USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 180:sc= 1.02 USER MOD Set 1.2: A 56 THR OG1 : rot 80:sc= 1.05 USER MOD Set 2.1: A 37 SER OG : rot -171:sc= 1.13 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.722 K(o=1.9,f=-0.16) USER MOD Single : A 3 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.069) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.346 X(o=0.35,f=-0.012) USER MOD Single : A 12 MET CE :methyl -175:sc= -0.416 (180deg=-0.502) USER MOD Single : A 16 SER OG : rot 35:sc= 0.168 USER MOD Single : A 17 CYS SG : rot 163:sc= 0.113 USER MOD Single : A 19 GLN : amide:sc= 0.432 X(o=0.43,f=-0.065) USER MOD Single : A 20 SER OG : rot 74:sc= 0.919 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0286) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc=-0.00249 (180deg=-0.108) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.03) USER MOD Single : A 33 SER OG : rot -78:sc= 0.737 USER MOD Single : A 41 SER OG : rot 15:sc= 0.709 USER MOD Single : A 42 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 64 MET CE :methyl 168:sc= 0 (180deg=-0.192) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.593 -19.858 1.350 1.00 0.00 N ATOM 37 CA GLN A 3 0.203 -19.414 1.355 1.00 0.00 C ATOM 38 C GLN A 3 0.161 -17.897 1.527 1.00 0.00 C ATOM 39 O GLN A 3 1.158 -17.283 1.904 1.00 0.00 O ATOM 40 CB GLN A 3 -0.577 -20.101 2.487 1.00 0.00 C ATOM 41 CG GLN A 3 -0.896 -21.577 2.219 1.00 0.00 C ATOM 42 CD GLN A 3 -1.927 -21.757 1.106 1.00 0.00 C ATOM 43 OE1 GLN A 3 -3.128 -21.698 1.358 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.468 -21.980 -0.126 1.00 0.00 N ATOM 0 HA GLN A 3 -0.264 -19.685 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.000 -20.026 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.510 -19.562 2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.021 -22.101 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.269 -22.037 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.463 -22.022 -0.296 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.122 -22.108 -0.898 1.00 0.00 H new ATOM 53 N GLU A 4 -1.005 -17.303 1.243 1.00 0.00 N ATOM 54 CA GLU A 4 -1.268 -15.880 1.405 1.00 0.00 C ATOM 55 C GLU A 4 -2.546 -15.689 2.216 1.00 0.00 C ATOM 56 O GLU A 4 -3.435 -16.540 2.190 1.00 0.00 O ATOM 57 CB GLU A 4 -1.396 -15.197 0.038 1.00 0.00 C ATOM 58 CG GLU A 4 -0.088 -15.260 -0.756 1.00 0.00 C ATOM 59 CD GLU A 4 -0.175 -14.420 -2.025 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.760 -14.929 -3.006 1.00 0.00 O ATOM 61 OE2 GLU A 4 0.342 -13.282 -1.991 1.00 0.00 O ATOM 0 H GLU A 4 -1.809 -17.819 0.885 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.434 -15.422 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.191 -15.675 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.686 -14.156 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.735 -14.904 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.134 -16.295 -1.016 1.00 0.00 H new ATOM 68 N THR A 5 -2.630 -14.565 2.936 1.00 0.00 N ATOM 69 CA THR A 5 -3.784 -14.189 3.736 1.00 0.00 C ATOM 70 C THR A 5 -3.954 -12.673 3.699 1.00 0.00 C ATOM 71 O THR A 5 -2.971 -11.940 3.591 1.00 0.00 O ATOM 72 CB THR A 5 -3.639 -14.719 5.174 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.767 -14.366 5.947 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.390 -14.188 5.889 1.00 0.00 C ATOM 0 H THR A 5 -1.875 -13.880 2.975 1.00 0.00 H new ATOM 0 HA THR A 5 -4.684 -14.641 3.319 1.00 0.00 H new ATOM 0 HB THR A 5 -3.548 -15.801 5.083 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.479 -14.106 6.847 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.346 -14.599 6.898 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.499 -14.487 5.336 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.436 -13.100 5.942 1.00 0.00 H new ATOM 82 N VAL A 6 -5.208 -12.217 3.789 1.00 0.00 N ATOM 83 CA VAL A 6 -5.574 -10.815 3.886 1.00 0.00 C ATOM 84 C VAL A 6 -6.234 -10.629 5.248 1.00 0.00 C ATOM 85 O VAL A 6 -7.208 -11.313 5.554 1.00 0.00 O ATOM 86 CB VAL A 6 -6.511 -10.416 2.732 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.839 -8.918 2.803 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.867 -10.711 1.372 1.00 0.00 C ATOM 0 H VAL A 6 -6.016 -12.840 3.796 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.700 -10.169 3.801 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.424 -11.003 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.502 -8.651 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.330 -8.698 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.918 -8.340 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.551 -10.419 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.939 -10.147 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.653 -11.777 1.294 1.00 0.00 H new ATOM 98 N ILE A 7 -5.700 -9.713 6.061 1.00 0.00 N ATOM 99 CA ILE A 7 -6.172 -9.432 7.411 1.00 0.00 C ATOM 100 C ILE A 7 -6.620 -7.973 7.447 1.00 0.00 C ATOM 101 O ILE A 7 -5.862 -7.099 7.041 1.00 0.00 O ATOM 102 CB ILE A 7 -5.043 -9.718 8.425 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.536 -11.165 8.261 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.535 -9.467 9.859 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.467 -11.567 9.281 1.00 0.00 C ATOM 0 H ILE A 7 -4.907 -9.134 5.787 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.013 -10.070 7.683 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.212 -9.040 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.381 -11.848 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.130 -11.286 7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.728 -9.673 10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.848 -8.428 9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.379 -10.122 10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.161 -12.598 9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.603 -10.910 9.181 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.874 -11.480 10.288 1.00 0.00 H new ATOM 117 N ASN A 8 -7.838 -7.704 7.933 1.00 0.00 N ATOM 118 CA ASN A 8 -8.320 -6.353 8.191 1.00 0.00 C ATOM 119 C ASN A 8 -7.552 -5.809 9.391 1.00 0.00 C ATOM 120 O ASN A 8 -7.599 -6.416 10.459 1.00 0.00 O ATOM 121 CB ASN A 8 -9.822 -6.348 8.516 1.00 0.00 C ATOM 122 CG ASN A 8 -10.671 -7.085 7.486 1.00 0.00 C ATOM 123 OD1 ASN A 8 -10.984 -6.542 6.428 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.053 -8.325 7.801 1.00 0.00 N ATOM 0 H ASN A 8 -8.519 -8.429 8.158 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.165 -5.740 7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.975 -6.804 9.494 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.166 -5.316 8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.628 -8.862 7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.769 -8.735 8.691 1.00 0.00 H new ATOM 131 N ILE A 9 -6.849 -4.687 9.215 1.00 0.00 N ATOM 132 CA ILE A 9 -6.031 -4.059 10.242 1.00 0.00 C ATOM 133 C ILE A 9 -6.505 -2.614 10.344 1.00 0.00 C ATOM 134 O ILE A 9 -6.060 -1.762 9.576 1.00 0.00 O ATOM 135 CB ILE A 9 -4.535 -4.153 9.886 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.085 -5.612 9.702 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.697 -3.474 10.982 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.662 -5.707 9.141 1.00 0.00 C ATOM 0 H ILE A 9 -6.836 -4.181 8.329 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.139 -4.562 11.203 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.381 -3.639 8.937 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.132 -6.130 10.660 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.775 -6.122 9.030 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.640 -3.543 10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.984 -2.425 11.062 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.873 -3.972 11.936 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.385 -6.755 9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.620 -5.213 8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.968 -5.221 9.826 1.00 0.00 H new ATOM 150 N ASP A 10 -7.414 -2.342 11.284 1.00 0.00 N ATOM 151 CA ASP A 10 -7.978 -1.012 11.464 1.00 0.00 C ATOM 152 C ASP A 10 -7.278 -0.305 12.623 1.00 0.00 C ATOM 153 O ASP A 10 -6.773 -0.948 13.544 1.00 0.00 O ATOM 154 CB ASP A 10 -9.498 -1.099 11.644 1.00 0.00 C ATOM 155 CG ASP A 10 -10.159 -1.759 10.435 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.425 -1.023 9.459 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.379 -2.988 10.503 1.00 0.00 O ATOM 0 H ASP A 10 -7.775 -3.038 11.937 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.805 -0.410 10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.729 -1.669 12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.908 -0.099 11.786 1.00 0.00 H new ATOM 162 N GLY A 11 -7.237 1.030 12.553 1.00 0.00 N ATOM 163 CA GLY A 11 -6.587 1.882 13.536 1.00 0.00 C ATOM 164 C GLY A 11 -5.118 2.168 13.213 1.00 0.00 C ATOM 165 O GLY A 11 -4.396 2.636 14.093 1.00 0.00 O ATOM 0 H GLY A 11 -7.667 1.553 11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.128 2.826 13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.651 1.409 14.516 1.00 0.00 H new ATOM 169 N MET A 12 -4.668 1.916 11.972 1.00 0.00 N ATOM 170 CA MET A 12 -3.319 2.259 11.529 1.00 0.00 C ATOM 171 C MET A 12 -3.068 3.753 11.744 1.00 0.00 C ATOM 172 O MET A 12 -2.136 4.131 12.448 1.00 0.00 O ATOM 173 CB MET A 12 -3.129 1.932 10.044 1.00 0.00 C ATOM 174 CG MET A 12 -3.119 0.441 9.714 1.00 0.00 C ATOM 175 SD MET A 12 -2.638 0.165 7.990 1.00 0.00 S ATOM 176 CE MET A 12 -3.120 -1.557 7.776 1.00 0.00 C ATOM 0 H MET A 12 -5.235 1.468 11.252 1.00 0.00 H new ATOM 0 HA MET A 12 -2.612 1.671 12.114 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.927 2.410 9.476 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.190 2.371 9.707 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.426 -0.078 10.377 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.108 0.018 9.892 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.807 -1.903 6.791 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.643 -2.167 8.543 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.203 -1.645 7.864 1.00 0.00 H new ATOM 225 N SER A 16 3.627 6.057 9.667 1.00 0.00 N ATOM 226 CA SER A 16 4.545 5.511 10.653 1.00 0.00 C ATOM 227 C SER A 16 4.094 4.111 11.076 1.00 0.00 C ATOM 228 O SER A 16 4.898 3.182 11.085 1.00 0.00 O ATOM 229 CB SER A 16 4.611 6.452 11.861 1.00 0.00 C ATOM 230 OG SER A 16 4.959 7.755 11.441 1.00 0.00 O ATOM 0 HA SER A 16 5.541 5.427 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.648 6.471 12.371 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.344 6.085 12.579 1.00 0.00 H new ATOM 0 HG SER A 16 4.568 7.930 10.560 1.00 0.00 H new ATOM 236 N CYS A 17 2.806 3.965 11.408 1.00 0.00 N ATOM 237 CA CYS A 17 2.216 2.700 11.821 1.00 0.00 C ATOM 238 C CYS A 17 2.272 1.683 10.685 1.00 0.00 C ATOM 239 O CYS A 17 2.627 0.532 10.926 1.00 0.00 O ATOM 240 CB CYS A 17 0.773 2.901 12.293 1.00 0.00 C ATOM 241 SG CYS A 17 0.722 4.069 13.678 1.00 0.00 S ATOM 0 H CYS A 17 2.140 4.738 11.395 1.00 0.00 H new ATOM 0 HA CYS A 17 2.797 2.312 12.658 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.163 3.274 11.471 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.346 1.945 12.598 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.491 4.512 13.828 1.00 0.00 H new ATOM 247 N VAL A 18 1.934 2.102 9.455 1.00 0.00 N ATOM 248 CA VAL A 18 2.014 1.254 8.269 1.00 0.00 C ATOM 249 C VAL A 18 3.408 0.630 8.176 1.00 0.00 C ATOM 250 O VAL A 18 3.537 -0.591 8.097 1.00 0.00 O ATOM 251 CB VAL A 18 1.691 2.061 6.995 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.838 1.205 5.731 1.00 0.00 C ATOM 253 CG2 VAL A 18 0.268 2.624 7.024 1.00 0.00 C ATOM 0 H VAL A 18 1.596 3.045 9.261 1.00 0.00 H new ATOM 0 HA VAL A 18 1.274 0.458 8.354 1.00 0.00 H new ATOM 0 HB VAL A 18 2.409 2.881 6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.602 1.808 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.862 0.840 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.154 0.358 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.080 3.186 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.446 1.804 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.155 3.284 7.884 1.00 0.00 H new ATOM 263 N GLN A 19 4.442 1.480 8.196 1.00 0.00 N ATOM 264 CA GLN A 19 5.829 1.063 8.092 1.00 0.00 C ATOM 265 C GLN A 19 6.227 0.149 9.254 1.00 0.00 C ATOM 266 O GLN A 19 6.911 -0.848 9.031 1.00 0.00 O ATOM 267 CB GLN A 19 6.730 2.303 8.007 1.00 0.00 C ATOM 268 CG GLN A 19 8.222 1.971 7.857 1.00 0.00 C ATOM 269 CD GLN A 19 8.527 1.178 6.587 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.823 1.761 5.547 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.464 -0.154 6.665 1.00 0.00 N ATOM 0 H GLN A 19 4.328 2.490 8.287 1.00 0.00 H new ATOM 0 HA GLN A 19 5.956 0.478 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.415 2.913 7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.589 2.906 8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.797 2.897 7.848 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.551 1.400 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.215 -0.602 7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.665 -0.723 5.843 1.00 0.00 H new ATOM 280 N SER A 20 5.809 0.482 10.482 1.00 0.00 N ATOM 281 CA SER A 20 6.116 -0.307 11.670 1.00 0.00 C ATOM 282 C SER A 20 5.577 -1.732 11.526 1.00 0.00 C ATOM 283 O SER A 20 6.341 -2.685 11.644 1.00 0.00 O ATOM 284 CB SER A 20 5.557 0.367 12.927 1.00 0.00 C ATOM 285 OG SER A 20 6.146 1.637 13.110 1.00 0.00 O ATOM 0 H SER A 20 5.246 1.311 10.674 1.00 0.00 H new ATOM 0 HA SER A 20 7.200 -0.365 11.773 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.475 0.470 12.841 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.749 -0.259 13.799 1.00 0.00 H new ATOM 0 HG SER A 20 5.772 2.268 12.460 1.00 0.00 H new ATOM 291 N ILE A 21 4.270 -1.867 11.261 1.00 0.00 N ATOM 292 CA ILE A 21 3.608 -3.153 11.067 1.00 0.00 C ATOM 293 C ILE A 21 4.341 -3.935 9.978 1.00 0.00 C ATOM 294 O ILE A 21 4.773 -5.060 10.214 1.00 0.00 O ATOM 295 CB ILE A 21 2.121 -2.947 10.711 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.354 -2.262 11.858 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.449 -4.294 10.394 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.065 -1.603 11.353 1.00 0.00 C ATOM 0 H ILE A 21 3.639 -1.070 11.175 1.00 0.00 H new ATOM 0 HA ILE A 21 3.643 -3.727 11.993 1.00 0.00 H new ATOM 0 HB ILE A 21 2.088 -2.302 9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.112 -2.997 12.626 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.990 -1.510 12.325 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.401 -4.128 10.145 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.953 -4.762 9.548 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.516 -4.948 11.264 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.452 -1.129 12.187 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.310 -0.851 10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.581 -2.360 10.909 1.00 0.00 H new ATOM 310 N GLU A 22 4.478 -3.330 8.792 1.00 0.00 N ATOM 311 CA GLU A 22 5.070 -3.962 7.624 1.00 0.00 C ATOM 312 C GLU A 22 6.466 -4.506 7.940 1.00 0.00 C ATOM 313 O GLU A 22 6.721 -5.690 7.736 1.00 0.00 O ATOM 314 CB GLU A 22 5.077 -2.957 6.463 1.00 0.00 C ATOM 315 CG GLU A 22 5.396 -3.630 5.126 1.00 0.00 C ATOM 316 CD GLU A 22 5.134 -2.673 3.966 1.00 0.00 C ATOM 317 OE1 GLU A 22 3.980 -2.665 3.486 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.091 -1.963 3.587 1.00 0.00 O ATOM 0 H GLU A 22 4.173 -2.372 8.622 1.00 0.00 H new ATOM 0 HA GLU A 22 4.472 -4.824 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.105 -2.468 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.813 -2.178 6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.438 -3.949 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.787 -4.526 5.010 1.00 0.00 H new ATOM 325 N GLY A 23 7.353 -3.647 8.451 1.00 0.00 N ATOM 326 CA GLY A 23 8.731 -3.985 8.769 1.00 0.00 C ATOM 327 C GLY A 23 8.831 -5.102 9.807 1.00 0.00 C ATOM 328 O GLY A 23 9.508 -6.100 9.571 1.00 0.00 O ATOM 0 H GLY A 23 7.121 -2.676 8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.247 -4.291 7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.243 -3.098 9.143 1.00 0.00 H new ATOM 332 N VAL A 24 8.165 -4.936 10.956 1.00 0.00 N ATOM 333 CA VAL A 24 8.229 -5.891 12.056 1.00 0.00 C ATOM 334 C VAL A 24 7.713 -7.260 11.606 1.00 0.00 C ATOM 335 O VAL A 24 8.417 -8.256 11.755 1.00 0.00 O ATOM 336 CB VAL A 24 7.463 -5.343 13.274 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.316 -6.399 14.377 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.200 -4.132 13.864 1.00 0.00 C ATOM 0 H VAL A 24 7.566 -4.132 11.144 1.00 0.00 H new ATOM 0 HA VAL A 24 9.267 -6.029 12.360 1.00 0.00 H new ATOM 0 HB VAL A 24 6.472 -5.056 12.923 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.770 -5.973 15.219 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.770 -7.258 13.988 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.304 -6.718 14.710 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.648 -3.754 14.725 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.200 -4.432 14.177 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.276 -3.349 13.109 1.00 0.00 H new ATOM 348 N ILE A 25 6.493 -7.311 11.057 1.00 0.00 N ATOM 349 CA ILE A 25 5.866 -8.556 10.634 1.00 0.00 C ATOM 350 C ILE A 25 6.692 -9.232 9.531 1.00 0.00 C ATOM 351 O ILE A 25 6.859 -10.449 9.575 1.00 0.00 O ATOM 352 CB ILE A 25 4.397 -8.313 10.240 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.551 -7.746 11.402 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.744 -9.592 9.699 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.331 -8.703 12.578 1.00 0.00 C ATOM 0 H ILE A 25 5.917 -6.485 10.896 1.00 0.00 H new ATOM 0 HA ILE A 25 5.848 -9.255 11.470 1.00 0.00 H new ATOM 0 HB ILE A 25 4.420 -7.561 9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.034 -6.843 11.775 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.578 -7.448 11.010 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.708 -9.386 9.430 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.287 -9.933 8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.773 -10.367 10.465 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.726 -8.211 13.340 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.816 -9.597 12.228 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.294 -8.983 13.004 1.00 0.00 H new ATOM 367 N SER A 26 7.233 -8.464 8.571 1.00 0.00 N ATOM 368 CA SER A 26 8.129 -8.980 7.535 1.00 0.00 C ATOM 369 C SER A 26 9.283 -9.798 8.126 1.00 0.00 C ATOM 370 O SER A 26 9.695 -10.794 7.536 1.00 0.00 O ATOM 371 CB SER A 26 8.683 -7.834 6.677 1.00 0.00 C ATOM 372 OG SER A 26 9.459 -8.346 5.616 1.00 0.00 O ATOM 0 H SER A 26 7.057 -7.462 8.496 1.00 0.00 H new ATOM 0 HA SER A 26 7.538 -9.646 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.861 -7.238 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.290 -7.170 7.293 1.00 0.00 H new ATOM 0 HG SER A 26 9.805 -7.605 5.076 1.00 0.00 H new ATOM 378 N LYS A 27 9.793 -9.383 9.294 1.00 0.00 N ATOM 379 CA LYS A 27 10.959 -9.987 9.920 1.00 0.00 C ATOM 380 C LYS A 27 10.581 -11.154 10.841 1.00 0.00 C ATOM 381 O LYS A 27 11.475 -11.890 11.258 1.00 0.00 O ATOM 382 CB LYS A 27 11.734 -8.913 10.697 1.00 0.00 C ATOM 383 CG LYS A 27 12.379 -7.892 9.750 1.00 0.00 C ATOM 384 CD LYS A 27 12.960 -6.684 10.501 1.00 0.00 C ATOM 385 CE LYS A 27 14.033 -7.046 11.535 1.00 0.00 C ATOM 386 NZ LYS A 27 15.161 -7.774 10.930 1.00 0.00 N ATOM 0 H LYS A 27 9.398 -8.610 9.830 1.00 0.00 H new ATOM 0 HA LYS A 27 11.591 -10.399 9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.059 -8.400 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.506 -9.387 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.171 -8.378 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.636 -7.547 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.388 -5.991 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.149 -6.158 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.401 -6.136 12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.588 -7.656 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.893 -7.939 11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.827 -8.687 10.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.561 -7.211 10.152 1.00 0.00 H new ATOM 400 N LYS A 28 9.292 -11.355 11.157 1.00 0.00 N ATOM 401 CA LYS A 28 8.880 -12.502 11.959 1.00 0.00 C ATOM 402 C LYS A 28 8.966 -13.787 11.120 1.00 0.00 C ATOM 403 O LYS A 28 8.598 -13.760 9.945 1.00 0.00 O ATOM 404 CB LYS A 28 7.471 -12.312 12.534 1.00 0.00 C ATOM 405 CG LYS A 28 7.447 -11.202 13.593 1.00 0.00 C ATOM 406 CD LYS A 28 6.183 -11.302 14.455 1.00 0.00 C ATOM 407 CE LYS A 28 6.094 -10.168 15.485 1.00 0.00 C ATOM 408 NZ LYS A 28 7.268 -10.121 16.374 1.00 0.00 N ATOM 0 H LYS A 28 8.529 -10.742 10.870 1.00 0.00 H new ATOM 0 HA LYS A 28 9.562 -12.589 12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.778 -12.066 11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.127 -13.247 12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.331 -11.277 14.226 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.485 -10.227 13.106 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.303 -11.276 13.812 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.172 -12.262 14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.998 -9.215 14.964 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.193 -10.296 16.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.094 -9.443 17.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.437 -11.065 16.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.103 -9.822 15.831 1.00 0.00 H new ATOM 422 N PRO A 29 9.442 -14.907 11.702 1.00 0.00 N ATOM 423 CA PRO A 29 9.559 -16.196 11.032 1.00 0.00 C ATOM 424 C PRO A 29 8.322 -16.580 10.220 1.00 0.00 C ATOM 425 O PRO A 29 7.193 -16.386 10.667 1.00 0.00 O ATOM 426 CB PRO A 29 9.814 -17.218 12.141 1.00 0.00 C ATOM 427 CG PRO A 29 10.593 -16.403 13.167 1.00 0.00 C ATOM 428 CD PRO A 29 9.951 -15.019 13.063 1.00 0.00 C ATOM 0 HA PRO A 29 10.367 -16.157 10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.884 -17.609 12.554 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.387 -18.073 11.782 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.497 -16.818 14.170 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.658 -16.373 12.935 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.146 -14.908 13.790 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.679 -14.235 13.272 1.00 0.00 H new ATOM 436 N GLY A 30 8.554 -17.124 9.020 1.00 0.00 N ATOM 437 CA GLY A 30 7.503 -17.585 8.134 1.00 0.00 C ATOM 438 C GLY A 30 7.109 -16.536 7.102 1.00 0.00 C ATOM 439 O GLY A 30 6.843 -16.900 5.958 1.00 0.00 O ATOM 0 H GLY A 30 9.492 -17.254 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.834 -18.488 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.628 -17.856 8.724 1.00 0.00 H new ATOM 443 N VAL A 31 7.059 -15.254 7.488 1.00 0.00 N ATOM 444 CA VAL A 31 6.609 -14.192 6.598 1.00 0.00 C ATOM 445 C VAL A 31 7.632 -13.972 5.484 1.00 0.00 C ATOM 446 O VAL A 31 8.831 -13.901 5.745 1.00 0.00 O ATOM 447 CB VAL A 31 6.330 -12.899 7.379 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.809 -11.806 6.435 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.269 -13.160 8.454 1.00 0.00 C ATOM 0 H VAL A 31 7.328 -14.933 8.418 1.00 0.00 H new ATOM 0 HA VAL A 31 5.669 -14.495 6.137 1.00 0.00 H new ATOM 0 HB VAL A 31 7.261 -12.570 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.616 -10.896 7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.555 -11.603 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.885 -12.142 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.075 -12.240 9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.348 -13.501 7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.628 -13.925 9.142 1.00 0.00 H new ATOM 459 N LYS A 32 7.135 -13.867 4.246 1.00 0.00 N ATOM 460 CA LYS A 32 7.923 -13.601 3.055 1.00 0.00 C ATOM 461 C LYS A 32 7.693 -12.141 2.654 1.00 0.00 C ATOM 462 O LYS A 32 8.259 -11.248 3.281 1.00 0.00 O ATOM 463 CB LYS A 32 7.556 -14.617 1.961 1.00 0.00 C ATOM 464 CG LYS A 32 7.794 -16.057 2.435 1.00 0.00 C ATOM 465 CD LYS A 32 7.693 -17.025 1.252 1.00 0.00 C ATOM 466 CE LYS A 32 7.749 -18.484 1.714 1.00 0.00 C ATOM 467 NZ LYS A 32 6.494 -18.896 2.367 1.00 0.00 N ATOM 0 H LYS A 32 6.140 -13.970 4.048 1.00 0.00 H new ATOM 0 HA LYS A 32 8.991 -13.726 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.510 -14.492 1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.150 -14.423 1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.778 -16.138 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.061 -16.323 3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.761 -16.848 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.506 -16.832 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.943 -19.130 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.580 -18.615 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.515 -19.921 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.390 -18.390 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.690 -18.668 1.748 1.00 0.00 H new ATOM 481 N SER A 33 6.860 -11.885 1.634 1.00 0.00 N ATOM 482 CA SER A 33 6.460 -10.541 1.242 1.00 0.00 C ATOM 483 C SER A 33 5.233 -10.107 2.050 1.00 0.00 C ATOM 484 O SER A 33 4.448 -10.944 2.494 1.00 0.00 O ATOM 485 CB SER A 33 6.189 -10.495 -0.266 1.00 0.00 C ATOM 486 OG SER A 33 5.167 -11.396 -0.637 1.00 0.00 O ATOM 0 H SER A 33 6.446 -12.618 1.058 1.00 0.00 H new ATOM 0 HA SER A 33 7.267 -9.841 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.905 -9.483 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.103 -10.737 -0.808 1.00 0.00 H new ATOM 0 HG SER A 33 5.530 -12.306 -0.673 1.00 0.00 H new ATOM 492 N ILE A 34 5.077 -8.793 2.243 1.00 0.00 N ATOM 493 CA ILE A 34 3.937 -8.209 2.936 1.00 0.00 C ATOM 494 C ILE A 34 3.665 -6.806 2.389 1.00 0.00 C ATOM 495 O ILE A 34 4.602 -6.055 2.120 1.00 0.00 O ATOM 496 CB ILE A 34 4.146 -8.242 4.463 1.00 0.00 C ATOM 497 CG1 ILE A 34 2.999 -7.495 5.166 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.513 -7.680 4.880 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.977 -7.702 6.683 1.00 0.00 C ATOM 0 H ILE A 34 5.751 -8.101 1.916 1.00 0.00 H new ATOM 0 HA ILE A 34 3.044 -8.805 2.746 1.00 0.00 H new ATOM 0 HB ILE A 34 4.135 -9.286 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.085 -6.429 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.049 -7.827 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.610 -7.726 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.305 -8.271 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.596 -6.644 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.143 -7.147 7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.860 -8.763 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.912 -7.343 7.113 1.00 0.00 H new ATOM 511 N ARG A 35 2.379 -6.466 2.233 1.00 0.00 N ATOM 512 CA ARG A 35 1.910 -5.165 1.776 1.00 0.00 C ATOM 513 C ARG A 35 0.842 -4.662 2.746 1.00 0.00 C ATOM 514 O ARG A 35 -0.252 -5.223 2.795 1.00 0.00 O ATOM 515 CB ARG A 35 1.327 -5.288 0.363 1.00 0.00 C ATOM 516 CG ARG A 35 2.404 -5.649 -0.667 1.00 0.00 C ATOM 517 CD ARG A 35 1.791 -5.838 -2.060 1.00 0.00 C ATOM 518 NE ARG A 35 1.075 -4.639 -2.515 1.00 0.00 N ATOM 519 CZ ARG A 35 1.648 -3.523 -2.999 1.00 0.00 C ATOM 520 NH1 ARG A 35 2.981 -3.421 -3.108 1.00 0.00 N ATOM 521 NH2 ARG A 35 0.876 -2.497 -3.377 1.00 0.00 N ATOM 0 H ARG A 35 1.617 -7.115 2.430 1.00 0.00 H new ATOM 0 HA ARG A 35 2.740 -4.459 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.548 -6.050 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.855 -4.347 0.081 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.158 -4.862 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.912 -6.564 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.579 -6.082 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.105 -6.685 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 35 0.057 -4.654 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.577 -4.198 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.399 -2.567 -3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.139 -2.565 -3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.302 -1.647 -3.745 1.00 0.00 H new ATOM 535 N VAL A 36 1.162 -3.608 3.509 1.00 0.00 N ATOM 536 CA VAL A 36 0.259 -2.981 4.467 1.00 0.00 C ATOM 537 C VAL A 36 -0.289 -1.692 3.849 1.00 0.00 C ATOM 538 O VAL A 36 0.487 -0.819 3.464 1.00 0.00 O ATOM 539 CB VAL A 36 1.003 -2.720 5.789 1.00 0.00 C ATOM 540 CG1 VAL A 36 0.051 -2.169 6.855 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.618 -4.013 6.336 1.00 0.00 C ATOM 0 H VAL A 36 2.079 -3.162 3.472 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.581 -3.637 4.695 1.00 0.00 H new ATOM 0 HB VAL A 36 1.786 -1.993 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.602 -1.993 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.382 -1.231 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.746 -2.890 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.138 -3.802 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.829 -4.743 6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.325 -4.415 5.610 1.00 0.00 H new ATOM 551 N SER A 37 -1.622 -1.583 3.750 1.00 0.00 N ATOM 552 CA SER A 37 -2.324 -0.445 3.165 1.00 0.00 C ATOM 553 C SER A 37 -3.164 0.270 4.223 1.00 0.00 C ATOM 554 O SER A 37 -4.031 -0.345 4.842 1.00 0.00 O ATOM 555 CB SER A 37 -3.219 -0.937 2.023 1.00 0.00 C ATOM 556 OG SER A 37 -3.994 0.130 1.510 1.00 0.00 O ATOM 0 H SER A 37 -2.255 -2.309 4.086 1.00 0.00 H new ATOM 0 HA SER A 37 -1.593 0.264 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.606 -1.364 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.874 -1.731 2.382 1.00 0.00 H new ATOM 0 HG SER A 37 -4.659 -0.221 0.881 1.00 0.00 H new ATOM 562 N LEU A 38 -2.922 1.577 4.397 1.00 0.00 N ATOM 563 CA LEU A 38 -3.744 2.475 5.201 1.00 0.00 C ATOM 564 C LEU A 38 -5.090 2.701 4.513 1.00 0.00 C ATOM 565 O LEU A 38 -6.135 2.596 5.154 1.00 0.00 O ATOM 566 CB LEU A 38 -2.991 3.801 5.400 1.00 0.00 C ATOM 567 CG LEU A 38 -3.781 4.901 6.132 1.00 0.00 C ATOM 568 CD1 LEU A 38 -4.160 4.488 7.557 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.925 6.171 6.200 1.00 0.00 C ATOM 0 H LEU A 38 -2.125 2.046 3.967 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.937 2.033 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.076 3.601 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.692 4.180 4.423 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.701 5.075 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.716 5.295 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.779 3.591 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.255 4.283 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.478 6.955 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.003 5.960 6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.685 6.502 5.190 1.00 0.00 H new ATOM 581 N ALA A 39 -5.055 3.012 3.211 1.00 0.00 N ATOM 582 CA ALA A 39 -6.228 3.300 2.395 1.00 0.00 C ATOM 583 C ALA A 39 -7.280 2.197 2.511 1.00 0.00 C ATOM 584 O ALA A 39 -8.459 2.487 2.704 1.00 0.00 O ATOM 585 CB ALA A 39 -5.800 3.493 0.938 1.00 0.00 C ATOM 0 H ALA A 39 -4.182 3.070 2.687 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.687 4.218 2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.676 3.708 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.098 4.324 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.320 2.584 0.576 1.00 0.00 H new ATOM 591 N ASN A 40 -6.847 0.935 2.404 1.00 0.00 N ATOM 592 CA ASN A 40 -7.720 -0.226 2.523 1.00 0.00 C ATOM 593 C ASN A 40 -7.829 -0.707 3.975 1.00 0.00 C ATOM 594 O ASN A 40 -8.727 -1.490 4.279 1.00 0.00 O ATOM 595 CB ASN A 40 -7.193 -1.351 1.627 1.00 0.00 C ATOM 596 CG ASN A 40 -7.101 -0.930 0.163 1.00 0.00 C ATOM 597 OD1 ASN A 40 -6.006 -0.727 -0.358 1.00 0.00 O ATOM 598 ND2 ASN A 40 -8.248 -0.796 -0.504 1.00 0.00 N ATOM 0 H ASN A 40 -5.871 0.695 2.231 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.721 0.063 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.208 -1.660 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.848 -2.218 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.238 -0.515 -1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.135 -0.974 -0.034 1.00 0.00 H new ATOM 605 N SER A 41 -6.929 -0.254 4.862 1.00 0.00 N ATOM 606 CA SER A 41 -6.861 -0.648 6.265 1.00 0.00 C ATOM 607 C SER A 41 -6.773 -2.169 6.388 1.00 0.00 C ATOM 608 O SER A 41 -7.581 -2.797 7.071 1.00 0.00 O ATOM 609 CB SER A 41 -8.026 -0.040 7.057 1.00 0.00 C ATOM 610 OG SER A 41 -7.908 1.367 7.074 1.00 0.00 O ATOM 0 H SER A 41 -6.207 0.420 4.606 1.00 0.00 H new ATOM 0 HA SER A 41 -5.950 -0.248 6.710 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.975 -0.329 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.026 -0.427 8.076 1.00 0.00 H new ATOM 0 HG SER A 41 -7.267 1.650 6.389 1.00 0.00 H new ATOM 616 N ASN A 42 -5.779 -2.757 5.710 1.00 0.00 N ATOM 617 CA ASN A 42 -5.555 -4.194 5.701 1.00 0.00 C ATOM 618 C ASN A 42 -4.089 -4.516 5.416 1.00 0.00 C ATOM 619 O ASN A 42 -3.337 -3.667 4.937 1.00 0.00 O ATOM 620 CB ASN A 42 -6.519 -4.895 4.726 1.00 0.00 C ATOM 621 CG ASN A 42 -6.313 -4.551 3.249 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.369 -3.863 2.872 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.211 -5.045 2.396 1.00 0.00 N ATOM 0 H ASN A 42 -5.105 -2.236 5.149 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.774 -4.587 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.416 -5.973 4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.541 -4.639 5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.125 -4.855 1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.984 -5.613 2.742 1.00 0.00 H new ATOM 630 N GLY A 43 -3.702 -5.757 5.720 1.00 0.00 N ATOM 631 CA GLY A 43 -2.380 -6.304 5.487 1.00 0.00 C ATOM 632 C GLY A 43 -2.515 -7.571 4.655 1.00 0.00 C ATOM 633 O GLY A 43 -3.152 -8.528 5.093 1.00 0.00 O ATOM 0 H GLY A 43 -4.334 -6.430 6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.756 -5.576 4.968 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.890 -6.525 6.435 1.00 0.00 H new ATOM 637 N THR A 44 -1.900 -7.570 3.467 1.00 0.00 N ATOM 638 CA THR A 44 -1.840 -8.713 2.571 1.00 0.00 C ATOM 639 C THR A 44 -0.474 -9.355 2.788 1.00 0.00 C ATOM 640 O THR A 44 0.538 -8.811 2.348 1.00 0.00 O ATOM 641 CB THR A 44 -2.047 -8.243 1.124 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.328 -7.657 1.012 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.944 -9.407 0.132 1.00 0.00 C ATOM 0 H THR A 44 -1.420 -6.749 3.099 1.00 0.00 H new ATOM 0 HA THR A 44 -2.624 -9.444 2.771 1.00 0.00 H new ATOM 0 HB THR A 44 -1.266 -7.521 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.469 -7.352 0.091 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.096 -9.036 -0.882 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.957 -9.863 0.207 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.706 -10.151 0.364 1.00 0.00 H new ATOM 651 N VAL A 45 -0.460 -10.489 3.498 1.00 0.00 N ATOM 652 CA VAL A 45 0.743 -11.142 3.990 1.00 0.00 C ATOM 653 C VAL A 45 0.932 -12.477 3.270 1.00 0.00 C ATOM 654 O VAL A 45 0.015 -13.295 3.252 1.00 0.00 O ATOM 655 CB VAL A 45 0.632 -11.372 5.512 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.000 -11.773 6.078 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.114 -10.136 6.259 1.00 0.00 C ATOM 0 H VAL A 45 -1.314 -10.987 3.750 1.00 0.00 H new ATOM 0 HA VAL A 45 1.605 -10.504 3.793 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.092 -12.173 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.916 -11.934 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.337 -12.692 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.721 -10.978 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.056 -10.353 7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.795 -9.300 6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.877 -9.875 5.887 1.00 0.00 H new ATOM 667 N GLU A 46 2.124 -12.694 2.702 1.00 0.00 N ATOM 668 CA GLU A 46 2.562 -13.980 2.178 1.00 0.00 C ATOM 669 C GLU A 46 3.400 -14.639 3.269 1.00 0.00 C ATOM 670 O GLU A 46 4.255 -13.981 3.860 1.00 0.00 O ATOM 671 CB GLU A 46 3.377 -13.770 0.898 1.00 0.00 C ATOM 672 CG GLU A 46 3.826 -15.100 0.279 1.00 0.00 C ATOM 673 CD GLU A 46 4.627 -14.868 -0.998 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.688 -14.215 -0.891 1.00 0.00 O ATOM 675 OE2 GLU A 46 4.166 -15.345 -2.057 1.00 0.00 O ATOM 0 H GLU A 46 2.823 -11.959 2.594 1.00 0.00 H new ATOM 0 HA GLU A 46 1.717 -14.617 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.779 -13.217 0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.252 -13.160 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.432 -15.653 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.954 -15.715 0.058 1.00 0.00 H new ATOM 682 N TYR A 47 3.146 -15.921 3.552 1.00 0.00 N ATOM 683 CA TYR A 47 3.750 -16.613 4.680 1.00 0.00 C ATOM 684 C TYR A 47 3.914 -18.108 4.409 1.00 0.00 C ATOM 685 O TYR A 47 3.378 -18.633 3.432 1.00 0.00 O ATOM 686 CB TYR A 47 2.904 -16.370 5.937 1.00 0.00 C ATOM 687 CG TYR A 47 1.559 -17.075 5.924 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.504 -16.563 5.147 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.398 -18.302 6.595 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.694 -17.286 5.022 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.196 -19.019 6.474 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.845 -18.519 5.675 1.00 0.00 C ATOM 693 OH TYR A 47 -2.002 -19.227 5.528 1.00 0.00 O ATOM 0 H TYR A 47 2.515 -16.503 3.001 1.00 0.00 H new ATOM 0 HA TYR A 47 4.751 -16.212 4.836 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.467 -16.700 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.740 -15.298 6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.615 -15.613 4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.200 -18.693 7.204 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.501 -16.892 4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.072 -19.956 6.996 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.945 -20.058 6.044 1.00 0.00 H new ATOM 703 N ASP A 48 4.651 -18.781 5.302 1.00 0.00 N ATOM 704 CA ASP A 48 4.845 -20.224 5.311 1.00 0.00 C ATOM 705 C ASP A 48 3.978 -20.845 6.416 1.00 0.00 C ATOM 706 O ASP A 48 4.290 -20.651 7.591 1.00 0.00 O ATOM 707 CB ASP A 48 6.331 -20.532 5.557 1.00 0.00 C ATOM 708 CG ASP A 48 6.664 -22.026 5.526 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.749 -22.833 5.251 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.846 -22.338 5.784 1.00 0.00 O ATOM 0 H ASP A 48 5.143 -18.312 6.063 1.00 0.00 H new ATOM 0 HA ASP A 48 4.550 -20.648 4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.929 -20.020 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.622 -20.124 6.525 1.00 0.00 H new ATOM 715 N PRO A 49 2.922 -21.604 6.067 1.00 0.00 N ATOM 716 CA PRO A 49 2.121 -22.408 6.986 1.00 0.00 C ATOM 717 C PRO A 49 2.917 -23.173 8.048 1.00 0.00 C ATOM 718 O PRO A 49 2.473 -23.275 9.189 1.00 0.00 O ATOM 719 CB PRO A 49 1.336 -23.373 6.099 1.00 0.00 C ATOM 720 CG PRO A 49 1.100 -22.540 4.846 1.00 0.00 C ATOM 721 CD PRO A 49 2.398 -21.742 4.717 1.00 0.00 C ATOM 0 HA PRO A 49 1.488 -21.745 7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.901 -24.280 5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.400 -23.683 6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.922 -23.166 3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.233 -21.887 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.110 -22.258 4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.213 -20.766 4.269 1.00 0.00 H new ATOM 729 N LEU A 50 4.083 -23.717 7.674 1.00 0.00 N ATOM 730 CA LEU A 50 4.921 -24.503 8.569 1.00 0.00 C ATOM 731 C LEU A 50 5.419 -23.677 9.761 1.00 0.00 C ATOM 732 O LEU A 50 5.562 -24.215 10.856 1.00 0.00 O ATOM 733 CB LEU A 50 6.120 -25.080 7.801 1.00 0.00 C ATOM 734 CG LEU A 50 5.748 -25.950 6.587 1.00 0.00 C ATOM 735 CD1 LEU A 50 7.035 -26.361 5.861 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.971 -27.206 6.997 1.00 0.00 C ATOM 0 H LEU A 50 4.467 -23.619 6.734 1.00 0.00 H new ATOM 0 HA LEU A 50 4.308 -25.316 8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.747 -24.256 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.721 -25.676 8.488 1.00 0.00 H new ATOM 0 HG LEU A 50 5.103 -25.363 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.785 -26.978 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.565 -25.469 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.671 -26.928 6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.729 -27.790 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.581 -27.807 7.672 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.050 -26.915 7.502 1.00 0.00 H new ATOM 748 N LEU A 51 5.697 -22.384 9.543 1.00 0.00 N ATOM 749 CA LEU A 51 6.354 -21.511 10.508 1.00 0.00 C ATOM 750 C LEU A 51 5.374 -20.545 11.181 1.00 0.00 C ATOM 751 O LEU A 51 5.588 -20.186 12.339 1.00 0.00 O ATOM 752 CB LEU A 51 7.487 -20.752 9.807 1.00 0.00 C ATOM 753 CG LEU A 51 8.603 -21.669 9.270 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.595 -20.842 8.446 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.364 -22.375 10.401 1.00 0.00 C ATOM 0 H LEU A 51 5.464 -21.912 8.669 1.00 0.00 H new ATOM 0 HA LEU A 51 6.766 -22.129 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.071 -20.177 8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.921 -20.037 10.506 1.00 0.00 H new ATOM 0 HG LEU A 51 8.130 -22.432 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.384 -21.492 8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.074 -20.377 7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.034 -20.068 9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.141 -23.010 9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.821 -21.630 11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.671 -22.986 10.979 1.00 0.00 H new ATOM 767 N THR A 52 4.314 -20.115 10.483 1.00 0.00 N ATOM 768 CA THR A 52 3.309 -19.204 11.026 1.00 0.00 C ATOM 769 C THR A 52 1.949 -19.468 10.373 1.00 0.00 C ATOM 770 O THR A 52 1.842 -20.311 9.485 1.00 0.00 O ATOM 771 CB THR A 52 3.788 -17.748 10.875 1.00 0.00 C ATOM 772 OG1 THR A 52 2.984 -16.882 11.648 1.00 0.00 O ATOM 773 CG2 THR A 52 3.769 -17.275 9.419 1.00 0.00 C ATOM 0 H THR A 52 4.133 -20.394 9.519 1.00 0.00 H new ATOM 0 HA THR A 52 3.177 -19.382 12.093 1.00 0.00 H new ATOM 0 HB THR A 52 4.819 -17.721 11.228 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.301 -15.961 11.543 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.115 -16.243 9.367 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.425 -17.908 8.822 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.753 -17.337 9.030 1.00 0.00 H new ATOM 781 N SER A 53 0.910 -18.752 10.819 1.00 0.00 N ATOM 782 CA SER A 53 -0.464 -18.923 10.362 1.00 0.00 C ATOM 783 C SER A 53 -1.196 -17.575 10.390 1.00 0.00 C ATOM 784 O SER A 53 -0.722 -16.655 11.056 1.00 0.00 O ATOM 785 CB SER A 53 -1.170 -19.953 11.255 1.00 0.00 C ATOM 786 OG SER A 53 -1.467 -19.399 12.521 1.00 0.00 O ATOM 0 H SER A 53 1.009 -18.022 11.524 1.00 0.00 H new ATOM 0 HA SER A 53 -0.470 -19.288 9.335 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.089 -20.288 10.775 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.536 -20.831 11.377 1.00 0.00 H new ATOM 0 HG SER A 53 -1.918 -20.071 13.074 1.00 0.00 H new ATOM 792 N PRO A 54 -2.346 -17.435 9.705 1.00 0.00 N ATOM 793 CA PRO A 54 -3.152 -16.221 9.733 1.00 0.00 C ATOM 794 C PRO A 54 -3.488 -15.776 11.157 1.00 0.00 C ATOM 795 O PRO A 54 -3.425 -14.588 11.460 1.00 0.00 O ATOM 796 CB PRO A 54 -4.417 -16.539 8.928 1.00 0.00 C ATOM 797 CG PRO A 54 -3.948 -17.634 7.975 1.00 0.00 C ATOM 798 CD PRO A 54 -2.975 -18.425 8.846 1.00 0.00 C ATOM 0 HA PRO A 54 -2.603 -15.384 9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.229 -16.882 9.570 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.784 -15.665 8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.776 -18.251 7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.461 -17.223 7.091 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.496 -19.182 9.432 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.236 -18.946 8.238 1.00 0.00 H new ATOM 806 N GLU A 55 -3.834 -16.733 12.027 1.00 0.00 N ATOM 807 CA GLU A 55 -4.176 -16.477 13.417 1.00 0.00 C ATOM 808 C GLU A 55 -2.965 -15.970 14.206 1.00 0.00 C ATOM 809 O GLU A 55 -3.107 -15.062 15.023 1.00 0.00 O ATOM 810 CB GLU A 55 -4.752 -17.743 14.058 1.00 0.00 C ATOM 811 CG GLU A 55 -6.037 -18.183 13.348 1.00 0.00 C ATOM 812 CD GLU A 55 -6.769 -19.247 14.158 1.00 0.00 C ATOM 813 OE1 GLU A 55 -6.449 -20.438 13.957 1.00 0.00 O ATOM 814 OE2 GLU A 55 -7.635 -18.846 14.968 1.00 0.00 O ATOM 0 H GLU A 55 -3.883 -17.720 11.773 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.934 -15.694 13.443 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.015 -18.545 14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.960 -17.559 15.112 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.688 -17.322 13.199 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.795 -18.575 12.360 1.00 0.00 H new ATOM 821 N THR A 56 -1.781 -16.546 13.969 1.00 0.00 N ATOM 822 CA THR A 56 -0.546 -16.102 14.604 1.00 0.00 C ATOM 823 C THR A 56 -0.229 -14.660 14.196 1.00 0.00 C ATOM 824 O THR A 56 0.085 -13.832 15.048 1.00 0.00 O ATOM 825 CB THR A 56 0.606 -17.046 14.231 1.00 0.00 C ATOM 826 OG1 THR A 56 0.241 -18.384 14.500 1.00 0.00 O ATOM 827 CG2 THR A 56 1.886 -16.719 15.006 1.00 0.00 C ATOM 0 H THR A 56 -1.657 -17.332 13.331 1.00 0.00 H new ATOM 0 HA THR A 56 -0.672 -16.127 15.686 1.00 0.00 H new ATOM 0 HB THR A 56 0.802 -16.911 13.167 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.330 -18.719 13.777 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.676 -17.410 14.712 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.196 -15.698 14.783 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.699 -16.816 16.075 1.00 0.00 H new ATOM 835 N LEU A 57 -0.315 -14.367 12.892 1.00 0.00 N ATOM 836 CA LEU A 57 -0.044 -13.050 12.331 1.00 0.00 C ATOM 837 C LEU A 57 -1.023 -12.016 12.888 1.00 0.00 C ATOM 838 O LEU A 57 -0.604 -10.949 13.331 1.00 0.00 O ATOM 839 CB LEU A 57 -0.107 -13.121 10.798 1.00 0.00 C ATOM 840 CG LEU A 57 0.993 -14.015 10.201 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.641 -14.376 8.752 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.364 -13.335 10.242 1.00 0.00 C ATOM 0 H LEU A 57 -0.581 -15.057 12.189 1.00 0.00 H new ATOM 0 HA LEU A 57 0.959 -12.733 12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.083 -13.501 10.495 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.015 -12.115 10.387 1.00 0.00 H new ATOM 0 HG LEU A 57 1.049 -14.919 10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.424 -15.009 8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.308 -14.911 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.557 -13.465 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.113 -14.000 9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.328 -12.409 9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.629 -13.112 11.276 1.00 0.00 H new ATOM 854 N ARG A 58 -2.320 -12.343 12.890 1.00 0.00 N ATOM 855 CA ARG A 58 -3.369 -11.555 13.525 1.00 0.00 C ATOM 856 C ARG A 58 -2.989 -11.253 14.978 1.00 0.00 C ATOM 857 O ARG A 58 -3.066 -10.104 15.405 1.00 0.00 O ATOM 858 CB ARG A 58 -4.685 -12.336 13.436 1.00 0.00 C ATOM 859 CG ARG A 58 -5.874 -11.606 14.078 1.00 0.00 C ATOM 860 CD ARG A 58 -7.109 -12.510 14.092 1.00 0.00 C ATOM 861 NE ARG A 58 -6.873 -13.711 14.905 1.00 0.00 N ATOM 862 CZ ARG A 58 -7.588 -14.846 14.855 1.00 0.00 C ATOM 863 NH1 ARG A 58 -8.652 -14.960 14.048 1.00 0.00 N ATOM 864 NH2 ARG A 58 -7.230 -15.882 15.625 1.00 0.00 N ATOM 0 H ARG A 58 -2.673 -13.186 12.437 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.491 -10.599 13.015 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.912 -12.532 12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.558 -13.304 13.921 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.621 -11.310 15.096 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.090 -10.692 13.524 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.962 -11.960 14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.363 -12.801 13.073 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.097 -13.679 15.566 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.931 -14.176 13.458 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.183 -15.831 14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.421 -15.804 16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.766 -16.749 15.595 1.00 0.00 H new ATOM 878 N GLY A 59 -2.568 -12.283 15.724 1.00 0.00 N ATOM 879 CA GLY A 59 -2.114 -12.171 17.101 1.00 0.00 C ATOM 880 C GLY A 59 -0.954 -11.186 17.250 1.00 0.00 C ATOM 881 O GLY A 59 -0.961 -10.368 18.165 1.00 0.00 O ATOM 0 H GLY A 59 -2.536 -13.239 15.370 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.944 -11.850 17.730 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.803 -13.152 17.460 1.00 0.00 H new ATOM 885 N ALA A 60 0.039 -11.261 16.355 1.00 0.00 N ATOM 886 CA ALA A 60 1.199 -10.378 16.365 1.00 0.00 C ATOM 887 C ALA A 60 0.785 -8.919 16.152 1.00 0.00 C ATOM 888 O ALA A 60 1.198 -8.044 16.907 1.00 0.00 O ATOM 889 CB ALA A 60 2.201 -10.828 15.299 1.00 0.00 C ATOM 0 H ALA A 60 0.054 -11.945 15.599 1.00 0.00 H new ATOM 0 HA ALA A 60 1.677 -10.440 17.343 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.066 -10.165 15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.523 -11.848 15.509 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.729 -10.792 14.317 1.00 0.00 H new ATOM 895 N ILE A 61 -0.035 -8.660 15.129 1.00 0.00 N ATOM 896 CA ILE A 61 -0.532 -7.326 14.807 1.00 0.00 C ATOM 897 C ILE A 61 -1.363 -6.775 15.974 1.00 0.00 C ATOM 898 O ILE A 61 -1.240 -5.603 16.331 1.00 0.00 O ATOM 899 CB ILE A 61 -1.334 -7.393 13.494 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.444 -7.825 12.312 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.955 -6.026 13.183 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.266 -8.461 11.186 1.00 0.00 C ATOM 0 H ILE A 61 -0.375 -9.383 14.495 1.00 0.00 H new ATOM 0 HA ILE A 61 0.299 -6.637 14.659 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.120 -8.136 13.627 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.093 -6.959 11.926 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.305 -8.535 12.661 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.519 -6.086 12.252 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.623 -5.737 13.994 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.165 -5.282 13.081 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.603 -8.752 10.371 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.783 -9.342 11.566 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.998 -7.742 10.819 1.00 0.00 H new ATOM 914 N GLU A 62 -2.202 -7.625 16.578 1.00 0.00 N ATOM 915 CA GLU A 62 -2.998 -7.287 17.749 1.00 0.00 C ATOM 916 C GLU A 62 -2.095 -6.920 18.930 1.00 0.00 C ATOM 917 O GLU A 62 -2.370 -5.948 19.630 1.00 0.00 O ATOM 918 CB GLU A 62 -3.937 -8.456 18.072 1.00 0.00 C ATOM 919 CG GLU A 62 -4.944 -8.106 19.171 1.00 0.00 C ATOM 920 CD GLU A 62 -5.938 -9.246 19.367 1.00 0.00 C ATOM 921 OE1 GLU A 62 -5.613 -10.156 20.160 1.00 0.00 O ATOM 922 OE2 GLU A 62 -7.004 -9.191 18.715 1.00 0.00 O ATOM 0 H GLU A 62 -2.344 -8.582 16.256 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.609 -6.408 17.542 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.474 -8.748 17.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.347 -9.318 18.384 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.418 -7.910 20.105 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.477 -7.192 18.907 1.00 0.00 H new ATOM 929 N ASP A 63 -1.018 -7.687 19.142 1.00 0.00 N ATOM 930 CA ASP A 63 -0.038 -7.440 20.191 1.00 0.00 C ATOM 931 C ASP A 63 0.661 -6.093 19.986 1.00 0.00 C ATOM 932 O ASP A 63 0.851 -5.359 20.954 1.00 0.00 O ATOM 933 CB ASP A 63 0.963 -8.599 20.254 1.00 0.00 C ATOM 934 CG ASP A 63 1.975 -8.403 21.380 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.605 -8.704 22.536 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.099 -7.955 21.065 1.00 0.00 O ATOM 0 H ASP A 63 -0.806 -8.509 18.576 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.553 -7.386 21.150 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.427 -9.536 20.404 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.487 -8.680 19.302 1.00 0.00 H new ATOM 941 N MET A 64 1.031 -5.759 18.740 1.00 0.00 N ATOM 942 CA MET A 64 1.581 -4.448 18.408 1.00 0.00 C ATOM 943 C MET A 64 0.586 -3.343 18.777 1.00 0.00 C ATOM 944 O MET A 64 0.984 -2.345 19.375 1.00 0.00 O ATOM 945 CB MET A 64 1.978 -4.366 16.928 1.00 0.00 C ATOM 946 CG MET A 64 3.205 -5.231 16.615 1.00 0.00 C ATOM 947 SD MET A 64 3.774 -5.148 14.895 1.00 0.00 S ATOM 948 CE MET A 64 4.431 -3.460 14.867 1.00 0.00 C ATOM 0 H MET A 64 0.956 -6.391 17.943 1.00 0.00 H new ATOM 0 HA MET A 64 2.488 -4.302 18.995 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.140 -4.687 16.309 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.189 -3.329 16.666 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.023 -4.927 17.269 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.972 -6.268 16.856 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.011 -3.310 13.956 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.606 -2.748 14.893 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.072 -3.304 15.735 1.00 0.00 H new ATOM 958 N GLY A 65 -0.698 -3.532 18.440 1.00 0.00 N ATOM 959 CA GLY A 65 -1.789 -2.686 18.903 1.00 0.00 C ATOM 960 C GLY A 65 -2.608 -2.129 17.747 1.00 0.00 C ATOM 961 O GLY A 65 -2.712 -0.912 17.601 1.00 0.00 O ATOM 0 H GLY A 65 -1.004 -4.290 17.829 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.438 -3.261 19.564 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.385 -1.862 19.491 1.00 0.00 H new ATOM 965 N PHE A 66 -3.201 -3.018 16.942 1.00 0.00 N ATOM 966 CA PHE A 66 -4.120 -2.661 15.868 1.00 0.00 C ATOM 967 C PHE A 66 -5.262 -3.673 15.836 1.00 0.00 C ATOM 968 O PHE A 66 -5.084 -4.821 16.242 1.00 0.00 O ATOM 969 CB PHE A 66 -3.380 -2.615 14.526 1.00 0.00 C ATOM 970 CG PHE A 66 -2.185 -1.685 14.518 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.390 -0.299 14.403 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.899 -2.182 14.807 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.319 0.591 14.592 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.173 -1.291 14.993 1.00 0.00 C ATOM 975 CZ PHE A 66 -0.037 0.095 14.889 1.00 0.00 C ATOM 0 H PHE A 66 -3.049 -4.023 17.025 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.532 -1.668 16.048 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.047 -3.621 14.271 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.077 -2.303 13.748 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.373 0.083 14.169 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.736 -3.247 14.886 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.480 1.656 14.509 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.159 -1.672 15.216 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.786 0.779 15.037 1.00 0.00 H new ATOM 985 N ASP A 67 -6.438 -3.248 15.361 1.00 0.00 N ATOM 986 CA ASP A 67 -7.633 -4.081 15.335 1.00 0.00 C ATOM 987 C ASP A 67 -7.516 -5.093 14.196 1.00 0.00 C ATOM 988 O ASP A 67 -7.904 -4.802 13.065 1.00 0.00 O ATOM 989 CB ASP A 67 -8.875 -3.198 15.185 1.00 0.00 C ATOM 990 CG ASP A 67 -9.015 -2.210 16.340 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.510 -2.644 17.402 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.620 -1.040 16.140 1.00 0.00 O ATOM 0 H ASP A 67 -6.582 -2.312 14.983 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.730 -4.632 16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.820 -2.651 14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.764 -3.827 15.136 1.00 0.00 H new ATOM 997 N ALA A 68 -6.972 -6.275 14.510 1.00 0.00 N ATOM 998 CA ALA A 68 -6.633 -7.308 13.546 1.00 0.00 C ATOM 999 C ALA A 68 -7.730 -8.373 13.515 1.00 0.00 C ATOM 1000 O ALA A 68 -8.036 -8.970 14.545 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.287 -7.926 13.930 1.00 0.00 C ATOM 0 H ALA A 68 -6.753 -6.538 15.471 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.554 -6.874 12.549 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.025 -8.703 13.211 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.518 -7.154 13.926 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.358 -8.363 14.926 1.00 0.00 H new ATOM 1007 N THR A 69 -8.323 -8.608 12.337 1.00 0.00 N ATOM 1008 CA THR A 69 -9.368 -9.606 12.120 1.00 0.00 C ATOM 1009 C THR A 69 -9.239 -10.133 10.692 1.00 0.00 C ATOM 1010 O THR A 69 -9.104 -9.343 9.763 1.00 0.00 O ATOM 1011 CB THR A 69 -10.749 -8.973 12.361 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.874 -8.584 13.714 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.890 -9.948 12.045 1.00 0.00 C ATOM 0 H THR A 69 -8.080 -8.094 11.490 1.00 0.00 H new ATOM 0 HA THR A 69 -9.259 -10.436 12.818 1.00 0.00 H new ATOM 0 HB THR A 69 -10.822 -8.111 11.697 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.755 -8.180 13.858 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.847 -9.460 12.229 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.832 -10.250 10.999 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.803 -10.828 12.682 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.273 -11.459 10.509 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.057 -12.092 9.210 1.00 0.00 C ATOM 1023 C LEU A 70 -10.106 -11.644 8.186 1.00 0.00 C ATOM 1024 O LEU A 70 -11.277 -11.485 8.526 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.085 -13.624 9.337 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.142 -14.202 10.405 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.195 -15.732 10.362 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.693 -13.745 10.214 1.00 0.00 C ATOM 0 H LEU A 70 -9.452 -12.122 11.263 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.074 -11.779 8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.104 -13.937 9.565 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.827 -14.059 8.371 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.482 -13.832 11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.526 -16.141 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.214 -16.066 10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.883 -16.079 9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.068 -14.181 10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.335 -14.071 9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.643 -12.658 10.275 1.00 0.00 H new