C ATOM 337 CD GLU A 24 6.081 -14.568 -2.913 1.00 0.00 C ATOM 338 OE1 GLU A 24 5.484 -15.161 -3.838 1.00 0.00 O ATOM 339 OE2 GLU A 24 7.217 -14.051 -2.986 1.00 0.00 O ATOM 0 H GLU A 24 5.395 -12.080 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 24 2.537 -12.491 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.260 -14.872 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.629 -14.178 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.829 -13.699 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.450 -15.408 -1.029 1.00 0.00 H new ATOM 346 N THR A 25 2.668 -11.996 0.889 1.00 0.00 N ATOM 347 CA THR A 25 2.604 -11.885 2.336 1.00 0.00 C ATOM 348 C THR A 25 1.176 -12.135 2.827 1.00 0.00 C ATOM 349 O THR A 25 0.271 -11.355 2.536 1.00 0.00 O ATOM 350 CB THR A 25 3.151 -10.512 2.730 1.00 0.00 C ATOM 351 OG1 THR A 25 2.459 -9.605 1.875 1.00 0.00 O ATOM 352 CG2 THR A 25 4.622 -10.335 2.347 1.00 0.00 C ATOM 0 H THR A 25 1.939 -11.487 0.389 1.00 0.00 H new ATOM 0 HA THR A 25 3.218 -12.645 2.819 1.00 0.00 H new ATOM 0 HB THR A 25 3.036 -10.371 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.752 -8.689 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.960 -9.344 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.223 -11.092 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.733 -10.443 1.268 1.00 0.00 H new ATOM 360 N PRO A 26 1.016 -13.253 3.583 1.00 0.00 N ATOM 361 CA PRO A 26 -0.286 -13.616 4.118 1.00 0.00 C ATOM 362 C PRO A 26 -0.661 -12.720 5.300 1.00 0.00 C ATOM 363 O PRO A 26 -1.318 -11.696 5.123 1.00 0.00 O ATOM 364 CB PRO A 26 -0.160 -15.081 4.498 1.00 0.00 C ATOM 365 CG PRO A 26 1.331 -15.361 4.597 1.00 0.00 C ATOM 366 CD PRO A 26 2.066 -14.201 3.948 1.00 0.00 C ATOM 0 HA PRO A 26 -1.092 -13.474 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.659 -15.283 5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.628 -15.720 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.631 -15.468 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.578 -16.297 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.783 -13.752 4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.626 -14.528 3.072 1.00 0.00 H new ATOM 374 N MET A 27 -0.227 -13.140 6.479 1.00 0.00 N ATOM 375 CA MET A 27 -0.510 -12.389 7.691 1.00 0.00 C ATOM 376 C MET A 27 0.338 -11.118 7.758 1.00 0.00 C ATOM 377 O MET A 27 -0.070 -10.126 8.361 1.00 0.00 O ATOM 378 CB MET A 27 -0.218 -13.263 8.912 1.00 0.00 C ATOM 379 CG MET A 27 -1.158 -14.470 8.961 1.00 0.00 C ATOM 380 SD MET A 27 -2.217 -14.363 10.394 1.00 0.00 S ATOM 381 CE MET A 27 -3.815 -14.363 9.598 1.00 0.00 C ATOM 0 H MET A 27 0.318 -13.990 6.621 1.00 0.00 H new ATOM 0 HA MET A 27 -1.561 -12.102 7.682 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.817 -13.605 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.331 -12.673 9.821 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.762 -14.508 8.054 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.578 -15.392 8.996 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.598 -14.300 10.354 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.888 -13.506 8.928 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.936 -15.282 9.025 1.00 0.00 H new ATOM 391 N THR A 28 1.504 -11.188 7.132 1.00 0.00 N ATOM 392 CA THR A 28 2.413 -10.056 7.113 1.00 0.00 C ATOM 393 C THR A 28 1.682 -8.792 6.651 1.00 0.00 C ATOM 394 O THR A 28 1.997 -7.691 7.100 1.00 0.00 O ATOM 395 CB THR A 28 3.608 -10.422 6.230 1.00 0.00 C ATOM 396 OG1 THR A 28 3.236 -11.666 5.642 1.00 0.00 O ATOM 397 CG2 THR A 28 4.858 -10.755 7.046 1.00 0.00 C ATOM 0 H THR A 28 1.840 -12.012 6.634 1.00 0.00 H new ATOM 0 HA THR A 28 2.785 -9.833 8.113 1.00 0.00 H new ATOM 0 HB THR A 28 3.826 -9.596 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.593 -12.402 6.181 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.676 -11.008 6.372 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.139 -9.892 7.650 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.651 -11.603 7.699 1.00 0.00 H new ATOM 405 N LEU A 29 0.722 -8.995 5.762 1.00 0.00 N ATOM 406 CA LEU A 29 -0.056 -7.887 5.235 1.00 0.00 C ATOM 407 C LEU A 29 -0.661 -7.096 6.397 1.00 0.00 C ATOM 408 O LEU A 29 -0.761 -5.871 6.334 1.00 0.00 O ATOM 409 CB LEU A 29 -1.092 -8.390 4.229 1.00 0.00 C ATOM 410 CG LEU A 29 -0.578 -8.657 2.812 1.00 0.00 C ATOM 411 CD1 LEU A 29 -1.533 -9.574 2.047 1.00 0.00 C ATOM 412 CD2 LEU A 29 -0.321 -7.345 2.067 1.00 0.00 C ATOM 0 H LEU A 29 0.465 -9.910 5.393 1.00 0.00 H new ATOM 0 HA LEU A 29 0.585 -7.201 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.527 -9.312 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.897 -7.658 4.170 1.00 0.00 H new ATOM 0 HG LEU A 29 0.377 -9.177 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.145 -9.748 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.622 -10.525 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.514 -9.103 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.043 -7.562 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.248 -6.776 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.425 -6.761 2.606 1.00 0.00 H new ATOM 424 N LEU A 30 -1.048 -7.828 7.431 1.00 0.00 N ATOM 425 CA LEU A 30 -1.640 -7.210 8.606 1.00 0.00 C ATOM 426 C LEU A 30 -0.529 -6.672 9.509 1.00 0.00 C ATOM 427 O LEU A 30 -0.757 -5.762 10.304 1.00 0.00 O ATOM 428 CB LEU A 30 -2.583 -8.189 9.308 1.00 0.00 C ATOM 429 CG LEU A 30 -3.530 -8.978 8.401 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.523 -9.797 9.226 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.235 -8.051 7.408 1.00 0.00 C ATOM 0 H LEU A 30 -0.963 -8.843 7.480 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.257 -6.359 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.981 -8.898 9.876 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.182 -7.632 10.028 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.938 -9.684 7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.184 -10.348 8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.979 -10.499 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.115 -9.129 9.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.902 -8.636 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.813 -7.306 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.492 -7.550 6.787 1.00 0.00 H new ATOM 443 N VAL A 31 0.650 -7.256 9.354 1.00 0.00 N ATOM 444 CA VAL A 31 1.798 -6.845 10.145 1.00 0.00 C ATOM 445 C VAL A 31 2.185 -5.413 9.771 1.00 0.00 C ATOM 446 O VAL A 31 2.237 -5.069 8.592 1.00 0.00 O ATOM 447 CB VAL A 31 2.944 -7.842 9.960 1.00 0.00 C ATOM 448 CG1 VAL A 31 4.197 -7.382 10.709 1.00 0.00 C ATOM 449 CG2 VAL A 31 2.526 -9.246 10.402 1.00 0.00 C ATOM 0 H VAL A 31 0.835 -8.010 8.693 1.00 0.00 H new ATOM 0 HA VAL A 31 1.551 -6.847 11.207 1.00 0.00 H new ATOM 0 HB VAL A 31 3.184 -7.883 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.996 -8.108 10.561 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.513 -6.411 10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.975 -7.299 11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.359 -9.935 10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.246 -9.228 11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.676 -9.577 9.806 1.00 0.00 H new ATOM 459 N PRO A 32 2.453 -4.597 10.825 1.00 0.00 N ATOM 460 CA PRO A 32 2.833 -3.209 10.619 1.00 0.00 C ATOM 461 C PRO A 32 4.277 -3.103 10.126 1.00 0.00 C ATOM 462 O PRO A 32 4.576 -2.315 9.231 1.00 0.00 O ATOM 463 CB PRO A 32 2.614 -2.536 11.964 1.00 0.00 C ATOM 464 CG PRO A 32 2.565 -3.659 12.988 1.00 0.00 C ATOM 465 CD PRO A 32 2.400 -4.970 12.235 1.00 0.00 C ATOM 0 HA PRO A 32 2.241 -2.722 9.844 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.421 -1.838 12.188 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.687 -1.963 11.968 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.478 -3.673 13.583 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.736 -3.509 13.680 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.192 -5.674 12.488 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.454 -5.452 12.482 1.00 0.00 H new ATOM 473 N GLU A 33 5.135 -3.911 10.731 1.00 0.00 N ATOM 474 CA GLU A 33 6.542 -3.920 10.365 1.00 0.00 C ATOM 475 C GLU A 33 6.701 -4.249 8.880 1.00 0.00 C ATOM 476 O GLU A 33 7.554 -3.677 8.202 1.00 0.00 O ATOM 477 CB GLU A 33 7.329 -4.903 11.233 1.00 0.00 C ATOM 478 CG GLU A 33 6.867 -4.841 12.690 1.00 0.00 C ATOM 479 CD GLU A 33 7.981 -5.287 13.638 1.00 0.00 C ATOM 480 OE1 GLU A 33 8.217 -6.514 13.698 1.00 0.00 O ATOM 481 OE2 GLU A 33 8.572 -4.393 14.281 1.00 0.00 O ATOM 0 H GLU A 33 4.883 -4.565 11.473 1.00 0.00 H new ATOM 0 HA GLU A 33 6.950 -2.925 10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.200 -5.915 10.850 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.393 -4.673 11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.561 -3.824 12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.993 -5.478 12.825 1.00 0.00 H new ATOM 488 N VAL A 34 5.868 -5.168 8.417 1.00 0.00 N ATOM 489 CA VAL A 34 5.906 -5.580 7.024 1.00 0.00 C ATOM 490 C VAL A 34 5.132 -4.569 6.176 1.00 0.00 C ATOM 491 O VAL A 34 5.603 -4.151 5.119 1.00 0.00 O ATOM 492 CB VAL A 34 5.373 -7.008 6.886 1.00 0.00 C ATOM 493 CG1 VAL A 34 5.216 -7.395 5.414 1.00 0.00 C ATOM 494 CG2 VAL A 34 6.273 -8.003 7.622 1.00 0.00 C ATOM 0 H VAL A 34 5.162 -5.640 8.982 1.00 0.00 H new ATOM 0 HA VAL A 34 6.933 -5.593 6.658 1.00 0.00 H new ATOM 0 HB VAL A 34 4.387 -7.043 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.836 -8.414 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.516 -6.713 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.184 -7.334 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.872 -9.010 7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.278 -7.963 7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.311 -7.745 8.680 1.00 0.00 H new ATOM 504 N ALA A 35 3.958 -4.205 6.671 1.00 0.00 N ATOM 505 CA ALA A 35 3.114 -3.251 5.972 1.00 0.00 C ATOM 506 C ALA A 35 3.852 -1.916 5.854 1.00 0.00 C ATOM 507 O ALA A 35 3.908 -1.326 4.776 1.00 0.00 O ATOM 508 CB ALA A 35 1.778 -3.116 6.706 1.00 0.00 C ATOM 0 H ALA A 35 3.571 -4.554 7.548 1.00 0.00 H new ATOM 0 HA ALA A 35 2.897 -3.599 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.145 -2.400 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.281 -4.085 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.955 -2.766 7.723 1.00 0.00 H new ATOM 514 N ALA A 36 4.398 -1.477 6.979 1.00 0.00 N ATOM 515 CA ALA A 36 5.130 -0.222 7.015 1.00 0.00 C ATOM 516 C ALA A 36 6.289 -0.283 6.019 1.00 0.00 C ATOM 517 O ALA A 36 6.469 0.629 5.214 1.00 0.00 O ATOM 518 CB ALA A 36 5.604 0.052 8.445 1.00 0.00 C ATOM 0 H ALA A 36 4.348 -1.968 7.872 1.00 0.00 H new ATOM 0 HA ALA A 36 4.486 0.606 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.153 0.993 8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.741 0.116 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.255 -0.758 8.774 1.00 0.00 H new ATOM 524 N GLU A 37 7.047 -1.367 6.106 1.00 0.00 N ATOM 525 CA GLU A 37 8.182 -1.560 5.221 1.00 0.00 C ATOM 526 C GLU A 37 7.714 -1.665 3.769 1.00 0.00 C ATOM 527 O GLU A 37 8.404 -1.216 2.856 1.00 0.00 O ATOM 528 CB GLU A 37 8.992 -2.793 5.628 1.00 0.00 C ATOM 529 CG GLU A 37 10.037 -2.438 6.688 1.00 0.00 C ATOM 530 CD GLU A 37 11.344 -1.982 6.038 1.00 0.00 C ATOM 531 OE1 GLU A 37 11.880 -2.770 5.227 1.00 0.00 O ATOM 532 OE2 GLU A 37 11.779 -0.857 6.365 1.00 0.00 O ATOM 0 H GLU A 37 6.896 -2.121 6.777 1.00 0.00 H new ATOM 0 HA GLU A 37 8.836 -0.692 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.322 -3.561 6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.486 -3.213 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.652 -1.648 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.225 -3.304 7.323 1.00 0.00 H new ATOM 539 N VAL A 38 6.543 -2.263 3.601 1.00 0.00 N ATOM 540 CA VAL A 38 5.974 -2.434 2.275 1.00 0.00 C ATOM 541 C VAL A 38 5.563 -1.068 1.721 1.00 0.00 C ATOM 542 O VAL A 38 5.901 -0.728 0.588 1.00 0.00 O ATOM 543 CB VAL A 38 4.814 -3.431 2.329 1.00 0.00 C ATOM 544 CG1 VAL A 38 3.668 -2.986 1.418 1.00 0.00 C ATOM 545 CG2 VAL A 38 5.285 -4.841 1.969 1.00 0.00 C ATOM 0 H VAL A 38 5.973 -2.635 4.361 1.00 0.00 H new ATOM 0 HA VAL A 38 6.714 -2.852 1.592 1.00 0.00 H new ATOM 0 HB VAL A 38 4.440 -3.455 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.856 -3.711 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.306 -2.010 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.025 -2.920 0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.441 -5.529 2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.698 -4.840 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.052 -5.160 2.675 1.00 0.00 H new ATOM 555 N ILE A 39 4.843 -0.323 2.546 1.00 0.00 N ATOM 556 CA ILE A 39 4.383 0.999 2.152 1.00 0.00 C ATOM 557 C ILE A 39 5.593 1.910 1.934 1.00 0.00 C ATOM 558 O ILE A 39 5.672 2.611 0.926 1.00 0.00 O ATOM 559 CB ILE A 39 3.379 1.541 3.170 1.00 0.00 C ATOM 560 CG1 ILE A 39 2.083 0.729 3.148 1.00 0.00 C ATOM 561 CG2 ILE A 39 3.125 3.034 2.947 1.00 0.00 C ATOM 562 CD1 ILE A 39 1.206 1.127 1.960 1.00 0.00 C ATOM 0 H ILE A 39 4.566 -0.609 3.485 1.00 0.00 H new ATOM 0 HA ILE A 39 3.846 0.950 1.205 1.00 0.00 H new ATOM 0 HB ILE A 39 3.809 1.433 4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.317 -0.334 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.536 0.886 4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.407 3.395 3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.061 3.582 3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.725 3.189 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.291 0.534 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.954 2.185 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.747 0.946 1.031 1.00 0.00 H new ATOM 574 N LYS A 40 6.504 1.871 2.895 1.00 0.00 N ATOM 575 CA LYS A 40 7.705 2.686 2.821 1.00 0.00 C ATOM 576 C LYS A 40 8.565 2.212 1.647 1.00 0.00 C ATOM 577 O LYS A 40 9.078 3.026 0.880 1.00 0.00 O ATOM 578 CB LYS A 40 8.440 2.680 4.163 1.00 0.00 C ATOM 579 CG LYS A 40 9.955 2.737 3.959 1.00 0.00 C ATOM 580 CD LYS A 40 10.574 1.341 4.048 1.00 0.00 C ATOM 581 CE LYS A 40 12.024 1.351 3.562 1.00 0.00 C ATOM 582 NZ LYS A 40 12.875 2.134 4.485 1.00 0.00 N ATOM 0 H LYS A 40 6.435 1.288 3.729 1.00 0.00 H new ATOM 0 HA LYS A 40 7.448 3.728 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.118 3.532 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.178 1.781 4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.178 3.176 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.403 3.386 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.535 0.987 5.078 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.991 0.642 3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.397 0.329 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.075 1.778 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.864 2.088 4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.559 3.125 4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.800 1.740 5.445 1.00 0.00 H new ATOM 596 N ASP A 41 8.696 0.898 1.544 1.00 0.00 N ATOM 597 CA ASP A 41 9.486 0.306 0.476 1.00 0.00 C ATOM 598 C ASP A 41 8.941 0.775 -0.874 1.00 0.00 C ATOM 599 O ASP A 41 9.707 1.141 -1.764 1.00 0.00 O ATOM 600 CB ASP A 41 9.406 -1.221 0.514 1.00 0.00 C ATOM 601 CG ASP A 41 9.923 -1.927 -0.741 1.00 0.00 C ATOM 602 OD1 ASP A 41 11.163 -2.011 -0.874 1.00 0.00 O ATOM 603 OD2 ASP A 41 9.067 -2.364 -1.539 1.00 0.00 O ATOM 0 H ASP A 41 8.269 0.226 2.182 1.00 0.00 H new ATOM 0 HA ASP A 41 10.522 0.616 0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.973 -1.578 1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.368 -1.512 0.674 1.00 0.00 H new ATOM 608 N LEU A 42 7.621 0.748 -0.985 1.00 0.00 N ATOM 609 CA LEU A 42 6.964 1.165 -2.213 1.00 0.00 C ATOM 610 C LEU A 42 7.233 2.653 -2.449 1.00 0.00 C ATOM 611 O LEU A 42 7.708 3.040 -3.515 1.00 0.00 O ATOM 612 CB LEU A 42 5.478 0.807 -2.174 1.00 0.00 C ATOM 613 CG LEU A 42 5.114 -0.604 -2.640 1.00 0.00 C ATOM 614 CD1 LEU A 42 4.516 -1.423 -1.495 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.188 -0.558 -3.857 1.00 0.00 C ATOM 0 H LEU A 42 6.988 0.444 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 42 7.375 0.627 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.121 0.934 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.936 1.523 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 42 6.029 -1.107 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.266 -2.422 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.241 -1.499 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.614 -0.933 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.945 -1.574 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.271 -0.029 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.687 -0.038 -4.675 1.00 0.00 H new ATOM 627 N VAL A 43 6.917 3.447 -1.436 1.00 0.00 N ATOM 628 CA VAL A 43 7.117 4.883 -1.520 1.00 0.00 C ATOM 629 C VAL A 43 8.591 5.171 -1.818 1.00 0.00 C ATOM 630 O VAL A 43 8.906 5.956 -2.711 1.00 0.00 O ATOM 631 CB VAL A 43 6.623 5.557 -0.239 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.503 6.755 0.125 1.00 0.00 C ATOM 633 CG2 VAL A 43 5.157 5.973 -0.369 1.00 0.00 C ATOM 0 H VAL A 43 6.524 3.122 -0.553 1.00 0.00 H new ATOM 0 HA VAL A 43 6.531 5.303 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 43 6.695 4.831 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.130 7.216 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.528 6.419 0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.478 7.484 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.831 6.450 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.050 6.674 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.544 5.092 -0.559 1.00 0.00 H new ATOM 643 N ASN A 44 9.455 4.522 -1.051 1.00 0.00 N ATOM 644 CA ASN A 44 10.886 4.698 -1.220 1.00 0.00 C ATOM 645 C ASN A 44 11.266 4.389 -2.670 1.00 0.00 C ATOM 646 O ASN A 44 12.161 5.020 -3.229 1.00 0.00 O ATOM 647 CB ASN A 44 11.670 3.746 -0.313 1.00 0.00 C ATOM 648 CG ASN A 44 12.221 4.484 0.909 1.00 0.00 C ATOM 649 OD1 ASN A 44 11.283 4.933 1.738 1.00 0.00 O flip ATOM 650 ND2 ASN A 44 13.419 4.635 1.087 1.00 0.00 N flip ATOM 0 H ASN A 44 9.190 3.873 -0.310 1.00 0.00 H new ATOM 0 HA ASN A 44 11.132 5.728 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.023 2.931 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.491 3.298 -0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.086 4.264 0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.753 5.132 1.913 1.00 0.00 H new ATOM 657 N THR A 45 10.565 3.418 -3.237 1.00 0.00 N ATOM 658 CA THR A 45 10.818 3.017 -4.611 1.00 0.00 C ATOM 659 C THR A 45 10.272 4.067 -5.581 1.00 0.00 C ATOM 660 O THR A 45 10.937 4.425 -6.552 1.00 0.00 O ATOM 661 CB THR A 45 10.212 1.627 -4.816 1.00 0.00 C ATOM 662 OG1 THR A 45 11.037 0.770 -4.032 1.00 0.00 O ATOM 663 CG2 THR A 45 10.396 1.114 -6.247 1.00 0.00 C ATOM 0 H THR A 45 9.822 2.897 -2.770 1.00 0.00 H new ATOM 0 HA THR A 45 11.887 2.955 -4.816 1.00 0.00 H new ATOM 0 HB THR A 45 9.150 1.654 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.639 0.656 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.948 0.124 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.911 1.798 -6.944 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.460 1.054 -6.478 1.00 0.00 H new ATOM 925 N LYS B 203 -2.583 18.098 -7.220 1.00 0.00 N ATOM 926 CA LYS B 203 -3.015 17.639 -5.911 1.00 0.00 C ATOM 927 C LYS B 203 -2.070 16.541 -5.422 1.00 0.00 C ATOM 928 O LYS B 203 -1.444 15.852 -6.227 1.00 0.00 O ATOM 929 CB LYS B 203 -4.484 17.214 -5.951 1.00 0.00 C ATOM 930 CG LYS B 203 -5.188 17.551 -4.635 1.00 0.00 C ATOM 931 CD LYS B 203 -6.703 17.636 -4.830 1.00 0.00 C ATOM 932 CE LYS B 203 -7.221 19.037 -4.499 1.00 0.00 C ATOM 933 NZ LYS B 203 -8.198 19.483 -5.517 1.00 0.00 N ATOM 0 HA LYS B 203 -2.961 18.451 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS B 203 -4.989 17.715 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS B 203 -4.551 16.143 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -4.956 16.791 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -4.813 18.500 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -6.955 17.385 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -7.197 16.902 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -7.688 19.035 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -6.388 19.738 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -8.539 20.436 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -7.741 19.504 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -9.001 18.823 -5.540 1.00 0.00 H new ATOM 947 N ALA B 204 -1.995 16.411 -4.106 1.00 0.00 N ATOM 948 CA ALA B 204 -1.135 15.407 -3.501 1.00 0.00 C ATOM 949 C ALA B 204 -1.990 14.231 -3.023 1.00 0.00 C ATOM 950 O ALA B 204 -2.721 14.350 -2.040 1.00 0.00 O ATOM 951 CB ALA B 204 -0.329 16.042 -2.366 1.00 0.00 C ATOM 0 H ALA B 204 -2.515 16.984 -3.441 1.00 0.00 H new ATOM 0 HA ALA B 204 -0.422 15.022 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA B 204 0.316 15.289 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA B 204 0.283 16.852 -2.763 1.00 0.00 H new ATOM 0 HB3 ALA B 204 -1.010 16.438 -1.613 1.00 0.00 H new ATOM 957 N THR B 205 -1.870 13.124 -3.740 1.00 0.00 N ATOM 958 CA THR B 205 -2.623 11.928 -3.400 1.00 0.00 C ATOM 959 C THR B 205 -1.823 10.674 -3.762 1.00 0.00 C ATOM 960 O THR B 205 -0.867 10.744 -4.533 1.00 0.00 O ATOM 961 CB THR B 205 -3.978 12.007 -4.104 1.00 0.00 C ATOM 962 OG1 THR B 205 -3.648 12.259 -5.467 1.00 0.00 O ATOM 963 CG2 THR B 205 -4.786 13.237 -3.683 1.00 0.00 C ATOM 0 H THR B 205 -1.263 13.029 -4.554 1.00 0.00 H new ATOM 0 HA THR B 205 -2.801 11.864 -2.327 1.00 0.00 H new ATOM 0 HB THR B 205 -4.551 11.105 -3.889 1.00 0.00 H new ATOM 0 HG1 THR B 205 -4.470 12.323 -5.996 1.00 0.00 H new ATOM 0 HG21 THR B 205 -5.739 13.245 -4.212 1.00 0.00 H new ATOM 0 HG22 THR B 205 -4.968 13.203 -2.609 1.00 0.00 H new ATOM 0 HG23 THR B 205 -4.228 14.140 -3.928 1.00 0.00 H new ATOM 971 N TYR B 206 -2.244 9.557 -3.188 1.00 0.00 N ATOM 972 CA TYR B 206 -1.580 8.290 -3.440 1.00 0.00 C ATOM 973 C TYR B 206 -2.599 7.168 -3.651 1.00 0.00 C ATOM 974 O TYR B 206 -3.669 7.175 -3.045 1.00 0.00 O ATOM 975 CB TYR B 206 -0.758 7.987 -2.185 1.00 0.00 C ATOM 976 CG TYR B 206 0.746 8.210 -2.357 1.00 0.00 C ATOM 977 CD1 TYR B 206 1.266 9.487 -2.294 1.00 0.00 C ATOM 978 CD2 TYR B 206 1.582 7.134 -2.574 1.00 0.00 C ATOM 979 CE1 TYR B 206 2.681 9.696 -2.456 1.00 0.00 C ATOM 980 CE2 TYR B 206 2.998 7.344 -2.735 1.00 0.00 C ATOM 981 CZ TYR B 206 3.477 8.614 -2.668 1.00 0.00 C ATOM 982 OH TYR B 206 4.814 8.812 -2.821 1.00 0.00 O ATOM 0 H TYR B 206 -3.037 9.503 -2.549 1.00 0.00 H new ATOM 0 HA TYR B 206 -0.965 8.352 -4.338 1.00 0.00 H new ATOM 0 HB2 TYR B 206 -1.117 8.613 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR B 206 -0.930 6.951 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR B 206 0.612 10.329 -2.123 1.00 0.00 H new ATOM 0 HD2 TYR B 206 1.175 6.135 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR B 206 3.101 10.690 -2.410 1.00 0.00 H new ATOM 0 HE2 TYR B 206 3.664 6.511 -2.905 1.00 0.00 H new ATOM 0 HH TYR B 206 5.258 7.950 -2.965 1.00 0.00 H new ATOM 992 N THR B 207 -2.230 6.230 -4.511 1.00 0.00 N ATOM 993 CA THR B 207 -3.099 5.105 -4.809 1.00 0.00 C ATOM 994 C THR B 207 -2.382 3.786 -4.513 1.00 0.00 C ATOM 995 O THR B 207 -1.469 3.395 -5.238 1.00 0.00 O ATOM 996 CB THR B 207 -3.557 5.233 -6.263 1.00 0.00 C ATOM 997 OG1 THR B 207 -3.914 6.607 -6.394 1.00 0.00 O ATOM 998 CG2 THR B 207 -4.862 4.482 -6.534 1.00 0.00 C ATOM 0 H THR B 207 -1.341 6.226 -5.011 1.00 0.00 H new ATOM 0 HA THR B 207 -3.984 5.109 -4.173 1.00 0.00 H new ATOM 0 HB THR B 207 -2.777 4.855 -6.924 1.00 0.00 H new ATOM 0 HG1 THR B 207 -4.368 6.747 -7.251 1.00 0.00 H new ATOM 0 HG21 THR B 207 -5.142 4.605 -7.580 1.00 0.00 H new ATOM 0 HG22 THR B 207 -4.724 3.423 -6.318 1.00 0.00 H new ATOM 0 HG23 THR B 207 -5.651 4.882 -5.897 1.00 0.00 H new ATOM 1006 N VAL B 208 -2.824 3.136 -3.446 1.00 0.00 N ATOM 1007 CA VAL B 208 -2.238 1.869 -3.045 1.00 0.00 C ATOM 1008 C VAL B 208 -3.170 0.727 -3.452 1.00 0.00 C ATOM 1009 O VAL B 208 -4.263 0.588 -2.904 1.00 0.00 O ATOM 1010 CB VAL B 208 -1.932 1.885 -1.545 1.00 0.00 C ATOM 1011 CG1 VAL B 208 -1.652 0.473 -1.028 1.00 0.00 C ATOM 1012 CG2 VAL B 208 -0.766 2.824 -1.234 1.00 0.00 C ATOM 0 H VAL B 208 -3.582 3.464 -2.847 1.00 0.00 H new ATOM 0 HA VAL B 208 -1.288 1.710 -3.556 1.00 0.00 H new ATOM 0 HB VAL B 208 -2.813 2.263 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -1.438 0.512 0.040 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -2.525 -0.157 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -0.794 0.056 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -0.569 2.817 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL B 208 0.123 2.489 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -1.020 3.836 -1.550 1.00 0.00 H new ATOM 1022 N THR B 209 -2.707 -0.060 -4.412 1.00 0.00 N ATOM 1023 CA THR B 209 -3.486 -1.184 -4.900 1.00 0.00 C ATOM 1024 C THR B 209 -3.037 -2.480 -4.220 1.00 0.00 C ATOM 1025 O THR B 209 -1.853 -2.661 -3.943 1.00 0.00 O ATOM 1026 CB THR B 209 -3.359 -1.223 -6.424 1.00 0.00 C ATOM 1027 OG1 THR B 209 -3.190 0.143 -6.792 1.00 0.00 O ATOM 1028 CG2 THR B 209 -4.663 -1.635 -7.111 1.00 0.00 C ATOM 0 H THR B 209 -1.801 0.059 -4.865 1.00 0.00 H new ATOM 0 HA THR B 209 -4.541 -1.071 -4.650 1.00 0.00 H new ATOM 0 HB THR B 209 -2.567 -1.917 -6.705 1.00 0.00 H new ATOM 0 HG1 THR B 209 -3.098 0.211 -7.765 1.00 0.00 H new ATOM 0 HG21 THR B 209 -4.517 -1.646 -8.191 1.00 0.00 H new ATOM 0 HG22 THR B 209 -4.954 -2.630 -6.773 1.00 0.00 H new ATOM 0 HG23 THR B 209 -5.448 -0.922 -6.858 1.00 0.00 H new ATOM 1036 N VAL B 210 -4.007 -3.347 -3.971 1.00 0.00 N ATOM 1037 CA VAL B 210 -3.727 -4.620 -3.329 1.00 0.00 C ATOM 1038 C VAL B 210 -4.561 -5.716 -3.994 1.00 0.00 C ATOM 1039 O VAL B 210 -5.787 -5.711 -3.901 1.00 0.00 O ATOM 1040 CB VAL B 210 -3.972 -4.511 -1.822 1.00 0.00 C ATOM 1041 CG1 VAL B 210 -4.377 -5.865 -1.234 1.00 0.00 C ATOM 1042 CG2 VAL B 210 -2.744 -3.948 -1.105 1.00 0.00 C ATOM 0 H VAL B 210 -4.988 -3.193 -4.202 1.00 0.00 H new ATOM 0 HA VAL B 210 -2.678 -4.889 -3.455 1.00 0.00 H new ATOM 0 HB VAL B 210 -4.798 -3.816 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL B 210 -4.545 -5.761 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL B 210 -5.293 -6.210 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL B 210 -3.581 -6.590 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL B 210 -2.946 -3.881 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL B 210 -1.891 -4.606 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL B 210 -2.519 -2.955 -1.494 1.00 0.00 H new ATOM 1052 N THR B 211 -3.862 -6.632 -4.649 1.00 0.00 N ATOM 1053 CA THR B 211 -4.524 -7.733 -5.328 1.00 0.00 C ATOM 1054 C THR B 211 -3.913 -9.068 -4.900 1.00 0.00 C ATOM 1055 O THR B 211 -2.693 -9.195 -4.805 1.00 0.00 O ATOM 1056 CB THR B 211 -4.435 -7.479 -6.835 1.00 0.00 C ATOM 1057 OG1 THR B 211 -5.226 -6.312 -7.038 1.00 0.00 O ATOM 1058 CG2 THR B 211 -5.147 -8.559 -7.653 1.00 0.00 C ATOM 0 H THR B 211 -2.845 -6.634 -4.724 1.00 0.00 H new ATOM 0 HA THR B 211 -5.577 -7.791 -5.054 1.00 0.00 H new ATOM 0 HB THR B 211 -3.388 -7.428 -7.133 1.00 0.00 H new ATOM 0 HG1 THR B 211 -5.071 -5.965 -7.941 1.00 0.00 H new ATOM 0 HG21 THR B 211 -5.054 -8.332 -8.715 1.00 0.00 H new ATOM 0 HG22 THR B 211 -4.693 -9.529 -7.449 1.00 0.00 H new ATOM 0 HG23 THR B 211 -6.202 -8.587 -7.379 1.00 0.00 H new ATOM 1066 N ASN B 212 -4.788 -10.031 -4.652 1.00 0.00 N ATOM 1067 CA ASN B 212 -4.350 -11.352 -4.236 1.00 0.00 C ATOM 1068 C ASN B 212 -4.302 -12.276 -5.454 1.00 0.00 C ATOM 1069 O ASN B 212 -5.326 -12.525 -6.090 1.00 0.00 O ATOM 1070 CB ASN B 212 -5.320 -11.960 -3.220 1.00 0.00 C ATOM 1071 CG ASN B 212 -5.694 -10.941 -2.141 1.00 0.00 C ATOM 1072 OD1 ASN B 212 -5.180 -9.835 -2.091 1.00 0.00 O ATOM 1073 ND2 ASN B 212 -6.614 -11.373 -1.284 1.00 0.00 N ATOM 0 H ASN B 212 -5.799 -9.923 -4.731 1.00 0.00 H new ATOM 0 HA ASN B 212 -3.365 -11.252 -3.780 1.00 0.00 H new ATOM 0 HB2 ASN B 212 -6.220 -12.301 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN B 212 -4.865 -12.835 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN B 212 -6.931 -10.767 -0.527 1.00 0.00 H new ATOM 0 HD22 ASN B 212 -7.003 -12.311 -1.383 1.00 0.00 H new ATOM 1080 N ASN B 213 -3.103 -12.760 -5.743 1.00 0.00 N ATOM 1081 CA ASN B 213 -2.908 -13.650 -6.875 1.00 0.00 C ATOM 1082 C ASN B 213 -3.357 -15.062 -6.490 1.00 0.00 C ATOM 1083 O ASN B 213 -3.473 -15.936 -7.347 1.00 0.00 O ATOM 1084 CB ASN B 213 -1.434 -13.718 -7.276 1.00 0.00 C ATOM 1085 CG ASN B 213 -1.210 -13.081 -8.649 1.00 0.00 C ATOM 1086 OD1 ASN B 213 -1.372 -13.705 -9.685 1.00 0.00 O ATOM 1087 ND2 ASN B 213 -0.830 -11.808 -8.600 1.00 0.00 N ATOM 0 H ASN B 213 -2.257 -12.553 -5.213 1.00 0.00 H new ATOM 0 HA ASN B 213 -3.492 -13.264 -7.711 1.00 0.00 H new ATOM 0 HB2 ASN B 213 -0.826 -13.206 -6.530 1.00 0.00 H new ATOM 0 HB3 ASN B 213 -1.106 -14.757 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN B 213 -0.655 -11.294 -9.464 1.00 0.00 H new ATOM 0 HD22 ASN B 213 -0.713 -11.345 -7.699 1.00 0.00 H new ATOM 1094 N SER B 214 -3.601 -15.241 -5.199 1.00 0.00 N ATOM 1095 CA SER B 214 -4.034 -16.530 -4.690 1.00 0.00 C ATOM 1096 C SER B 214 -5.530 -16.719 -4.951 1.00 0.00 C ATOM 1097 O SER B 214 -5.973 -17.821 -5.275 1.00 0.00 O ATOM 1098 CB SER B 214 -3.736 -16.661 -3.196 1.00 0.00 C ATOM 1099 OG SER B 214 -4.897 -16.445 -2.399 1.00 0.00 O ATOM 0 H SER B 214 -3.507 -14.513 -4.491 1.00 0.00 H new ATOM 0 HA SER B 214 -3.478 -17.308 -5.213 1.00 0.00 H new ATOM 0 HB2 SER B 214 -3.336 -17.654 -2.992 1.00 0.00 H new ATOM 0 HB3 SER B 214 -2.965 -15.943 -2.916 1.00 0.00 H new ATOM 0 HG SER B 214 -5.194 -15.516 -2.498 1.00 0.00 H new ATOM 1105 N ASN B 215 -6.267 -15.628 -4.802 1.00 0.00 N ATOM 1106 CA ASN B 215 -7.703 -15.660 -5.017 1.00 0.00 C ATOM 1107 C ASN B 215 -8.048 -14.833 -6.257 1.00 0.00 C ATOM 1108 O ASN B 215 -9.178 -14.871 -6.740 1.00 0.00 O ATOM 1109 CB ASN B 215 -8.453 -15.059 -3.826 1.00 0.00 C ATOM 1110 CG ASN B 215 -7.782 -15.445 -2.506 1.00 0.00 C ATOM 1111 OD1 ASN B 215 -6.707 -14.719 -2.212 1.00 0.00 O flip ATOM 1112 ND2 ASN B 215 -8.212 -16.343 -1.801 1.00 0.00 N flip ATOM 0 H ASN B 215 -5.896 -14.716 -4.535 1.00 0.00 H new ATOM 0 HA ASN B 215 -8.001 -16.701 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN B 215 -8.482 -13.973 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN B 215 -9.486 -15.407 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN B 215 -9.043 -16.862 -2.086 1.00 0.00 H new ATOM 0 HD22 ASN B 215 -7.741 -16.575 -0.927 1.00 0.00 H new ATOM 1119 N GLY B 216 -7.050 -14.103 -6.738 1.00 0.00 N ATOM 1120 CA GLY B 216 -7.233 -13.268 -7.912 1.00 0.00 C ATOM 1121 C GLY B 216 -8.099 -12.048 -7.588 1.00 0.00 C ATOM 1122 O GLY B 216 -8.598 -11.379 -8.492 1.00 0.00 O ATOM 0 H GLY B 216 -6.113 -14.074 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY B 216 -6.262 -12.941 -8.285 1.00 0.00 H new ATOM 0 HA3 GLY B 216 -7.700 -13.849 -8.707 1.00 0.00 H new ATOM 1126 N VAL B 217 -8.250 -11.795 -6.297 1.00 0.00 N ATOM 1127 CA VAL B 217 -9.045 -10.668 -5.842 1.00 0.00 C ATOM 1128 C VAL B 217 -8.195 -9.396 -5.891 1.00 0.00 C ATOM 1129 O VAL B 217 -7.108 -9.351 -5.319 1.00 0.00 O ATOM 1130 CB VAL B 217 -9.613 -10.955 -4.451 1.00 0.00 C ATOM 1131 CG1 VAL B 217 -10.219 -9.692 -3.835 1.00 0.00 C ATOM 1132 CG2 VAL B 217 -10.641 -12.088 -4.501 1.00 0.00 C ATOM 0 H VAL B 217 -7.835 -12.352 -5.550 1.00 0.00 H new ATOM 0 HA VAL B 217 -9.899 -10.513 -6.501 1.00 0.00 H new ATOM 0 HB VAL B 217 -8.790 -11.277 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL B 217 -10.616 -9.924 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL B 217 -9.450 -8.925 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL B 217 -11.024 -9.327 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL B 217 -11.029 -12.272 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL B 217 -11.461 -11.806 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL B 217 -10.166 -12.994 -4.878 1.00 0.00 H new ATOM 1142 N SER B 218 -8.724 -8.395 -6.579 1.00 0.00 N ATOM 1143 CA SER B 218 -8.027 -7.127 -6.709 1.00 0.00 C ATOM 1144 C SER B 218 -8.774 -6.038 -5.935 1.00 0.00 C ATOM 1145 O SER B 218 -10.000 -6.061 -5.852 1.00 0.00 O ATOM 1146 CB SER B 218 -7.881 -6.727 -8.178 1.00 0.00 C ATOM 1147 OG SER B 218 -8.804 -7.421 -9.015 1.00 0.00 O ATOM 0 H SER B 218 -9.627 -8.436 -7.052 1.00 0.00 H new ATOM 0 HA SER B 218 -7.027 -7.242 -6.290 1.00 0.00 H new ATOM 0 HB2 SER B 218 -8.037 -5.653 -8.279 1.00 0.00 H new ATOM 0 HB3 SER B 218 -6.864 -6.934 -8.511 1.00 0.00 H new ATOM 0 HG SER B 218 -8.680 -7.137 -9.945 1.00 0.00 H new ATOM 1153 N VAL B 219 -8.001 -5.111 -5.387 1.00 0.00 N ATOM 1154 CA VAL B 219 -8.573 -4.016 -4.622 1.00 0.00 C ATOM 1155 C VAL B 219 -7.632 -2.811 -4.684 1.00 0.00 C ATOM 1156 O VAL B 219 -6.432 -2.943 -4.447 1.00 0.00 O ATOM 1157 CB VAL B 219 -8.866 -4.474 -3.191 1.00 0.00 C ATOM 1158 CG1 VAL B 219 -9.327 -3.301 -2.325 1.00 0.00 C ATOM 1159 CG2 VAL B 219 -9.896 -5.605 -3.178 1.00 0.00 C ATOM 0 H VAL B 219 -6.984 -5.096 -5.458 1.00 0.00 H new ATOM 0 HA VAL B 219 -9.526 -3.707 -5.051 1.00 0.00 H new ATOM 0 HB VAL B 219 -7.940 -4.861 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL B 219 -9.529 -3.653 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL B 219 -8.546 -2.541 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL B 219 -10.235 -2.872 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL B 219 -10.086 -5.912 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL B 219 -10.824 -5.257 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL B 219 -9.512 -6.453 -3.745 1.00 0.00 H new ATOM 1169 N ASP B 220 -8.212 -1.663 -5.003 1.00 0.00 N ATOM 1170 CA ASP B 220 -7.442 -0.436 -5.098 1.00 0.00 C ATOM 1171 C ASP B 220 -8.017 0.600 -4.131 1.00 0.00 C ATOM 1172 O ASP B 220 -9.226 0.641 -3.908 1.00 0.00 O ATOM 1173 CB ASP B 220 -7.508 0.148 -6.511 1.00 0.00 C ATOM 1174 CG ASP B 220 -7.978 -0.828 -7.592 1.00 0.00 C ATOM 1175 OD1 ASP B 220 -9.097 -1.361 -7.429 1.00 0.00 O ATOM 1176 OD2 ASP B 220 -7.207 -1.017 -8.559 1.00 0.00 O ATOM 0 H ASP B 220 -9.207 -1.558 -5.199 1.00 0.00 H new ATOM 0 HA ASP B 220 -6.406 -0.669 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP B 220 -8.179 1.007 -6.502 1.00 0.00 H new ATOM 0 HB3 ASP B 220 -6.519 0.518 -6.782 1.00 0.00 H new ATOM 1181 N TYR B 221 -7.125 1.410 -3.582 1.00 0.00 N ATOM 1182 CA TYR B 221 -7.530 2.443 -2.644 1.00 0.00 C ATOM 1183 C TYR B 221 -6.725 3.726 -2.860 1.00 0.00 C ATOM 1184 O TYR B 221 -5.496 3.694 -2.900 1.00 0.00 O ATOM 1185 CB TYR B 221 -7.221 1.891 -1.250 1.00 0.00 C ATOM 1186 CG TYR B 221 -8.428 1.269 -0.546 1.00 0.00 C ATOM 1187 CD1 TYR B 221 -9.399 2.081 0.005 1.00 0.00 C ATOM 1188 CD2 TYR B 221 -8.547 -0.102 -0.462 1.00 0.00 C ATOM 1189 CE1 TYR B 221 -10.536 1.496 0.668 1.00 0.00 C ATOM 1190 CE2 TYR B 221 -9.683 -0.688 0.202 1.00 0.00 C ATOM 1191 CZ TYR B 221 -10.621 0.140 0.734 1.00 0.00 C ATOM 1192 OH TYR B 221 -11.695 -0.413 1.360 1.00 0.00 O ATOM 0 H TYR B 221 -6.123 1.372 -3.769 1.00 0.00 H new ATOM 0 HA TYR B 221 -8.584 2.687 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR B 221 -6.435 1.140 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR B 221 -6.827 2.697 -0.630 1.00 0.00 H new ATOM 0 HD1 TYR B 221 -9.306 3.155 -0.061 1.00 0.00 H new ATOM 0 HD2 TYR B 221 -7.788 -0.737 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR B 221 -11.303 2.120 1.103 1.00 0.00 H new ATOM 0 HE2 TYR B 221 -9.787 -1.760 0.276 1.00 0.00 H new ATOM 0 HH TYR B 221 -11.386 -1.048 2.039 1.00 0.00 H new ATOM 1202 N GLU B 222 -7.452 4.827 -2.994 1.00 0.00 N ATOM 1203 CA GLU B 222 -6.822 6.118 -3.206 1.00 0.00 C ATOM 1204 C GLU B 222 -6.793 6.915 -1.900 1.00 0.00 C ATOM 1205 O GLU B 222 -7.841 7.283 -1.370 1.00 0.00 O ATOM 1206 CB GLU B 222 -7.533 6.902 -4.311 1.00 0.00 C ATOM 1207 CG GLU B 222 -6.921 8.293 -4.479 1.00 0.00 C ATOM 1208 CD GLU B 222 -7.373 8.938 -5.790 1.00 0.00 C ATOM 1209 OE1 GLU B 222 -8.522 8.652 -6.196 1.00 0.00 O ATOM 1210 OE2 GLU B 222 -6.563 9.700 -6.359 1.00 0.00 O ATOM 0 H GLU B 222 -8.471 4.850 -2.960 1.00 0.00 H new ATOM 0 HA GLU B 222 -5.795 5.950 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU B 222 -7.464 6.355 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU B 222 -8.593 6.994 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU B 222 -7.211 8.925 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU B 222 -5.834 8.220 -4.462 1.00 0.00 H new ATOM 1217 N THR B 223 -5.583 7.160 -1.419 1.00 0.00 N ATOM 1218 CA THR B 223 -5.405 7.906 -0.186 1.00 0.00 C ATOM 1219 C THR B 223 -4.264 8.915 -0.333 1.00 0.00 C ATOM 1220 O THR B 223 -3.322 8.685 -1.090 1.00 0.00 O ATOM 1221 CB THR B 223 -5.186 6.902 0.948 1.00 0.00 C ATOM 1222 OG1 THR B 223 -5.395 7.665 2.133 1.00 0.00 O ATOM 1223 CG2 THR B 223 -3.730 6.445 1.051 1.00 0.00 C ATOM 0 H THR B 223 -4.716 6.855 -1.862 1.00 0.00 H new ATOM 0 HA THR B 223 -6.291 8.496 0.050 1.00 0.00 H new ATOM 0 HB THR B 223 -5.829 6.035 0.795 1.00 0.00 H new ATOM 0 HG1 THR B 223 -5.274 7.090 2.918 1.00 0.00 H new ATOM 0 HG21 THR B 223 -3.629 5.734 1.871 1.00 0.00 H new ATOM 0 HG22 THR B 223 -3.432 5.968 0.118 1.00 0.00 H new ATOM 0 HG23 THR B 223 -3.090 7.307 1.238 1.00 0.00 H new ATOM 1231 N GLU B 224 -4.385 10.009 0.403 1.00 0.00 N ATOM 1232 CA GLU B 224 -3.375 11.053 0.364 1.00 0.00 C ATOM 1233 C GLU B 224 -2.554 11.046 1.654 1.00 0.00 C ATOM 1234 O GLU B 224 -2.947 11.653 2.650 1.00 0.00 O ATOM 1235 CB GLU B 224 -4.013 12.424 0.128 1.00 0.00 C ATOM 1236 CG GLU B 224 -5.487 12.420 0.537 1.00 0.00 C ATOM 1237 CD GLU B 224 -5.638 12.229 2.047 1.00 0.00 C ATOM 1238 OE1 GLU B 224 -5.266 13.173 2.778 1.00 0.00 O ATOM 1239 OE2 GLU B 224 -6.121 11.144 2.437 1.00 0.00 O ATOM 0 H GLU B 224 -5.167 10.196 1.030 1.00 0.00 H new ATOM 0 HA GLU B 224 -2.704 10.852 -0.471 1.00 0.00 H new ATOM 0 HB2 GLU B 224 -3.476 13.182 0.698 1.00 0.00 H new ATOM 0 HB3 GLU B 224 -3.925 12.694 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU B 224 -5.953 13.359 0.237 1.00 0.00 H new ATOM 0 HG3 GLU B 224 -6.011 11.622 0.012 1.00 0.00 H new ATOM 1246 N THR B 225 -1.427 10.352 1.596 1.00 0.00 N ATOM 1247 CA THR B 225 -0.545 10.257 2.748 1.00 0.00 C ATOM 1248 C THR B 225 0.907 10.497 2.330 1.00 0.00 C ATOM 1249 O THR B 225 1.512 9.656 1.667 1.00 0.00 O ATOM 1250 CB THR B 225 -0.772 8.894 3.405 1.00 0.00 C ATOM 1251 OG1 THR B 225 -0.682 7.968 2.325 1.00 0.00 O ATOM 1252 CG2 THR B 225 -2.201 8.723 3.924 1.00 0.00 C ATOM 0 H THR B 225 -1.104 9.850 0.769 1.00 0.00 H new ATOM 0 HA THR B 225 -0.769 11.030 3.483 1.00 0.00 H new ATOM 0 HB THR B 225 -0.070 8.768 4.229 1.00 0.00 H new ATOM 0 HG1 THR B 225 -0.816 7.058 2.663 1.00 0.00 H new ATOM 0 HG21 THR B 225 -2.307 7.739 4.380 1.00 0.00 H new ATOM 0 HG22 THR B 225 -2.413 9.492 4.667 1.00 0.00 H new ATOM 0 HG23 THR B 225 -2.903 8.816 3.095 1.00 0.00 H new ATOM 1260 N PRO B 226 1.437 11.677 2.746 1.00 0.00 N ATOM 1261 CA PRO B 226 2.807 12.039 2.421 1.00 0.00 C ATOM 1262 C PRO B 226 3.799 11.252 3.280 1.00 0.00 C ATOM 1263 O PRO B 226 4.309 10.217 2.855 1.00 0.00 O ATOM 1264 CB PRO B 226 2.882 13.540 2.650 1.00 0.00 C ATOM 1265 CG PRO B 226 1.695 13.887 3.534 1.00 0.00 C ATOM 1266 CD PRO B 226 0.749 12.698 3.532 1.00 0.00 C ATOM 0 HA PRO B 226 3.076 11.793 1.394 1.00 0.00 H new ATOM 0 HB2 PRO B 226 3.821 13.815 3.131 1.00 0.00 H new ATOM 0 HB3 PRO B 226 2.837 14.082 1.705 1.00 0.00 H new ATOM 0 HG2 PRO B 226 2.027 14.109 4.548 1.00 0.00 H new ATOM 0 HG3 PRO B 226 1.189 14.778 3.162 1.00 0.00 H new ATOM 0 HD2 PRO B 226 0.549 12.350 4.545 1.00 0.00 H new ATOM 0 HD3 PRO B 226 -0.212 12.958 3.089 1.00 0.00 H new ATOM 1274 N MET B 227 4.043 11.774 4.473 1.00 0.00 N ATOM 1275 CA MET B 227 4.965 11.133 5.395 1.00 0.00 C ATOM 1276 C MET B 227 4.328 9.899 6.039 1.00 0.00 C ATOM 1277 O MET B 227 5.027 8.953 6.400 1.00 0.00 O ATOM 1278 CB MET B 227 5.370 12.126 6.486 1.00 0.00 C ATOM 1279 CG MET B 227 5.739 13.483 5.882 1.00 0.00 C ATOM 1280 SD MET B 227 5.179 14.799 6.950 1.00 0.00 S ATOM 1281 CE MET B 227 3.453 14.366 7.098 1.00 0.00 C ATOM 0 H MET B 227 3.618 12.633 4.822 1.00 0.00 H new ATOM 0 HA MET B 227 5.845 10.815 4.836 1.00 0.00 H new ATOM 0 HB2 MET B 227 4.550 12.249 7.193 1.00 0.00 H new ATOM 0 HB3 MET B 227 6.217 11.731 7.046 1.00 0.00 H new ATOM 0 HG2 MET B 227 6.819 13.548 5.746 1.00 0.00 H new ATOM 0 HG3 MET B 227 5.287 13.586 4.896 1.00 0.00 H new ATOM 0 HE1 MET B 227 2.840 15.254 6.942 1.00 0.00 H new ATOM 0 HE2 MET B 227 3.201 13.615 6.349 1.00 0.00 H new ATOM 0 HE3 MET B 227 3.263 13.965 8.093 1.00 0.00 H new ATOM 1291 N THR B 228 3.011 9.949 6.161 1.00 0.00 N ATOM 1292 CA THR B 228 2.272 8.847 6.755 1.00 0.00 C ATOM 1293 C THR B 228 2.633 7.530 6.066 1.00 0.00 C ATOM 1294 O THR B 228 2.697 6.485 6.711 1.00 0.00 O ATOM 1295 CB THR B 228 0.781 9.184 6.681 1.00 0.00 C ATOM 1296 OG1 THR B 228 0.746 10.474 6.080 1.00 0.00 O ATOM 1297 CG2 THR B 228 0.160 9.399 8.064 1.00 0.00 C ATOM 0 H THR B 228 2.435 10.735 5.859 1.00 0.00 H new ATOM 0 HA THR B 228 2.538 8.712 7.803 1.00 0.00 H new ATOM 0 HB THR B 228 0.252 8.381 6.167 1.00 0.00 H new ATOM 0 HG1 THR B 228 -0.184 10.769 5.992 1.00 0.00 H new ATOM 0 HG21 THR B 228 -0.898 9.635 7.955 1.00 0.00 H new ATOM 0 HG22 THR B 228 0.270 8.491 8.657 1.00 0.00 H new ATOM 0 HG23 THR B 228 0.666 10.224 8.566 1.00 0.00 H new ATOM 1305 N LEU B 229 2.860 7.624 4.763 1.00 0.00 N ATOM 1306 CA LEU B 229 3.213 6.453 3.979 1.00 0.00 C ATOM 1307 C LEU B 229 4.390 5.736 4.643 1.00 0.00 C ATOM 1308 O LEU B 229 4.475 4.509 4.607 1.00 0.00 O ATOM 1309 CB LEU B 229 3.471 6.842 2.523 1.00 0.00 C ATOM 1310 CG LEU B 229 2.238 6.920 1.620 1.00 0.00 C ATOM 1311 CD1 LEU B 229 2.548 7.689 0.334 1.00 0.00 C ATOM 1312 CD2 LEU B 229 1.680 5.524 1.333 1.00 0.00 C ATOM 0 H LEU B 229 2.806 8.493 4.232 1.00 0.00 H new ATOM 0 HA LEU B 229 2.383 5.747 3.953 1.00 0.00 H new ATOM 0 HB2 LEU B 229 3.968 7.812 2.510 1.00 0.00 H new ATOM 0 HB3 LEU B 229 4.166 6.121 2.093 1.00 0.00 H new ATOM 0 HG LEU B 229 1.462 7.475 2.148 1.00 0.00 H new ATOM 0 HD11 LEU B 229 1.655 7.730 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU B 229 2.863 8.702 0.583 1.00 0.00 H new ATOM 0 HD13 LEU B 229 3.347 7.184 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU B 229 0.804 5.607 0.689 1.00 0.00 H new ATOM 0 HD22 LEU B 229 2.441 4.923 0.835 1.00 0.00 H new ATOM 0 HD23 LEU B 229 1.397 5.046 2.271 1.00 0.00 H new ATOM 1324 N LEU B 230 5.270 6.532 5.233 1.00 0.00 N ATOM 1325 CA LEU B 230 6.439 5.988 5.904 1.00 0.00 C ATOM 1326 C LEU B 230 6.034 5.474 7.287 1.00 0.00 C ATOM 1327 O LEU B 230 6.671 4.573 7.829 1.00 0.00 O ATOM 1328 CB LEU B 230 7.566 7.022 5.938 1.00 0.00 C ATOM 1329 CG LEU B 230 7.882 7.713 4.610 1.00 0.00 C ATOM 1330 CD1 LEU B 230 9.062 8.676 4.759 1.00 0.00 C ATOM 1331 CD2 LEU B 230 8.118 6.687 3.500 1.00 0.00 C ATOM 0 H LEU B 230 5.197 7.549 5.260 1.00 0.00 H new ATOM 0 HA LEU B 230 6.835 5.137 5.350 1.00 0.00 H new ATOM 0 HB2 LEU B 230 7.309 7.787 6.671 1.00 0.00 H new ATOM 0 HB3 LEU B 230 8.472 6.531 6.294 1.00 0.00 H new ATOM 0 HG LEU B 230 7.015 8.307 4.321 1.00 0.00 H new ATOM 0 HD11 LEU B 230 9.265 9.153 3.800 1.00 0.00 H new ATOM 0 HD12 LEU B 230 8.819 9.438 5.500 1.00 0.00 H new ATOM 0 HD13 LEU B 230 9.944 8.123 5.083 1.00 0.00 H new ATOM 0 HD21 LEU B 230 8.341 7.205 2.567 1.00 0.00 H new ATOM 0 HD22 LEU B 230 8.958 6.047 3.769 1.00 0.00 H new ATOM 0 HD23 LEU B 230 7.224 6.077 3.372 1.00 0.00 H new ATOM 1343 N VAL B 231 4.977 6.070 7.820 1.00 0.00 N ATOM 1344 CA VAL B 231 4.480 5.684 9.129 1.00 0.00 C ATOM 1345 C VAL B 231 3.979 4.240 9.074 1.00 0.00 C ATOM 1346 O VAL B 231 3.272 3.859 8.143 1.00 0.00 O ATOM 1347 CB VAL B 231 3.408 6.671 9.595 1.00 0.00 C ATOM 1348 CG1 VAL B 231 2.858 6.276 10.966 1.00 0.00 C ATOM 1349 CG2 VAL B 231 3.949 8.102 9.611 1.00 0.00 C ATOM 0 H VAL B 231 4.451 6.818 7.368 1.00 0.00 H new ATOM 0 HA VAL B 231 5.281 5.723 9.867 1.00 0.00 H new ATOM 0 HB VAL B 231 2.585 6.633 8.881 1.00 0.00 H new ATOM 0 HG11 VAL B 231 2.098 6.994 11.274 1.00 0.00 H new ATOM 0 HG12 VAL B 231 2.415 5.282 10.908 1.00 0.00 H new ATOM 0 HG13 VAL B 231 3.668 6.270 11.695 1.00 0.00 H new ATOM 0 HG21 VAL B 231 3.167 8.783 9.946 1.00 0.00 H new ATOM 0 HG22 VAL B 231 4.798 8.162 10.291 1.00 0.00 H new ATOM 0 HG23 VAL B 231 4.268 8.382 8.607 1.00 0.00 H new ATOM 1359 N PRO B 232 4.377 3.454 10.110 1.00 0.00 N ATOM 1360 CA PRO B 232 3.976 2.058 10.188 1.00 0.00 C ATOM 1361 C PRO B 232 2.511 1.933 10.609 1.00 0.00 C ATOM 1362 O PRO B 232 1.770 1.121 10.057 1.00 0.00 O ATOM 1363 CB PRO B 232 4.936 1.429 11.184 1.00 0.00 C ATOM 1364 CG PRO B 232 5.535 2.583 11.972 1.00 0.00 C ATOM 1365 CD PRO B 232 5.215 3.869 11.231 1.00 0.00 C ATOM 0 HA PRO B 232 4.031 1.549 9.226 1.00 0.00 H new ATOM 0 HB2 PRO B 232 4.415 0.735 11.843 1.00 0.00 H new ATOM 0 HB3 PRO B 232 5.713 0.861 10.672 1.00 0.00 H new ATOM 0 HG2 PRO B 232 5.123 2.611 12.981 1.00 0.00 H new ATOM 0 HG3 PRO B 232 6.613 2.458 12.072 1.00 0.00 H new ATOM 0 HD2 PRO B 232 4.693 4.577 11.875 1.00 0.00 H new ATOM 0 HD3 PRO B 232 6.123 4.363 10.885 1.00 0.00 H new ATOM 1373 N GLU B 233 2.135 2.748 11.584 1.00 0.00 N ATOM 1374 CA GLU B 233 0.772 2.738 12.085 1.00 0.00 C ATOM 1375 C GLU B 233 -0.209 3.080 10.961 1.00 0.00 C ATOM 1376 O GLU B 233 -1.316 2.545 10.914 1.00 0.00 O ATOM 1377 CB GLU B 233 0.613 3.700 13.263 1.00 0.00 C ATOM 1378 CG GLU B 233 1.834 3.648 14.183 1.00 0.00 C ATOM 1379 CD GLU B 233 1.487 4.153 15.585 1.00 0.00 C ATOM 1380 OE1 GLU B 233 0.318 3.963 15.984 1.00 0.00 O ATOM 1381 OE2 GLU B 233 2.400 4.720 16.225 1.00 0.00 O ATOM 0 H GLU B 233 2.752 3.420 12.040 1.00 0.00 H new ATOM 0 HA GLU B 233 0.546 1.735 12.446 1.00 0.00 H new ATOM 0 HB2 GLU B 233 0.476 4.716 12.892 1.00 0.00 H new ATOM 0 HB3 GLU B 233 -0.283 3.444 13.828 1.00 0.00 H new ATOM 0 HG2 GLU B 233 2.205 2.625 14.243 1.00 0.00 H new ATOM 0 HG3 GLU B 233 2.636 4.254 13.763 1.00 0.00 H new ATOM 1388 N VAL B 234 0.232 3.969 10.084 1.00 0.00 N ATOM 1389 CA VAL B 234 -0.594 4.388 8.963 1.00 0.00 C ATOM 1390 C VAL B 234 -0.485 3.354 7.841 1.00 0.00 C ATOM 1391 O VAL B 234 -1.495 2.942 7.273 1.00 0.00 O ATOM 1392 CB VAL B 234 -0.195 5.798 8.520 1.00 0.00 C ATOM 1393 CG1 VAL B 234 -1.028 6.249 7.317 1.00 0.00 C ATOM 1394 CG2 VAL B 234 -0.317 6.791 9.676 1.00 0.00 C ATOM 0 H VAL B 234 1.150 4.411 10.126 1.00 0.00 H new ATOM 0 HA VAL B 234 -1.643 4.438 9.257 1.00 0.00 H new ATOM 0 HB VAL B 234 0.850 5.771 8.213 1.00 0.00 H new ATOM 0 HG11 VAL B 234 -0.726 7.254 7.021 1.00 0.00 H new ATOM 0 HG12 VAL B 234 -0.868 5.562 6.486 1.00 0.00 H new ATOM 0 HG13 VAL B 234 -2.084 6.252 7.587 1.00 0.00 H new ATOM 0 HG21 VAL B 234 -0.028 7.785 9.334 1.00 0.00 H new ATOM 0 HG22 VAL B 234 -1.348 6.814 10.028 1.00 0.00 H new ATOM 0 HG23 VAL B 234 0.338 6.483 10.491 1.00 0.00 H new ATOM 1404 N ALA B 235 0.748 2.966 7.555 1.00 0.00 N ATOM 1405 CA ALA B 235 1.002 1.989 6.510 1.00 0.00 C ATOM 1406 C ALA B 235 0.364 0.653 6.901 1.00 0.00 C ATOM 1407 O ALA B 235 -0.269 -0.001 6.074 1.00 0.00 O ATOM 1408 CB ALA B 235 2.509 1.867 6.277 1.00 0.00 C ATOM 0 H ALA B 235 1.583 3.310 8.029 1.00 0.00 H new ATOM 0 HA ALA B 235 0.552 2.309 5.570 1.00 0.00 H new ATOM 0 HB1 ALA B 235 2.698 1.134 5.493 1.00 0.00 H new ATOM 0 HB2 ALA B 235 2.910 2.834 5.973 1.00 0.00 H new ATOM 0 HB3 ALA B 235 2.995 1.546 7.198 1.00 0.00 H new ATOM 1414 N ALA B 236 0.552 0.290 8.161 1.00 0.00 N ATOM 1415 CA ALA B 236 0.002 -0.954 8.671 1.00 0.00 C ATOM 1416 C ALA B 236 -1.512 -0.965 8.452 1.00 0.00 C ATOM 1417 O ALA B 236 -2.063 -1.948 7.958 1.00 0.00 O ATOM 1418 CB ALA B 236 0.380 -1.113 10.145 1.00 0.00 C ATOM 0 H ALA B 236 1.078 0.836 8.844 1.00 0.00 H new ATOM 0 HA ALA B 236 0.418 -1.806 8.134 1.00 0.00 H new ATOM 0 HB1 ALA B 236 -0.033 -2.046 10.528 1.00 0.00 H new ATOM 0 HB2 ALA B 236 1.466 -1.129 10.243 1.00 0.00 H new ATOM 0 HB3 ALA B 236 -0.023 -0.277 10.716 1.00 0.00 H new ATOM 1424 N GLU B 237 -2.141 0.137 8.831 1.00 0.00 N ATOM 1425 CA GLU B 237 -3.580 0.266 8.683 1.00 0.00 C ATOM 1426 C GLU B 237 -3.962 0.279 7.202 1.00 0.00 C ATOM 1427 O GLU B 237 -5.015 -0.234 6.823 1.00 0.00 O ATOM 1428 CB GLU B 237 -4.094 1.521 9.391 1.00 0.00 C ATOM 1429 CG GLU B 237 -5.582 1.740 9.109 1.00 0.00 C ATOM 1430 CD GLU B 237 -6.373 1.877 10.411 1.00 0.00 C ATOM 1431 OE1 GLU B 237 -6.588 0.829 11.057 1.00 0.00 O ATOM 1432 OE2 GLU B 237 -6.745 3.026 10.730 1.00 0.00 O ATOM 0 H GLU B 237 -1.680 0.949 9.241 1.00 0.00 H new ATOM 0 HA GLU B 237 -4.052 -0.597 9.153 1.00 0.00 H new ATOM 0 HB2 GLU B 237 -3.934 1.428 10.465 1.00 0.00 H new ATOM 0 HB3 GLU B 237 -3.526 2.389 9.058 1.00 0.00 H new ATOM 0 HG2 GLU B 237 -5.713 2.637 8.504 1.00 0.00 H new ATOM 0 HG3 GLU B 237 -5.973 0.904 8.528 1.00 0.00 H new ATOM 1439 N VAL B 238 -3.086 0.868 6.402 1.00 0.00 N ATOM 1440 CA VAL B 238 -3.317 0.953 4.970 1.00 0.00 C ATOM 1441 C VAL B 238 -3.245 -0.448 4.361 1.00 0.00 C ATOM 1442 O VAL B 238 -4.128 -0.846 3.602 1.00 0.00 O ATOM 1443 CB VAL B 238 -2.326 1.931 4.336 1.00 0.00 C ATOM 1444 CG1 VAL B 238 -1.881 1.443 2.956 1.00 0.00 C ATOM 1445 CG2 VAL B 238 -2.920 3.339 4.256 1.00 0.00 C ATOM 0 H VAL B 238 -2.214 1.292 6.719 1.00 0.00 H new ATOM 0 HA VAL B 238 -4.314 1.345 4.768 1.00 0.00 H new ATOM 0 HB VAL B 238 -1.444 1.976 4.975 1.00 0.00 H new ATOM 0 HG11 VAL B 238 -1.177 2.156 2.527 1.00 0.00 H new ATOM 0 HG12 VAL B 238 -1.399 0.470 3.052 1.00 0.00 H new ATOM 0 HG13 VAL B 238 -2.750 1.354 2.304 1.00 0.00 H new ATOM 0 HG21 VAL B 238 -2.195 4.014 3.802 1.00 0.00 H new ATOM 0 HG22 VAL B 238 -3.826 3.318 3.650 1.00 0.00 H new ATOM 0 HG23 VAL B 238 -3.163 3.689 5.259 1.00 0.00 H new ATOM 1455 N ILE B 239 -2.186 -1.161 4.718 1.00 0.00 N ATOM 1456 CA ILE B 239 -1.988 -2.510 4.217 1.00 0.00 C ATOM 1457 C ILE B 239 -3.099 -3.417 4.753 1.00 0.00 C ATOM 1458 O ILE B 239 -3.688 -4.192 4.001 1.00 0.00 O ATOM 1459 CB ILE B 239 -0.578 -3.002 4.548 1.00 0.00 C ATOM 1460 CG1 ILE B 239 0.481 -2.118 3.888 1.00 0.00 C ATOM 1461 CG2 ILE B 239 -0.410 -4.476 4.173 1.00 0.00 C ATOM 1462 CD1 ILE B 239 0.198 -1.945 2.395 1.00 0.00 C ATOM 0 H ILE B 239 -1.456 -0.829 5.349 1.00 0.00 H new ATOM 0 HA ILE B 239 -2.059 -2.527 3.129 1.00 0.00 H new ATOM 0 HB ILE B 239 -0.434 -2.925 5.626 1.00 0.00 H new ATOM 0 HG12 ILE B 239 0.499 -1.142 4.374 1.00 0.00 H new ATOM 0 HG13 ILE B 239 1.467 -2.561 4.026 1.00 0.00 H new ATOM 0 HG21 ILE B 239 0.601 -4.801 4.418 1.00 0.00 H new ATOM 0 HG22 ILE B 239 -1.129 -5.077 4.729 1.00 0.00 H new ATOM 0 HG23 ILE B 239 -0.582 -4.601 3.104 1.00 0.00 H new ATOM 0 HD11 ILE B 239 0.966 -1.312 1.950 1.00 0.00 H new ATOM 0 HD12 ILE B 239 0.204 -2.920 1.908 1.00 0.00 H new ATOM 0 HD13 ILE B 239 -0.778 -1.479 2.261 1.00 0.00 H new ATOM 1474 N LYS B 240 -3.352 -3.288 6.046 1.00 0.00 N ATOM 1475 CA LYS B 240 -4.381 -4.086 6.691 1.00 0.00 C ATOM 1476 C LYS B 240 -5.751 -3.675 6.151 1.00 0.00 C ATOM 1477 O LYS B 240 -6.605 -4.525 5.902 1.00 0.00 O ATOM 1478 CB LYS B 240 -4.263 -3.984 8.213 1.00 0.00 C ATOM 1479 CG LYS B 240 -5.638 -4.079 8.876 1.00 0.00 C ATOM 1480 CD LYS B 240 -6.185 -2.688 9.208 1.00 0.00 C ATOM 1481 CE LYS B 240 -7.659 -2.760 9.609 1.00 0.00 C ATOM 1482 NZ LYS B 240 -8.523 -2.332 8.488 1.00 0.00 N ATOM 0 H LYS B 240 -2.862 -2.643 6.666 1.00 0.00 H new ATOM 0 HA LYS B 240 -4.249 -5.142 6.455 1.00 0.00 H new ATOM 0 HB2 LYS B 240 -3.620 -4.781 8.586 1.00 0.00 H new ATOM 0 HB3 LYS B 240 -3.790 -3.040 8.482 1.00 0.00 H new ATOM 0 HG2 LYS B 240 -6.330 -4.597 8.212 1.00 0.00 H new ATOM 0 HG3 LYS B 240 -5.566 -4.672 9.788 1.00 0.00 H new ATOM 0 HD2 LYS B 240 -5.605 -2.249 10.020 1.00 0.00 H new ATOM 0 HD3 LYS B 240 -6.071 -2.033 8.344 1.00 0.00 H new ATOM 0 HE2 LYS B 240 -7.913 -3.779 9.903 1.00 0.00 H new ATOM 0 HE3 LYS B 240 -7.837 -2.124 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 240 -9.498 -2.208 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 240 -8.173 -1.431 8.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 240 -8.507 -3.056 7.741 1.00 0.00 H new ATOM 1496 N ASP B 241 -5.920 -2.371 5.985 1.00 0.00 N ATOM 1497 CA ASP B 241 -7.173 -1.837 5.479 1.00 0.00 C ATOM 1498 C ASP B 241 -7.444 -2.413 4.088 1.00 0.00 C ATOM 1499 O ASP B 241 -8.561 -2.833 3.793 1.00 0.00 O ATOM 1500 CB ASP B 241 -7.112 -0.313 5.355 1.00 0.00 C ATOM 1501 CG ASP B 241 -8.252 0.317 4.552 1.00 0.00 C ATOM 1502 OD1 ASP B 241 -9.299 0.593 5.175 1.00 0.00 O ATOM 1503 OD2 ASP B 241 -8.049 0.507 3.334 1.00 0.00 O ATOM 0 H ASP B 241 -5.210 -1.669 6.192 1.00 0.00 H new ATOM 0 HA ASP B 241 -7.963 -2.111 6.178 1.00 0.00 H new ATOM 0 HB2 ASP B 241 -7.111 0.118 6.356 1.00 0.00 H new ATOM 0 HB3 ASP B 241 -6.165 -0.039 4.889 1.00 0.00 H new ATOM 1508 N LEU B 242 -6.400 -2.415 3.270 1.00 0.00 N ATOM 1509 CA LEU B 242 -6.512 -2.933 1.917 1.00 0.00 C ATOM 1510 C LEU B 242 -6.852 -4.424 1.973 1.00 0.00 C ATOM 1511 O LEU B 242 -7.766 -4.882 1.290 1.00 0.00 O ATOM 1512 CB LEU B 242 -5.245 -2.621 1.118 1.00 0.00 C ATOM 1513 CG LEU B 242 -5.253 -1.307 0.335 1.00 0.00 C ATOM 1514 CD1 LEU B 242 -4.014 -0.469 0.657 1.00 0.00 C ATOM 1515 CD2 LEU B 242 -5.396 -1.565 -1.167 1.00 0.00 C ATOM 0 H LEU B 242 -5.474 -2.066 3.518 1.00 0.00 H new ATOM 0 HA LEU B 242 -7.326 -2.440 1.386 1.00 0.00 H new ATOM 0 HB2 LEU B 242 -4.400 -2.606 1.806 1.00 0.00 H new ATOM 0 HB3 LEU B 242 -5.071 -3.438 0.417 1.00 0.00 H new ATOM 0 HG LEU B 242 -6.123 -0.729 0.647 1.00 0.00 H new ATOM 0 HD11 LEU B 242 -4.045 0.460 0.087 1.00 0.00 H new ATOM 0 HD12 LEU B 242 -3.996 -0.240 1.723 1.00 0.00 H new ATOM 0 HD13 LEU B 242 -3.117 -1.028 0.391 1.00 0.00 H new ATOM 0 HD21 LEU B 242 -5.399 -0.615 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU B 242 -4.560 -2.173 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU B 242 -6.331 -2.091 -1.358 1.00 0.00 H new ATOM 1527 N VAL B 243 -6.096 -5.140 2.792 1.00 0.00 N ATOM 1528 CA VAL B 243 -6.307 -6.570 2.946 1.00 0.00 C ATOM 1529 C VAL B 243 -7.687 -6.815 3.559 1.00 0.00 C ATOM 1530 O VAL B 243 -8.415 -7.703 3.119 1.00 0.00 O ATOM 1531 CB VAL B 243 -5.170 -7.180 3.769 1.00 0.00 C ATOM 1532 CG1 VAL B 243 -5.666 -8.374 4.588 1.00 0.00 C ATOM 1533 CG2 VAL B 243 -3.996 -7.580 2.873 1.00 0.00 C ATOM 0 H VAL B 243 -5.337 -4.757 3.356 1.00 0.00 H new ATOM 0 HA VAL B 243 -6.291 -7.066 1.975 1.00 0.00 H new ATOM 0 HB VAL B 243 -4.815 -6.419 4.465 1.00 0.00 H new ATOM 0 HG11 VAL B 243 -4.839 -8.789 5.164 1.00 0.00 H new ATOM 0 HG12 VAL B 243 -6.453 -8.047 5.268 1.00 0.00 H new ATOM 0 HG13 VAL B 243 -6.060 -9.137 3.917 1.00 0.00 H new ATOM 0 HG21 VAL B 243 -3.202 -8.011 3.484 1.00 0.00 H new ATOM 0 HG22 VAL B 243 -4.331 -8.316 2.142 1.00 0.00 H new ATOM 0 HG23 VAL B 243 -3.617 -6.699 2.354 1.00 0.00 H new ATOM 1543 N ASN B 244 -8.004 -6.013 4.565 1.00 0.00 N ATOM 1544 CA ASN B 244 -9.283 -6.132 5.242 1.00 0.00 C ATOM 1545 C ASN B 244 -10.412 -5.997 4.218 1.00 0.00 C ATOM 1546 O ASN B 244 -11.433 -6.676 4.321 1.00 0.00 O ATOM 1547 CB ASN B 244 -9.459 -5.028 6.287 1.00 0.00 C ATOM 1548 CG ASN B 244 -9.281 -5.580 7.702 1.00 0.00 C ATOM 1549 OD1 ASN B 244 -8.069 -6.068 7.945 1.00 0.00 O flip ATOM 1550 ND2 ASN B 244 -10.186 -5.563 8.521 1.00 0.00 N flip ATOM 0 H ASN B 244 -7.396 -5.278 4.927 1.00 0.00 H new ATOM 0 HA ASN B 244 -9.314 -7.104 5.735 1.00 0.00 H new ATOM 0 HB2 ASN B 244 -8.734 -4.234 6.108 1.00 0.00 H new ATOM 0 HB3 ASN B 244 -10.449 -4.583 6.188 1.00 0.00 H new ATOM 0 HD21 ASN B 244 -11.094 -5.173 8.269 1.00 0.00 H new ATOM 0 HD22 ASN B 244 -10.034 -5.939 9.457 1.00 0.00 H new ATOM 1557 N THR B 245 -10.191 -5.116 3.253 1.00 0.00 N ATOM 1558 CA THR B 245 -11.177 -4.884 2.211 1.00 0.00 C ATOM 1559 C THR B 245 -11.200 -6.057 1.229 1.00 0.00 C ATOM 1560 O THR B 245 -12.270 -6.502 0.814 1.00 0.00 O ATOM 1561 CB THR B 245 -10.856 -3.543 1.549 1.00 0.00 C ATOM 1562 OG1 THR B 245 -11.122 -2.581 2.567 1.00 0.00 O ATOM 1563 CG2 THR B 245 -11.845 -3.189 0.435 1.00 0.00 C ATOM 0 H THR B 245 -9.344 -4.554 3.171 1.00 0.00 H new ATOM 0 HA THR B 245 -12.184 -4.827 2.623 1.00 0.00 H new ATOM 0 HB THR B 245 -9.845 -3.571 1.142 1.00 0.00 H new ATOM 0 HG1 THR B 245 -10.343 -2.505 3.157 1.00 0.00 H new ATOM 0 HG21 THR B 245 -11.572 -2.228 -0.002 1.00 0.00 H new ATOM 0 HG22 THR B 245 -11.816 -3.959 -0.336 1.00 0.00 H new ATOM 0 HG23 THR B 245 -12.852 -3.127 0.848 1.00 0.00 H new