USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 668 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 4 ASN : amide:sc= -6.54! C(o=-6.5!,f=-13!) USER MOD Set 1.2: A 6 TYR OH : rot 180:sc= -0.0468 USER MOD Set 1.3: A 78 SER OG : rot 97:sc= 0.0799! USER MOD Set 2.1: A 3 GLN : amide:sc= -10! C(o=-10!,f=-15!) USER MOD Set 2.2: A 64 TYR OH : rot -64:sc= -0.44 USER MOD Single : A 5 SER OG : rot 180:sc=0.000629 USER MOD Single : A 12 THR OG1 : rot 83:sc= 0.13 USER MOD Single : A 15 HIS :FLIP no HE2:sc= -9.34! C(o=-9.9!,f=-9.3!) USER MOD Single : A 20 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 21 MET CE :methyl -129:sc= -0.0443 (180deg=-0.379) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= -2.18! (180deg=-4.43!) USER MOD Single : A 31 SER OG : rot 61:sc= -1.15 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.12! C(o=-2.2!,f=-1.1!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 38 ASN :FLIP amide:sc= -11.3! C(o=-12!,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0347) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= 1.06 (180deg=0.25) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.462 F(o=-2.6,f=-0.46) USER MOD Single : A 45 LYS NZ :NH3+ -103:sc= -1.27 (180deg=-1.89) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 147:sc= -0.756! (180deg=-2.99!) USER MOD Single : A 52 SER OG : rot -39:sc= 0.457 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 64:sc= -2.41! USER MOD Single : A 75 GLN : amide:sc= -9.49! C(o=-9.5!,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -6.819 -0.760 11.657 1.00 0.00 N ATOM 19 CA GLU A 2 -6.000 -1.926 11.372 1.00 0.00 C ATOM 20 C GLU A 2 -5.055 -1.639 10.205 1.00 0.00 C ATOM 21 O GLU A 2 -5.502 -1.414 9.080 1.00 0.00 O ATOM 22 CB GLU A 2 -6.871 -3.151 11.086 1.00 0.00 C ATOM 23 CG GLU A 2 -6.278 -3.992 9.953 1.00 0.00 C ATOM 24 CD GLU A 2 -6.544 -5.481 10.179 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.098 -6.319 9.381 1.00 0.00 O ATOM 26 OE2 GLU A 2 -7.239 -5.758 11.230 1.00 0.00 O ATOM 0 HA GLU A 2 -5.398 -2.148 12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.958 -3.758 11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.878 -2.831 10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.709 -3.682 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.204 -3.816 9.889 1.00 0.00 H new ATOM 34 N GLN A 3 -3.766 -1.657 10.509 1.00 0.00 N ATOM 35 CA GLN A 3 -2.755 -1.401 9.498 1.00 0.00 C ATOM 36 C GLN A 3 -1.830 -2.612 9.354 1.00 0.00 C ATOM 37 O GLN A 3 -1.980 -3.601 10.070 1.00 0.00 O ATOM 38 CB GLN A 3 -1.955 -0.139 9.828 1.00 0.00 C ATOM 39 CG GLN A 3 -1.031 -0.372 11.024 1.00 0.00 C ATOM 40 CD GLN A 3 0.278 0.406 10.866 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.387 1.333 10.082 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.261 -0.025 11.651 1.00 0.00 N ATOM 0 H GLN A 3 -3.398 -1.845 11.442 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.257 -1.235 8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.365 0.159 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.638 0.682 10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.533 -0.064 11.941 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.816 -1.436 11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.101 -0.808 12.285 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.175 0.427 11.619 1.00 0.00 H new ATOM 51 N ASN A 4 -0.896 -2.495 8.421 1.00 0.00 N ATOM 52 CA ASN A 4 0.053 -3.568 8.174 1.00 0.00 C ATOM 53 C ASN A 4 1.326 -2.986 7.557 1.00 0.00 C ATOM 54 O ASN A 4 1.261 -2.226 6.592 1.00 0.00 O ATOM 55 CB ASN A 4 -0.521 -4.594 7.194 1.00 0.00 C ATOM 56 CG ASN A 4 -1.314 -5.673 7.933 1.00 0.00 C ATOM 57 OD1 ASN A 4 -2.437 -5.469 8.363 1.00 0.00 O ATOM 58 ND2 ASN A 4 -0.670 -6.831 8.054 1.00 0.00 N ATOM 0 H ASN A 4 -0.776 -1.674 7.827 1.00 0.00 H new ATOM 0 HA ASN A 4 0.266 -4.056 9.125 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.167 -4.092 6.473 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.289 -5.055 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.116 -7.615 8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.269 -6.935 7.671 1.00 0.00 H new ATOM 65 N SER A 5 2.453 -3.364 8.141 1.00 0.00 N ATOM 66 CA SER A 5 3.740 -2.888 7.661 1.00 0.00 C ATOM 67 C SER A 5 4.385 -3.943 6.759 1.00 0.00 C ATOM 68 O SER A 5 4.054 -5.125 6.845 1.00 0.00 O ATOM 69 CB SER A 5 4.671 -2.546 8.826 1.00 0.00 C ATOM 70 OG SER A 5 4.017 -2.671 10.086 1.00 0.00 O ATOM 0 H SER A 5 2.502 -3.994 8.942 1.00 0.00 H new ATOM 0 HA SER A 5 3.574 -1.978 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.539 -3.204 8.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.040 -1.527 8.708 1.00 0.00 H new ATOM 0 HG SER A 5 4.645 -2.446 10.804 1.00 0.00 H new ATOM 76 N TYR A 6 5.294 -3.479 5.915 1.00 0.00 N ATOM 77 CA TYR A 6 5.988 -4.367 4.999 1.00 0.00 C ATOM 78 C TYR A 6 7.350 -3.793 4.603 1.00 0.00 C ATOM 79 O TYR A 6 7.722 -2.708 5.047 1.00 0.00 O ATOM 80 CB TYR A 6 5.106 -4.460 3.752 1.00 0.00 C ATOM 81 CG TYR A 6 3.688 -4.966 4.029 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.499 -6.188 4.643 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.599 -4.200 3.665 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.166 -6.664 4.903 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.266 -4.676 3.927 1.00 0.00 C ATOM 86 CZ TYR A 6 1.114 -5.885 4.533 1.00 0.00 C ATOM 87 OH TYR A 6 -0.145 -6.334 4.778 1.00 0.00 O ATOM 0 H TYR A 6 5.566 -2.498 5.846 1.00 0.00 H new ATOM 0 HA TYR A 6 6.160 -5.338 5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.045 -3.475 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.583 -5.123 3.031 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.351 -6.787 4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.747 -3.244 3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.004 -7.619 5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.405 -4.086 3.649 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.795 -5.673 4.461 1.00 0.00 H new ATOM 97 N VAL A 7 8.056 -4.546 3.773 1.00 0.00 N ATOM 98 CA VAL A 7 9.368 -4.125 3.312 1.00 0.00 C ATOM 99 C VAL A 7 9.439 -4.263 1.790 1.00 0.00 C ATOM 100 O VAL A 7 9.004 -5.271 1.234 1.00 0.00 O ATOM 101 CB VAL A 7 10.456 -4.921 4.035 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.852 -6.090 4.817 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.522 -5.411 3.053 1.00 0.00 C ATOM 0 H VAL A 7 7.744 -5.446 3.407 1.00 0.00 H new ATOM 0 HA VAL A 7 9.537 -3.075 3.551 1.00 0.00 H new ATOM 0 HB VAL A 7 10.940 -4.254 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.647 -6.639 5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.149 -5.708 5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.330 -6.756 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.283 -5.974 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.059 -6.053 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.984 -4.555 2.561 1.00 0.00 H new ATOM 113 N ILE A 8 9.988 -3.236 1.160 1.00 0.00 N ATOM 114 CA ILE A 8 10.122 -3.230 -0.288 1.00 0.00 C ATOM 115 C ILE A 8 11.337 -4.070 -0.687 1.00 0.00 C ATOM 116 O ILE A 8 12.426 -3.889 -0.146 1.00 0.00 O ATOM 117 CB ILE A 8 10.166 -1.795 -0.816 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.899 -1.029 -0.431 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.414 -1.773 -2.325 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.645 -1.790 -0.867 1.00 0.00 C ATOM 0 H ILE A 8 10.346 -2.401 1.625 1.00 0.00 H new ATOM 0 HA ILE A 8 9.250 -3.689 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 8 11.006 -1.284 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.878 -0.873 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.910 -0.043 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.441 -0.741 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.367 -2.255 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.612 -2.308 -2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.758 -1.224 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.658 -1.923 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.624 -2.766 -0.382 1.00 0.00 H new ATOM 132 N ILE A 9 11.107 -4.973 -1.629 1.00 0.00 N ATOM 133 CA ILE A 9 12.168 -5.842 -2.107 1.00 0.00 C ATOM 134 C ILE A 9 12.298 -5.695 -3.625 1.00 0.00 C ATOM 135 O ILE A 9 13.160 -6.320 -4.242 1.00 0.00 O ATOM 136 CB ILE A 9 11.931 -7.281 -1.646 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.715 -7.888 -2.349 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.810 -7.356 -0.124 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.765 -9.418 -2.310 1.00 0.00 C ATOM 0 H ILE A 9 10.201 -5.121 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 9 13.125 -5.548 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 9 12.798 -7.878 -1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.801 -7.538 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.682 -7.548 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.642 -8.390 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.730 -6.990 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.972 -6.741 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.889 -9.824 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.668 -9.765 -2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.773 -9.755 -1.274 1.00 0.00 H new ATOM 151 N ASP A 10 11.428 -4.867 -4.183 1.00 0.00 N ATOM 152 CA ASP A 10 11.433 -4.630 -5.617 1.00 0.00 C ATOM 153 C ASP A 10 12.286 -3.396 -5.923 1.00 0.00 C ATOM 154 O ASP A 10 12.047 -2.321 -5.375 1.00 0.00 O ATOM 155 CB ASP A 10 10.018 -4.368 -6.138 1.00 0.00 C ATOM 156 CG ASP A 10 9.925 -4.082 -7.638 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.827 -3.901 -8.186 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.055 -4.047 -8.259 1.00 0.00 O ATOM 0 H ASP A 10 10.714 -4.351 -3.668 1.00 0.00 H new ATOM 0 HA ASP A 10 11.837 -5.518 -6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.396 -5.234 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.598 -3.521 -5.595 1.00 0.00 H new ATOM 164 N GLU A 11 13.262 -3.593 -6.796 1.00 0.00 N ATOM 165 CA GLU A 11 14.151 -2.510 -7.181 1.00 0.00 C ATOM 166 C GLU A 11 13.391 -1.465 -8.000 1.00 0.00 C ATOM 167 O GLU A 11 13.915 -0.387 -8.279 1.00 0.00 O ATOM 168 CB GLU A 11 15.359 -3.040 -7.956 1.00 0.00 C ATOM 169 CG GLU A 11 16.138 -4.061 -7.125 1.00 0.00 C ATOM 170 CD GLU A 11 17.104 -3.364 -6.165 1.00 0.00 C ATOM 171 OE1 GLU A 11 16.896 -2.191 -5.821 1.00 0.00 O ATOM 172 OE2 GLU A 11 18.100 -4.084 -5.775 1.00 0.00 O ATOM 0 H GLU A 11 13.457 -4.486 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 11 14.523 -2.033 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.025 -3.501 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.013 -2.212 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.443 -4.682 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.693 -4.726 -7.787 1.00 0.00 H new ATOM 180 N THR A 12 12.166 -1.818 -8.361 1.00 0.00 N ATOM 181 CA THR A 12 11.328 -0.924 -9.142 1.00 0.00 C ATOM 182 C THR A 12 10.546 0.014 -8.220 1.00 0.00 C ATOM 183 O THR A 12 9.999 1.020 -8.671 1.00 0.00 O ATOM 184 CB THR A 12 10.433 -1.779 -10.040 1.00 0.00 C ATOM 185 OG1 THR A 12 11.349 -2.566 -10.797 1.00 0.00 O ATOM 186 CG2 THR A 12 9.695 -0.949 -11.093 1.00 0.00 C ATOM 0 H THR A 12 11.733 -2.712 -8.127 1.00 0.00 H new ATOM 0 HA THR A 12 11.928 -0.276 -9.780 1.00 0.00 H new ATOM 0 HB THR A 12 9.708 -2.313 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.615 -3.351 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.074 -1.605 -11.703 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.065 -0.210 -10.598 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.420 -0.440 -11.729 1.00 0.00 H new ATOM 194 N GLY A 13 10.517 -0.348 -6.946 1.00 0.00 N ATOM 195 CA GLY A 13 9.811 0.449 -5.957 1.00 0.00 C ATOM 196 C GLY A 13 8.349 0.649 -6.358 1.00 0.00 C ATOM 197 O GLY A 13 8.062 1.218 -7.410 1.00 0.00 O ATOM 0 H GLY A 13 10.971 -1.183 -6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.862 -0.042 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.299 1.418 -5.850 1.00 0.00 H new ATOM 201 N ILE A 14 7.462 0.171 -5.497 1.00 0.00 N ATOM 202 CA ILE A 14 6.035 0.290 -5.749 1.00 0.00 C ATOM 203 C ILE A 14 5.791 1.418 -6.753 1.00 0.00 C ATOM 204 O ILE A 14 5.977 2.591 -6.432 1.00 0.00 O ATOM 205 CB ILE A 14 5.272 0.462 -4.434 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.406 -0.763 -4.137 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.453 1.755 -4.441 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.021 -0.622 -4.771 1.00 0.00 C ATOM 0 H ILE A 14 7.703 -0.299 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 14 5.650 -0.626 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 14 5.999 0.545 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.895 -1.659 -4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.305 -0.889 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.920 1.853 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.120 2.607 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.735 1.726 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.425 -1.506 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.525 0.262 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.124 -0.521 -5.851 1.00 0.00 H new ATOM 220 N HIS A 15 5.380 1.023 -7.949 1.00 0.00 N ATOM 221 CA HIS A 15 5.108 1.987 -9.002 1.00 0.00 C ATOM 222 C HIS A 15 3.600 2.061 -9.255 1.00 0.00 C ATOM 223 O HIS A 15 2.810 1.543 -8.467 1.00 0.00 O ATOM 224 CB HIS A 15 5.905 1.649 -10.265 1.00 0.00 C ATOM 225 CG HIS A 15 6.214 0.180 -10.422 1.00 0.00 C ATOM 226 ND1 HIS A 15 6.933 -0.669 -9.633 1.00 0.00 N flip ATOM 227 CD2 HIS A 15 5.763 -0.570 -11.493 1.00 0.00 C flip ATOM 228 CE1 HIS A 15 6.921 -1.873 -10.191 1.00 0.00 C flip ATOM 229 NE2 HIS A 15 6.197 -1.814 -11.346 1.00 0.00 N flip ATOM 0 H HIS A 15 5.229 0.049 -8.212 1.00 0.00 H new ATOM 0 HA HIS A 15 5.437 2.977 -8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.345 1.987 -11.137 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.841 2.207 -10.252 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.401 -0.421 -8.761 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.160 -0.204 -12.311 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.405 -2.754 -9.796 1.00 0.00 H new ATOM 237 N ALA A 16 3.249 2.709 -10.355 1.00 0.00 N ATOM 238 CA ALA A 16 1.850 2.857 -10.721 1.00 0.00 C ATOM 239 C ALA A 16 1.264 1.482 -11.049 1.00 0.00 C ATOM 240 O ALA A 16 0.065 1.262 -10.893 1.00 0.00 O ATOM 241 CB ALA A 16 1.730 3.837 -11.891 1.00 0.00 C ATOM 0 H ALA A 16 3.908 3.138 -11.005 1.00 0.00 H new ATOM 0 HA ALA A 16 1.277 3.269 -9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.681 3.949 -12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.133 4.806 -11.597 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.290 3.455 -12.744 1.00 0.00 H new ATOM 247 N ARG A 17 2.139 0.593 -11.497 1.00 0.00 N ATOM 248 CA ARG A 17 1.723 -0.754 -11.848 1.00 0.00 C ATOM 249 C ARG A 17 1.047 -1.429 -10.653 1.00 0.00 C ATOM 250 O ARG A 17 -0.146 -1.726 -10.696 1.00 0.00 O ATOM 251 CB ARG A 17 2.918 -1.600 -12.294 1.00 0.00 C ATOM 252 CG ARG A 17 2.846 -1.902 -13.792 1.00 0.00 C ATOM 253 CD ARG A 17 3.621 -3.177 -14.132 1.00 0.00 C ATOM 254 NE ARG A 17 2.693 -4.214 -14.637 1.00 0.00 N ATOM 255 CZ ARG A 17 2.073 -4.154 -15.823 1.00 0.00 C ATOM 256 NH1 ARG A 17 2.276 -3.106 -16.633 1.00 0.00 N ATOM 257 NH2 ARG A 17 1.248 -5.141 -16.199 1.00 0.00 N ATOM 0 H ARG A 17 3.134 0.779 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 17 1.016 -0.679 -12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.845 -1.073 -12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.938 -2.533 -11.732 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.805 -2.013 -14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.254 -1.063 -14.356 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.381 -2.961 -14.883 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.142 -3.543 -13.247 1.00 0.00 H new ATOM 0 HE ARG A 17 2.514 -5.025 -14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.903 -2.354 -16.347 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.804 -3.060 -17.536 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.092 -5.938 -15.582 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.776 -5.095 -17.102 1.00 0.00 H new ATOM 271 N PRO A 18 1.859 -1.657 -9.586 1.00 0.00 N ATOM 272 CA PRO A 18 1.353 -2.291 -8.381 1.00 0.00 C ATOM 273 C PRO A 18 0.498 -1.317 -7.567 1.00 0.00 C ATOM 274 O PRO A 18 -0.613 -1.652 -7.158 1.00 0.00 O ATOM 275 CB PRO A 18 2.589 -2.764 -7.635 1.00 0.00 C ATOM 276 CG PRO A 18 3.752 -1.973 -8.212 1.00 0.00 C ATOM 277 CD PRO A 18 3.277 -1.318 -9.499 1.00 0.00 C ATOM 0 HA PRO A 18 0.689 -3.129 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.490 -2.588 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.740 -3.835 -7.769 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.090 -1.218 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.600 -2.629 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.425 -0.238 -9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.828 -1.694 -10.361 1.00 0.00 H new ATOM 285 N ALA A 19 1.049 -0.131 -7.355 1.00 0.00 N ATOM 286 CA ALA A 19 0.352 0.894 -6.597 1.00 0.00 C ATOM 287 C ALA A 19 -1.125 0.901 -6.997 1.00 0.00 C ATOM 288 O ALA A 19 -1.995 1.175 -6.170 1.00 0.00 O ATOM 289 CB ALA A 19 1.026 2.247 -6.828 1.00 0.00 C ATOM 0 H ALA A 19 1.971 0.143 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 19 0.403 0.684 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.503 3.016 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.064 2.197 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.992 2.494 -7.889 1.00 0.00 H new ATOM 295 N THR A 20 -1.364 0.597 -8.264 1.00 0.00 N ATOM 296 CA THR A 20 -2.721 0.565 -8.783 1.00 0.00 C ATOM 297 C THR A 20 -3.510 -0.578 -8.142 1.00 0.00 C ATOM 298 O THR A 20 -4.552 -0.352 -7.531 1.00 0.00 O ATOM 299 CB THR A 20 -2.642 0.470 -10.308 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.341 1.799 -10.723 1.00 0.00 O ATOM 301 CG2 THR A 20 -4.000 0.178 -10.947 1.00 0.00 C ATOM 0 H THR A 20 -0.641 0.371 -8.947 1.00 0.00 H new ATOM 0 HA THR A 20 -3.264 1.475 -8.528 1.00 0.00 H new ATOM 0 HB THR A 20 -1.935 -0.311 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.377 1.956 -10.644 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.888 0.121 -12.030 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.382 -0.771 -10.571 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.699 0.976 -10.696 1.00 0.00 H new ATOM 309 N MET A 21 -2.983 -1.783 -8.307 1.00 0.00 N ATOM 310 CA MET A 21 -3.625 -2.963 -7.752 1.00 0.00 C ATOM 311 C MET A 21 -3.830 -2.817 -6.244 1.00 0.00 C ATOM 312 O MET A 21 -4.913 -3.097 -5.731 1.00 0.00 O ATOM 313 CB MET A 21 -2.761 -4.194 -8.033 1.00 0.00 C ATOM 314 CG MET A 21 -2.640 -4.447 -9.537 1.00 0.00 C ATOM 315 SD MET A 21 -2.208 -6.153 -9.837 1.00 0.00 S ATOM 316 CE MET A 21 -3.789 -6.928 -9.550 1.00 0.00 C ATOM 0 H MET A 21 -2.119 -1.967 -8.817 1.00 0.00 H new ATOM 0 HA MET A 21 -4.601 -3.078 -8.223 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.769 -4.052 -7.603 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.197 -5.067 -7.548 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.582 -4.210 -10.031 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.882 -3.791 -9.965 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.668 -7.753 -8.848 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.482 -6.197 -9.134 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.184 -7.308 -10.492 1.00 0.00 H new ATOM 326 N LEU A 22 -2.775 -2.380 -5.573 1.00 0.00 N ATOM 327 CA LEU A 22 -2.826 -2.194 -4.133 1.00 0.00 C ATOM 328 C LEU A 22 -3.908 -1.168 -3.795 1.00 0.00 C ATOM 329 O LEU A 22 -4.769 -1.422 -2.953 1.00 0.00 O ATOM 330 CB LEU A 22 -1.442 -1.831 -3.590 1.00 0.00 C ATOM 331 CG LEU A 22 -0.900 -2.731 -2.478 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.095 -3.895 -3.059 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.090 -1.922 -1.464 1.00 0.00 C ATOM 0 H LEU A 22 -1.878 -2.149 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.102 -3.125 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.734 -1.844 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.477 -0.807 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.747 -3.161 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.279 -4.519 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.735 -4.491 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.745 -3.505 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.284 -2.586 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.750 -1.444 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.726 -1.158 -1.016 1.00 0.00 H new ATOM 345 N VAL A 23 -3.831 -0.029 -4.467 1.00 0.00 N ATOM 346 CA VAL A 23 -4.794 1.037 -4.249 1.00 0.00 C ATOM 347 C VAL A 23 -6.193 0.539 -4.617 1.00 0.00 C ATOM 348 O VAL A 23 -7.161 0.819 -3.913 1.00 0.00 O ATOM 349 CB VAL A 23 -4.379 2.286 -5.028 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.596 3.144 -5.379 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.341 3.099 -4.251 1.00 0.00 C ATOM 0 H VAL A 23 -3.116 0.179 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.817 1.321 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.919 1.960 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.272 4.025 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.286 2.564 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.098 3.455 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.064 3.981 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.763 3.409 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.456 2.487 -4.076 1.00 0.00 H new ATOM 361 N GLN A 24 -6.254 -0.191 -5.721 1.00 0.00 N ATOM 362 CA GLN A 24 -7.519 -0.731 -6.193 1.00 0.00 C ATOM 363 C GLN A 24 -8.095 -1.706 -5.165 1.00 0.00 C ATOM 364 O GLN A 24 -9.161 -1.462 -4.603 1.00 0.00 O ATOM 365 CB GLN A 24 -7.352 -1.405 -7.556 1.00 0.00 C ATOM 366 CG GLN A 24 -8.610 -1.234 -8.410 1.00 0.00 C ATOM 367 CD GLN A 24 -8.561 -2.133 -9.646 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.220 -3.156 -9.729 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.744 -1.696 -10.601 1.00 0.00 N ATOM 0 H GLN A 24 -5.448 -0.421 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.222 0.093 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.495 -0.976 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.143 -2.466 -7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.492 -1.474 -7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.706 -0.193 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.221 -0.831 -10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.641 -2.226 -11.466 1.00 0.00 H new ATOM 378 N THR A 25 -7.364 -2.790 -4.951 1.00 0.00 N ATOM 379 CA THR A 25 -7.789 -3.804 -4.000 1.00 0.00 C ATOM 380 C THR A 25 -8.045 -3.175 -2.629 1.00 0.00 C ATOM 381 O THR A 25 -8.795 -3.722 -1.821 1.00 0.00 O ATOM 382 CB THR A 25 -6.727 -4.904 -3.975 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.301 -5.957 -4.744 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.548 -5.515 -2.583 1.00 0.00 C ATOM 0 H THR A 25 -6.480 -2.989 -5.420 1.00 0.00 H new ATOM 0 HA THR A 25 -8.736 -4.254 -4.298 1.00 0.00 H new ATOM 0 HB THR A 25 -5.776 -4.497 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.677 -6.712 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.783 -6.290 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.243 -4.739 -1.881 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.491 -5.952 -2.253 1.00 0.00 H new ATOM 392 N ALA A 26 -7.409 -2.034 -2.408 1.00 0.00 N ATOM 393 CA ALA A 26 -7.558 -1.326 -1.149 1.00 0.00 C ATOM 394 C ALA A 26 -8.979 -0.765 -1.049 1.00 0.00 C ATOM 395 O ALA A 26 -9.734 -1.136 -0.153 1.00 0.00 O ATOM 396 CB ALA A 26 -6.491 -0.233 -1.048 1.00 0.00 C ATOM 0 H ALA A 26 -6.789 -1.582 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.411 -2.004 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.603 0.298 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.501 -0.686 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.609 0.468 -1.874 1.00 0.00 H new ATOM 402 N SER A 27 -9.298 0.120 -1.982 1.00 0.00 N ATOM 403 CA SER A 27 -10.613 0.735 -2.011 1.00 0.00 C ATOM 404 C SER A 27 -11.651 -0.272 -2.511 1.00 0.00 C ATOM 405 O SER A 27 -12.755 -0.350 -1.972 1.00 0.00 O ATOM 406 CB SER A 27 -10.618 1.985 -2.894 1.00 0.00 C ATOM 407 OG SER A 27 -10.495 1.662 -4.277 1.00 0.00 O ATOM 0 H SER A 27 -8.668 0.426 -2.724 1.00 0.00 H new ATOM 0 HA SER A 27 -10.870 1.039 -0.996 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.542 2.540 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.798 2.640 -2.600 1.00 0.00 H new ATOM 0 HG SER A 27 -10.504 2.486 -4.807 1.00 0.00 H new ATOM 413 N LYS A 28 -11.261 -1.016 -3.534 1.00 0.00 N ATOM 414 CA LYS A 28 -12.143 -2.016 -4.112 1.00 0.00 C ATOM 415 C LYS A 28 -13.044 -2.590 -3.016 1.00 0.00 C ATOM 416 O LYS A 28 -14.216 -2.873 -3.257 1.00 0.00 O ATOM 417 CB LYS A 28 -11.334 -3.076 -4.862 1.00 0.00 C ATOM 418 CG LYS A 28 -10.858 -2.546 -6.216 1.00 0.00 C ATOM 419 CD LYS A 28 -12.010 -2.499 -7.222 1.00 0.00 C ATOM 420 CE LYS A 28 -12.812 -3.802 -7.200 1.00 0.00 C ATOM 421 NZ LYS A 28 -13.883 -3.733 -6.181 1.00 0.00 N ATOM 0 H LYS A 28 -10.346 -0.947 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.797 -1.562 -4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.475 -3.375 -4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.944 -3.967 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.437 -1.548 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.061 -3.183 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.666 -1.660 -6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.616 -2.327 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.248 -3.985 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.150 -4.640 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.638 -4.346 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.984 -2.752 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.781 -4.052 -6.599 1.00 0.00 H new ATOM 435 N PHE A 29 -12.461 -2.743 -1.837 1.00 0.00 N ATOM 436 CA PHE A 29 -13.196 -3.278 -0.703 1.00 0.00 C ATOM 437 C PHE A 29 -14.211 -2.260 -0.177 1.00 0.00 C ATOM 438 O PHE A 29 -15.341 -2.201 -0.656 1.00 0.00 O ATOM 439 CB PHE A 29 -12.172 -3.574 0.395 1.00 0.00 C ATOM 440 CG PHE A 29 -11.373 -4.860 0.170 1.00 0.00 C ATOM 441 CD1 PHE A 29 -10.761 -5.080 -1.025 1.00 0.00 C ATOM 442 CD2 PHE A 29 -11.274 -5.781 1.164 1.00 0.00 C ATOM 443 CE1 PHE A 29 -10.019 -6.271 -1.234 1.00 0.00 C ATOM 444 CE2 PHE A 29 -10.531 -6.974 0.956 1.00 0.00 C ATOM 445 CZ PHE A 29 -9.920 -7.194 -0.239 1.00 0.00 C ATOM 0 H PHE A 29 -11.488 -2.506 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.741 -4.173 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.479 -2.736 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.690 -3.643 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.840 -4.348 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.760 -5.606 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.533 -6.445 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.451 -7.706 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.356 -8.101 -0.398 1.00 0.00 H new ATOM 455 N ASP A 30 -13.768 -1.484 0.801 1.00 0.00 N ATOM 456 CA ASP A 30 -14.622 -0.471 1.398 1.00 0.00 C ATOM 457 C ASP A 30 -13.840 0.280 2.476 1.00 0.00 C ATOM 458 O ASP A 30 -13.711 1.501 2.417 1.00 0.00 O ATOM 459 CB ASP A 30 -15.849 -1.105 2.058 1.00 0.00 C ATOM 460 CG ASP A 30 -16.616 -0.188 3.012 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.928 0.965 2.678 1.00 0.00 O ATOM 462 OD2 ASP A 30 -16.897 -0.706 4.159 1.00 0.00 O ATOM 0 H ASP A 30 -12.829 -1.536 1.195 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.946 0.205 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.530 -1.442 1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.530 -1.991 2.607 1.00 0.00 H new ATOM 468 N SER A 31 -13.339 -0.483 3.437 1.00 0.00 N ATOM 469 CA SER A 31 -12.572 0.096 4.527 1.00 0.00 C ATOM 470 C SER A 31 -11.697 1.237 4.004 1.00 0.00 C ATOM 471 O SER A 31 -11.290 1.231 2.844 1.00 0.00 O ATOM 472 CB SER A 31 -11.707 -0.963 5.216 1.00 0.00 C ATOM 473 OG SER A 31 -11.826 -2.237 4.590 1.00 0.00 O ATOM 0 H SER A 31 -13.449 -1.496 3.483 1.00 0.00 H new ATOM 0 HA SER A 31 -13.271 0.491 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.664 -0.647 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.999 -1.045 6.263 1.00 0.00 H new ATOM 0 HG SER A 31 -11.527 -2.173 3.659 1.00 0.00 H new ATOM 479 N ASP A 32 -11.433 2.190 4.886 1.00 0.00 N ATOM 480 CA ASP A 32 -10.613 3.335 4.528 1.00 0.00 C ATOM 481 C ASP A 32 -9.141 3.000 4.777 1.00 0.00 C ATOM 482 O ASP A 32 -8.586 3.360 5.815 1.00 0.00 O ATOM 483 CB ASP A 32 -10.971 4.556 5.379 1.00 0.00 C ATOM 484 CG ASP A 32 -12.379 4.536 5.978 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.316 3.979 5.387 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.496 5.134 7.115 1.00 0.00 O ATOM 0 H ASP A 32 -11.773 2.193 5.848 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.791 3.563 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.248 4.639 6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.866 5.451 4.766 1.00 0.00 H new ATOM 492 N ILE A 33 -8.550 2.318 3.808 1.00 0.00 N ATOM 493 CA ILE A 33 -7.154 1.931 3.909 1.00 0.00 C ATOM 494 C ILE A 33 -6.270 3.129 3.557 1.00 0.00 C ATOM 495 O ILE A 33 -6.617 3.927 2.687 1.00 0.00 O ATOM 496 CB ILE A 33 -6.877 0.693 3.055 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.804 -0.461 3.445 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.402 0.292 3.129 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.651 -0.912 2.253 1.00 0.00 C ATOM 0 H ILE A 33 -9.013 2.023 2.948 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.913 1.645 4.933 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.091 0.942 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.212 -1.299 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.456 -0.149 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.234 -0.591 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.783 1.112 2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.137 0.069 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.300 -1.733 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.260 -0.078 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.997 -1.247 1.448 1.00 0.00 H new ATOM 511 N GLN A 34 -5.146 3.220 4.252 1.00 0.00 N ATOM 512 CA GLN A 34 -4.210 4.308 4.024 1.00 0.00 C ATOM 513 C GLN A 34 -2.798 3.757 3.808 1.00 0.00 C ATOM 514 O GLN A 34 -2.431 2.736 4.388 1.00 0.00 O ATOM 515 CB GLN A 34 -4.238 5.306 5.182 1.00 0.00 C ATOM 516 CG GLN A 34 -2.854 5.449 5.817 1.00 0.00 C ATOM 517 CD GLN A 34 -2.839 6.574 6.854 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.994 7.789 6.335 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 -2.696 6.354 8.045 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.862 2.558 4.974 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.513 4.840 3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.579 6.277 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.955 4.976 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.569 4.510 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.114 5.653 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.582 5.396 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.690 7.128 8.710 1.00 0.00 H new ATOM 528 N LEU A 35 -2.045 4.457 2.974 1.00 0.00 N ATOM 529 CA LEU A 35 -0.682 4.053 2.675 1.00 0.00 C ATOM 530 C LEU A 35 0.283 4.819 3.580 1.00 0.00 C ATOM 531 O LEU A 35 0.114 6.017 3.801 1.00 0.00 O ATOM 532 CB LEU A 35 -0.389 4.218 1.182 1.00 0.00 C ATOM 533 CG LEU A 35 0.592 3.213 0.575 1.00 0.00 C ATOM 534 CD1 LEU A 35 1.294 3.803 -0.649 1.00 0.00 C ATOM 535 CD2 LEU A 35 1.589 2.719 1.625 1.00 0.00 C ATOM 0 H LEU A 35 -2.353 5.303 2.495 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.544 2.993 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.331 4.150 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.002 5.222 1.018 1.00 0.00 H new ATOM 0 HG LEU A 35 0.026 2.346 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.986 3.068 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.552 4.065 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.846 4.696 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.275 2.006 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.153 3.565 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.050 2.234 2.439 1.00 0.00 H new ATOM 547 N GLU A 36 1.275 4.097 4.080 1.00 0.00 N ATOM 548 CA GLU A 36 2.268 4.695 4.957 1.00 0.00 C ATOM 549 C GLU A 36 3.671 4.221 4.572 1.00 0.00 C ATOM 550 O GLU A 36 3.842 3.101 4.093 1.00 0.00 O ATOM 551 CB GLU A 36 1.966 4.377 6.423 1.00 0.00 C ATOM 552 CG GLU A 36 3.148 4.752 7.319 1.00 0.00 C ATOM 553 CD GLU A 36 2.919 4.279 8.756 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.765 3.071 8.994 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.902 5.215 9.643 1.00 0.00 O ATOM 0 H GLU A 36 1.413 3.103 3.895 1.00 0.00 H new ATOM 0 HA GLU A 36 2.226 5.778 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.077 4.921 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.746 3.315 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.062 4.306 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.290 5.833 7.306 1.00 0.00 H new ATOM 563 N TYR A 37 4.639 5.097 4.794 1.00 0.00 N ATOM 564 CA TYR A 37 6.021 4.783 4.475 1.00 0.00 C ATOM 565 C TYR A 37 6.983 5.625 5.316 1.00 0.00 C ATOM 566 O TYR A 37 7.094 6.834 5.116 1.00 0.00 O ATOM 567 CB TYR A 37 6.206 5.141 2.999 1.00 0.00 C ATOM 568 CG TYR A 37 7.645 5.002 2.500 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.435 3.963 2.950 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.156 5.916 1.600 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.789 3.832 2.481 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.511 5.785 1.131 1.00 0.00 C ATOM 573 CZ TYR A 37 10.261 4.749 1.595 1.00 0.00 C ATOM 574 OH TYR A 37 11.540 4.626 1.151 1.00 0.00 O ATOM 0 H TYR A 37 4.494 6.025 5.191 1.00 0.00 H new ATOM 0 HA TYR A 37 6.233 3.734 4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.560 4.501 2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.875 6.167 2.841 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.036 3.248 3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.539 6.729 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.416 3.023 2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.923 6.493 0.427 1.00 0.00 H new ATOM 0 HH TYR A 37 11.739 5.351 0.522 1.00 0.00 H new ATOM 584 N ASN A 38 7.654 4.954 6.240 1.00 0.00 N ATOM 585 CA ASN A 38 8.602 5.625 7.112 1.00 0.00 C ATOM 586 C ASN A 38 7.930 6.844 7.748 1.00 0.00 C ATOM 587 O ASN A 38 8.478 7.945 7.719 1.00 0.00 O ATOM 588 CB ASN A 38 9.822 6.114 6.328 1.00 0.00 C ATOM 589 CG ASN A 38 9.409 7.090 5.224 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.587 6.621 3.993 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 8.958 8.196 5.475 1.00 0.00 N flip ATOM 0 H ASN A 38 7.560 3.952 6.404 1.00 0.00 H new ATOM 0 HA ASN A 38 8.923 4.912 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.523 6.601 7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.342 5.262 5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.847 8.494 6.444 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.692 8.823 4.715 1.00 0.00 H new ATOM 598 N GLY A 39 6.754 6.606 8.307 1.00 0.00 N ATOM 599 CA GLY A 39 6.001 7.670 8.950 1.00 0.00 C ATOM 600 C GLY A 39 5.315 8.561 7.911 1.00 0.00 C ATOM 601 O GLY A 39 4.691 9.561 8.262 1.00 0.00 O ATOM 0 H GLY A 39 6.303 5.691 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.253 7.240 9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.669 8.272 9.567 1.00 0.00 H new ATOM 605 N LYS A 40 5.455 8.165 6.655 1.00 0.00 N ATOM 606 CA LYS A 40 4.858 8.915 5.563 1.00 0.00 C ATOM 607 C LYS A 40 3.545 8.248 5.151 1.00 0.00 C ATOM 608 O LYS A 40 3.535 7.366 4.292 1.00 0.00 O ATOM 609 CB LYS A 40 5.855 9.073 4.413 1.00 0.00 C ATOM 610 CG LYS A 40 6.048 10.548 4.054 1.00 0.00 C ATOM 611 CD LYS A 40 7.123 11.191 4.933 1.00 0.00 C ATOM 612 CE LYS A 40 7.416 12.623 4.481 1.00 0.00 C ATOM 613 NZ LYS A 40 8.231 12.620 3.246 1.00 0.00 N ATOM 0 H LYS A 40 5.973 7.334 6.369 1.00 0.00 H new ATOM 0 HA LYS A 40 4.615 9.928 5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.813 8.635 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.499 8.526 3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.330 10.637 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.106 11.082 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.794 11.194 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.036 10.598 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.480 13.154 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.943 13.159 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.535 13.591 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.068 12.018 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.664 12.249 2.457 1.00 0.00 H new ATOM 627 N LYS A 41 2.468 8.694 5.782 1.00 0.00 N ATOM 628 CA LYS A 41 1.153 8.150 5.490 1.00 0.00 C ATOM 629 C LYS A 41 0.518 8.946 4.347 1.00 0.00 C ATOM 630 O LYS A 41 0.771 10.141 4.203 1.00 0.00 O ATOM 631 CB LYS A 41 0.297 8.109 6.758 1.00 0.00 C ATOM 632 CG LYS A 41 1.043 7.415 7.900 1.00 0.00 C ATOM 633 CD LYS A 41 1.998 8.384 8.600 1.00 0.00 C ATOM 634 CE LYS A 41 1.785 8.364 10.115 1.00 0.00 C ATOM 635 NZ LYS A 41 2.775 7.479 10.767 1.00 0.00 N ATOM 0 H LYS A 41 2.480 9.425 6.493 1.00 0.00 H new ATOM 0 HA LYS A 41 1.235 7.117 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.032 9.124 7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.636 7.583 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.326 7.021 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.603 6.565 7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.029 8.114 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.841 9.394 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.874 9.375 10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.776 8.020 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.379 7.111 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.001 6.686 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.641 8.018 10.971 1.00 0.00 H new ATOM 649 N VAL A 42 -0.294 8.251 3.564 1.00 0.00 N ATOM 650 CA VAL A 42 -0.965 8.877 2.439 1.00 0.00 C ATOM 651 C VAL A 42 -2.291 8.160 2.177 1.00 0.00 C ATOM 652 O VAL A 42 -2.752 7.379 3.009 1.00 0.00 O ATOM 653 CB VAL A 42 -0.042 8.890 1.219 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.426 8.815 1.641 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.393 7.756 0.253 1.00 0.00 C ATOM 0 H VAL A 42 -0.502 7.260 3.687 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.197 9.918 2.665 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.193 9.834 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.060 8.826 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.668 9.671 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.598 7.894 2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.278 7.788 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.285 6.798 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.422 7.873 -0.087 1.00 0.00 H new ATOM 665 N ASN A 43 -2.866 8.449 1.020 1.00 0.00 N ATOM 666 CA ASN A 43 -4.130 7.840 0.638 1.00 0.00 C ATOM 667 C ASN A 43 -3.857 6.611 -0.230 1.00 0.00 C ATOM 668 O ASN A 43 -3.338 6.732 -1.338 1.00 0.00 O ATOM 669 CB ASN A 43 -4.986 8.814 -0.175 1.00 0.00 C ATOM 670 CG ASN A 43 -6.399 8.912 0.401 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.260 8.045 -0.126 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.691 9.722 1.266 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.480 9.097 0.333 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.662 7.566 1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.520 9.800 -0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.034 8.483 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.982 10.360 1.628 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.644 9.761 1.627 1.00 0.00 H new ATOM 679 N LEU A 44 -4.220 5.455 0.307 1.00 0.00 N ATOM 680 CA LEU A 44 -4.021 4.205 -0.405 1.00 0.00 C ATOM 681 C LEU A 44 -5.086 4.069 -1.496 1.00 0.00 C ATOM 682 O LEU A 44 -5.368 2.965 -1.960 1.00 0.00 O ATOM 683 CB LEU A 44 -3.991 3.029 0.575 1.00 0.00 C ATOM 684 CG LEU A 44 -3.850 1.640 -0.050 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.073 1.706 -1.365 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.221 0.656 0.939 1.00 0.00 C ATOM 0 H LEU A 44 -4.651 5.358 1.227 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.051 4.200 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.163 3.180 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.908 3.049 1.164 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.847 1.268 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.987 0.705 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.600 2.353 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.077 2.108 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.132 -0.324 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.232 1.012 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.851 0.578 1.825 1.00 0.00 H new ATOM 698 N LYS A 45 -5.648 5.207 -1.874 1.00 0.00 N ATOM 699 CA LYS A 45 -6.676 5.230 -2.901 1.00 0.00 C ATOM 700 C LYS A 45 -6.208 6.107 -4.065 1.00 0.00 C ATOM 701 O LYS A 45 -6.959 6.341 -5.010 1.00 0.00 O ATOM 702 CB LYS A 45 -8.018 5.660 -2.308 1.00 0.00 C ATOM 703 CG LYS A 45 -8.081 5.349 -0.811 1.00 0.00 C ATOM 704 CD LYS A 45 -8.503 3.898 -0.570 1.00 0.00 C ATOM 705 CE LYS A 45 -9.992 3.808 -0.230 1.00 0.00 C ATOM 706 NZ LYS A 45 -10.185 3.705 1.233 1.00 0.00 N ATOM 0 H LYS A 45 -5.411 6.121 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.838 4.229 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.165 6.728 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.829 5.146 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.106 5.528 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.787 6.022 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.293 3.302 -1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.914 3.475 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.511 4.688 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.432 2.941 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.405 2.720 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.315 4.001 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.971 4.321 1.524 1.00 0.00 H new ATOM 720 N SER A 46 -4.971 6.567 -3.956 1.00 0.00 N ATOM 721 CA SER A 46 -4.394 7.413 -4.987 1.00 0.00 C ATOM 722 C SER A 46 -2.996 6.914 -5.353 1.00 0.00 C ATOM 723 O SER A 46 -2.270 6.406 -4.499 1.00 0.00 O ATOM 724 CB SER A 46 -4.335 8.873 -4.532 1.00 0.00 C ATOM 725 OG SER A 46 -4.305 9.775 -5.635 1.00 0.00 O ATOM 0 H SER A 46 -4.352 6.370 -3.170 1.00 0.00 H new ATOM 0 HA SER A 46 -5.033 7.361 -5.869 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.200 9.093 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.449 9.025 -3.915 1.00 0.00 H new ATOM 0 HG SER A 46 -4.269 10.696 -5.303 1.00 0.00 H new ATOM 731 N ILE A 47 -2.658 7.074 -6.624 1.00 0.00 N ATOM 732 CA ILE A 47 -1.358 6.647 -7.113 1.00 0.00 C ATOM 733 C ILE A 47 -0.343 7.772 -6.906 1.00 0.00 C ATOM 734 O ILE A 47 0.729 7.550 -6.345 1.00 0.00 O ATOM 735 CB ILE A 47 -1.461 6.172 -8.564 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.912 4.753 -8.718 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.778 7.157 -9.514 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.626 3.782 -7.774 1.00 0.00 C ATOM 0 H ILE A 47 -3.262 7.494 -7.330 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.002 5.788 -6.544 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.516 6.140 -8.838 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.037 4.421 -9.749 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.158 4.749 -8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.866 6.795 -10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.256 8.133 -9.432 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.276 7.246 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.216 2.780 -7.904 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.479 4.103 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.692 3.770 -8.002 1.00 0.00 H new ATOM 750 N MET A 48 -0.718 8.956 -7.368 1.00 0.00 N ATOM 751 CA MET A 48 0.146 10.117 -7.240 1.00 0.00 C ATOM 752 C MET A 48 0.905 10.092 -5.912 1.00 0.00 C ATOM 753 O MET A 48 2.035 10.572 -5.829 1.00 0.00 O ATOM 754 CB MET A 48 -0.695 11.391 -7.323 1.00 0.00 C ATOM 755 CG MET A 48 -1.157 11.651 -8.759 1.00 0.00 C ATOM 756 SD MET A 48 -0.417 13.154 -9.375 1.00 0.00 S ATOM 757 CE MET A 48 -1.762 14.296 -9.105 1.00 0.00 C ATOM 0 H MET A 48 -1.609 9.136 -7.831 1.00 0.00 H new ATOM 0 HA MET A 48 0.872 10.097 -8.053 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.562 11.302 -6.669 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.112 12.240 -6.965 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.880 10.812 -9.397 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.244 11.731 -8.791 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.467 15.291 -9.438 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.636 13.969 -9.669 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.006 14.326 -8.043 1.00 0.00 H new ATOM 767 N GLY A 49 0.254 9.526 -4.906 1.00 0.00 N ATOM 768 CA GLY A 49 0.854 9.432 -3.586 1.00 0.00 C ATOM 769 C GLY A 49 1.740 8.190 -3.473 1.00 0.00 C ATOM 770 O GLY A 49 2.938 8.298 -3.216 1.00 0.00 O ATOM 0 H GLY A 49 -0.682 9.128 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.447 10.325 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.071 9.395 -2.829 1.00 0.00 H new ATOM 774 N VAL A 50 1.117 7.038 -3.672 1.00 0.00 N ATOM 775 CA VAL A 50 1.834 5.776 -3.596 1.00 0.00 C ATOM 776 C VAL A 50 3.056 5.834 -4.513 1.00 0.00 C ATOM 777 O VAL A 50 4.071 5.194 -4.242 1.00 0.00 O ATOM 778 CB VAL A 50 0.891 4.618 -3.929 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.610 3.273 -3.805 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.358 4.655 -3.046 1.00 0.00 C ATOM 0 H VAL A 50 0.123 6.952 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 50 2.196 5.602 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 50 0.572 4.734 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.918 2.467 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.453 3.246 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.972 3.147 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.011 3.821 -3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.066 4.577 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.889 5.594 -3.205 1.00 0.00 H new ATOM 790 N MET A 51 2.920 6.607 -5.581 1.00 0.00 N ATOM 791 CA MET A 51 4.002 6.757 -6.539 1.00 0.00 C ATOM 792 C MET A 51 5.068 7.722 -6.017 1.00 0.00 C ATOM 793 O MET A 51 6.255 7.400 -6.015 1.00 0.00 O ATOM 794 CB MET A 51 3.442 7.282 -7.863 1.00 0.00 C ATOM 795 CG MET A 51 2.470 6.277 -8.484 1.00 0.00 C ATOM 796 SD MET A 51 2.386 6.520 -10.250 1.00 0.00 S ATOM 797 CE MET A 51 4.121 6.430 -10.659 1.00 0.00 C ATOM 0 H MET A 51 2.077 7.136 -5.804 1.00 0.00 H new ATOM 0 HA MET A 51 4.465 5.782 -6.691 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.932 8.231 -7.696 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.260 7.478 -8.556 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.795 5.260 -8.264 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.480 6.397 -8.045 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.239 5.986 -11.647 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.547 7.433 -10.659 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.637 5.816 -9.921 1.00 0.00 H new ATOM 807 N SER A 52 4.606 8.887 -5.586 1.00 0.00 N ATOM 808 CA SER A 52 5.505 9.901 -5.062 1.00 0.00 C ATOM 809 C SER A 52 5.977 9.508 -3.661 1.00 0.00 C ATOM 810 O SER A 52 6.651 10.287 -2.988 1.00 0.00 O ATOM 811 CB SER A 52 4.828 11.273 -5.030 1.00 0.00 C ATOM 812 OG SER A 52 5.749 12.315 -4.717 1.00 0.00 O ATOM 0 H SER A 52 3.621 9.151 -5.589 1.00 0.00 H new ATOM 0 HA SER A 52 6.369 9.968 -5.723 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.369 11.474 -5.998 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.026 11.264 -4.292 1.00 0.00 H new ATOM 0 HG SER A 52 6.373 12.004 -4.028 1.00 0.00 H new ATOM 818 N LEU A 53 5.606 8.300 -3.262 1.00 0.00 N ATOM 819 CA LEU A 53 5.983 7.795 -1.953 1.00 0.00 C ATOM 820 C LEU A 53 7.371 7.159 -2.038 1.00 0.00 C ATOM 821 O LEU A 53 7.815 6.502 -1.098 1.00 0.00 O ATOM 822 CB LEU A 53 4.906 6.852 -1.413 1.00 0.00 C ATOM 823 CG LEU A 53 3.857 7.485 -0.497 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.233 7.306 0.975 1.00 0.00 C ATOM 825 CD2 LEU A 53 3.634 8.956 -0.855 1.00 0.00 C ATOM 0 H LEU A 53 5.048 7.656 -3.823 1.00 0.00 H new ATOM 0 HA LEU A 53 6.049 8.611 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.392 6.397 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.397 6.046 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 53 2.911 6.967 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.470 7.765 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.302 6.243 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.195 7.782 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.884 9.383 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.570 9.503 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.289 9.031 -1.886 1.00 0.00 H new ATOM 837 N GLY A 54 8.020 7.378 -3.173 1.00 0.00 N ATOM 838 CA GLY A 54 9.350 6.834 -3.392 1.00 0.00 C ATOM 839 C GLY A 54 9.519 5.493 -2.675 1.00 0.00 C ATOM 840 O GLY A 54 10.509 5.278 -1.977 1.00 0.00 O ATOM 0 H GLY A 54 7.649 7.925 -3.950 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.522 6.703 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.099 7.540 -3.033 1.00 0.00 H new ATOM 844 N VAL A 55 8.536 4.625 -2.872 1.00 0.00 N ATOM 845 CA VAL A 55 8.564 3.311 -2.253 1.00 0.00 C ATOM 846 C VAL A 55 9.765 2.526 -2.787 1.00 0.00 C ATOM 847 O VAL A 55 9.599 1.485 -3.419 1.00 0.00 O ATOM 848 CB VAL A 55 7.232 2.595 -2.485 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.171 1.283 -1.701 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.053 3.502 -2.130 1.00 0.00 C ATOM 0 H VAL A 55 7.716 4.807 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 55 8.687 3.400 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 55 7.161 2.354 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.214 0.794 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.980 0.628 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.275 1.490 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.118 2.969 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.117 3.788 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.082 4.396 -2.752 1.00 0.00 H new ATOM 860 N GLY A 56 10.947 3.057 -2.510 1.00 0.00 N ATOM 861 CA GLY A 56 12.176 2.419 -2.953 1.00 0.00 C ATOM 862 C GLY A 56 12.373 1.068 -2.262 1.00 0.00 C ATOM 863 O GLY A 56 11.681 0.755 -1.295 1.00 0.00 O ATOM 0 H GLY A 56 11.080 3.921 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.148 2.278 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.025 3.068 -2.738 1.00 0.00 H new ATOM 867 N LYS A 57 13.321 0.305 -2.784 1.00 0.00 N ATOM 868 CA LYS A 57 13.619 -1.004 -2.229 1.00 0.00 C ATOM 869 C LYS A 57 14.308 -0.834 -0.873 1.00 0.00 C ATOM 870 O LYS A 57 14.812 0.244 -0.560 1.00 0.00 O ATOM 871 CB LYS A 57 14.425 -1.839 -3.226 1.00 0.00 C ATOM 872 CG LYS A 57 14.042 -3.318 -3.138 1.00 0.00 C ATOM 873 CD LYS A 57 15.196 -4.211 -3.599 1.00 0.00 C ATOM 874 CE LYS A 57 16.459 -3.943 -2.777 1.00 0.00 C ATOM 875 NZ LYS A 57 16.933 -5.188 -2.133 1.00 0.00 N ATOM 0 H LYS A 57 13.893 0.568 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 57 12.698 -1.560 -2.053 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.249 -1.474 -4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.490 -1.723 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.772 -3.567 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.163 -3.507 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.911 -5.259 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.400 -4.032 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 57 17.240 -3.540 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.252 -3.190 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.790 -4.988 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.192 -5.557 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.150 -5.896 -2.863 1.00 0.00 H new ATOM 889 N ASP A 58 14.308 -1.913 -0.104 1.00 0.00 N ATOM 890 CA ASP A 58 14.926 -1.897 1.210 1.00 0.00 C ATOM 891 C ASP A 58 14.175 -0.913 2.110 1.00 0.00 C ATOM 892 O ASP A 58 14.597 -0.648 3.234 1.00 0.00 O ATOM 893 CB ASP A 58 16.384 -1.442 1.127 1.00 0.00 C ATOM 894 CG ASP A 58 16.981 -0.943 2.444 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.369 -1.740 3.312 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.044 0.339 2.564 1.00 0.00 O ATOM 0 H ASP A 58 13.889 -2.805 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 58 14.886 -2.909 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.988 -2.273 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.459 -0.646 0.387 1.00 0.00 H new ATOM 902 N ALA A 59 13.074 -0.399 1.581 1.00 0.00 N ATOM 903 CA ALA A 59 12.259 0.549 2.322 1.00 0.00 C ATOM 904 C ALA A 59 11.029 -0.168 2.880 1.00 0.00 C ATOM 905 O ALA A 59 10.409 -0.974 2.188 1.00 0.00 O ATOM 906 CB ALA A 59 11.888 1.724 1.414 1.00 0.00 C ATOM 0 H ALA A 59 12.727 -0.621 0.648 1.00 0.00 H new ATOM 0 HA ALA A 59 12.815 0.954 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.277 2.435 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.796 2.218 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.326 1.357 0.555 1.00 0.00 H new ATOM 912 N GLU A 60 10.712 0.150 4.127 1.00 0.00 N ATOM 913 CA GLU A 60 9.566 -0.454 4.785 1.00 0.00 C ATOM 914 C GLU A 60 8.346 0.462 4.674 1.00 0.00 C ATOM 915 O GLU A 60 8.388 1.614 5.106 1.00 0.00 O ATOM 916 CB GLU A 60 9.881 -0.773 6.249 1.00 0.00 C ATOM 917 CG GLU A 60 11.049 -1.755 6.356 1.00 0.00 C ATOM 918 CD GLU A 60 11.726 -1.655 7.725 1.00 0.00 C ATOM 919 OE1 GLU A 60 11.634 -2.591 8.533 1.00 0.00 O ATOM 920 OE2 GLU A 60 12.367 -0.555 7.936 1.00 0.00 O ATOM 0 H GLU A 60 11.229 0.818 4.699 1.00 0.00 H new ATOM 0 HA GLU A 60 9.336 -1.394 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.124 0.147 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.000 -1.196 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.690 -2.772 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.776 -1.548 5.571 1.00 0.00 H new ATOM 928 N ILE A 61 7.287 -0.083 4.093 1.00 0.00 N ATOM 929 CA ILE A 61 6.058 0.671 3.920 1.00 0.00 C ATOM 930 C ILE A 61 4.978 0.096 4.838 1.00 0.00 C ATOM 931 O ILE A 61 5.179 -0.945 5.461 1.00 0.00 O ATOM 932 CB ILE A 61 5.655 0.707 2.444 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.716 -0.691 1.824 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.505 1.715 1.668 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.598 -0.885 0.799 1.00 0.00 C ATOM 0 H ILE A 61 7.255 -1.038 3.736 1.00 0.00 H new ATOM 0 HA ILE A 61 6.205 1.711 4.212 1.00 0.00 H new ATOM 0 HB ILE A 61 4.620 1.042 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.684 -0.838 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.631 -1.444 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.198 1.721 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.367 2.710 2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.556 1.434 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.664 -1.886 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.631 -0.761 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.700 -0.146 0.005 1.00 0.00 H new ATOM 947 N THR A 62 3.857 0.798 4.892 1.00 0.00 N ATOM 948 CA THR A 62 2.745 0.370 5.724 1.00 0.00 C ATOM 949 C THR A 62 1.418 0.837 5.122 1.00 0.00 C ATOM 950 O THR A 62 1.383 1.803 4.361 1.00 0.00 O ATOM 951 CB THR A 62 2.987 0.891 7.141 1.00 0.00 C ATOM 952 OG1 THR A 62 4.194 0.251 7.545 1.00 0.00 O ATOM 953 CG2 THR A 62 1.943 0.381 8.139 1.00 0.00 C ATOM 0 H THR A 62 3.694 1.661 4.373 1.00 0.00 H new ATOM 0 HA THR A 62 2.680 -0.717 5.769 1.00 0.00 H new ATOM 0 HB THR A 62 2.980 1.981 7.133 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.426 0.534 8.454 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.161 0.780 9.129 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.951 0.707 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.973 -0.708 8.172 1.00 0.00 H new ATOM 961 N ILE A 63 0.357 0.131 5.488 1.00 0.00 N ATOM 962 CA ILE A 63 -0.969 0.461 4.993 1.00 0.00 C ATOM 963 C ILE A 63 -1.985 0.302 6.126 1.00 0.00 C ATOM 964 O ILE A 63 -1.964 -0.695 6.847 1.00 0.00 O ATOM 965 CB ILE A 63 -1.299 -0.366 3.749 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.591 -1.822 4.121 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.186 -0.254 2.705 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.971 -2.249 3.618 1.00 0.00 C ATOM 0 H ILE A 63 0.389 -0.668 6.121 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.008 1.502 4.673 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.205 0.040 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.827 -2.471 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.541 -1.942 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.446 -0.851 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.067 0.789 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.749 -0.620 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.154 -3.287 3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.734 -1.614 4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.009 -2.151 2.533 1.00 0.00 H new ATOM 980 N TYR A 64 -2.850 1.298 6.247 1.00 0.00 N ATOM 981 CA TYR A 64 -3.871 1.280 7.280 1.00 0.00 C ATOM 982 C TYR A 64 -5.245 0.962 6.686 1.00 0.00 C ATOM 983 O TYR A 64 -5.433 1.031 5.473 1.00 0.00 O ATOM 984 CB TYR A 64 -3.899 2.691 7.871 1.00 0.00 C ATOM 985 CG TYR A 64 -2.636 3.064 8.649 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.413 3.088 8.009 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.719 3.379 9.990 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.223 3.439 8.741 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.529 3.730 10.722 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.341 3.743 10.062 1.00 0.00 C ATOM 991 OH TYR A 64 0.782 4.075 10.753 1.00 0.00 O ATOM 0 H TYR A 64 -2.865 2.123 5.647 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.648 0.518 8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.042 3.409 7.064 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.761 2.780 8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.348 2.844 6.959 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.676 3.362 10.491 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.740 3.460 8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.580 3.977 11.772 1.00 0.00 H new ATOM 0 HH TYR A 64 1.386 3.304 10.785 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.172 0.620 7.570 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.523 0.291 7.149 1.00 0.00 C ATOM 1003 C ALA A 65 -8.490 0.548 8.305 1.00 0.00 C ATOM 1004 O ALA A 65 -8.270 0.076 9.420 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.567 -1.159 6.663 1.00 0.00 C ATOM 0 H ALA A 65 -6.013 0.564 8.576 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.830 0.924 6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.580 -1.406 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.885 -1.282 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.267 -1.824 7.473 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.540 1.297 8.001 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.542 1.622 9.002 1.00 0.00 C ATOM 1013 C ASP A 66 -11.937 1.445 8.398 1.00 0.00 C ATOM 1014 O ASP A 66 -12.478 2.370 7.794 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.408 3.075 9.463 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.942 3.360 10.868 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -11.072 4.524 11.278 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.233 2.313 11.563 1.00 0.00 O ATOM 0 H ASP A 66 -9.719 1.688 7.076 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.396 0.958 9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.356 3.356 9.427 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.933 3.715 8.754 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.478 0.250 8.582 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.799 -0.061 8.064 1.00 0.00 C ATOM 1026 C GLY A 67 -14.317 -1.382 8.637 1.00 0.00 C ATOM 1027 O GLY A 67 -13.937 -1.775 9.738 1.00 0.00 O ATOM 0 H GLY A 67 -12.025 -0.515 9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.490 0.744 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.762 -0.122 6.976 1.00 0.00 H new ATOM 1031 N SER A 68 -15.177 -2.030 7.864 1.00 0.00 N ATOM 1032 CA SER A 68 -15.750 -3.297 8.283 1.00 0.00 C ATOM 1033 C SER A 68 -14.926 -4.456 7.717 1.00 0.00 C ATOM 1034 O SER A 68 -14.965 -5.566 8.247 1.00 0.00 O ATOM 1035 CB SER A 68 -17.209 -3.416 7.836 1.00 0.00 C ATOM 1036 OG SER A 68 -17.865 -4.524 8.444 1.00 0.00 O ATOM 0 H SER A 68 -15.490 -1.701 6.951 1.00 0.00 H new ATOM 0 HA SER A 68 -15.727 -3.340 9.372 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.741 -2.498 8.086 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.248 -3.522 6.752 1.00 0.00 H new ATOM 0 HG SER A 68 -18.794 -4.564 8.134 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.202 -4.159 6.649 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.370 -5.162 6.006 1.00 0.00 C ATOM 1044 C ASP A 69 -11.901 -4.746 6.111 1.00 0.00 C ATOM 1045 O ASP A 69 -11.026 -5.392 5.538 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.718 -5.296 4.522 1.00 0.00 C ATOM 1047 CG ASP A 69 -15.089 -5.911 4.232 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -15.247 -7.140 4.207 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -16.035 -5.057 4.024 1.00 0.00 O ATOM 0 H ASP A 69 -14.174 -3.238 6.212 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.544 -6.115 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.675 -4.308 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.954 -5.905 4.039 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.677 -3.668 6.848 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.330 -3.156 7.036 1.00 0.00 C ATOM 1057 C GLU A 70 -9.318 -4.305 7.007 1.00 0.00 C ATOM 1058 O GLU A 70 -8.338 -4.253 6.265 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.222 -2.364 8.341 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.223 -2.875 9.378 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.914 -2.307 10.765 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -11.517 -1.303 11.173 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.011 -2.949 11.427 1.00 0.00 O ATOM 0 H GLU A 70 -12.406 -3.135 7.322 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.102 -2.475 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.210 -2.445 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.404 -1.307 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.234 -2.593 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.193 -3.964 9.412 1.00 0.00 H new ATOM 1071 N SER A 71 -9.591 -5.313 7.822 1.00 0.00 N ATOM 1072 CA SER A 71 -8.717 -6.471 7.899 1.00 0.00 C ATOM 1073 C SER A 71 -8.655 -7.170 6.539 1.00 0.00 C ATOM 1074 O SER A 71 -7.575 -7.520 6.065 1.00 0.00 O ATOM 1075 CB SER A 71 -9.189 -7.447 8.976 1.00 0.00 C ATOM 1076 OG SER A 71 -8.445 -7.312 10.184 1.00 0.00 O ATOM 0 H SER A 71 -10.405 -5.352 8.435 1.00 0.00 H new ATOM 0 HA SER A 71 -7.719 -6.129 8.171 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.246 -7.277 9.181 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.096 -8.468 8.606 1.00 0.00 H new ATOM 0 HG SER A 71 -8.600 -6.423 10.566 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.828 -7.353 5.949 1.00 0.00 N ATOM 1083 CA ASP A 72 -9.920 -8.004 4.654 1.00 0.00 C ATOM 1084 C ASP A 72 -9.141 -7.188 3.622 1.00 0.00 C ATOM 1085 O ASP A 72 -8.541 -7.750 2.705 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.374 -8.094 4.185 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.742 -9.392 3.466 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -11.508 -9.542 2.258 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -12.301 -10.287 4.208 1.00 0.00 O ATOM 0 H ASP A 72 -10.722 -7.062 6.345 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.509 -9.009 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.027 -7.978 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.577 -7.256 3.518 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.173 -5.877 3.803 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.477 -4.978 2.898 1.00 0.00 C ATOM 1097 C ALA A 73 -6.967 -5.126 3.101 1.00 0.00 C ATOM 1098 O ALA A 73 -6.201 -5.081 2.140 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.958 -3.544 3.131 1.00 0.00 C ATOM 0 H ALA A 73 -9.671 -5.415 4.564 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.698 -5.231 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.436 -2.870 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.031 -3.485 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.751 -3.254 4.161 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.585 -5.300 4.358 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.182 -5.455 4.699 1.00 0.00 C ATOM 1107 C ILE A 74 -4.710 -6.849 4.280 1.00 0.00 C ATOM 1108 O ILE A 74 -3.561 -7.025 3.880 1.00 0.00 O ATOM 1109 CB ILE A 74 -4.953 -5.149 6.181 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.052 -3.924 6.354 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.404 -6.373 6.915 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.659 -2.933 7.350 1.00 0.00 C ATOM 0 H ILE A 74 -7.224 -5.337 5.153 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.576 -4.734 4.151 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.915 -4.908 6.633 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.068 -4.238 6.702 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.908 -3.435 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.250 -6.128 7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.115 -7.195 6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.455 -6.669 6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.999 -2.072 7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.632 -2.602 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.779 -3.418 8.319 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.622 -7.804 4.385 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.315 -9.176 4.023 1.00 0.00 C ATOM 1126 C GLN A 75 -5.096 -9.290 2.513 1.00 0.00 C ATOM 1127 O GLN A 75 -4.323 -10.130 2.055 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.418 -10.128 4.490 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.153 -10.617 5.915 1.00 0.00 C ATOM 1130 CD GLN A 75 -5.563 -9.500 6.778 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -6.266 -8.749 7.434 1.00 0.00 O ATOM 1132 NE2 GLN A 75 -4.235 -9.430 6.739 1.00 0.00 N ATOM 0 H GLN A 75 -6.575 -7.654 4.716 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.393 -9.466 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.382 -9.621 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.477 -10.981 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.082 -10.973 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.467 -11.464 5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.706 -10.090 6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.746 -8.716 7.279 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.792 -8.432 1.780 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.684 -8.426 0.331 1.00 0.00 C ATOM 1143 C ALA A 76 -4.395 -7.709 -0.076 1.00 0.00 C ATOM 1144 O ALA A 76 -3.693 -8.154 -0.983 1.00 0.00 O ATOM 1145 CB ALA A 76 -6.930 -7.773 -0.271 1.00 0.00 C ATOM 0 H ALA A 76 -6.432 -7.737 2.163 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.631 -9.444 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.849 -7.768 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.815 -8.336 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.015 -6.748 0.091 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.122 -6.611 0.614 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.930 -5.829 0.334 1.00 0.00 C ATOM 1153 C ILE A 77 -1.707 -6.747 0.355 1.00 0.00 C ATOM 1154 O ILE A 77 -1.104 -7.007 -0.685 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.828 -4.646 1.300 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.419 -3.379 0.679 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.384 -4.438 1.761 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.766 -3.033 1.317 1.00 0.00 C ATOM 0 H ILE A 77 -4.706 -6.245 1.366 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.985 -5.393 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.419 -4.876 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.726 -2.548 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.547 -3.521 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.339 -3.592 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.031 -5.336 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.751 -4.238 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.164 -2.128 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.464 -3.856 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.631 -2.868 2.386 1.00 0.00 H new ATOM 1170 N SER A 78 -1.376 -7.213 1.551 1.00 0.00 N ATOM 1171 CA SER A 78 -0.235 -8.097 1.720 1.00 0.00 C ATOM 1172 C SER A 78 -0.183 -9.110 0.575 1.00 0.00 C ATOM 1173 O SER A 78 0.897 -9.501 0.135 1.00 0.00 O ATOM 1174 CB SER A 78 -0.294 -8.820 3.067 1.00 0.00 C ATOM 1175 OG SER A 78 0.909 -8.657 3.813 1.00 0.00 O ATOM 0 H SER A 78 -1.878 -6.995 2.412 1.00 0.00 H new ATOM 0 HA SER A 78 0.672 -7.492 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.135 -8.439 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.477 -9.882 2.901 1.00 0.00 H new ATOM 0 HG SER A 78 0.797 -7.930 4.460 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.365 -9.507 0.125 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.468 -10.468 -0.961 1.00 0.00 C ATOM 1183 C ASP A 79 -1.015 -9.808 -2.265 1.00 0.00 C ATOM 1184 O ASP A 79 -0.229 -10.384 -3.015 1.00 0.00 O ATOM 1185 CB ASP A 79 -2.912 -10.938 -1.146 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.077 -12.212 -1.973 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.078 -12.388 -2.683 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.109 -13.060 -1.868 1.00 0.00 O ATOM 0 H ASP A 79 -2.259 -9.181 0.492 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.839 -11.324 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.353 -11.102 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.480 -10.138 -1.621 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.531 -8.610 -2.495 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.189 -7.866 -3.695 1.00 0.00 C ATOM 1196 C VAL A 80 0.298 -7.510 -3.663 1.00 0.00 C ATOM 1197 O VAL A 80 0.972 -7.550 -4.692 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.094 -6.639 -3.826 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.689 -5.785 -5.030 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.565 -7.049 -3.915 1.00 0.00 C ATOM 0 H VAL A 80 -2.184 -8.136 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.359 -8.475 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.969 -6.034 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.348 -4.920 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.660 -5.448 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.771 -6.378 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.186 -6.158 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.713 -7.686 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.846 -7.595 -3.014 1.00 0.00 H new ATOM 1210 N LEU A 81 0.768 -7.170 -2.472 1.00 0.00 N ATOM 1211 CA LEU A 81 2.164 -6.808 -2.293 1.00 0.00 C ATOM 1212 C LEU A 81 3.046 -8.009 -2.640 1.00 0.00 C ATOM 1213 O LEU A 81 3.985 -7.888 -3.426 1.00 0.00 O ATOM 1214 CB LEU A 81 2.398 -6.258 -0.884 1.00 0.00 C ATOM 1215 CG LEU A 81 1.808 -4.876 -0.596 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.647 -4.651 0.908 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.643 -3.775 -1.254 1.00 0.00 C ATOM 0 H LEU A 81 0.207 -7.138 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 81 2.440 -6.003 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.983 -6.965 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.473 -6.217 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 81 0.812 -4.832 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.226 -3.661 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.980 -5.408 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.621 -4.723 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.202 -2.803 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.661 -3.808 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.662 -3.929 -2.333 1.00 0.00 H new ATOM 1229 N SER A 82 2.715 -9.140 -2.035 1.00 0.00 N ATOM 1230 CA SER A 82 3.466 -10.362 -2.270 1.00 0.00 C ATOM 1231 C SER A 82 3.123 -10.930 -3.649 1.00 0.00 C ATOM 1232 O SER A 82 3.953 -11.583 -4.279 1.00 0.00 O ATOM 1233 CB SER A 82 3.183 -11.399 -1.182 1.00 0.00 C ATOM 1234 OG SER A 82 3.994 -11.199 -0.028 1.00 0.00 O ATOM 0 H SER A 82 1.937 -9.236 -1.382 1.00 0.00 H new ATOM 0 HA SER A 82 4.529 -10.123 -2.238 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.132 -11.349 -0.899 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.359 -12.398 -1.580 1.00 0.00 H new ATOM 0 HG SER A 82 3.781 -11.880 0.643 1.00 0.00 H new ATOM 1240 N LYS A 83 1.898 -10.660 -4.076 1.00 0.00 N ATOM 1241 CA LYS A 83 1.436 -11.136 -5.368 1.00 0.00 C ATOM 1242 C LYS A 83 2.371 -10.619 -6.463 1.00 0.00 C ATOM 1243 O LYS A 83 2.720 -11.355 -7.385 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.031 -10.759 -5.585 1.00 0.00 C ATOM 1245 CG LYS A 83 -0.963 -11.802 -4.965 1.00 0.00 C ATOM 1246 CD LYS A 83 -1.851 -12.448 -6.031 1.00 0.00 C ATOM 1247 CE LYS A 83 -2.882 -13.382 -5.393 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.500 -14.248 -6.422 1.00 0.00 N ATOM 0 H LYS A 83 1.212 -10.118 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 83 1.471 -12.225 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.228 -9.782 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.234 -10.673 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.373 -12.570 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.586 -11.332 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.362 -11.673 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.234 -13.008 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.403 -13.997 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.652 -12.796 -4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.197 -14.876 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.974 -13.657 -7.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.764 -14.821 -6.882 1.00 0.00 H new ATOM 1262 N GLU A 84 2.750 -9.357 -6.324 1.00 0.00 N ATOM 1263 CA GLU A 84 3.639 -8.733 -7.291 1.00 0.00 C ATOM 1264 C GLU A 84 5.093 -9.108 -6.995 1.00 0.00 C ATOM 1265 O GLU A 84 5.840 -9.473 -7.901 1.00 0.00 O ATOM 1266 CB GLU A 84 3.456 -7.214 -7.302 1.00 0.00 C ATOM 1267 CG GLU A 84 1.992 -6.836 -7.067 1.00 0.00 C ATOM 1268 CD GLU A 84 1.470 -5.940 -8.192 1.00 0.00 C ATOM 1269 OE1 GLU A 84 0.544 -5.145 -7.973 1.00 0.00 O ATOM 1270 OE2 GLU A 84 2.062 -6.090 -9.328 1.00 0.00 O ATOM 0 H GLU A 84 2.459 -8.750 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 84 3.384 -9.105 -8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.080 -6.763 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.790 -6.811 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.385 -7.739 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.895 -6.320 -6.112 1.00 0.00 H new ATOM 1278 N GLY A 85 5.449 -9.005 -5.723 1.00 0.00 N ATOM 1279 CA GLY A 85 6.800 -9.329 -5.297 1.00 0.00 C ATOM 1280 C GLY A 85 7.561 -8.069 -4.881 1.00 0.00 C ATOM 1281 O GLY A 85 8.791 -8.042 -4.916 1.00 0.00 O ATOM 0 H GLY A 85 4.826 -8.702 -4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.764 -10.029 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.331 -9.828 -6.108 1.00 0.00 H new ATOM 1285 N LEU A 86 6.799 -7.055 -4.499 1.00 0.00 N ATOM 1286 CA LEU A 86 7.386 -5.794 -4.077 1.00 0.00 C ATOM 1287 C LEU A 86 7.920 -5.937 -2.650 1.00 0.00 C ATOM 1288 O LEU A 86 8.720 -5.120 -2.198 1.00 0.00 O ATOM 1289 CB LEU A 86 6.383 -4.653 -4.247 1.00 0.00 C ATOM 1290 CG LEU A 86 5.817 -4.462 -5.656 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.377 -3.946 -5.602 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.720 -3.552 -6.491 1.00 0.00 C ATOM 0 H LEU A 86 5.780 -7.081 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 86 8.235 -5.538 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.552 -4.822 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.864 -3.724 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 86 5.794 -5.433 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.998 -3.819 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.753 -4.663 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.353 -2.988 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.295 -3.433 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.798 -2.577 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.712 -3.997 -6.570 1.00 0.00 H new ATOM 1304 N THR A 87 7.454 -6.981 -1.980 1.00 0.00 N ATOM 1305 CA THR A 87 7.874 -7.241 -0.613 1.00 0.00 C ATOM 1306 C THR A 87 8.191 -8.726 -0.425 1.00 0.00 C ATOM 1307 O THR A 87 7.859 -9.548 -1.279 1.00 0.00 O ATOM 1308 CB THR A 87 6.777 -6.731 0.324 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.822 -7.788 0.348 1.00 0.00 O ATOM 1310 CG2 THR A 87 6.007 -5.547 -0.266 1.00 0.00 C ATOM 0 H THR A 87 6.790 -7.657 -2.358 1.00 0.00 H new ATOM 0 HA THR A 87 8.797 -6.711 -0.376 1.00 0.00 H new ATOM 0 HB THR A 87 7.220 -6.438 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.076 -7.542 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.241 -5.224 0.439 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.695 -4.724 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.536 -5.849 -1.201 1.00 0.00 H new ATOM 1318 N LYS A 88 8.830 -9.024 0.695 1.00 0.00 N ATOM 1319 CA LYS A 88 9.196 -10.397 1.006 1.00 0.00 C ATOM 1320 C LYS A 88 9.667 -11.094 -0.272 1.00 0.00 C ATOM 1321 O LYS A 88 10.392 -12.087 -0.209 1.00 0.00 O ATOM 1322 CB LYS A 88 8.041 -11.113 1.707 1.00 0.00 C ATOM 1323 CG LYS A 88 8.118 -10.921 3.224 1.00 0.00 C ATOM 1324 CD LYS A 88 8.382 -12.252 3.932 1.00 0.00 C ATOM 1325 CE LYS A 88 9.443 -12.092 5.022 1.00 0.00 C ATOM 1326 NZ LYS A 88 8.842 -11.525 6.251 1.00 0.00 N ATOM 0 H LYS A 88 9.104 -8.339 1.399 1.00 0.00 H new ATOM 0 HA LYS A 88 10.028 -10.421 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.091 -10.729 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.069 -12.176 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.911 -10.213 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.185 -10.490 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.457 -12.624 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.711 -12.995 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.894 -13.059 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.242 -11.441 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.576 -11.423 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.432 -10.593 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.095 -12.161 6.597 1.00 0.00 H new