USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Set 1.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -73:sc= 1.29 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.1 X(o=2.4,f=2.2) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 1:sc= 0.465 USER MOD Single : A 27 THR OG1 : rot -68:sc= 0.819 USER MOD Single : A 33 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 39 SER OG : rot 18:sc= 1.06 USER MOD Single : A 41 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.073) USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0.929 (180deg=0.921) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -8.914 -1.075 -9.738 1.00 0.00 N ATOM 51 CA LEU A 4 -8.675 -1.651 -8.391 1.00 0.00 C ATOM 52 C LEU A 4 -10.010 -1.848 -7.592 1.00 0.00 C ATOM 53 O LEU A 4 -10.945 -1.046 -7.677 1.00 0.00 O ATOM 54 CB LEU A 4 -7.748 -0.701 -7.568 1.00 0.00 C ATOM 55 CG LEU A 4 -6.332 -0.433 -8.122 1.00 0.00 C ATOM 56 CD1 LEU A 4 -5.610 0.585 -7.225 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.500 -1.712 -8.214 1.00 0.00 C ATOM 0 HA LEU A 4 -8.207 -2.625 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.256 0.258 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.644 -1.117 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.443 -0.035 -9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.611 0.772 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.174 1.518 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.533 0.188 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.512 -1.476 -8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.399 -2.152 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.995 -2.421 -8.877 1.00 0.00 H new ATOM 69 N THR A 5 -10.043 -2.882 -6.741 1.00 0.00 N ATOM 70 CA THR A 5 -11.125 -3.038 -5.723 1.00 0.00 C ATOM 71 C THR A 5 -10.991 -1.988 -4.562 1.00 0.00 C ATOM 72 O THR A 5 -9.877 -1.605 -4.201 1.00 0.00 O ATOM 73 CB THR A 5 -11.176 -4.478 -5.115 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.998 -4.802 -4.381 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.396 -5.599 -6.124 1.00 0.00 C ATOM 0 H THR A 5 -9.345 -3.625 -6.726 1.00 0.00 H new ATOM 0 HA THR A 5 -12.058 -2.860 -6.259 1.00 0.00 H new ATOM 0 HB THR A 5 -12.047 -4.427 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.256 -4.954 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.416 -6.557 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.345 -5.445 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.585 -5.598 -6.852 1.00 0.00 H new ATOM 83 N ALA A 6 -12.108 -1.540 -3.970 1.00 0.00 N ATOM 84 CA ALA A 6 -12.095 -0.464 -2.933 1.00 0.00 C ATOM 85 C ALA A 6 -11.119 -0.598 -1.710 1.00 0.00 C ATOM 86 O ALA A 6 -10.495 0.394 -1.330 1.00 0.00 O ATOM 87 CB ALA A 6 -13.551 -0.281 -2.480 1.00 0.00 C ATOM 0 H ALA A 6 -13.039 -1.898 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.667 0.413 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.600 0.497 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.164 0.007 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.924 -1.218 -2.066 1.00 0.00 H new ATOM 93 N ARG A 7 -10.949 -1.805 -1.149 1.00 0.00 N ATOM 94 CA ARG A 7 -9.903 -2.075 -0.119 1.00 0.00 C ATOM 95 C ARG A 7 -8.421 -1.985 -0.635 1.00 0.00 C ATOM 96 O ARG A 7 -7.619 -1.296 -0.003 1.00 0.00 O ATOM 97 CB ARG A 7 -10.250 -3.430 0.537 1.00 0.00 C ATOM 98 CG ARG A 7 -9.631 -3.682 1.925 1.00 0.00 C ATOM 99 CD ARG A 7 -10.280 -2.867 3.053 1.00 0.00 C ATOM 100 NE ARG A 7 -9.737 -3.357 4.339 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.065 -2.909 5.540 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.933 -1.967 5.765 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.473 -3.433 6.557 1.00 0.00 N ATOM 0 H ARG A 7 -11.518 -2.619 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.925 -1.277 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.334 -3.502 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.931 -4.229 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.714 -4.743 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.567 -3.447 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.066 -1.805 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.364 -2.979 3.029 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.048 -4.108 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.414 -1.520 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.133 -1.676 6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.778 -4.167 6.420 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.699 -3.114 7.499 1.00 0.00 H new ATOM 116 N GLN A 8 -8.074 -2.593 -1.788 1.00 0.00 N ATOM 117 CA GLN A 8 -6.804 -2.289 -2.510 1.00 0.00 C ATOM 118 C GLN A 8 -6.566 -0.755 -2.862 1.00 0.00 C ATOM 119 O GLN A 8 -5.468 -0.245 -2.652 1.00 0.00 O ATOM 120 CB GLN A 8 -6.757 -3.055 -3.863 1.00 0.00 C ATOM 121 CG GLN A 8 -6.721 -4.588 -3.809 1.00 0.00 C ATOM 122 CD GLN A 8 -6.741 -5.198 -5.206 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.792 -5.356 -5.818 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.607 -5.513 -5.775 1.00 0.00 N ATOM 0 H GLN A 8 -8.651 -3.299 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.029 -2.598 -1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.629 -2.760 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.877 -2.717 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.824 -4.913 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.576 -4.953 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.730 -5.384 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.599 -5.888 -6.723 1.00 0.00 H new ATOM 133 N GLN A 9 -7.585 -0.065 -3.391 1.00 0.00 N ATOM 134 CA GLN A 9 -7.546 1.392 -3.690 1.00 0.00 C ATOM 135 C GLN A 9 -7.259 2.333 -2.463 1.00 0.00 C ATOM 136 O GLN A 9 -6.440 3.249 -2.574 1.00 0.00 O ATOM 137 CB GLN A 9 -8.868 1.736 -4.425 1.00 0.00 C ATOM 138 CG GLN A 9 -8.763 2.773 -5.562 1.00 0.00 C ATOM 139 CD GLN A 9 -8.371 4.180 -5.172 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.007 4.822 -4.347 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.314 4.711 -5.731 1.00 0.00 N ATOM 0 H GLN A 9 -8.476 -0.499 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.680 1.590 -4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.281 0.815 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.583 2.104 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.037 2.408 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.726 2.818 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.780 4.180 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.024 5.656 -5.478 1.00 0.00 H new ATOM 150 N GLU A 10 -7.861 2.070 -1.294 1.00 0.00 N ATOM 151 CA GLU A 10 -7.438 2.689 -0.012 1.00 0.00 C ATOM 152 C GLU A 10 -5.985 2.334 0.487 1.00 0.00 C ATOM 153 O GLU A 10 -5.292 3.241 0.949 1.00 0.00 O ATOM 154 CB GLU A 10 -8.480 2.375 1.089 1.00 0.00 C ATOM 155 CG GLU A 10 -9.852 3.048 0.870 1.00 0.00 C ATOM 156 CD GLU A 10 -10.752 2.983 2.091 1.00 0.00 C ATOM 157 OE1 GLU A 10 -10.677 3.766 3.033 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.637 1.952 2.036 1.00 0.00 O ATOM 0 H GLU A 10 -8.649 1.429 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.392 3.758 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.621 1.296 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.081 2.693 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.698 4.092 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.355 2.568 0.030 1.00 0.00 H new ATOM 166 N VAL A 11 -5.511 1.083 0.357 1.00 0.00 N ATOM 167 CA VAL A 11 -4.060 0.731 0.563 1.00 0.00 C ATOM 168 C VAL A 11 -3.076 1.489 -0.418 1.00 0.00 C ATOM 169 O VAL A 11 -2.067 2.021 0.047 1.00 0.00 O ATOM 170 CB VAL A 11 -3.872 -0.825 0.544 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.404 -1.288 0.713 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.653 -1.537 1.676 1.00 0.00 C ATOM 0 H VAL A 11 -6.097 0.285 0.111 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.776 1.091 1.552 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.247 -1.096 -0.443 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.361 -2.377 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.799 -0.883 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.017 -0.931 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.485 -2.612 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.306 -1.172 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.718 -1.329 1.570 1.00 0.00 H new ATOM 182 N PHE A 12 -3.390 1.583 -1.720 1.00 0.00 N ATOM 183 CA PHE A 12 -2.717 2.524 -2.668 1.00 0.00 C ATOM 184 C PHE A 12 -2.706 4.038 -2.245 1.00 0.00 C ATOM 185 O PHE A 12 -1.646 4.667 -2.279 1.00 0.00 O ATOM 186 CB PHE A 12 -3.381 2.275 -4.050 1.00 0.00 C ATOM 187 CG PHE A 12 -2.755 3.035 -5.227 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.599 2.552 -5.858 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.306 4.251 -5.665 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.995 3.276 -6.888 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.706 4.971 -6.699 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.552 4.482 -7.307 1.00 0.00 C ATOM 0 H PHE A 12 -4.115 1.015 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.648 2.311 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.341 1.207 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.434 2.547 -3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.172 1.611 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.202 4.632 -5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.098 2.902 -7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.136 5.906 -7.027 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.087 5.040 -8.106 1.00 0.00 H new ATOM 202 N ASP A 13 -3.854 4.595 -1.829 1.00 0.00 N ATOM 203 CA ASP A 13 -3.915 5.951 -1.215 1.00 0.00 C ATOM 204 C ASP A 13 -3.090 6.147 0.106 1.00 0.00 C ATOM 205 O ASP A 13 -2.450 7.188 0.230 1.00 0.00 O ATOM 206 CB ASP A 13 -5.390 6.362 -1.007 1.00 0.00 C ATOM 207 CG ASP A 13 -6.055 6.899 -2.262 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.158 8.096 -2.501 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.502 5.911 -3.085 1.00 0.00 O ATOM 0 H ASP A 13 -4.761 4.134 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.423 6.610 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.952 5.499 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.440 7.121 -0.226 1.00 0.00 H new ATOM 215 N LEU A 14 -3.040 5.180 1.033 1.00 0.00 N ATOM 216 CA LEU A 14 -2.065 5.196 2.165 1.00 0.00 C ATOM 217 C LEU A 14 -0.536 5.257 1.799 1.00 0.00 C ATOM 218 O LEU A 14 0.224 5.863 2.556 1.00 0.00 O ATOM 219 CB LEU A 14 -2.352 3.985 3.091 1.00 0.00 C ATOM 220 CG LEU A 14 -3.583 4.156 4.009 1.00 0.00 C ATOM 221 CD1 LEU A 14 -4.030 2.797 4.565 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.276 5.089 5.188 1.00 0.00 C ATOM 0 H LEU A 14 -3.659 4.370 1.033 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.235 6.150 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.496 3.098 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.475 3.803 3.712 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.378 4.593 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.898 2.935 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.293 2.135 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.217 2.354 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.163 5.188 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.460 4.673 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.987 6.070 4.810 1.00 0.00 H new ATOM 234 N ILE A 15 -0.097 4.713 0.652 1.00 0.00 N ATOM 235 CA ILE A 15 1.254 5.018 0.077 1.00 0.00 C ATOM 236 C ILE A 15 1.467 6.559 -0.221 1.00 0.00 C ATOM 237 O ILE A 15 2.453 7.135 0.237 1.00 0.00 O ATOM 238 CB ILE A 15 1.600 4.145 -1.179 1.00 0.00 C ATOM 239 CG1 ILE A 15 1.214 2.644 -1.126 1.00 0.00 C ATOM 240 CG2 ILE A 15 3.098 4.258 -1.570 1.00 0.00 C ATOM 241 CD1 ILE A 15 1.693 1.843 0.078 1.00 0.00 C ATOM 0 H ILE A 15 -0.646 4.059 0.094 1.00 0.00 H new ATOM 0 HA ILE A 15 1.960 4.743 0.860 1.00 0.00 H new ATOM 0 HB ILE A 15 0.955 4.586 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.127 2.573 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.599 2.164 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.294 3.638 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.336 5.296 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.717 3.920 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.353 0.811 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.782 1.864 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.287 2.280 0.990 1.00 0.00 H new ATOM 253 N ARG A 16 0.530 7.198 -0.933 1.00 0.00 N ATOM 254 CA ARG A 16 0.525 8.674 -1.140 1.00 0.00 C ATOM 255 C ARG A 16 0.315 9.548 0.149 1.00 0.00 C ATOM 256 O ARG A 16 1.057 10.511 0.347 1.00 0.00 O ATOM 257 CB ARG A 16 -0.536 9.020 -2.221 1.00 0.00 C ATOM 258 CG ARG A 16 -0.153 8.519 -3.628 1.00 0.00 C ATOM 259 CD ARG A 16 -1.206 8.783 -4.710 1.00 0.00 C ATOM 260 NE ARG A 16 -1.481 10.214 -4.976 1.00 0.00 N ATOM 261 CZ ARG A 16 -0.693 11.060 -5.621 1.00 0.00 C ATOM 262 NH1 ARG A 16 0.472 10.756 -6.108 1.00 0.00 N ATOM 263 NH2 ARG A 16 -1.109 12.270 -5.766 1.00 0.00 N ATOM 0 H ARG A 16 -0.249 6.719 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 16 1.532 8.936 -1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.493 8.584 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.675 10.101 -2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.782 8.994 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.036 7.447 -3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.879 8.312 -5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.137 8.297 -4.417 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.365 10.584 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.837 9.809 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.022 11.464 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.016 12.546 -5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.531 12.952 -6.257 1.00 0.00 H new ATOM 276 N ASP A 17 -0.656 9.212 1.007 1.00 0.00 N ATOM 277 CA ASP A 17 -0.913 9.926 2.283 1.00 0.00 C ATOM 278 C ASP A 17 0.220 9.861 3.359 1.00 0.00 C ATOM 279 O ASP A 17 0.500 10.903 3.950 1.00 0.00 O ATOM 280 CB ASP A 17 -2.265 9.437 2.861 1.00 0.00 C ATOM 281 CG ASP A 17 -3.474 10.100 2.221 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.749 11.285 2.367 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.216 9.240 1.474 1.00 0.00 O ATOM 0 H ASP A 17 -1.294 8.434 0.843 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.945 10.985 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.339 8.358 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.282 9.627 3.934 1.00 0.00 H new ATOM 289 N HIS A 18 0.879 8.717 3.607 1.00 0.00 N ATOM 290 CA HIS A 18 2.088 8.679 4.494 1.00 0.00 C ATOM 291 C HIS A 18 3.356 9.441 3.940 1.00 0.00 C ATOM 292 O HIS A 18 4.054 10.093 4.718 1.00 0.00 O ATOM 293 CB HIS A 18 2.398 7.211 4.866 1.00 0.00 C ATOM 294 CG HIS A 18 2.828 7.013 6.335 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.073 6.257 7.224 1.00 0.00 N ATOM 296 CD2 HIS A 18 3.960 7.549 6.995 1.00 0.00 C ATOM 297 CE1 HIS A 18 2.823 6.420 8.358 1.00 0.00 C ATOM 298 NE2 HIS A 18 3.966 7.164 8.316 1.00 0.00 N ATOM 0 H HIS A 18 0.613 7.812 3.220 1.00 0.00 H new ATOM 0 HA HIS A 18 1.836 9.244 5.391 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.514 6.603 4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.189 6.841 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.710 8.170 6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.510 5.960 9.284 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.636 7.375 9.055 1.00 0.00 H new ATOM 306 N ILE A 19 3.603 9.419 2.619 1.00 0.00 N ATOM 307 CA ILE A 19 4.557 10.360 1.942 1.00 0.00 C ATOM 308 C ILE A 19 4.159 11.881 2.113 1.00 0.00 C ATOM 309 O ILE A 19 4.996 12.671 2.548 1.00 0.00 O ATOM 310 CB ILE A 19 4.723 9.932 0.437 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.390 8.538 0.243 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.448 10.960 -0.465 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.864 8.410 0.611 1.00 0.00 C ATOM 0 H ILE A 19 3.158 8.759 1.981 1.00 0.00 H new ATOM 0 HA ILE A 19 5.526 10.282 2.435 1.00 0.00 H new ATOM 0 HB ILE A 19 3.685 9.878 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.831 7.812 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.278 8.253 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.512 10.571 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.891 11.897 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.453 11.137 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.198 7.389 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.452 9.099 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.998 8.651 1.666 1.00 0.00 H new ATOM 325 N SER A 20 2.924 12.284 1.773 1.00 0.00 N ATOM 326 CA SER A 20 2.487 13.703 1.862 1.00 0.00 C ATOM 327 C SER A 20 2.238 14.300 3.290 1.00 0.00 C ATOM 328 O SER A 20 2.511 15.485 3.485 1.00 0.00 O ATOM 329 CB SER A 20 1.221 13.858 0.982 1.00 0.00 C ATOM 330 OG SER A 20 0.859 15.232 0.833 1.00 0.00 O ATOM 0 H SER A 20 2.201 11.650 1.431 1.00 0.00 H new ATOM 0 HA SER A 20 3.335 14.291 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.401 13.418 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.394 13.308 1.431 1.00 0.00 H new ATOM 0 HG SER A 20 0.058 15.300 0.272 1.00 0.00 H new ATOM 336 N GLN A 21 1.691 13.535 4.240 1.00 0.00 N ATOM 337 CA GLN A 21 1.490 13.996 5.646 1.00 0.00 C ATOM 338 C GLN A 21 2.657 13.670 6.667 1.00 0.00 C ATOM 339 O GLN A 21 2.533 13.996 7.850 1.00 0.00 O ATOM 340 CB GLN A 21 0.156 13.379 6.167 1.00 0.00 C ATOM 341 CG GLN A 21 -1.119 13.907 5.466 1.00 0.00 C ATOM 342 CD GLN A 21 -2.400 13.299 6.016 1.00 0.00 C ATOM 343 OE1 GLN A 21 -2.830 13.578 7.128 1.00 0.00 O ATOM 344 NE2 GLN A 21 -3.082 12.468 5.269 1.00 0.00 N ATOM 0 H GLN A 21 1.372 12.581 4.072 1.00 0.00 H new ATOM 0 HA GLN A 21 1.471 15.085 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.200 12.297 6.044 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.074 13.575 7.236 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.163 14.991 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.053 13.696 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.742 12.222 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.953 12.067 5.617 1.00 0.00 H new ATOM 353 N THR A 22 3.757 13.035 6.246 1.00 0.00 N ATOM 354 CA THR A 22 4.927 12.723 7.126 1.00 0.00 C ATOM 355 C THR A 22 6.263 12.698 6.306 1.00 0.00 C ATOM 356 O THR A 22 7.195 13.423 6.660 1.00 0.00 O ATOM 357 CB THR A 22 4.670 11.422 7.945 1.00 0.00 C ATOM 358 OG1 THR A 22 3.544 11.600 8.801 1.00 0.00 O ATOM 359 CG2 THR A 22 5.801 11.003 8.877 1.00 0.00 C ATOM 0 H THR A 22 3.877 12.715 5.285 1.00 0.00 H new ATOM 0 HA THR A 22 5.045 13.524 7.856 1.00 0.00 H new ATOM 0 HB THR A 22 4.539 10.658 7.179 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.170 12.496 8.667 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.522 10.088 9.399 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.706 10.827 8.295 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.985 11.794 9.604 1.00 0.00 H new ATOM 367 N GLY A 23 6.368 11.858 5.266 1.00 0.00 N ATOM 368 CA GLY A 23 7.615 11.704 4.469 1.00 0.00 C ATOM 369 C GLY A 23 8.025 10.271 4.053 1.00 0.00 C ATOM 370 O GLY A 23 8.696 10.105 3.035 1.00 0.00 O ATOM 0 H GLY A 23 5.602 11.265 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.511 12.300 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.436 12.136 5.042 1.00 0.00 H new ATOM 374 N MET A 24 7.673 9.266 4.857 1.00 0.00 N ATOM 375 CA MET A 24 8.075 7.852 4.658 1.00 0.00 C ATOM 376 C MET A 24 6.926 6.930 4.117 1.00 0.00 C ATOM 377 O MET A 24 5.773 7.130 4.509 1.00 0.00 O ATOM 378 CB MET A 24 8.676 7.329 5.994 1.00 0.00 C ATOM 379 CG MET A 24 7.735 7.261 7.207 1.00 0.00 C ATOM 380 SD MET A 24 8.683 6.832 8.676 1.00 0.00 S ATOM 381 CE MET A 24 7.359 6.893 9.893 1.00 0.00 C ATOM 0 H MET A 24 7.090 9.403 5.683 1.00 0.00 H new ATOM 0 HA MET A 24 8.826 7.816 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.073 6.329 5.818 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.521 7.966 6.257 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.237 8.220 7.349 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.955 6.520 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.759 6.652 10.878 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.928 7.894 9.911 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.587 6.170 9.628 1.00 0.00 H new ATOM 391 N PRO A 25 7.160 5.900 3.258 1.00 0.00 N ATOM 392 CA PRO A 25 6.070 4.962 2.821 1.00 0.00 C ATOM 393 C PRO A 25 5.701 3.866 3.879 1.00 0.00 C ATOM 394 O PRO A 25 6.588 3.433 4.621 1.00 0.00 O ATOM 395 CB PRO A 25 6.663 4.397 1.509 1.00 0.00 C ATOM 396 CG PRO A 25 8.190 4.402 1.736 1.00 0.00 C ATOM 397 CD PRO A 25 8.462 5.627 2.620 1.00 0.00 C ATOM 0 HA PRO A 25 5.104 5.449 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.295 3.390 1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.388 5.013 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.519 3.484 2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.728 4.471 0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.235 5.421 3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.804 6.477 2.030 1.00 0.00 H new ATOM 405 N PRO A 26 4.436 3.388 4.016 1.00 0.00 N ATOM 406 CA PRO A 26 3.996 2.662 5.255 1.00 0.00 C ATOM 407 C PRO A 26 4.352 1.152 5.338 1.00 0.00 C ATOM 408 O PRO A 26 4.306 0.403 4.359 1.00 0.00 O ATOM 409 CB PRO A 26 2.456 2.898 5.219 1.00 0.00 C ATOM 410 CG PRO A 26 2.127 2.965 3.711 1.00 0.00 C ATOM 411 CD PRO A 26 3.312 3.749 3.128 1.00 0.00 C ATOM 0 HA PRO A 26 4.514 3.037 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.916 2.089 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.181 3.821 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.047 1.971 3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.180 3.472 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.511 3.466 2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.125 4.823 3.134 1.00 0.00 H new ATOM 419 N THR A 27 4.613 0.694 6.566 1.00 0.00 N ATOM 420 CA THR A 27 4.665 -0.758 6.896 1.00 0.00 C ATOM 421 C THR A 27 3.243 -1.439 6.943 1.00 0.00 C ATOM 422 O THR A 27 2.220 -0.782 7.148 1.00 0.00 O ATOM 423 CB THR A 27 5.367 -1.007 8.281 1.00 0.00 C ATOM 424 OG1 THR A 27 4.657 -0.400 9.359 1.00 0.00 O ATOM 425 CG2 THR A 27 6.805 -0.526 8.387 1.00 0.00 C ATOM 0 H THR A 27 4.795 1.304 7.363 1.00 0.00 H new ATOM 0 HA THR A 27 5.240 -1.209 6.087 1.00 0.00 H new ATOM 0 HB THR A 27 5.365 -2.095 8.348 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.718 0.575 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.190 -0.748 9.382 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.415 -1.034 7.640 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.842 0.550 8.215 1.00 0.00 H new ATOM 433 N ARG A 28 3.202 -2.770 6.858 1.00 0.00 N ATOM 434 CA ARG A 28 1.960 -3.576 7.063 1.00 0.00 C ATOM 435 C ARG A 28 1.216 -3.392 8.442 1.00 0.00 C ATOM 436 O ARG A 28 -0.015 -3.413 8.466 1.00 0.00 O ATOM 437 CB ARG A 28 2.341 -5.059 6.843 1.00 0.00 C ATOM 438 CG ARG A 28 2.500 -5.551 5.392 1.00 0.00 C ATOM 439 CD ARG A 28 3.410 -4.785 4.429 1.00 0.00 C ATOM 440 NE ARG A 28 4.818 -4.770 4.887 1.00 0.00 N ATOM 441 CZ ARG A 28 5.744 -3.907 4.502 1.00 0.00 C ATOM 442 NH1 ARG A 28 5.544 -2.917 3.684 1.00 0.00 N ATOM 443 NH2 ARG A 28 6.926 -4.051 4.986 1.00 0.00 N ATOM 0 H ARG A 28 4.023 -3.337 6.645 1.00 0.00 H new ATOM 0 HA ARG A 28 1.227 -3.210 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.280 -5.245 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.582 -5.675 7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.861 -6.579 5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.505 -5.580 4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.356 -5.240 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.051 -3.761 4.329 1.00 0.00 H new ATOM 0 HE ARG A 28 5.098 -5.486 5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.617 -2.762 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.314 -2.295 3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.120 -4.809 5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.670 -3.407 4.716 1.00 0.00 H new ATOM 456 N ALA A 29 1.944 -3.166 9.548 1.00 0.00 N ATOM 457 CA ALA A 29 1.352 -2.636 10.804 1.00 0.00 C ATOM 458 C ALA A 29 0.772 -1.175 10.763 1.00 0.00 C ATOM 459 O ALA A 29 -0.243 -0.919 11.411 1.00 0.00 O ATOM 460 CB ALA A 29 2.440 -2.773 11.881 1.00 0.00 C ATOM 0 H ALA A 29 2.947 -3.340 9.605 1.00 0.00 H new ATOM 0 HA ALA A 29 0.457 -3.223 11.011 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.061 -2.397 12.831 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.715 -3.822 11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.317 -2.197 11.587 1.00 0.00 H new ATOM 466 N GLU A 30 1.385 -0.239 10.024 1.00 0.00 N ATOM 467 CA GLU A 30 0.782 1.102 9.738 1.00 0.00 C ATOM 468 C GLU A 30 -0.476 1.079 8.793 1.00 0.00 C ATOM 469 O GLU A 30 -1.462 1.751 9.098 1.00 0.00 O ATOM 470 CB GLU A 30 1.893 2.052 9.208 1.00 0.00 C ATOM 471 CG GLU A 30 2.926 2.428 10.293 1.00 0.00 C ATOM 472 CD GLU A 30 4.148 3.186 9.813 1.00 0.00 C ATOM 473 OE1 GLU A 30 4.443 4.309 10.199 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.933 2.443 8.982 1.00 0.00 O ATOM 0 H GLU A 30 2.305 -0.373 9.604 1.00 0.00 H new ATOM 0 HA GLU A 30 0.383 1.477 10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.407 1.574 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.433 2.961 8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.424 3.030 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.260 1.513 10.782 1.00 0.00 H new ATOM 482 N ILE A 31 -0.477 0.259 7.727 1.00 0.00 N ATOM 483 CA ILE A 31 -1.722 -0.126 6.980 1.00 0.00 C ATOM 484 C ILE A 31 -2.860 -0.738 7.898 1.00 0.00 C ATOM 485 O ILE A 31 -4.011 -0.309 7.793 1.00 0.00 O ATOM 486 CB ILE A 31 -1.344 -1.069 5.781 1.00 0.00 C ATOM 487 CG1 ILE A 31 -0.359 -0.463 4.739 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.566 -1.631 5.014 1.00 0.00 C ATOM 489 CD1 ILE A 31 -0.816 0.798 4.011 1.00 0.00 C ATOM 0 H ILE A 31 0.372 -0.162 7.349 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.163 0.790 6.587 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.831 -1.878 6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.579 -0.240 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.143 -1.227 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.223 -2.272 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.188 -2.211 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.149 -0.806 4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.041 1.117 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.734 0.588 3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.001 1.590 4.736 1.00 0.00 H new ATOM 501 N ALA A 32 -2.535 -1.692 8.786 1.00 0.00 N ATOM 502 CA ALA A 32 -3.475 -2.190 9.821 1.00 0.00 C ATOM 503 C ALA A 32 -4.072 -1.173 10.850 1.00 0.00 C ATOM 504 O ALA A 32 -5.238 -1.324 11.220 1.00 0.00 O ATOM 505 CB ALA A 32 -2.766 -3.356 10.529 1.00 0.00 C ATOM 0 H ALA A 32 -1.620 -2.142 8.812 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.380 -2.478 9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.417 -3.761 11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.536 -4.136 9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.841 -2.998 10.982 1.00 0.00 H new ATOM 511 N GLN A 33 -3.306 -0.165 11.284 1.00 0.00 N ATOM 512 CA GLN A 33 -3.800 0.902 12.195 1.00 0.00 C ATOM 513 C GLN A 33 -4.868 1.885 11.601 1.00 0.00 C ATOM 514 O GLN A 33 -5.825 2.196 12.312 1.00 0.00 O ATOM 515 CB GLN A 33 -2.573 1.688 12.740 1.00 0.00 C ATOM 516 CG GLN A 33 -1.767 0.913 13.809 1.00 0.00 C ATOM 517 CD GLN A 33 -0.447 1.569 14.175 1.00 0.00 C ATOM 518 OE1 GLN A 33 -0.361 2.456 15.014 1.00 0.00 O ATOM 519 NE2 GLN A 33 0.638 1.154 13.574 1.00 0.00 N ATOM 0 H GLN A 33 -2.327 -0.056 11.020 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.344 0.389 12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.913 1.937 11.909 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.916 2.630 13.168 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.375 0.814 14.708 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.572 -0.095 13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.582 0.416 12.873 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.540 1.569 13.807 1.00 0.00 H new ATOM 528 N ARG A 34 -4.723 2.372 10.355 1.00 0.00 N ATOM 529 CA ARG A 34 -5.758 3.249 9.721 1.00 0.00 C ATOM 530 C ARG A 34 -7.008 2.472 9.190 1.00 0.00 C ATOM 531 O ARG A 34 -8.129 2.797 9.587 1.00 0.00 O ATOM 532 CB ARG A 34 -5.070 4.140 8.657 1.00 0.00 C ATOM 533 CG ARG A 34 -5.756 5.495 8.372 1.00 0.00 C ATOM 534 CD ARG A 34 -7.080 5.478 7.602 1.00 0.00 C ATOM 535 NE ARG A 34 -6.884 5.099 6.184 1.00 0.00 N ATOM 536 CZ ARG A 34 -7.848 4.833 5.320 1.00 0.00 C ATOM 537 NH1 ARG A 34 -9.117 4.831 5.604 1.00 0.00 N ATOM 538 NH2 ARG A 34 -7.503 4.563 4.109 1.00 0.00 N ATOM 0 H ARG A 34 -3.914 2.183 9.763 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.186 3.894 10.488 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.046 4.332 8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.011 3.580 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.931 5.989 9.328 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.053 6.116 7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.767 4.776 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.544 6.463 7.655 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.924 5.038 5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.428 5.046 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.801 4.615 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.517 4.560 3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.216 4.352 3.411 1.00 0.00 H new ATOM 551 N LEU A 35 -6.834 1.465 8.322 1.00 0.00 N ATOM 552 CA LEU A 35 -7.972 0.671 7.776 1.00 0.00 C ATOM 553 C LEU A 35 -8.673 -0.368 8.720 1.00 0.00 C ATOM 554 O LEU A 35 -9.804 -0.767 8.426 1.00 0.00 O ATOM 555 CB LEU A 35 -7.478 -0.039 6.479 1.00 0.00 C ATOM 556 CG LEU A 35 -7.492 0.853 5.219 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.696 0.188 4.089 1.00 0.00 C ATOM 558 CD2 LEU A 35 -8.923 1.094 4.723 1.00 0.00 C ATOM 0 H LEU A 35 -5.920 1.172 7.976 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.763 1.402 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.463 -0.401 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.103 -0.913 6.297 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.040 1.807 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.714 0.827 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.665 0.040 4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.143 -0.776 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.899 1.725 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.388 0.140 4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.500 1.589 5.504 1.00 0.00 H new ATOM 570 N GLY A 36 -8.024 -0.825 9.797 1.00 0.00 N ATOM 571 CA GLY A 36 -8.580 -1.876 10.679 1.00 0.00 C ATOM 572 C GLY A 36 -8.406 -3.323 10.189 1.00 0.00 C ATOM 573 O GLY A 36 -9.388 -4.050 10.041 1.00 0.00 O ATOM 0 H GLY A 36 -7.107 -0.485 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.112 -1.786 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.644 -1.684 10.815 1.00 0.00 H new ATOM 577 N PHE A 37 -7.154 -3.744 9.988 1.00 0.00 N ATOM 578 CA PHE A 37 -6.824 -5.159 9.698 1.00 0.00 C ATOM 579 C PHE A 37 -6.422 -5.876 11.030 1.00 0.00 C ATOM 580 O PHE A 37 -5.511 -5.428 11.732 1.00 0.00 O ATOM 581 CB PHE A 37 -5.657 -5.265 8.683 1.00 0.00 C ATOM 582 CG PHE A 37 -5.987 -4.864 7.240 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.585 -5.798 6.383 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.656 -3.598 6.727 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.824 -5.487 5.045 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.890 -3.292 5.385 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.466 -4.237 4.546 1.00 0.00 C ATOM 0 H PHE A 37 -6.342 -3.128 10.019 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.701 -5.637 9.261 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.837 -4.639 9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.295 -6.293 8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.864 -6.770 6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.217 -2.855 7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.287 -6.215 4.396 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.623 -2.319 4.999 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.636 -4.002 3.506 1.00 0.00 H new ATOM 597 N ARG A 38 -7.068 -7.009 11.341 1.00 0.00 N ATOM 598 CA ARG A 38 -6.775 -7.791 12.584 1.00 0.00 C ATOM 599 C ARG A 38 -5.300 -8.238 12.873 1.00 0.00 C ATOM 600 O ARG A 38 -4.929 -8.412 14.036 1.00 0.00 O ATOM 601 CB ARG A 38 -7.803 -8.945 12.705 1.00 0.00 C ATOM 602 CG ARG A 38 -7.760 -10.100 11.688 1.00 0.00 C ATOM 603 CD ARG A 38 -6.776 -11.221 12.040 1.00 0.00 C ATOM 604 NE ARG A 38 -6.885 -12.286 11.016 1.00 0.00 N ATOM 605 CZ ARG A 38 -6.153 -13.385 10.978 1.00 0.00 C ATOM 606 NH1 ARG A 38 -5.201 -13.668 11.819 1.00 0.00 N ATOM 607 NH2 ARG A 38 -6.403 -14.229 10.037 1.00 0.00 N ATOM 0 H ARG A 38 -7.799 -7.417 10.759 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.891 -7.069 13.392 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.693 -9.379 13.699 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.799 -8.504 12.658 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.759 -10.526 11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.497 -9.697 10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.758 -10.833 12.075 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.998 -11.623 13.029 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.581 -12.161 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.977 -13.019 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.679 -14.539 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.141 -14.035 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.863 -15.091 9.969 1.00 0.00 H new ATOM 620 N SER A 39 -4.480 -8.439 11.836 1.00 0.00 N ATOM 621 CA SER A 39 -3.020 -8.668 11.969 1.00 0.00 C ATOM 622 C SER A 39 -2.254 -8.271 10.648 1.00 0.00 C ATOM 623 O SER A 39 -2.868 -8.284 9.571 1.00 0.00 O ATOM 624 CB SER A 39 -2.764 -10.152 12.327 1.00 0.00 C ATOM 625 OG SER A 39 -3.164 -10.429 13.670 1.00 0.00 O ATOM 0 H SER A 39 -4.804 -8.449 10.869 1.00 0.00 H new ATOM 0 HA SER A 39 -2.637 -8.033 12.768 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.313 -10.796 11.640 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.706 -10.383 12.204 1.00 0.00 H new ATOM 0 HG SER A 39 -3.761 -9.719 13.987 1.00 0.00 H new ATOM 631 N PRO A 40 -0.922 -7.972 10.650 1.00 0.00 N ATOM 632 CA PRO A 40 -0.113 -7.793 9.388 1.00 0.00 C ATOM 633 C PRO A 40 -0.234 -8.818 8.224 1.00 0.00 C ATOM 634 O PRO A 40 -0.144 -8.415 7.064 1.00 0.00 O ATOM 635 CB PRO A 40 1.337 -7.700 9.938 1.00 0.00 C ATOM 636 CG PRO A 40 1.157 -7.067 11.335 1.00 0.00 C ATOM 637 CD PRO A 40 -0.119 -7.740 11.872 1.00 0.00 C ATOM 0 HA PRO A 40 -0.500 -6.925 8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.806 -8.682 10.000 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.970 -7.085 9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.015 -7.263 11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.045 -5.985 11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.105 -8.673 12.389 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.643 -7.100 12.582 1.00 0.00 H new ATOM 645 N ASN A 41 -0.497 -10.101 8.523 1.00 0.00 N ATOM 646 CA ASN A 41 -0.912 -11.112 7.512 1.00 0.00 C ATOM 647 C ASN A 41 -2.156 -10.804 6.602 1.00 0.00 C ATOM 648 O ASN A 41 -2.152 -11.207 5.439 1.00 0.00 O ATOM 649 CB ASN A 41 -0.990 -12.510 8.174 1.00 0.00 C ATOM 650 CG ASN A 41 -2.016 -12.720 9.270 1.00 0.00 C ATOM 651 OD1 ASN A 41 -1.737 -12.554 10.449 1.00 0.00 O ATOM 652 ND2 ASN A 41 -3.230 -13.075 8.939 1.00 0.00 N ATOM 0 H ASN A 41 -0.431 -10.475 9.469 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.117 -11.073 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.185 -13.241 7.389 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.008 -12.740 8.587 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.936 -13.211 9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.471 -13.215 7.958 1.00 0.00 H new ATOM 659 N ALA A 42 -3.187 -10.109 7.103 1.00 0.00 N ATOM 660 CA ALA A 42 -4.264 -9.551 6.242 1.00 0.00 C ATOM 661 C ALA A 42 -3.897 -8.242 5.458 1.00 0.00 C ATOM 662 O ALA A 42 -4.246 -8.132 4.280 1.00 0.00 O ATOM 663 CB ALA A 42 -5.495 -9.363 7.138 1.00 0.00 C ATOM 0 H ALA A 42 -3.307 -9.915 8.097 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.453 -10.259 5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.315 -8.954 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.792 -10.325 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.253 -8.676 7.949 1.00 0.00 H new ATOM 669 N ALA A 43 -3.181 -7.289 6.081 1.00 0.00 N ATOM 670 CA ALA A 43 -2.632 -6.100 5.379 1.00 0.00 C ATOM 671 C ALA A 43 -1.615 -6.361 4.213 1.00 0.00 C ATOM 672 O ALA A 43 -1.692 -5.676 3.189 1.00 0.00 O ATOM 673 CB ALA A 43 -2.025 -5.203 6.468 1.00 0.00 C ATOM 0 H ALA A 43 -2.964 -7.314 7.077 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.457 -5.632 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.604 -4.308 6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.801 -4.916 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.239 -5.747 6.991 1.00 0.00 H new ATOM 679 N GLU A 44 -0.709 -7.351 4.334 1.00 0.00 N ATOM 680 CA GLU A 44 0.140 -7.806 3.198 1.00 0.00 C ATOM 681 C GLU A 44 -0.584 -8.337 1.918 1.00 0.00 C ATOM 682 O GLU A 44 -0.072 -8.108 0.823 1.00 0.00 O ATOM 683 CB GLU A 44 1.255 -8.770 3.681 1.00 0.00 C ATOM 684 CG GLU A 44 0.828 -10.187 4.090 1.00 0.00 C ATOM 685 CD GLU A 44 1.972 -11.011 4.661 1.00 0.00 C ATOM 686 OE1 GLU A 44 2.294 -10.981 5.845 1.00 0.00 O ATOM 687 OE2 GLU A 44 2.587 -11.780 3.717 1.00 0.00 O ATOM 0 H GLU A 44 -0.541 -7.856 5.204 1.00 0.00 H new ATOM 0 HA GLU A 44 0.584 -6.879 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.995 -8.856 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.755 -8.309 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.031 -10.121 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.415 -10.701 3.222 1.00 0.00 H new ATOM 695 N GLU A 45 -1.734 -9.019 2.040 1.00 0.00 N ATOM 696 CA GLU A 45 -2.490 -9.563 0.876 1.00 0.00 C ATOM 697 C GLU A 45 -2.951 -8.520 -0.206 1.00 0.00 C ATOM 698 O GLU A 45 -2.777 -8.775 -1.399 1.00 0.00 O ATOM 699 CB GLU A 45 -3.697 -10.391 1.390 1.00 0.00 C ATOM 700 CG GLU A 45 -3.354 -11.691 2.147 1.00 0.00 C ATOM 701 CD GLU A 45 -2.716 -12.787 1.312 1.00 0.00 C ATOM 702 OE1 GLU A 45 -1.509 -12.997 1.259 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.638 -13.515 0.626 1.00 0.00 O ATOM 0 H GLU A 45 -2.173 -9.214 2.940 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.776 -10.189 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.293 -9.758 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.326 -10.646 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.680 -11.445 2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.268 -12.083 2.592 1.00 0.00 H new ATOM 711 N HIS A 46 -3.477 -7.358 0.202 1.00 0.00 N ATOM 712 CA HIS A 46 -3.729 -6.218 -0.731 1.00 0.00 C ATOM 713 C HIS A 46 -2.428 -5.505 -1.261 1.00 0.00 C ATOM 714 O HIS A 46 -2.353 -5.216 -2.453 1.00 0.00 O ATOM 715 CB HIS A 46 -4.680 -5.185 -0.079 1.00 0.00 C ATOM 716 CG HIS A 46 -6.078 -5.725 0.240 1.00 0.00 C ATOM 717 ND1 HIS A 46 -7.050 -5.967 -0.717 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.501 -6.185 1.496 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.995 -6.570 0.070 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.757 -6.739 1.404 1.00 0.00 N ATOM 0 H HIS A 46 -3.741 -7.169 1.169 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.200 -6.660 -1.609 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.225 -4.822 0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.778 -4.328 -0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.923 -6.114 2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.924 -6.910 -0.363 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.343 -7.157 2.126 1.00 0.00 H new ATOM 728 N LEU A 47 -1.429 -5.273 -0.399 1.00 0.00 N ATOM 729 CA LEU A 47 -0.049 -4.836 -0.798 1.00 0.00 C ATOM 730 C LEU A 47 0.654 -5.690 -1.902 1.00 0.00 C ATOM 731 O LEU A 47 1.095 -5.121 -2.905 1.00 0.00 O ATOM 732 CB LEU A 47 0.673 -4.708 0.564 1.00 0.00 C ATOM 733 CG LEU A 47 2.135 -4.266 0.695 1.00 0.00 C ATOM 734 CD1 LEU A 47 3.136 -5.378 0.374 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.478 -2.998 -0.071 1.00 0.00 C ATOM 0 H LEU A 47 -1.539 -5.379 0.609 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.046 -3.894 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.085 -4.012 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.600 -5.683 1.046 1.00 0.00 H new ATOM 0 HG LEU A 47 2.233 -4.026 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.151 -4.997 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.984 -6.213 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.987 -5.717 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.531 -2.757 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.286 -3.151 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.863 -2.175 0.294 1.00 0.00 H new ATOM 747 N LYS A 48 0.716 -7.028 -1.779 1.00 0.00 N ATOM 748 CA LYS A 48 1.172 -7.918 -2.886 1.00 0.00 C ATOM 749 C LYS A 48 0.249 -8.016 -4.148 1.00 0.00 C ATOM 750 O LYS A 48 0.772 -8.062 -5.262 1.00 0.00 O ATOM 751 CB LYS A 48 1.584 -9.292 -2.305 1.00 0.00 C ATOM 752 CG LYS A 48 0.443 -10.196 -1.825 1.00 0.00 C ATOM 753 CD LYS A 48 0.912 -11.458 -1.092 1.00 0.00 C ATOM 754 CE LYS A 48 1.437 -11.201 0.322 1.00 0.00 C ATOM 755 NZ LYS A 48 1.599 -12.484 1.028 1.00 0.00 N ATOM 0 H LYS A 48 0.458 -7.526 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 48 2.044 -7.427 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.149 -9.830 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.260 -9.120 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.206 -9.623 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.159 -10.490 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.082 -12.163 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.697 -11.935 -1.678 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.391 -10.676 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.745 -10.559 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.004 -12.313 1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.672 -12.945 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.236 -13.101 0.485 1.00 0.00 H new ATOM 768 N ALA A 49 -1.088 -8.017 -3.998 1.00 0.00 N ATOM 769 CA ALA A 49 -2.028 -7.893 -5.145 1.00 0.00 C ATOM 770 C ALA A 49 -1.968 -6.560 -5.972 1.00 0.00 C ATOM 771 O ALA A 49 -2.064 -6.609 -7.199 1.00 0.00 O ATOM 772 CB ALA A 49 -3.433 -8.157 -4.586 1.00 0.00 C ATOM 0 H ALA A 49 -1.551 -8.102 -3.093 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.726 -8.625 -5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.165 -8.078 -5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.472 -9.158 -4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.661 -7.422 -3.814 1.00 0.00 H new ATOM 778 N LEU A 50 -1.768 -5.403 -5.324 1.00 0.00 N ATOM 779 CA LEU A 50 -1.350 -4.143 -6.000 1.00 0.00 C ATOM 780 C LEU A 50 -0.003 -4.222 -6.827 1.00 0.00 C ATOM 781 O LEU A 50 0.033 -3.737 -7.959 1.00 0.00 O ATOM 782 CB LEU A 50 -1.239 -3.038 -4.914 1.00 0.00 C ATOM 783 CG LEU A 50 -2.555 -2.522 -4.296 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.246 -1.764 -2.995 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.275 -1.567 -5.248 1.00 0.00 C ATOM 0 H LEU A 50 -1.889 -5.303 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.112 -3.924 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.613 -3.419 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.714 -2.188 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.195 -3.382 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.175 -1.399 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.752 -2.435 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.591 -0.920 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.199 -1.220 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.633 -0.713 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.508 -2.087 -6.177 1.00 0.00 H new ATOM 797 N ALA A 51 1.060 -4.845 -6.295 1.00 0.00 N ATOM 798 CA ALA A 51 2.275 -5.179 -7.086 1.00 0.00 C ATOM 799 C ALA A 51 2.099 -6.205 -8.257 1.00 0.00 C ATOM 800 O ALA A 51 2.613 -5.957 -9.348 1.00 0.00 O ATOM 801 CB ALA A 51 3.333 -5.641 -6.078 1.00 0.00 C ATOM 0 H ALA A 51 1.111 -5.132 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 51 2.568 -4.280 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.250 -5.900 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.537 -4.837 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.965 -6.514 -5.539 1.00 0.00 H new ATOM 807 N ARG A 52 1.351 -7.302 -8.056 1.00 0.00 N ATOM 808 CA ARG A 52 0.927 -8.223 -9.157 1.00 0.00 C ATOM 809 C ARG A 52 0.083 -7.574 -10.315 1.00 0.00 C ATOM 810 O ARG A 52 0.329 -7.874 -11.483 1.00 0.00 O ATOM 811 CB ARG A 52 0.194 -9.401 -8.465 1.00 0.00 C ATOM 812 CG ARG A 52 -0.057 -10.624 -9.369 1.00 0.00 C ATOM 813 CD ARG A 52 -0.766 -11.750 -8.602 1.00 0.00 C ATOM 814 NE ARG A 52 -0.937 -12.899 -9.519 1.00 0.00 N ATOM 815 CZ ARG A 52 -1.509 -14.050 -9.214 1.00 0.00 C ATOM 816 NH1 ARG A 52 -2.009 -14.338 -8.048 1.00 0.00 N ATOM 817 NH2 ARG A 52 -1.570 -14.942 -10.142 1.00 0.00 N ATOM 0 H ARG A 52 1.017 -7.587 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 52 1.813 -8.550 -9.701 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.779 -9.718 -7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.764 -9.043 -8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.663 -10.327 -10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.892 -10.990 -9.761 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.181 -12.043 -7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.734 -11.409 -8.236 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.582 -12.793 -10.469 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.974 -13.651 -7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.436 -15.250 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.186 -14.744 -11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.003 -15.846 -9.953 1.00 0.00 H new ATOM 830 N LYS A 53 -0.851 -6.667 -9.997 1.00 0.00 N ATOM 831 CA LYS A 53 -1.455 -5.731 -10.993 1.00 0.00 C ATOM 832 C LYS A 53 -0.493 -4.710 -11.720 1.00 0.00 C ATOM 833 O LYS A 53 -0.855 -4.212 -12.789 1.00 0.00 O ATOM 834 CB LYS A 53 -2.592 -5.023 -10.202 1.00 0.00 C ATOM 835 CG LYS A 53 -3.453 -3.989 -10.943 1.00 0.00 C ATOM 836 CD LYS A 53 -4.273 -4.557 -12.108 1.00 0.00 C ATOM 837 CE LYS A 53 -5.052 -3.480 -12.878 1.00 0.00 C ATOM 838 NZ LYS A 53 -4.159 -2.665 -13.730 1.00 0.00 N ATOM 0 H LYS A 53 -1.216 -6.551 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.795 -6.304 -11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.257 -5.794 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.141 -4.527 -9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.134 -3.524 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.803 -3.201 -11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.605 -5.075 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.973 -5.299 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.813 -3.954 -13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.573 -2.833 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.719 -1.949 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.448 -2.193 -13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.681 -3.280 -14.420 1.00 0.00 H new ATOM 851 N GLY A 54 0.675 -4.384 -11.151 1.00 0.00 N ATOM 852 CA GLY A 54 1.625 -3.408 -11.742 1.00 0.00 C ATOM 853 C GLY A 54 1.566 -1.935 -11.281 1.00 0.00 C ATOM 854 O GLY A 54 2.129 -1.082 -11.967 1.00 0.00 O ATOM 0 H GLY A 54 0.996 -4.784 -10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.634 -3.773 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.481 -3.421 -12.822 1.00 0.00 H new ATOM 858 N VAL A 55 0.938 -1.630 -10.139 1.00 0.00 N ATOM 859 CA VAL A 55 0.787 -0.233 -9.641 1.00 0.00 C ATOM 860 C VAL A 55 1.809 0.224 -8.530 1.00 0.00 C ATOM 861 O VAL A 55 1.987 1.434 -8.375 1.00 0.00 O ATOM 862 CB VAL A 55 -0.688 0.115 -9.238 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.684 -0.019 -10.412 1.00 0.00 C ATOM 864 CG2 VAL A 55 -1.263 -0.658 -8.047 1.00 0.00 C ATOM 0 H VAL A 55 0.518 -2.331 -9.528 1.00 0.00 H new ATOM 0 HA VAL A 55 1.054 0.360 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.587 1.156 -8.932 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.687 0.235 -10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.393 0.658 -11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.676 -1.045 -10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.287 -0.333 -7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.255 -1.725 -8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.656 -0.467 -7.162 1.00 0.00 H new ATOM 874 N ILE A 56 2.451 -0.687 -7.776 1.00 0.00 N ATOM 875 CA ILE A 56 3.444 -0.329 -6.718 1.00 0.00 C ATOM 876 C ILE A 56 4.685 -1.309 -6.718 1.00 0.00 C ATOM 877 O ILE A 56 4.563 -2.519 -6.924 1.00 0.00 O ATOM 878 CB ILE A 56 2.831 -0.211 -5.264 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.205 -1.525 -4.753 1.00 0.00 C ATOM 880 CG2 ILE A 56 1.840 0.969 -5.171 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.721 -1.506 -3.306 1.00 0.00 C ATOM 0 H ILE A 56 2.304 -1.692 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 56 3.784 0.671 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 56 3.667 -0.006 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.362 -1.779 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.940 -2.323 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.435 1.025 -4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.358 1.899 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.026 0.817 -5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.299 -2.478 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.560 -1.289 -2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.958 -0.737 -3.188 1.00 0.00 H new ATOM 893 N GLU A 57 5.859 -0.753 -6.435 1.00 0.00 N ATOM 894 CA GLU A 57 7.150 -1.488 -6.357 1.00 0.00 C ATOM 895 C GLU A 57 7.632 -1.528 -4.870 1.00 0.00 C ATOM 896 O GLU A 57 8.022 -0.499 -4.310 1.00 0.00 O ATOM 897 CB GLU A 57 8.098 -0.674 -7.276 1.00 0.00 C ATOM 898 CG GLU A 57 9.562 -1.148 -7.369 1.00 0.00 C ATOM 899 CD GLU A 57 10.467 -0.028 -7.875 1.00 0.00 C ATOM 900 OE1 GLU A 57 10.694 0.189 -9.061 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.940 0.741 -6.855 1.00 0.00 O ATOM 0 H GLU A 57 5.958 0.244 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 57 7.096 -2.528 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.677 -0.675 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.098 0.360 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.903 -1.482 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.629 -2.005 -8.039 1.00 0.00 H new ATOM 909 N ILE A 58 7.619 -2.709 -4.246 1.00 0.00 N ATOM 910 CA ILE A 58 8.093 -2.889 -2.839 1.00 0.00 C ATOM 911 C ILE A 58 9.592 -3.363 -2.862 1.00 0.00 C ATOM 912 O ILE A 58 9.941 -4.348 -3.521 1.00 0.00 O ATOM 913 CB ILE A 58 7.194 -3.893 -2.024 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.682 -3.529 -1.982 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.660 -3.968 -0.534 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.861 -4.078 -3.144 1.00 0.00 C ATOM 0 H ILE A 58 7.286 -3.569 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 58 8.016 -1.930 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 58 7.312 -4.838 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.259 -3.900 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.584 -2.444 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.026 -4.667 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.694 -4.309 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.585 -2.980 -0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.820 -3.774 -3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.253 -3.687 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.922 -5.166 -3.151 1.00 0.00 H new ATOM 928 N VAL A 59 10.459 -2.680 -2.104 1.00 0.00 N ATOM 929 CA VAL A 59 11.893 -3.073 -1.964 1.00 0.00 C ATOM 930 C VAL A 59 12.092 -4.370 -1.111 1.00 0.00 C ATOM 931 O VAL A 59 11.528 -4.513 -0.022 1.00 0.00 O ATOM 932 CB VAL A 59 12.709 -1.834 -1.460 1.00 0.00 C ATOM 933 CG1 VAL A 59 12.618 -1.546 0.046 1.00 0.00 C ATOM 934 CG2 VAL A 59 14.203 -1.943 -1.832 1.00 0.00 C ATOM 0 H VAL A 59 10.205 -1.848 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 59 12.287 -3.357 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 59 12.230 -1.002 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.219 -0.669 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.579 -1.359 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.991 -2.405 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.734 -1.065 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.626 -2.839 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.305 -2.002 -2.916 1.00 0.00 H new ATOM 944 N SER A 60 12.918 -5.307 -1.596 1.00 0.00 N ATOM 945 CA SER A 60 13.238 -6.551 -0.840 1.00 0.00 C ATOM 946 C SER A 60 14.411 -6.341 0.170 1.00 0.00 C ATOM 947 O SER A 60 15.582 -6.568 -0.145 1.00 0.00 O ATOM 948 CB SER A 60 13.521 -7.669 -1.869 1.00 0.00 C ATOM 949 OG SER A 60 12.347 -7.984 -2.621 1.00 0.00 O ATOM 0 H SER A 60 13.380 -5.239 -2.503 1.00 0.00 H new ATOM 0 HA SER A 60 12.390 -6.841 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.316 -7.353 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.877 -8.561 -1.353 1.00 0.00 H new ATOM 0 HG SER A 60 12.552 -8.693 -3.266 1.00 0.00 H new ATOM 955 N GLY A 61 14.074 -5.878 1.381 1.00 0.00 N ATOM 956 CA GLY A 61 15.083 -5.574 2.426 1.00 0.00 C ATOM 957 C GLY A 61 14.611 -4.576 3.494 1.00 0.00 C ATOM 958 O GLY A 61 14.372 -4.958 4.640 1.00 0.00 O ATOM 0 H GLY A 61 13.111 -5.703 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.371 -6.504 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.977 -5.177 1.946 1.00 0.00 H new ATOM 962 N ALA A 62 14.502 -3.295 3.123 1.00 0.00 N ATOM 963 CA ALA A 62 14.021 -2.237 4.043 1.00 0.00 C ATOM 964 C ALA A 62 12.465 -2.177 4.151 1.00 0.00 C ATOM 965 O ALA A 62 11.769 -1.949 3.159 1.00 0.00 O ATOM 966 CB ALA A 62 14.605 -0.912 3.524 1.00 0.00 C ATOM 0 H ALA A 62 14.739 -2.957 2.190 1.00 0.00 H new ATOM 0 HA ALA A 62 14.355 -2.450 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.281 -0.094 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.694 -0.968 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.255 -0.734 2.507 1.00 0.00 H new ATOM 972 N SER A 63 11.931 -2.354 5.370 1.00 0.00 N ATOM 973 CA SER A 63 10.457 -2.426 5.596 1.00 0.00 C ATOM 974 C SER A 63 9.576 -1.196 5.180 1.00 0.00 C ATOM 975 O SER A 63 8.448 -1.408 4.730 1.00 0.00 O ATOM 976 CB SER A 63 10.229 -2.788 7.084 1.00 0.00 C ATOM 977 OG SER A 63 8.869 -3.145 7.337 1.00 0.00 O ATOM 0 H SER A 63 12.487 -2.451 6.220 1.00 0.00 H new ATOM 0 HA SER A 63 10.102 -3.188 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.881 -3.617 7.361 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.506 -1.941 7.712 1.00 0.00 H new ATOM 0 HG SER A 63 8.760 -3.369 8.285 1.00 0.00 H new ATOM 983 N ARG A 64 10.070 0.042 5.329 1.00 0.00 N ATOM 984 CA ARG A 64 9.424 1.236 4.722 1.00 0.00 C ATOM 985 C ARG A 64 10.136 1.616 3.374 1.00 0.00 C ATOM 986 O ARG A 64 11.000 2.497 3.322 1.00 0.00 O ATOM 987 CB ARG A 64 9.443 2.426 5.718 1.00 0.00 C ATOM 988 CG ARG A 64 8.533 2.241 6.947 1.00 0.00 C ATOM 989 CD ARG A 64 8.349 3.558 7.707 1.00 0.00 C ATOM 990 NE ARG A 64 7.615 3.360 8.979 1.00 0.00 N ATOM 991 CZ ARG A 64 8.166 3.099 10.157 1.00 0.00 C ATOM 992 NH1 ARG A 64 9.435 2.886 10.343 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.392 3.060 11.188 1.00 0.00 N ATOM 0 H ARG A 64 10.914 0.252 5.862 1.00 0.00 H new ATOM 0 HA ARG A 64 8.384 0.998 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.466 2.582 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.141 3.331 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.561 1.863 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.964 1.492 7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.325 3.997 7.915 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.807 4.267 7.081 1.00 0.00 H new ATOM 0 HE ARG A 64 6.598 3.431 8.946 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.078 2.914 9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.787 2.691 11.280 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.391 3.227 11.081 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.780 2.862 12.110 1.00 0.00 H new ATOM 1006 N GLY A 65 9.730 0.959 2.283 1.00 0.00 N ATOM 1007 CA GLY A 65 10.245 1.272 0.929 1.00 0.00 C ATOM 1008 C GLY A 65 9.293 0.829 -0.189 1.00 0.00 C ATOM 1009 O GLY A 65 9.434 -0.268 -0.730 1.00 0.00 O ATOM 0 H GLY A 65 9.045 0.204 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.415 2.346 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.210 0.785 0.791 1.00 0.00 H new ATOM 1013 N ILE A 66 8.320 1.684 -0.508 1.00 0.00 N ATOM 1014 CA ILE A 66 7.259 1.377 -1.510 1.00 0.00 C ATOM 1015 C ILE A 66 7.195 2.591 -2.506 1.00 0.00 C ATOM 1016 O ILE A 66 6.741 3.682 -2.148 1.00 0.00 O ATOM 1017 CB ILE A 66 5.854 1.095 -0.847 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.894 -0.013 0.243 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.824 0.689 -1.937 1.00 0.00 C ATOM 1020 CD1 ILE A 66 4.675 -0.034 1.164 1.00 0.00 C ATOM 0 H ILE A 66 8.232 2.610 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 66 7.511 0.457 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 66 5.559 2.023 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.982 -0.983 -0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.790 0.122 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.858 0.496 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.723 1.497 -2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.168 -0.212 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.784 -0.836 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.595 0.921 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.775 -0.202 0.573 1.00 0.00 H new ATOM 1032 N ARG A 67 7.638 2.375 -3.747 1.00 0.00 N ATOM 1033 CA ARG A 67 7.548 3.390 -4.834 1.00 0.00 C ATOM 1034 C ARG A 67 6.263 3.143 -5.680 1.00 0.00 C ATOM 1035 O ARG A 67 6.056 2.038 -6.191 1.00 0.00 O ATOM 1036 CB ARG A 67 8.837 3.224 -5.677 1.00 0.00 C ATOM 1037 CG ARG A 67 9.048 4.264 -6.796 1.00 0.00 C ATOM 1038 CD ARG A 67 10.019 3.804 -7.900 1.00 0.00 C ATOM 1039 NE ARG A 67 11.404 3.635 -7.400 1.00 0.00 N ATOM 1040 CZ ARG A 67 12.456 3.335 -8.142 1.00 0.00 C ATOM 1041 NH1 ARG A 67 12.416 3.110 -9.421 1.00 0.00 N ATOM 1042 NH2 ARG A 67 13.592 3.241 -7.543 1.00 0.00 N ATOM 0 H ARG A 67 8.070 1.499 -4.040 1.00 0.00 H new ATOM 0 HA ARG A 67 7.475 4.407 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.695 3.262 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.828 2.231 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.084 4.498 -7.248 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.425 5.187 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.669 2.860 -8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.015 4.533 -8.711 1.00 0.00 H new ATOM 0 HE ARG A 67 11.558 3.761 -6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.528 3.160 -9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.273 2.884 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.652 3.396 -6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.432 3.011 -8.075 1.00 0.00 H new ATOM 1055 N LEU A 68 5.404 4.154 -5.861 1.00 0.00 N ATOM 1056 CA LEU A 68 4.236 4.028 -6.774 1.00 0.00 C ATOM 1057 C LEU A 68 4.608 4.155 -8.284 1.00 0.00 C ATOM 1058 O LEU A 68 5.233 5.126 -8.713 1.00 0.00 O ATOM 1059 CB LEU A 68 3.053 4.908 -6.322 1.00 0.00 C ATOM 1060 CG LEU A 68 3.061 6.420 -6.602 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.648 6.960 -6.330 1.00 0.00 C ATOM 1062 CD2 LEU A 68 4.059 7.201 -5.748 1.00 0.00 C ATOM 0 H LEU A 68 5.484 5.060 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 68 3.879 3.002 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.153 4.499 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.948 4.780 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 68 3.368 6.557 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.625 8.033 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.935 6.460 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.380 6.771 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.006 8.259 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.817 7.069 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.067 6.832 -5.938 1.00 0.00 H new ATOM 1074 N LEU A 69 4.221 3.151 -9.071 1.00 0.00 N ATOM 1075 CA LEU A 69 4.429 3.131 -10.543 1.00 0.00 C ATOM 1076 C LEU A 69 3.288 3.864 -11.342 1.00 0.00 C ATOM 1077 O LEU A 69 3.556 4.732 -12.173 1.00 0.00 O ATOM 1078 CB LEU A 69 4.597 1.660 -11.011 1.00 0.00 C ATOM 1079 CG LEU A 69 5.773 0.855 -10.406 1.00 0.00 C ATOM 1080 CD1 LEU A 69 5.638 -0.619 -10.822 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.140 1.383 -10.848 1.00 0.00 C ATOM 0 H LEU A 69 3.751 2.318 -8.716 1.00 0.00 H new ATOM 0 HA LEU A 69 5.337 3.693 -10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.673 1.127 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.711 1.661 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 69 5.721 0.962 -9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.463 -1.193 -10.400 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.693 -1.016 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.663 -0.694 -11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.927 0.781 -10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.219 1.324 -11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.249 2.421 -10.532 1.00 0.00 H new