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= 0.806 USER MOD Set 1.2: A 56 THR OG1 : rot 80:sc= 0.854 USER MOD Set 2.1: A 37 SER OG : rot 160:sc= 0.158 USER MOD Set 2.2: A 40 ASN : amide:sc= 0 X(o=0.16,f=-0.29) USER MOD Set 3.1: A 16 SER OG : rot -36:sc= 0.11 USER MOD Set 3.2: A 17 CYS SG : rot 180:sc= 0.00254 USER MOD Single : A 3 GLN : amide:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 12 MET CE :methyl -179:sc= -0.0674 (180deg=-0.0764) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 74:sc= 0.837 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0216) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.065) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0681) USER MOD Single : A 33 SER OG : rot -78:sc= 1.59 USER MOD Single : A 41 SER OG : rot 12:sc= 0.699 USER MOD Single : A 42 ASN : amide:sc= -0.383 K(o=-0.38,f=-2.5!) 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= 0.0377 USER MOD Single : A 64 MET CE :methyl 165:sc=-0.00573 (180deg=-0.326) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.910 -18.924 0.810 1.00 0.00 N ATOM 37 CA GLN A 3 0.476 -18.683 0.832 1.00 0.00 C ATOM 38 C GLN A 3 0.237 -17.243 1.256 1.00 0.00 C ATOM 39 O GLN A 3 0.923 -16.765 2.154 1.00 0.00 O ATOM 40 CB GLN A 3 -0.193 -19.644 1.825 1.00 0.00 C ATOM 41 CG GLN A 3 0.199 -21.112 1.601 1.00 0.00 C ATOM 42 CD GLN A 3 0.161 -21.535 0.135 1.00 0.00 C ATOM 43 OE1 GLN A 3 1.199 -21.836 -0.451 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.032 -21.557 -0.461 1.00 0.00 N ATOM 0 HA GLN A 3 0.049 -18.852 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.077 -19.353 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.275 -19.547 1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.203 -21.275 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.474 -21.751 2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.869 -21.300 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.108 -21.831 -1.440 1.00 0.00 H new ATOM 53 N GLU A 4 -0.724 -16.557 0.628 1.00 0.00 N ATOM 54 CA GLU A 4 -1.099 -15.201 1.003 1.00 0.00 C ATOM 55 C GLU A 4 -2.378 -15.218 1.837 1.00 0.00 C ATOM 56 O GLU A 4 -3.284 -16.005 1.568 1.00 0.00 O ATOM 57 CB GLU A 4 -1.255 -14.310 -0.234 1.00 0.00 C ATOM 58 CG GLU A 4 0.100 -14.072 -0.910 1.00 0.00 C ATOM 59 CD GLU A 4 0.003 -12.973 -1.963 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.399 -13.308 -3.098 1.00 0.00 O ATOM 61 OE2 GLU A 4 0.330 -11.818 -1.612 1.00 0.00 O ATOM 0 H GLU A 4 -1.260 -16.932 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.300 -14.778 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.941 -14.778 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.695 -13.355 0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.841 -13.796 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.445 -14.996 -1.375 1.00 0.00 H new ATOM 68 N THR A 5 -2.440 -14.336 2.842 1.00 0.00 N ATOM 69 CA THR A 5 -3.617 -14.110 3.666 1.00 0.00 C ATOM 70 C THR A 5 -3.819 -12.609 3.848 1.00 0.00 C ATOM 71 O THR A 5 -2.854 -11.878 4.075 1.00 0.00 O ATOM 72 CB THR A 5 -3.493 -14.836 5.015 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.674 -14.625 5.753 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.299 -14.375 5.862 1.00 0.00 C ATOM 0 H THR A 5 -1.649 -13.749 3.105 1.00 0.00 H new ATOM 0 HA THR A 5 -4.494 -14.523 3.168 1.00 0.00 H new ATOM 0 HB THR A 5 -3.332 -15.890 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.925 -15.453 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.280 -14.933 6.798 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.374 -14.553 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.394 -13.311 6.077 1.00 0.00 H new ATOM 82 N VAL A 6 -5.076 -12.162 3.752 1.00 0.00 N ATOM 83 CA VAL A 6 -5.474 -10.788 4.010 1.00 0.00 C ATOM 84 C VAL A 6 -6.059 -10.736 5.419 1.00 0.00 C ATOM 85 O VAL A 6 -6.925 -11.539 5.762 1.00 0.00 O ATOM 86 CB VAL A 6 -6.480 -10.300 2.954 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.788 -8.810 3.157 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.930 -10.494 1.534 1.00 0.00 C ATOM 0 H VAL A 6 -5.856 -12.764 3.487 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.615 -10.120 3.944 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.389 -10.890 3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.501 -8.480 2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.213 -8.658 4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.868 -8.232 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.663 -10.140 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.005 -9.928 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.731 -11.552 1.362 1.00 0.00 H new ATOM 98 N ILE A 7 -5.576 -9.790 6.229 1.00 0.00 N ATOM 99 CA ILE A 7 -6.046 -9.535 7.581 1.00 0.00 C ATOM 100 C ILE A 7 -6.404 -8.051 7.622 1.00 0.00 C ATOM 101 O ILE A 7 -5.546 -7.221 7.340 1.00 0.00 O ATOM 102 CB ILE A 7 -4.941 -9.900 8.593 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.542 -11.382 8.434 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.400 -9.619 10.033 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.424 -11.813 9.387 1.00 0.00 C ATOM 0 H ILE A 7 -4.822 -9.163 5.946 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.914 -10.138 7.847 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.070 -9.277 8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.418 -12.007 8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.222 -11.557 7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.603 -9.885 10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.636 -8.560 10.140 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.287 -10.213 10.255 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.192 -12.865 9.223 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.534 -11.212 9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.749 -11.669 10.418 1.00 0.00 H new ATOM 117 N ASN A 8 -7.653 -7.710 7.954 1.00 0.00 N ATOM 118 CA ASN A 8 -8.098 -6.325 8.055 1.00 0.00 C ATOM 119 C ASN A 8 -7.583 -5.739 9.367 1.00 0.00 C ATOM 120 O ASN A 8 -7.843 -6.301 10.431 1.00 0.00 O ATOM 121 CB ASN A 8 -9.628 -6.240 7.976 1.00 0.00 C ATOM 122 CG ASN A 8 -10.187 -6.743 6.644 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.497 -6.753 5.626 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.447 -7.182 6.653 1.00 0.00 N ATOM 0 H ASN A 8 -8.383 -8.392 8.160 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.698 -5.749 7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.061 -6.823 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.937 -5.206 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.868 -7.541 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.989 -7.158 7.517 1.00 0.00 H new ATOM 131 N ILE A 9 -6.848 -4.623 9.281 1.00 0.00 N ATOM 132 CA ILE A 9 -6.181 -3.975 10.400 1.00 0.00 C ATOM 133 C ILE A 9 -6.787 -2.585 10.565 1.00 0.00 C ATOM 134 O ILE A 9 -6.543 -1.703 9.742 1.00 0.00 O ATOM 135 CB ILE A 9 -4.659 -3.881 10.168 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.044 -5.228 9.756 1.00 0.00 C ATOM 137 CG2 ILE A 9 -4.001 -3.366 11.457 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.560 -5.111 9.392 1.00 0.00 C ATOM 0 H ILE A 9 -6.701 -4.136 8.397 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.327 -4.563 11.306 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.478 -3.192 9.343 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.159 -5.941 10.573 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.593 -5.628 8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.923 -3.293 11.311 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.401 -2.382 11.702 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.211 -4.057 12.274 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.176 -6.091 9.109 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.444 -4.421 8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.003 -4.738 10.251 1.00 0.00 H new ATOM 150 N ASP A 10 -7.560 -2.389 11.636 1.00 0.00 N ATOM 151 CA ASP A 10 -8.114 -1.094 12.001 1.00 0.00 C ATOM 152 C ASP A 10 -7.256 -0.483 13.110 1.00 0.00 C ATOM 153 O ASP A 10 -6.653 -1.204 13.905 1.00 0.00 O ATOM 154 CB ASP A 10 -9.579 -1.257 12.420 1.00 0.00 C ATOM 155 CG ASP A 10 -10.423 -1.812 11.275 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.834 -0.993 10.424 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.638 -3.044 11.268 1.00 0.00 O ATOM 0 H ASP A 10 -7.819 -3.138 12.278 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.098 -0.414 11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.642 -1.925 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.979 -0.293 12.736 1.00 0.00 H new ATOM 162 N GLY A 11 -7.190 0.852 13.145 1.00 0.00 N ATOM 163 CA GLY A 11 -6.387 1.605 14.100 1.00 0.00 C ATOM 164 C GLY A 11 -5.051 2.083 13.522 1.00 0.00 C ATOM 165 O GLY A 11 -4.277 2.710 14.243 1.00 0.00 O ATOM 0 H GLY A 11 -7.705 1.446 12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.957 2.469 14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.195 0.983 14.974 1.00 0.00 H new ATOM 169 N MET A 12 -4.770 1.812 12.238 1.00 0.00 N ATOM 170 CA MET A 12 -3.589 2.339 11.566 1.00 0.00 C ATOM 171 C MET A 12 -3.826 3.820 11.268 1.00 0.00 C ATOM 172 O MET A 12 -4.586 4.150 10.358 1.00 0.00 O ATOM 173 CB MET A 12 -3.295 1.561 10.275 1.00 0.00 C ATOM 174 CG MET A 12 -3.072 0.070 10.542 1.00 0.00 C ATOM 175 SD MET A 12 -2.323 -0.856 9.172 1.00 0.00 S ATOM 176 CE MET A 12 -3.562 -0.615 7.878 1.00 0.00 C ATOM 0 H MET A 12 -5.356 1.224 11.646 1.00 0.00 H new ATOM 0 HA MET A 12 -2.718 2.226 12.212 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.126 1.685 9.580 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.411 1.979 9.793 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.436 -0.034 11.421 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.031 -0.387 10.787 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.252 -1.142 6.975 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.522 -1.007 8.216 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.660 0.449 7.662 1.00 0.00 H new ATOM 225 N SER A 16 2.836 5.437 8.781 1.00 0.00 N ATOM 226 CA SER A 16 3.800 5.388 9.869 1.00 0.00 C ATOM 227 C SER A 16 3.530 4.103 10.648 1.00 0.00 C ATOM 228 O SER A 16 4.417 3.271 10.812 1.00 0.00 O ATOM 229 CB SER A 16 3.688 6.635 10.759 1.00 0.00 C ATOM 230 OG SER A 16 2.364 6.845 11.209 1.00 0.00 O ATOM 0 HA SER A 16 4.821 5.384 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.351 6.529 11.618 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.025 7.510 10.203 1.00 0.00 H new ATOM 0 HG SER A 16 1.734 6.591 10.502 1.00 0.00 H new ATOM 236 N CYS A 17 2.278 3.941 11.095 1.00 0.00 N ATOM 237 CA CYS A 17 1.760 2.709 11.668 1.00 0.00 C ATOM 238 C CYS A 17 1.897 1.593 10.636 1.00 0.00 C ATOM 239 O CYS A 17 2.420 0.526 10.942 1.00 0.00 O ATOM 240 CB CYS A 17 0.288 2.898 12.051 1.00 0.00 C ATOM 241 SG CYS A 17 0.137 4.176 13.325 1.00 0.00 S ATOM 0 H CYS A 17 1.585 4.689 11.064 1.00 0.00 H new ATOM 0 HA CYS A 17 2.322 2.447 12.564 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.292 3.179 11.172 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.124 1.958 12.417 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.115 4.329 13.640 1.00 0.00 H new ATOM 247 N VAL A 18 1.444 1.873 9.409 1.00 0.00 N ATOM 248 CA VAL A 18 1.560 1.006 8.246 1.00 0.00 C ATOM 249 C VAL A 18 3.003 0.521 8.086 1.00 0.00 C ATOM 250 O VAL A 18 3.240 -0.681 7.978 1.00 0.00 O ATOM 251 CB VAL A 18 1.088 1.792 7.009 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.378 1.071 5.688 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.419 2.057 7.102 1.00 0.00 C ATOM 0 H VAL A 18 0.967 2.749 9.197 1.00 0.00 H new ATOM 0 HA VAL A 18 0.936 0.121 8.368 1.00 0.00 H new ATOM 0 HB VAL A 18 1.651 2.725 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.021 1.678 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.452 0.914 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.868 0.108 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.745 2.613 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.953 1.108 7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.632 2.638 7.999 1.00 0.00 H new ATOM 263 N GLN A 19 3.957 1.459 8.078 1.00 0.00 N ATOM 264 CA GLN A 19 5.371 1.170 7.894 1.00 0.00 C ATOM 265 C GLN A 19 5.903 0.289 9.027 1.00 0.00 C ATOM 266 O GLN A 19 6.610 -0.682 8.764 1.00 0.00 O ATOM 267 CB GLN A 19 6.172 2.475 7.801 1.00 0.00 C ATOM 268 CG GLN A 19 5.718 3.345 6.623 1.00 0.00 C ATOM 269 CD GLN A 19 6.594 4.586 6.490 1.00 0.00 C ATOM 270 OE1 GLN A 19 6.187 5.680 6.870 1.00 0.00 O ATOM 271 NE2 GLN A 19 7.803 4.421 5.948 1.00 0.00 N ATOM 0 H GLN A 19 3.759 2.452 8.201 1.00 0.00 H new ATOM 0 HA GLN A 19 5.489 0.621 6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.061 3.035 8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.232 2.243 7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.760 2.765 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.679 3.643 6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.104 3.495 5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.426 5.221 5.837 1.00 0.00 H new ATOM 280 N SER A 20 5.563 0.626 10.278 1.00 0.00 N ATOM 281 CA SER A 20 5.991 -0.113 11.458 1.00 0.00 C ATOM 282 C SER A 20 5.528 -1.568 11.384 1.00 0.00 C ATOM 283 O SER A 20 6.341 -2.479 11.513 1.00 0.00 O ATOM 284 CB SER A 20 5.467 0.568 12.728 1.00 0.00 C ATOM 285 OG SER A 20 5.938 1.896 12.809 1.00 0.00 O ATOM 0 H SER A 20 4.975 1.431 10.495 1.00 0.00 H new ATOM 0 HA SER A 20 7.080 -0.113 11.493 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.377 0.562 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.788 0.008 13.606 1.00 0.00 H new ATOM 0 HG SER A 20 5.458 2.453 12.162 1.00 0.00 H new ATOM 291 N ILE A 21 4.223 -1.778 11.166 1.00 0.00 N ATOM 292 CA ILE A 21 3.619 -3.098 11.037 1.00 0.00 C ATOM 293 C ILE A 21 4.326 -3.873 9.928 1.00 0.00 C ATOM 294 O ILE A 21 4.807 -4.976 10.166 1.00 0.00 O ATOM 295 CB ILE A 21 2.107 -2.971 10.768 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.390 -2.327 11.967 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.485 -4.349 10.490 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.051 -1.719 11.542 1.00 0.00 C ATOM 0 H ILE A 21 3.550 -1.017 11.074 1.00 0.00 H new ATOM 0 HA ILE A 21 3.738 -3.650 11.970 1.00 0.00 H new ATOM 0 HB ILE A 21 1.982 -2.336 9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.224 -3.076 12.741 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.023 -1.554 12.402 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.417 -4.235 10.303 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.961 -4.794 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.635 -4.997 11.354 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.436 -1.270 12.408 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.223 -0.954 10.785 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.589 -2.500 11.130 1.00 0.00 H new ATOM 310 N GLU A 22 4.389 -3.292 8.724 1.00 0.00 N ATOM 311 CA GLU A 22 4.985 -3.919 7.555 1.00 0.00 C ATOM 312 C GLU A 22 6.404 -4.405 7.861 1.00 0.00 C ATOM 313 O GLU A 22 6.704 -5.582 7.671 1.00 0.00 O ATOM 314 CB GLU A 22 4.937 -2.935 6.378 1.00 0.00 C ATOM 315 CG GLU A 22 5.284 -3.611 5.049 1.00 0.00 C ATOM 316 CD GLU A 22 5.025 -2.671 3.877 1.00 0.00 C ATOM 317 OE1 GLU A 22 5.968 -1.933 3.516 1.00 0.00 O ATOM 318 OE2 GLU A 22 3.883 -2.703 3.365 1.00 0.00 O ATOM 0 H GLU A 22 4.020 -2.359 8.540 1.00 0.00 H new ATOM 0 HA GLU A 22 4.415 -4.805 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.941 -2.497 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.634 -2.117 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.331 -3.914 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.690 -4.518 4.931 1.00 0.00 H new ATOM 325 N GLY A 23 7.261 -3.501 8.351 1.00 0.00 N ATOM 326 CA GLY A 23 8.650 -3.783 8.677 1.00 0.00 C ATOM 327 C GLY A 23 8.794 -4.910 9.699 1.00 0.00 C ATOM 328 O GLY A 23 9.521 -5.870 9.452 1.00 0.00 O ATOM 0 H GLY A 23 6.995 -2.533 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.186 -4.052 7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.119 -2.880 9.068 1.00 0.00 H new ATOM 332 N VAL A 24 8.114 -4.792 10.847 1.00 0.00 N ATOM 333 CA VAL A 24 8.224 -5.754 11.938 1.00 0.00 C ATOM 334 C VAL A 24 7.715 -7.130 11.503 1.00 0.00 C ATOM 335 O VAL A 24 8.442 -8.115 11.624 1.00 0.00 O ATOM 336 CB VAL A 24 7.485 -5.224 13.181 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.391 -6.286 14.285 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.218 -4.002 13.752 1.00 0.00 C ATOM 0 H VAL A 24 7.472 -4.023 11.040 1.00 0.00 H new ATOM 0 HA VAL A 24 9.274 -5.877 12.204 1.00 0.00 H new ATOM 0 HB VAL A 24 6.478 -4.954 12.862 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.863 -5.872 15.144 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.849 -7.154 13.910 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.394 -6.587 14.587 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.686 -3.636 14.630 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.232 -4.285 14.034 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.257 -3.216 12.998 1.00 0.00 H new ATOM 348 N ILE A 25 6.475 -7.199 11.003 1.00 0.00 N ATOM 349 CA ILE A 25 5.838 -8.454 10.620 1.00 0.00 C ATOM 350 C ILE A 25 6.646 -9.168 9.529 1.00 0.00 C ATOM 351 O ILE A 25 6.754 -10.391 9.576 1.00 0.00 O ATOM 352 CB ILE A 25 4.365 -8.225 10.233 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.526 -7.632 11.386 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.711 -9.522 9.732 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.315 -8.560 12.588 1.00 0.00 C ATOM 0 H ILE A 25 5.887 -6.379 10.854 1.00 0.00 H new ATOM 0 HA ILE A 25 5.829 -9.123 11.481 1.00 0.00 H new ATOM 0 HB ILE A 25 4.380 -7.493 9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.010 -6.719 11.733 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.550 -7.346 10.993 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.672 -9.327 9.467 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.247 -9.885 8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.749 -10.276 10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.714 -8.049 13.341 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.799 -9.464 12.264 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.281 -8.827 13.015 1.00 0.00 H new ATOM 367 N SER A 26 7.238 -8.427 8.577 1.00 0.00 N ATOM 368 CA SER A 26 8.107 -8.992 7.545 1.00 0.00 C ATOM 369 C SER A 26 9.194 -9.905 8.126 1.00 0.00 C ATOM 370 O SER A 26 9.566 -10.890 7.490 1.00 0.00 O ATOM 371 CB SER A 26 8.764 -7.878 6.719 1.00 0.00 C ATOM 372 OG SER A 26 9.409 -8.426 5.588 1.00 0.00 O ATOM 0 H SER A 26 7.123 -7.416 8.506 1.00 0.00 H new ATOM 0 HA SER A 26 7.469 -9.600 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.010 -7.157 6.403 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.485 -7.338 7.332 1.00 0.00 H new ATOM 0 HG SER A 26 9.823 -7.707 5.067 1.00 0.00 H new ATOM 378 N LYS A 27 9.707 -9.573 9.318 1.00 0.00 N ATOM 379 CA LYS A 27 10.826 -10.261 9.946 1.00 0.00 C ATOM 380 C LYS A 27 10.374 -11.432 10.828 1.00 0.00 C ATOM 381 O LYS A 27 11.221 -12.212 11.261 1.00 0.00 O ATOM 382 CB LYS A 27 11.639 -9.256 10.774 1.00 0.00 C ATOM 383 CG LYS A 27 12.205 -8.127 9.901 1.00 0.00 C ATOM 384 CD LYS A 27 12.958 -7.110 10.768 1.00 0.00 C ATOM 385 CE LYS A 27 13.378 -5.880 9.958 1.00 0.00 C ATOM 386 NZ LYS A 27 14.304 -6.226 8.867 1.00 0.00 N ATOM 0 H LYS A 27 9.343 -8.802 9.878 1.00 0.00 H new ATOM 0 HA LYS A 27 11.445 -10.683 9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.007 -8.831 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.457 -9.774 11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.876 -8.541 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.395 -7.630 9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.325 -6.800 11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.841 -7.582 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.492 -5.400 9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.852 -5.155 10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.629 -5.356 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.123 -6.736 9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.816 -6.830 8.176 1.00 0.00 H new ATOM 400 N LYS A 28 9.070 -11.571 11.106 1.00 0.00 N ATOM 401 CA LYS A 28 8.569 -12.642 11.961 1.00 0.00 C ATOM 402 C LYS A 28 8.703 -13.994 11.245 1.00 0.00 C ATOM 403 O LYS A 28 8.563 -14.038 10.022 1.00 0.00 O ATOM 404 CB LYS A 28 7.108 -12.376 12.357 1.00 0.00 C ATOM 405 CG LYS A 28 6.928 -11.116 13.215 1.00 0.00 C ATOM 406 CD LYS A 28 7.403 -11.310 14.664 1.00 0.00 C ATOM 407 CE LYS A 28 7.317 -10.007 15.469 1.00 0.00 C ATOM 408 NZ LYS A 28 5.932 -9.522 15.602 1.00 0.00 N ATOM 0 H LYS A 28 8.345 -10.950 10.747 1.00 0.00 H new ATOM 0 HA LYS A 28 9.166 -12.673 12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.506 -12.280 11.453 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.725 -13.237 12.905 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.481 -10.292 12.763 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.876 -10.831 13.217 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.796 -12.076 15.146 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.432 -11.671 14.665 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.740 -10.167 16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.922 -9.242 14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.893 -8.776 16.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.610 -9.138 14.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.314 -10.310 15.883 1.00 0.00 H new ATOM 422 N PRO A 29 8.968 -15.094 11.977 1.00 0.00 N ATOM 423 CA PRO A 29 9.073 -16.437 11.422 1.00 0.00 C ATOM 424 C PRO A 29 7.937 -16.778 10.458 1.00 0.00 C ATOM 425 O PRO A 29 6.774 -16.488 10.738 1.00 0.00 O ATOM 426 CB PRO A 29 9.066 -17.383 12.625 1.00 0.00 C ATOM 427 CG PRO A 29 9.725 -16.542 13.713 1.00 0.00 C ATOM 428 CD PRO A 29 9.219 -15.131 13.411 1.00 0.00 C ATOM 0 HA PRO A 29 9.982 -16.526 10.827 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.054 -17.681 12.900 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.625 -18.297 12.425 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.432 -16.871 14.710 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.812 -16.600 13.665 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.310 -14.914 13.972 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.957 -14.382 13.698 1.00 0.00 H new ATOM 436 N GLY A 30 8.282 -17.387 9.320 1.00 0.00 N ATOM 437 CA GLY A 30 7.318 -17.821 8.323 1.00 0.00 C ATOM 438 C GLY A 30 7.008 -16.741 7.293 1.00 0.00 C ATOM 439 O GLY A 30 6.824 -17.072 6.123 1.00 0.00 O ATOM 0 H GLY A 30 9.249 -17.591 9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.702 -18.704 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.395 -18.117 8.821 1.00 0.00 H new ATOM 443 N VAL A 31 6.940 -15.467 7.708 1.00 0.00 N ATOM 444 CA VAL A 31 6.599 -14.365 6.817 1.00 0.00 C ATOM 445 C VAL A 31 7.705 -14.161 5.782 1.00 0.00 C ATOM 446 O VAL A 31 8.887 -14.279 6.100 1.00 0.00 O ATOM 447 CB VAL A 31 6.327 -13.074 7.606 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.915 -11.940 6.657 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.194 -13.298 8.614 1.00 0.00 C ATOM 0 H VAL A 31 7.121 -15.180 8.670 1.00 0.00 H new ATOM 0 HA VAL A 31 5.680 -14.621 6.290 1.00 0.00 H new ATOM 0 HB VAL A 31 7.244 -12.801 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.726 -11.034 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.716 -11.755 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.009 -12.225 6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.011 -12.376 9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.287 -13.589 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.477 -14.088 9.310 1.00 0.00 H new ATOM 459 N LYS A 32 7.297 -13.856 4.545 1.00 0.00 N ATOM 460 CA LYS A 32 8.178 -13.588 3.422 1.00 0.00 C ATOM 461 C LYS A 32 7.954 -12.141 2.980 1.00 0.00 C ATOM 462 O LYS A 32 8.500 -11.231 3.602 1.00 0.00 O ATOM 463 CB LYS A 32 7.928 -14.632 2.323 1.00 0.00 C ATOM 464 CG LYS A 32 8.275 -16.035 2.839 1.00 0.00 C ATOM 465 CD LYS A 32 8.092 -17.086 1.740 1.00 0.00 C ATOM 466 CE LYS A 32 8.252 -18.502 2.304 1.00 0.00 C ATOM 467 NZ LYS A 32 9.588 -18.726 2.879 1.00 0.00 N ATOM 0 H LYS A 32 6.310 -13.789 4.299 1.00 0.00 H new ATOM 0 HA LYS A 32 9.231 -13.682 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.884 -14.599 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.531 -14.399 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.305 -16.051 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.640 -16.280 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.105 -16.979 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.823 -16.921 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.496 -18.673 3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.073 -19.229 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.690 -19.728 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.314 -18.475 2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.705 -18.134 3.726 1.00 0.00 H new ATOM 481 N SER A 33 7.151 -11.918 1.932 1.00 0.00 N ATOM 482 CA SER A 33 6.768 -10.588 1.481 1.00 0.00 C ATOM 483 C SER A 33 5.482 -10.151 2.188 1.00 0.00 C ATOM 484 O SER A 33 4.702 -10.989 2.634 1.00 0.00 O ATOM 485 CB SER A 33 6.618 -10.584 -0.044 1.00 0.00 C ATOM 486 OG SER A 33 5.634 -11.506 -0.465 1.00 0.00 O ATOM 0 H SER A 33 6.748 -12.669 1.372 1.00 0.00 H new ATOM 0 HA SER A 33 7.545 -9.868 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.350 -9.583 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.573 -10.832 -0.506 1.00 0.00 H new ATOM 0 HG SER A 33 6.006 -12.413 -0.446 1.00 0.00 H new ATOM 492 N ILE A 34 5.269 -8.836 2.305 1.00 0.00 N ATOM 493 CA ILE A 34 4.097 -8.266 2.954 1.00 0.00 C ATOM 494 C ILE A 34 3.768 -6.905 2.333 1.00 0.00 C ATOM 495 O ILE A 34 4.673 -6.125 2.045 1.00 0.00 O ATOM 496 CB ILE A 34 4.298 -8.208 4.481 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.112 -7.487 5.141 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.638 -7.564 4.870 1.00 0.00 C ATOM 499 CD1 ILE A 34 3.094 -7.624 6.665 1.00 0.00 C ATOM 0 H ILE A 34 5.917 -8.135 1.946 1.00 0.00 H new ATOM 0 HA ILE A 34 3.232 -8.908 2.786 1.00 0.00 H new ATOM 0 HB ILE A 34 4.334 -9.232 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.146 -6.430 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.182 -7.886 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.732 -7.547 5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.457 -8.143 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.677 -6.545 4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.232 -7.092 7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.029 -8.678 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.008 -7.199 7.079 1.00 0.00 H new ATOM 511 N ARG A 35 2.470 -6.631 2.138 1.00 0.00 N ATOM 512 CA ARG A 35 1.951 -5.356 1.661 1.00 0.00 C ATOM 513 C ARG A 35 0.885 -4.870 2.645 1.00 0.00 C ATOM 514 O ARG A 35 -0.197 -5.452 2.698 1.00 0.00 O ATOM 515 CB ARG A 35 1.327 -5.513 0.266 1.00 0.00 C ATOM 516 CG ARG A 35 2.286 -6.058 -0.805 1.00 0.00 C ATOM 517 CD ARG A 35 1.759 -7.372 -1.395 1.00 0.00 C ATOM 518 NE ARG A 35 1.761 -8.453 -0.395 1.00 0.00 N ATOM 519 CZ ARG A 35 2.637 -9.467 -0.323 1.00 0.00 C ATOM 520 NH1 ARG A 35 3.656 -9.583 -1.185 1.00 0.00 N ATOM 521 NH2 ARG A 35 2.489 -10.386 0.638 1.00 0.00 N ATOM 0 H ARG A 35 1.736 -7.316 2.315 1.00 0.00 H new ATOM 0 HA ARG A 35 2.766 -4.636 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.468 -6.180 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.951 -4.544 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.407 -5.321 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.271 -6.220 -0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.746 -7.223 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.374 -7.662 -2.247 1.00 0.00 H new ATOM 0 HE ARG A 35 1.025 -8.429 0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.782 -8.889 -1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.306 -10.365 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.719 -10.310 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.146 -11.163 0.706 1.00 0.00 H new ATOM 535 N VAL A 36 1.176 -3.811 3.411 1.00 0.00 N ATOM 536 CA VAL A 36 0.207 -3.170 4.297 1.00 0.00 C ATOM 537 C VAL A 36 -0.317 -1.910 3.607 1.00 0.00 C ATOM 538 O VAL A 36 0.474 -1.067 3.185 1.00 0.00 O ATOM 539 CB VAL A 36 0.830 -2.870 5.671 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.239 -2.354 6.646 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.455 -4.127 6.286 1.00 0.00 C ATOM 0 H VAL A 36 2.098 -3.375 3.431 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.631 -3.840 4.487 1.00 0.00 H new ATOM 0 HB VAL A 36 1.600 -2.115 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.220 -2.147 7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.681 -1.439 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.016 -3.109 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.887 -3.881 7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.687 -4.890 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.236 -4.505 5.627 1.00 0.00 H new ATOM 551 N SER A 37 -1.646 -1.796 3.484 1.00 0.00 N ATOM 552 CA SER A 37 -2.328 -0.713 2.788 1.00 0.00 C ATOM 553 C SER A 37 -3.165 0.102 3.774 1.00 0.00 C ATOM 554 O SER A 37 -3.979 -0.460 4.505 1.00 0.00 O ATOM 555 CB SER A 37 -3.218 -1.301 1.689 1.00 0.00 C ATOM 556 OG SER A 37 -4.013 -0.293 1.093 1.00 0.00 O ATOM 0 H SER A 37 -2.290 -2.480 3.881 1.00 0.00 H new ATOM 0 HA SER A 37 -1.591 -0.050 2.336 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.599 -1.778 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.860 -2.075 2.110 1.00 0.00 H new ATOM 0 HG SER A 37 -4.322 -0.597 0.214 1.00 0.00 H new ATOM 562 N LEU A 38 -2.970 1.427 3.765 1.00 0.00 N ATOM 563 CA LEU A 38 -3.767 2.375 4.532 1.00 0.00 C ATOM 564 C LEU A 38 -5.170 2.471 3.932 1.00 0.00 C ATOM 565 O LEU A 38 -6.161 2.355 4.650 1.00 0.00 O ATOM 566 CB LEU A 38 -3.076 3.748 4.514 1.00 0.00 C ATOM 567 CG LEU A 38 -3.771 4.808 5.388 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.786 4.426 6.874 1.00 0.00 C ATOM 569 CD2 LEU A 38 -3.036 6.143 5.220 1.00 0.00 C ATOM 0 H LEU A 38 -2.238 1.872 3.211 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.855 2.036 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.047 3.630 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.034 4.109 3.486 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.808 4.883 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.287 5.207 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.319 3.484 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.762 4.315 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.518 6.904 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.998 6.029 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.069 6.447 4.174 1.00 0.00 H new ATOM 581 N ALA A 39 -5.237 2.684 2.609 1.00 0.00 N ATOM 582 CA ALA A 39 -6.469 2.860 1.852 1.00 0.00 C ATOM 583 C ALA A 39 -7.447 1.708 2.082 1.00 0.00 C ATOM 584 O ALA A 39 -8.637 1.941 2.279 1.00 0.00 O ATOM 585 CB ALA A 39 -6.134 2.995 0.365 1.00 0.00 C ATOM 0 H ALA A 39 -4.403 2.739 2.025 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.960 3.769 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.054 3.127 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.487 3.859 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.622 2.095 0.024 1.00 0.00 H new ATOM 591 N ASN A 40 -6.937 0.470 2.072 1.00 0.00 N ATOM 592 CA ASN A 40 -7.742 -0.726 2.290 1.00 0.00 C ATOM 593 C ASN A 40 -7.817 -1.077 3.779 1.00 0.00 C ATOM 594 O ASN A 40 -8.681 -1.859 4.169 1.00 0.00 O ATOM 595 CB ASN A 40 -7.142 -1.902 1.513 1.00 0.00 C ATOM 596 CG ASN A 40 -7.008 -1.642 0.013 1.00 0.00 C ATOM 597 OD1 ASN A 40 -7.718 -0.815 -0.555 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.083 -2.353 -0.636 1.00 0.00 N ATOM 0 H ASN A 40 -5.949 0.275 1.911 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.753 -0.527 1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.158 -2.132 1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.765 -2.783 1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.947 -2.219 -1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.513 -3.030 -0.130 1.00 0.00 H new ATOM 605 N SER A 41 -6.919 -0.512 4.603 1.00 0.00 N ATOM 606 CA SER A 41 -6.817 -0.767 6.034 1.00 0.00 C ATOM 607 C SER A 41 -6.659 -2.266 6.294 1.00 0.00 C ATOM 608 O SER A 41 -7.452 -2.867 7.016 1.00 0.00 O ATOM 609 CB SER A 41 -8.000 -0.140 6.782 1.00 0.00 C ATOM 610 OG SER A 41 -7.958 1.266 6.647 1.00 0.00 O ATOM 0 H SER A 41 -6.224 0.157 4.271 1.00 0.00 H new ATOM 0 HA SER A 41 -5.921 -0.286 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.939 -0.525 6.385 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.963 -0.415 7.836 1.00 0.00 H new ATOM 0 HG SER A 41 -7.305 1.509 5.958 1.00 0.00 H new ATOM 616 N ASN A 42 -5.629 -2.864 5.684 1.00 0.00 N ATOM 617 CA ASN A 42 -5.371 -4.293 5.779 1.00 0.00 C ATOM 618 C ASN A 42 -3.896 -4.611 5.549 1.00 0.00 C ATOM 619 O ASN A 42 -3.125 -3.754 5.120 1.00 0.00 O ATOM 620 CB ASN A 42 -6.302 -5.078 4.834 1.00 0.00 C ATOM 621 CG ASN A 42 -6.050 -4.856 3.341 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.077 -4.226 2.934 1.00 0.00 O ATOM 623 ND2 ASN A 42 -6.945 -5.388 2.507 1.00 0.00 N ATOM 0 H ASN A 42 -4.952 -2.362 5.110 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.598 -4.617 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.200 -6.142 5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.334 -4.805 5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.832 -5.277 1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.742 -5.906 2.877 1.00 0.00 H new ATOM 630 N GLY A 43 -3.531 -5.861 5.847 1.00 0.00 N ATOM 631 CA GLY A 43 -2.214 -6.434 5.657 1.00 0.00 C ATOM 632 C GLY A 43 -2.353 -7.710 4.836 1.00 0.00 C ATOM 633 O GLY A 43 -2.964 -8.672 5.299 1.00 0.00 O ATOM 0 H GLY A 43 -4.189 -6.529 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.563 -5.725 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.754 -6.652 6.621 1.00 0.00 H new ATOM 637 N THR A 44 -1.775 -7.710 3.631 1.00 0.00 N ATOM 638 CA THR A 44 -1.721 -8.853 2.734 1.00 0.00 C ATOM 639 C THR A 44 -0.339 -9.472 2.912 1.00 0.00 C ATOM 640 O THR A 44 0.641 -8.974 2.357 1.00 0.00 O ATOM 641 CB THR A 44 -1.977 -8.393 1.291 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.257 -7.796 1.219 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.917 -9.567 0.309 1.00 0.00 C ATOM 0 H THR A 44 -1.318 -6.883 3.246 1.00 0.00 H new ATOM 0 HA THR A 44 -2.488 -9.595 2.959 1.00 0.00 H new ATOM 0 HB THR A 44 -1.201 -7.679 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.428 -7.498 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.103 -9.205 -0.702 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.931 -10.029 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.675 -10.304 0.576 1.00 0.00 H new ATOM 651 N VAL A 45 -0.273 -10.540 3.714 1.00 0.00 N ATOM 652 CA VAL A 45 0.962 -11.150 4.185 1.00 0.00 C ATOM 653 C VAL A 45 1.182 -12.475 3.458 1.00 0.00 C ATOM 654 O VAL A 45 0.294 -13.325 3.479 1.00 0.00 O ATOM 655 CB VAL A 45 0.870 -11.389 5.705 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.249 -11.770 6.259 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.338 -10.162 6.459 1.00 0.00 C ATOM 0 H VAL A 45 -1.107 -11.014 4.061 1.00 0.00 H new ATOM 0 HA VAL A 45 1.802 -10.486 3.980 1.00 0.00 H new ATOM 0 HB VAL A 45 0.163 -12.204 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.176 -11.937 7.334 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.597 -12.681 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.955 -10.963 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.292 -10.382 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.003 -9.315 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.660 -9.916 6.096 1.00 0.00 H new ATOM 667 N GLU A 46 2.359 -12.659 2.842 1.00 0.00 N ATOM 668 CA GLU A 46 2.798 -13.937 2.301 1.00 0.00 C ATOM 669 C GLU A 46 3.555 -14.670 3.407 1.00 0.00 C ATOM 670 O GLU A 46 4.415 -14.073 4.051 1.00 0.00 O ATOM 671 CB GLU A 46 3.691 -13.725 1.073 1.00 0.00 C ATOM 672 CG GLU A 46 4.064 -15.059 0.414 1.00 0.00 C ATOM 673 CD GLU A 46 4.968 -14.842 -0.795 1.00 0.00 C ATOM 674 OE1 GLU A 46 6.085 -14.320 -0.584 1.00 0.00 O ATOM 675 OE2 GLU A 46 4.527 -15.200 -1.909 1.00 0.00 O ATOM 0 H GLU A 46 3.036 -11.908 2.708 1.00 0.00 H new ATOM 0 HA GLU A 46 1.942 -14.528 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.175 -13.093 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.598 -13.197 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.569 -15.697 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.158 -15.581 0.105 1.00 0.00 H new ATOM 682 N TYR A 47 3.227 -15.948 3.636 1.00 0.00 N ATOM 683 CA TYR A 47 3.747 -16.715 4.757 1.00 0.00 C ATOM 684 C TYR A 47 3.848 -18.205 4.434 1.00 0.00 C ATOM 685 O TYR A 47 3.253 -18.684 3.468 1.00 0.00 O ATOM 686 CB TYR A 47 2.863 -16.484 5.991 1.00 0.00 C ATOM 687 CG TYR A 47 1.500 -17.155 5.925 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.499 -16.632 5.085 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.264 -18.360 6.612 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.703 -17.331 4.892 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.039 -19.032 6.461 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.938 -18.528 5.585 1.00 0.00 C ATOM 693 OH TYR A 47 -2.112 -19.198 5.405 1.00 0.00 O ATOM 0 H TYR A 47 2.589 -16.475 3.040 1.00 0.00 H new ATOM 0 HA TYR A 47 4.759 -16.368 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.390 -16.847 6.873 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.720 -15.412 6.124 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.657 -15.687 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.027 -18.770 7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.447 -16.947 4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.152 -19.937 7.019 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.115 -20.008 5.957 1.00 0.00 H new ATOM 703 N ASP A 48 4.595 -18.924 5.282 1.00 0.00 N ATOM 704 CA ASP A 48 4.723 -20.373 5.270 1.00 0.00 C ATOM 705 C ASP A 48 3.819 -20.957 6.370 1.00 0.00 C ATOM 706 O ASP A 48 4.098 -20.731 7.549 1.00 0.00 O ATOM 707 CB ASP A 48 6.194 -20.749 5.500 1.00 0.00 C ATOM 708 CG ASP A 48 6.483 -22.240 5.304 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.533 -23.045 5.410 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.666 -22.552 5.051 1.00 0.00 O ATOM 0 H ASP A 48 5.145 -18.487 6.022 1.00 0.00 H new ATOM 0 HA ASP A 48 4.412 -20.782 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.819 -20.173 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.480 -20.462 6.512 1.00 0.00 H new ATOM 715 N PRO A 49 2.761 -21.710 6.014 1.00 0.00 N ATOM 716 CA PRO A 49 1.881 -22.417 6.941 1.00 0.00 C ATOM 717 C PRO A 49 2.603 -23.214 8.030 1.00 0.00 C ATOM 718 O PRO A 49 2.117 -23.294 9.156 1.00 0.00 O ATOM 719 CB PRO A 49 1.024 -23.340 6.072 1.00 0.00 C ATOM 720 CG PRO A 49 0.925 -22.566 4.763 1.00 0.00 C ATOM 721 CD PRO A 49 2.312 -21.936 4.651 1.00 0.00 C ATOM 0 HA PRO A 49 1.295 -21.688 7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.491 -24.315 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.043 -23.517 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.706 -23.220 3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.138 -21.813 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.998 -22.595 4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.272 -21.000 4.093 1.00 0.00 H new ATOM 729 N LEU A 50 3.753 -23.809 7.695 1.00 0.00 N ATOM 730 CA LEU A 50 4.525 -24.635 8.613 1.00 0.00 C ATOM 731 C LEU A 50 5.054 -23.822 9.800 1.00 0.00 C ATOM 732 O LEU A 50 5.154 -24.357 10.903 1.00 0.00 O ATOM 733 CB LEU A 50 5.687 -25.303 7.864 1.00 0.00 C ATOM 734 CG LEU A 50 5.257 -26.174 6.669 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.509 -26.681 5.948 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.402 -27.370 7.106 1.00 0.00 C ATOM 0 H LEU A 50 4.173 -23.726 6.769 1.00 0.00 H new ATOM 0 HA LEU A 50 3.862 -25.403 9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.366 -24.529 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.248 -25.921 8.565 1.00 0.00 H new ATOM 0 HG LEU A 50 4.649 -25.560 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.215 -27.299 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.093 -25.832 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.111 -27.273 6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.122 -27.956 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.974 -27.994 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.502 -27.011 7.605 1.00 0.00 H new ATOM 748 N LEU A 51 5.401 -22.546 9.577 1.00 0.00 N ATOM 749 CA LEU A 51 6.046 -21.694 10.570 1.00 0.00 C ATOM 750 C LEU A 51 5.040 -20.762 11.250 1.00 0.00 C ATOM 751 O LEU A 51 5.185 -20.493 12.442 1.00 0.00 O ATOM 752 CB LEU A 51 7.176 -20.884 9.914 1.00 0.00 C ATOM 753 CG LEU A 51 8.509 -21.649 9.812 1.00 0.00 C ATOM 754 CD1 LEU A 51 8.422 -22.884 8.910 1.00 0.00 C ATOM 755 CD2 LEU A 51 9.596 -20.712 9.270 1.00 0.00 C ATOM 0 H LEU A 51 5.236 -22.076 8.687 1.00 0.00 H new ATOM 0 HA LEU A 51 6.470 -22.336 11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.862 -20.584 8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.335 -19.970 10.486 1.00 0.00 H new ATOM 0 HG LEU A 51 8.754 -21.994 10.816 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.392 -23.380 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.675 -23.572 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.137 -22.580 7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.540 -21.253 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.307 -20.352 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.715 -19.864 9.944 1.00 0.00 H new ATOM 767 N THR A 52 4.035 -20.257 10.518 1.00 0.00 N ATOM 768 CA THR A 52 3.045 -19.328 11.058 1.00 0.00 C ATOM 769 C THR A 52 1.684 -19.540 10.389 1.00 0.00 C ATOM 770 O THR A 52 1.556 -20.369 9.491 1.00 0.00 O ATOM 771 CB THR A 52 3.568 -17.886 10.931 1.00 0.00 C ATOM 772 OG1 THR A 52 2.798 -17.005 11.720 1.00 0.00 O ATOM 773 CG2 THR A 52 3.566 -17.391 9.484 1.00 0.00 C ATOM 0 H THR A 52 3.891 -20.485 9.534 1.00 0.00 H new ATOM 0 HA THR A 52 2.891 -19.522 12.120 1.00 0.00 H new ATOM 0 HB THR A 52 4.599 -17.899 11.285 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.147 -16.094 11.628 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.944 -16.369 9.449 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.204 -18.035 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.549 -17.416 9.092 1.00 0.00 H new ATOM 781 N SER A 53 0.665 -18.798 10.838 1.00 0.00 N ATOM 782 CA SER A 53 -0.716 -18.929 10.389 1.00 0.00 C ATOM 783 C SER A 53 -1.411 -17.564 10.448 1.00 0.00 C ATOM 784 O SER A 53 -0.929 -16.682 11.157 1.00 0.00 O ATOM 785 CB SER A 53 -1.437 -19.948 11.284 1.00 0.00 C ATOM 786 OG SER A 53 -1.603 -19.432 12.590 1.00 0.00 O ATOM 0 H SER A 53 0.787 -18.071 11.543 1.00 0.00 H new ATOM 0 HA SER A 53 -0.743 -19.281 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.410 -20.192 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.865 -20.875 11.323 1.00 0.00 H new ATOM 0 HG SER A 53 -2.065 -20.093 13.147 1.00 0.00 H new ATOM 792 N PRO A 54 -2.540 -17.366 9.740 1.00 0.00 N ATOM 793 CA PRO A 54 -3.322 -16.136 9.802 1.00 0.00 C ATOM 794 C PRO A 54 -3.654 -15.712 11.236 1.00 0.00 C ATOM 795 O PRO A 54 -3.625 -14.526 11.550 1.00 0.00 O ATOM 796 CB PRO A 54 -4.593 -16.411 8.993 1.00 0.00 C ATOM 797 CG PRO A 54 -4.145 -17.478 7.997 1.00 0.00 C ATOM 798 CD PRO A 54 -3.163 -18.306 8.820 1.00 0.00 C ATOM 0 HA PRO A 54 -2.751 -15.302 9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.405 -16.767 9.627 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.952 -15.514 8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.983 -18.078 7.641 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.670 -17.040 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.676 -19.102 9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.419 -18.782 8.181 1.00 0.00 H new ATOM 806 N GLU A 55 -3.959 -16.688 12.099 1.00 0.00 N ATOM 807 CA GLU A 55 -4.292 -16.475 13.500 1.00 0.00 C ATOM 808 C GLU A 55 -3.081 -15.931 14.260 1.00 0.00 C ATOM 809 O GLU A 55 -3.218 -15.001 15.052 1.00 0.00 O ATOM 810 CB GLU A 55 -4.777 -17.787 14.141 1.00 0.00 C ATOM 811 CG GLU A 55 -6.095 -18.316 13.552 1.00 0.00 C ATOM 812 CD GLU A 55 -5.971 -18.834 12.119 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.946 -19.488 11.830 1.00 0.00 O ATOM 814 OE2 GLU A 55 -6.904 -18.561 11.332 1.00 0.00 O ATOM 0 H GLU A 55 -3.980 -17.671 11.829 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.096 -15.741 13.556 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.005 -18.547 14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.905 -17.631 15.212 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.468 -19.119 14.187 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.838 -17.519 13.576 1.00 0.00 H new ATOM 821 N THR A 56 -1.897 -16.511 14.022 1.00 0.00 N ATOM 822 CA THR A 56 -0.659 -16.079 14.656 1.00 0.00 C ATOM 823 C THR A 56 -0.305 -14.654 14.219 1.00 0.00 C ATOM 824 O THR A 56 0.052 -13.826 15.053 1.00 0.00 O ATOM 825 CB THR A 56 0.473 -17.061 14.319 1.00 0.00 C ATOM 826 OG1 THR A 56 0.090 -18.379 14.647 1.00 0.00 O ATOM 827 CG2 THR A 56 1.759 -16.725 15.080 1.00 0.00 C ATOM 0 H THR A 56 -1.778 -17.295 13.381 1.00 0.00 H new ATOM 0 HA THR A 56 -0.795 -16.072 15.737 1.00 0.00 H new ATOM 0 HB THR A 56 0.663 -16.976 13.249 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.490 -18.736 13.943 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.536 -17.442 14.815 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.087 -15.720 14.815 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.570 -16.774 16.152 1.00 0.00 H new ATOM 835 N LEU A 57 -0.408 -14.373 12.914 1.00 0.00 N ATOM 836 CA LEU A 57 -0.104 -13.072 12.334 1.00 0.00 C ATOM 837 C LEU A 57 -1.053 -12.001 12.876 1.00 0.00 C ATOM 838 O LEU A 57 -0.603 -10.933 13.284 1.00 0.00 O ATOM 839 CB LEU A 57 -0.169 -13.162 10.803 1.00 0.00 C ATOM 840 CG LEU A 57 0.892 -14.107 10.213 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.562 -14.401 8.745 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.303 -13.523 10.317 1.00 0.00 C ATOM 0 H LEU A 57 -0.711 -15.061 12.224 1.00 0.00 H new ATOM 0 HA LEU A 57 0.907 -12.780 12.618 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.160 -13.506 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.037 -12.166 10.380 1.00 0.00 H new ATOM 0 HG LEU A 57 0.873 -15.029 10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.315 -15.071 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.418 -14.873 8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.554 -13.469 8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.019 -14.224 9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.348 -12.580 9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.548 -13.349 11.365 1.00 0.00 H new ATOM 854 N ARG A 58 -2.358 -12.302 12.907 1.00 0.00 N ATOM 855 CA ARG A 58 -3.367 -11.478 13.562 1.00 0.00 C ATOM 856 C ARG A 58 -2.944 -11.189 15.005 1.00 0.00 C ATOM 857 O ARG A 58 -2.963 -10.037 15.431 1.00 0.00 O ATOM 858 CB ARG A 58 -4.720 -12.198 13.493 1.00 0.00 C ATOM 859 CG ARG A 58 -5.818 -11.465 14.274 1.00 0.00 C ATOM 860 CD ARG A 58 -7.180 -12.145 14.115 1.00 0.00 C ATOM 861 NE ARG A 58 -7.148 -13.534 14.590 1.00 0.00 N ATOM 862 CZ ARG A 58 -8.228 -14.305 14.797 1.00 0.00 C ATOM 863 NH1 ARG A 58 -9.464 -13.833 14.586 1.00 0.00 N ATOM 864 NH2 ARG A 58 -8.065 -15.565 15.223 1.00 0.00 N ATOM 0 H ARG A 58 -2.742 -13.139 12.469 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.465 -10.519 13.054 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.023 -12.295 12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.611 -13.208 13.888 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.551 -11.430 15.330 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.884 -10.434 13.927 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.933 -11.587 14.671 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.477 -12.125 13.067 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.234 -13.946 14.777 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.596 -12.874 14.263 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.273 -14.432 14.748 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.127 -15.931 15.387 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.879 -16.159 15.383 1.00 0.00 H new ATOM 878 N GLY A 59 -2.550 -12.235 15.742 1.00 0.00 N ATOM 879 CA GLY A 59 -2.050 -12.136 17.104 1.00 0.00 C ATOM 880 C GLY A 59 -0.867 -11.174 17.227 1.00 0.00 C ATOM 881 O GLY A 59 -0.832 -10.366 18.150 1.00 0.00 O ATOM 0 H GLY A 59 -2.574 -13.193 15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.855 -11.802 17.759 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.747 -13.125 17.449 1.00 0.00 H new ATOM 885 N ALA A 60 0.102 -11.256 16.305 1.00 0.00 N ATOM 886 CA ALA A 60 1.290 -10.413 16.303 1.00 0.00 C ATOM 887 C ALA A 60 0.926 -8.940 16.098 1.00 0.00 C ATOM 888 O ALA A 60 1.390 -8.079 16.841 1.00 0.00 O ATOM 889 CB ALA A 60 2.267 -10.898 15.229 1.00 0.00 C ATOM 0 H ALA A 60 0.076 -11.921 15.532 1.00 0.00 H new ATOM 0 HA ALA A 60 1.774 -10.491 17.276 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.154 -10.264 15.231 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.556 -11.928 15.438 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.788 -10.847 14.251 1.00 0.00 H new ATOM 895 N ILE A 61 0.085 -8.650 15.100 1.00 0.00 N ATOM 896 CA ILE A 61 -0.411 -7.306 14.817 1.00 0.00 C ATOM 897 C ILE A 61 -1.180 -6.766 16.032 1.00 0.00 C ATOM 898 O ILE A 61 -1.031 -5.599 16.395 1.00 0.00 O ATOM 899 CB ILE A 61 -1.277 -7.353 13.541 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.438 -7.762 12.315 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.919 -5.984 13.283 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.305 -8.312 11.177 1.00 0.00 C ATOM 0 H ILE A 61 -0.274 -9.356 14.458 1.00 0.00 H new ATOM 0 HA ILE A 61 0.416 -6.620 14.636 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.057 -8.099 13.696 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.124 -6.899 11.957 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.291 -8.516 12.611 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.527 -6.032 12.380 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.548 -5.712 14.130 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.138 -5.234 13.155 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.669 -8.587 10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.847 -9.192 11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.017 -7.549 10.861 1.00 0.00 H new ATOM 914 N GLU A 62 -1.992 -7.617 16.669 1.00 0.00 N ATOM 915 CA GLU A 62 -2.741 -7.265 17.864 1.00 0.00 C ATOM 916 C GLU A 62 -1.799 -6.952 19.030 1.00 0.00 C ATOM 917 O GLU A 62 -2.044 -6.010 19.779 1.00 0.00 O ATOM 918 CB GLU A 62 -3.729 -8.393 18.200 1.00 0.00 C ATOM 919 CG GLU A 62 -4.846 -7.926 19.141 1.00 0.00 C ATOM 920 CD GLU A 62 -5.747 -6.884 18.481 1.00 0.00 C ATOM 921 OE1 GLU A 62 -6.395 -7.246 17.474 1.00 0.00 O ATOM 922 OE2 GLU A 62 -5.771 -5.742 18.990 1.00 0.00 O ATOM 0 H GLU A 62 -2.144 -8.577 16.360 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.315 -6.357 17.678 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.169 -8.774 17.278 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.190 -9.220 18.662 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.446 -8.783 19.447 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.407 -7.506 20.046 1.00 0.00 H new ATOM 929 N ASP A 63 -0.718 -7.731 19.171 1.00 0.00 N ATOM 930 CA ASP A 63 0.302 -7.532 20.190 1.00 0.00 C ATOM 931 C ASP A 63 1.019 -6.194 19.995 1.00 0.00 C ATOM 932 O ASP A 63 1.260 -5.490 20.974 1.00 0.00 O ATOM 933 CB ASP A 63 1.284 -8.710 20.183 1.00 0.00 C ATOM 934 CG ASP A 63 2.341 -8.565 21.274 1.00 0.00 C ATOM 935 OD1 ASP A 63 2.008 -8.887 22.435 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.462 -8.134 20.928 1.00 0.00 O ATOM 0 H ASP A 63 -0.532 -8.530 18.565 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.178 -7.496 21.168 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.737 -9.642 20.327 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.771 -8.773 19.210 1.00 0.00 H new ATOM 941 N MET A 64 1.343 -5.833 18.743 1.00 0.00 N ATOM 942 CA MET A 64 1.888 -4.516 18.424 1.00 0.00 C ATOM 943 C MET A 64 0.915 -3.420 18.868 1.00 0.00 C ATOM 944 O MET A 64 1.339 -2.447 19.488 1.00 0.00 O ATOM 945 CB MET A 64 2.210 -4.390 16.929 1.00 0.00 C ATOM 946 CG MET A 64 3.410 -5.251 16.521 1.00 0.00 C ATOM 947 SD MET A 64 3.904 -5.082 14.783 1.00 0.00 S ATOM 948 CE MET A 64 4.545 -3.387 14.806 1.00 0.00 C ATOM 0 H MET A 64 1.234 -6.444 17.934 1.00 0.00 H new ATOM 0 HA MET A 64 2.824 -4.394 18.970 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.338 -4.685 16.345 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.416 -3.347 16.690 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.259 -4.991 17.153 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.174 -6.297 16.718 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.129 -3.207 13.904 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.713 -2.684 14.846 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.179 -3.250 15.682 1.00 0.00 H new ATOM 958 N GLY A 65 -0.380 -3.594 18.572 1.00 0.00 N ATOM 959 CA GLY A 65 -1.452 -2.760 19.101 1.00 0.00 C ATOM 960 C GLY A 65 -2.322 -2.186 17.989 1.00 0.00 C ATOM 961 O GLY A 65 -2.475 -0.970 17.898 1.00 0.00 O ATOM 0 H GLY A 65 -0.711 -4.331 17.949 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.070 -3.349 19.779 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.024 -1.945 19.685 1.00 0.00 H new ATOM 965 N PHE A 66 -2.898 -3.063 17.159 1.00 0.00 N ATOM 966 CA PHE A 66 -3.842 -2.690 16.114 1.00 0.00 C ATOM 967 C PHE A 66 -4.952 -3.736 16.059 1.00 0.00 C ATOM 968 O PHE A 66 -4.676 -4.927 16.179 1.00 0.00 O ATOM 969 CB PHE A 66 -3.127 -2.581 14.765 1.00 0.00 C ATOM 970 CG PHE A 66 -1.947 -1.634 14.764 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.171 -0.251 14.639 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.647 -2.117 15.010 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.101 0.649 14.762 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.423 -1.214 15.136 1.00 0.00 C ATOM 975 CZ PHE A 66 0.196 0.168 15.009 1.00 0.00 C ATOM 0 H PHE A 66 -2.715 -4.066 17.200 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.276 -1.716 16.338 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.784 -3.572 14.467 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.843 -2.252 14.012 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.168 0.119 14.448 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.473 -3.179 15.102 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.274 1.711 14.667 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.420 -1.582 15.330 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.020 0.861 15.101 1.00 0.00 H new ATOM 985 N ASP A 67 -6.200 -3.290 15.880 1.00 0.00 N ATOM 986 CA ASP A 67 -7.373 -4.150 15.882 1.00 0.00 C ATOM 987 C ASP A 67 -7.377 -5.010 14.619 1.00 0.00 C ATOM 988 O ASP A 67 -7.871 -4.587 13.575 1.00 0.00 O ATOM 989 CB ASP A 67 -8.640 -3.296 15.999 1.00 0.00 C ATOM 990 CG ASP A 67 -8.669 -2.509 17.306 1.00 0.00 C ATOM 991 OD1 ASP A 67 -9.123 -3.094 18.314 1.00 0.00 O ATOM 992 OD2 ASP A 67 -8.232 -1.338 17.275 1.00 0.00 O ATOM 0 H ASP A 67 -6.420 -2.306 15.728 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.347 -4.820 16.741 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.693 -2.606 15.157 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.519 -3.938 15.941 1.00 0.00 H new ATOM 997 N ALA A 68 -6.810 -6.216 14.729 1.00 0.00 N ATOM 998 CA ALA A 68 -6.583 -7.128 13.622 1.00 0.00 C ATOM 999 C ALA A 68 -7.680 -8.188 13.594 1.00 0.00 C ATOM 1000 O ALA A 68 -7.990 -8.788 14.621 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.203 -7.766 13.780 1.00 0.00 C ATOM 0 H ALA A 68 -6.489 -6.588 15.623 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.614 -6.587 12.676 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.023 -8.453 12.953 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.440 -6.988 13.778 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.161 -8.313 14.722 1.00 0.00 H new ATOM 1007 N THR A 69 -8.265 -8.406 12.411 1.00 0.00 N ATOM 1008 CA THR A 69 -9.351 -9.347 12.181 1.00 0.00 C ATOM 1009 C THR A 69 -9.100 -10.067 10.856 1.00 0.00 C ATOM 1010 O THR A 69 -8.670 -9.442 9.889 1.00 0.00 O ATOM 1011 CB THR A 69 -10.696 -8.603 12.161 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.682 -7.573 11.194 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.036 -7.997 13.527 1.00 0.00 C ATOM 0 H THR A 69 -7.982 -7.913 11.564 1.00 0.00 H new ATOM 0 HA THR A 69 -9.391 -10.082 12.985 1.00 0.00 H new ATOM 0 HB THR A 69 -11.459 -9.340 11.908 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.547 -7.112 11.195 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.994 -7.481 13.468 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.097 -8.790 14.272 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.259 -7.288 13.814 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.358 -11.379 10.808 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.134 -12.185 9.615 1.00 0.00 C ATOM 1023 C LEU A 70 -10.039 -11.715 8.474 1.00 0.00 C ATOM 1024 O LEU A 70 -11.181 -11.322 8.705 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.397 -13.669 9.911 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.529 -14.255 11.038 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.882 -15.732 11.233 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -7.029 -14.130 10.751 1.00 0.00 C ATOM 0 H LEU A 70 -9.728 -11.907 11.599 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.094 -12.065 9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.447 -13.794 10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.227 -14.244 9.001 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.739 -13.682 11.941 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.269 -16.150 12.031 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.935 -15.822 11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.694 -16.276 10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.463 -14.559 11.578 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.789 -14.664 9.832 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.766 -13.078 10.639 1.00 0.00 H new