USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 529 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 28 LYS NZ :NH3+ 165:sc= 0.311 (180deg=-0.0174) USER MOD Set 1.2: A 61 TYR OH : rot -164:sc= 0.0304 USER MOD Set 2.1: A 23 ASN : amide:sc= 1.31 K(o=-3.3,f=-2.4) USER MOD Set 2.2: A 47 HIS : no HD1:sc= -4.57 K(o=-3.3,f=-2.4) USER MOD Single : A 14 HIS : no HD1:sc= -0.231 K(o=-0.23,f=-0.77) USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= -0.0568 (180deg=-0.094) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 92:sc= -0.194 USER MOD Single : A 35 SER OG : rot 119:sc= 0.702 USER MOD Single : A 38 SER OG : rot 70:sc= -2.21! USER MOD Single : A 39 THR OG1 : rot -85:sc= 0.754 USER MOD Single : A 44 MET CE :methyl 176:sc= -14.4! (180deg=-14.5!) USER MOD Single : A 48 THR OG1 : rot -66:sc= 0.753 USER MOD Single : A 52 TYR OH : rot -130:sc= 0.16 USER MOD Single : A 53 ASN : amide:sc= 0.861 K(o=0.86,f=-6.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.11) USER MOD Single : A 57 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-3.6!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0889 USER MOD Single : A 65 ASN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -9.42! C(o=-9.4!,f=-5.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.761 4.073 -9.574 1.00 0.00 N ATOM 25 CA PHE A 10 10.948 3.835 -8.700 1.00 0.00 C ATOM 26 C PHE A 10 10.527 3.069 -7.439 1.00 0.00 C ATOM 27 O PHE A 10 9.471 3.298 -6.884 1.00 0.00 O ATOM 28 CB PHE A 10 11.471 5.248 -8.366 1.00 0.00 C ATOM 29 CG PHE A 10 11.783 5.393 -6.886 1.00 0.00 C ATOM 30 CD1 PHE A 10 13.057 5.071 -6.394 1.00 0.00 C ATOM 31 CD2 PHE A 10 10.795 5.860 -6.008 1.00 0.00 C ATOM 32 CE1 PHE A 10 13.339 5.219 -5.030 1.00 0.00 C ATOM 33 CE2 PHE A 10 11.077 6.004 -4.645 1.00 0.00 C ATOM 34 CZ PHE A 10 12.350 5.684 -4.154 1.00 0.00 C ATOM 0 HA PHE A 10 11.718 3.228 -9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.369 5.452 -8.949 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.727 5.990 -8.656 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.820 4.709 -7.067 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.814 6.109 -6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.321 4.974 -4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.313 6.362 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.568 5.796 -3.102 1.00 0.00 H new ATOM 44 N VAL A 11 11.364 2.181 -6.971 1.00 0.00 N ATOM 45 CA VAL A 11 11.036 1.422 -5.732 1.00 0.00 C ATOM 46 C VAL A 11 11.895 1.966 -4.593 1.00 0.00 C ATOM 47 O VAL A 11 13.111 1.916 -4.644 1.00 0.00 O ATOM 48 CB VAL A 11 11.354 -0.055 -6.038 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.858 -0.253 -6.267 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.903 -0.925 -4.859 1.00 0.00 C ATOM 0 H VAL A 11 12.262 1.949 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 11 9.993 1.519 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 11 10.822 -0.345 -6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 11 13.058 -1.303 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.181 0.357 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.405 0.046 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.126 -1.970 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.432 -0.617 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.830 -0.807 -4.709 1.00 0.00 H new ATOM 60 N ASP A 12 11.276 2.527 -3.584 1.00 0.00 N ATOM 61 CA ASP A 12 12.054 3.114 -2.456 1.00 0.00 C ATOM 62 C ASP A 12 13.132 2.148 -1.964 1.00 0.00 C ATOM 63 O ASP A 12 12.846 1.152 -1.327 1.00 0.00 O ATOM 64 CB ASP A 12 11.034 3.397 -1.352 1.00 0.00 C ATOM 65 CG ASP A 12 11.689 4.229 -0.241 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.192 5.298 -0.542 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.674 3.784 0.894 1.00 0.00 O ATOM 0 H ASP A 12 10.263 2.603 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 12 12.575 4.020 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.178 3.932 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.657 2.459 -0.943 1.00 0.00 H new ATOM 72 N ASP A 13 14.374 2.461 -2.239 1.00 0.00 N ATOM 73 CA ASP A 13 15.489 1.600 -1.779 1.00 0.00 C ATOM 74 C ASP A 13 15.556 1.660 -0.253 1.00 0.00 C ATOM 75 O ASP A 13 16.047 0.756 0.396 1.00 0.00 O ATOM 76 CB ASP A 13 16.747 2.203 -2.410 1.00 0.00 C ATOM 77 CG ASP A 13 17.870 1.161 -2.412 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.961 0.419 -3.375 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.619 1.125 -1.448 1.00 0.00 O ATOM 0 H ASP A 13 14.658 3.286 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 13 15.372 0.554 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.536 2.527 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.058 3.087 -1.853 1.00 0.00 H new ATOM 84 N HIS A 14 15.042 2.726 0.317 1.00 0.00 N ATOM 85 CA HIS A 14 15.040 2.869 1.796 1.00 0.00 C ATOM 86 C HIS A 14 14.045 1.879 2.420 1.00 0.00 C ATOM 87 O HIS A 14 14.148 1.535 3.582 1.00 0.00 O ATOM 88 CB HIS A 14 14.611 4.317 2.052 1.00 0.00 C ATOM 89 CG HIS A 14 15.559 4.954 3.031 1.00 0.00 C ATOM 90 ND1 HIS A 14 15.640 4.547 4.354 1.00 0.00 N ATOM 91 CD2 HIS A 14 16.475 5.967 2.894 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.574 5.305 4.955 1.00 0.00 C ATOM 93 NE2 HIS A 14 17.114 6.187 4.111 1.00 0.00 N ATOM 0 H HIS A 14 14.622 3.505 -0.190 1.00 0.00 H new ATOM 0 HA HIS A 14 16.013 2.654 2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.606 4.877 1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.594 4.343 2.444 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.670 6.510 1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.853 5.212 5.994 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.839 6.875 4.314 1.00 0.00 H new ATOM 101 N LEU A 15 13.103 1.402 1.647 1.00 0.00 N ATOM 102 CA LEU A 15 12.126 0.410 2.171 1.00 0.00 C ATOM 103 C LEU A 15 12.714 -0.997 1.965 1.00 0.00 C ATOM 104 O LEU A 15 12.540 -1.881 2.780 1.00 0.00 O ATOM 105 CB LEU A 15 10.840 0.655 1.351 1.00 0.00 C ATOM 106 CG LEU A 15 10.453 -0.575 0.519 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.767 -1.605 1.416 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.489 -0.147 -0.593 1.00 0.00 C ATOM 0 H LEU A 15 12.971 1.661 0.669 1.00 0.00 H new ATOM 0 HA LEU A 15 11.910 0.503 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.022 0.910 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.987 1.509 0.690 1.00 0.00 H new ATOM 0 HG LEU A 15 11.348 -1.016 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.493 -2.478 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.449 -1.906 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.870 -1.167 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.210 -1.017 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.595 0.292 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.975 0.589 -1.233 1.00 0.00 H new ATOM 120 N LEU A 16 13.431 -1.188 0.882 1.00 0.00 N ATOM 121 CA LEU A 16 14.062 -2.511 0.606 1.00 0.00 C ATOM 122 C LEU A 16 15.196 -2.772 1.597 1.00 0.00 C ATOM 123 O LEU A 16 15.377 -3.881 2.059 1.00 0.00 O ATOM 124 CB LEU A 16 14.617 -2.412 -0.812 1.00 0.00 C ATOM 125 CG LEU A 16 13.530 -2.845 -1.784 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.609 -1.664 -2.054 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.163 -3.323 -3.090 1.00 0.00 C ATOM 0 H LEU A 16 13.605 -0.475 0.174 1.00 0.00 H new ATOM 0 HA LEU A 16 13.348 -3.328 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.932 -1.391 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.497 -3.046 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 16 12.956 -3.665 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.826 -1.965 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.156 -1.335 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.184 -0.845 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.380 -3.632 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.740 -2.511 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.822 -4.167 -2.887 1.00 0.00 H new ATOM 139 N GLU A 17 15.956 -1.755 1.933 1.00 0.00 N ATOM 140 CA GLU A 17 17.079 -1.952 2.909 1.00 0.00 C ATOM 141 C GLU A 17 16.541 -2.495 4.245 1.00 0.00 C ATOM 142 O GLU A 17 17.273 -3.079 5.021 1.00 0.00 O ATOM 143 CB GLU A 17 17.724 -0.575 3.096 1.00 0.00 C ATOM 144 CG GLU A 17 16.687 0.406 3.627 1.00 0.00 C ATOM 145 CD GLU A 17 17.369 1.488 4.466 1.00 0.00 C ATOM 146 OE1 GLU A 17 17.895 2.421 3.881 1.00 0.00 O ATOM 147 OE2 GLU A 17 17.350 1.368 5.680 1.00 0.00 O ATOM 0 H GLU A 17 15.850 -0.805 1.578 1.00 0.00 H new ATOM 0 HA GLU A 17 17.805 -2.679 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.562 -0.646 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.125 -0.218 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.149 0.864 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.950 -0.123 4.231 1.00 0.00 H new ATOM 154 N LYS A 18 15.266 -2.317 4.509 1.00 0.00 N ATOM 155 CA LYS A 18 14.673 -2.830 5.781 1.00 0.00 C ATOM 156 C LYS A 18 13.927 -4.150 5.530 1.00 0.00 C ATOM 157 O LYS A 18 13.833 -4.990 6.406 1.00 0.00 O ATOM 158 CB LYS A 18 13.693 -1.742 6.225 1.00 0.00 C ATOM 159 CG LYS A 18 14.457 -0.606 6.914 1.00 0.00 C ATOM 160 CD LYS A 18 13.646 0.689 6.816 1.00 0.00 C ATOM 161 CE LYS A 18 12.465 0.632 7.792 1.00 0.00 C ATOM 162 NZ LYS A 18 11.657 1.850 7.498 1.00 0.00 N ATOM 0 H LYS A 18 14.611 -1.836 3.893 1.00 0.00 H new ATOM 0 HA LYS A 18 15.433 -3.034 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.149 -1.356 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.954 -2.162 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.637 -0.856 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.432 -0.473 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.280 1.545 7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.283 0.826 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.878 -0.275 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.809 0.627 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.899 1.942 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.269 2.690 7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.239 1.769 6.549 1.00 0.00 H new ATOM 176 N VAL A 19 13.392 -4.339 4.343 1.00 0.00 N ATOM 177 CA VAL A 19 12.647 -5.603 4.040 1.00 0.00 C ATOM 178 C VAL A 19 13.610 -6.769 3.808 1.00 0.00 C ATOM 179 O VAL A 19 13.338 -7.886 4.205 1.00 0.00 O ATOM 180 CB VAL A 19 11.847 -5.311 2.769 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.719 -5.537 1.530 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.636 -6.247 2.721 1.00 0.00 C ATOM 0 H VAL A 19 13.440 -3.672 3.573 1.00 0.00 H new ATOM 0 HA VAL A 19 12.004 -5.893 4.871 1.00 0.00 H new ATOM 0 HB VAL A 19 11.517 -4.272 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.138 -5.326 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.583 -4.874 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.058 -6.573 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.058 -6.048 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.977 -7.282 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.010 -6.078 3.597 1.00 0.00 H new ATOM 192 N LEU A 20 14.733 -6.521 3.177 1.00 0.00 N ATOM 193 CA LEU A 20 15.709 -7.626 2.939 1.00 0.00 C ATOM 194 C LEU A 20 16.170 -8.157 4.292 1.00 0.00 C ATOM 195 O LEU A 20 16.525 -9.312 4.430 1.00 0.00 O ATOM 196 CB LEU A 20 16.869 -7.016 2.136 1.00 0.00 C ATOM 197 CG LEU A 20 17.662 -6.021 2.991 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.821 -6.743 3.682 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.219 -4.921 2.088 1.00 0.00 C ATOM 0 H LEU A 20 15.013 -5.608 2.820 1.00 0.00 H new ATOM 0 HA LEU A 20 15.282 -8.461 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.530 -7.808 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.479 -6.512 1.252 1.00 0.00 H new ATOM 0 HG LEU A 20 17.007 -5.586 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.382 -6.032 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.428 -7.534 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.479 -7.177 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.785 -4.209 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.874 -5.363 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.396 -4.405 1.593 1.00 0.00 H new ATOM 211 N GLU A 21 16.125 -7.319 5.302 1.00 0.00 N ATOM 212 CA GLU A 21 16.511 -7.768 6.659 1.00 0.00 C ATOM 213 C GLU A 21 15.433 -8.717 7.192 1.00 0.00 C ATOM 214 O GLU A 21 15.717 -9.667 7.897 1.00 0.00 O ATOM 215 CB GLU A 21 16.574 -6.498 7.508 1.00 0.00 C ATOM 216 CG GLU A 21 18.026 -6.210 7.900 1.00 0.00 C ATOM 217 CD GLU A 21 18.481 -4.895 7.263 1.00 0.00 C ATOM 218 OE1 GLU A 21 18.122 -3.851 7.785 1.00 0.00 O ATOM 219 OE2 GLU A 21 19.180 -4.953 6.265 1.00 0.00 O ATOM 0 H GLU A 21 15.836 -6.343 5.235 1.00 0.00 H new ATOM 0 HA GLU A 21 17.463 -8.299 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.164 -5.656 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.962 -6.616 8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.115 -6.150 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.670 -7.026 7.572 1.00 0.00 H new ATOM 226 N LEU A 22 14.192 -8.470 6.832 1.00 0.00 N ATOM 227 CA LEU A 22 13.078 -9.357 7.282 1.00 0.00 C ATOM 228 C LEU A 22 13.047 -10.621 6.417 1.00 0.00 C ATOM 229 O LEU A 22 12.600 -11.666 6.849 1.00 0.00 O ATOM 230 CB LEU A 22 11.805 -8.524 7.085 1.00 0.00 C ATOM 231 CG LEU A 22 11.365 -7.901 8.419 1.00 0.00 C ATOM 232 CD1 LEU A 22 12.589 -7.470 9.234 1.00 0.00 C ATOM 233 CD2 LEU A 22 10.485 -6.681 8.142 1.00 0.00 C ATOM 0 H LEU A 22 13.907 -7.688 6.243 1.00 0.00 H new ATOM 0 HA LEU A 22 13.186 -9.682 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.986 -7.739 6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.008 -9.153 6.689 1.00 0.00 H new ATOM 0 HG LEU A 22 10.804 -8.642 8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.262 -7.030 10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.215 -8.339 9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.161 -6.734 8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.171 -6.237 9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.050 -5.948 7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.606 -6.988 7.575 1.00 0.00 H new ATOM 245 N ASN A 23 13.549 -10.538 5.209 1.00 0.00 N ATOM 246 CA ASN A 23 13.586 -11.739 4.323 1.00 0.00 C ATOM 247 C ASN A 23 14.839 -12.574 4.638 1.00 0.00 C ATOM 248 O ASN A 23 14.961 -13.708 4.214 1.00 0.00 O ATOM 249 CB ASN A 23 13.651 -11.188 2.895 1.00 0.00 C ATOM 250 CG ASN A 23 12.240 -10.841 2.411 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.567 -11.664 1.823 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.759 -9.648 2.636 1.00 0.00 N ATOM 0 H ASN A 23 13.935 -9.687 4.799 1.00 0.00 H new ATOM 0 HA ASN A 23 12.720 -12.386 4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.284 -10.301 2.865 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.103 -11.925 2.231 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.820 -9.409 2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.322 -8.956 3.130 1.00 0.00 H new ATOM 259 N ALA A 24 15.768 -12.015 5.385 1.00 0.00 N ATOM 260 CA ALA A 24 17.006 -12.748 5.742 1.00 0.00 C ATOM 261 C ALA A 24 16.800 -13.519 7.046 1.00 0.00 C ATOM 262 O ALA A 24 17.255 -14.637 7.193 1.00 0.00 O ATOM 263 CB ALA A 24 18.063 -11.663 5.932 1.00 0.00 C ATOM 0 H ALA A 24 15.709 -11.069 5.762 1.00 0.00 H new ATOM 0 HA ALA A 24 17.293 -13.473 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.014 -12.124 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.180 -11.102 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.751 -10.987 6.728 1.00 0.00 H new ATOM 269 N LYS A 25 16.107 -12.929 7.992 1.00 0.00 N ATOM 270 CA LYS A 25 15.859 -13.626 9.287 1.00 0.00 C ATOM 271 C LYS A 25 14.505 -14.330 9.231 1.00 0.00 C ATOM 272 O LYS A 25 14.293 -15.346 9.866 1.00 0.00 O ATOM 273 CB LYS A 25 15.846 -12.522 10.354 1.00 0.00 C ATOM 274 CG LYS A 25 17.090 -11.632 10.223 1.00 0.00 C ATOM 275 CD LYS A 25 18.353 -12.498 10.174 1.00 0.00 C ATOM 276 CE LYS A 25 19.447 -11.764 9.391 1.00 0.00 C ATOM 277 NZ LYS A 25 20.194 -12.834 8.668 1.00 0.00 N ATOM 0 H LYS A 25 15.704 -11.995 7.920 1.00 0.00 H new ATOM 0 HA LYS A 25 16.616 -14.379 9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.946 -11.917 10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.815 -12.969 11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.020 -11.026 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.144 -10.943 11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.698 -12.714 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.132 -13.455 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.017 -11.044 8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.104 -11.208 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.960 -12.406 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.598 -13.501 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.545 -13.342 8.034 1.00 0.00 H new ATOM 291 N GLY A 26 13.589 -13.785 8.472 1.00 0.00 N ATOM 292 CA GLY A 26 12.235 -14.400 8.355 1.00 0.00 C ATOM 293 C GLY A 26 11.224 -13.575 9.154 1.00 0.00 C ATOM 294 O GLY A 26 10.202 -14.080 9.580 1.00 0.00 O ATOM 0 H GLY A 26 13.723 -12.935 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.935 -14.446 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.257 -15.425 8.726 1.00 0.00 H new ATOM 298 N GLU A 27 11.498 -12.307 9.359 1.00 0.00 N ATOM 299 CA GLU A 27 10.549 -11.449 10.131 1.00 0.00 C ATOM 300 C GLU A 27 9.454 -10.909 9.204 1.00 0.00 C ATOM 301 O GLU A 27 9.723 -10.469 8.102 1.00 0.00 O ATOM 302 CB GLU A 27 11.400 -10.301 10.680 1.00 0.00 C ATOM 303 CG GLU A 27 12.328 -10.820 11.781 1.00 0.00 C ATOM 304 CD GLU A 27 13.455 -9.810 12.017 1.00 0.00 C ATOM 305 OE1 GLU A 27 14.369 -9.771 11.209 1.00 0.00 O ATOM 306 OE2 GLU A 27 13.383 -9.093 13.000 1.00 0.00 O ATOM 0 H GLU A 27 12.337 -11.833 9.025 1.00 0.00 H new ATOM 0 HA GLU A 27 10.051 -12.001 10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.988 -9.856 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.755 -9.516 11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.766 -10.976 12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.745 -11.786 11.495 1.00 0.00 H new ATOM 313 N LYS A 28 8.222 -10.938 9.645 1.00 0.00 N ATOM 314 CA LYS A 28 7.105 -10.424 8.798 1.00 0.00 C ATOM 315 C LYS A 28 6.509 -9.165 9.440 1.00 0.00 C ATOM 316 O LYS A 28 5.460 -9.206 10.057 1.00 0.00 O ATOM 317 CB LYS A 28 6.081 -11.561 8.762 1.00 0.00 C ATOM 318 CG LYS A 28 6.474 -12.570 7.679 1.00 0.00 C ATOM 319 CD LYS A 28 5.212 -13.160 7.046 1.00 0.00 C ATOM 320 CE LYS A 28 5.519 -13.604 5.611 1.00 0.00 C ATOM 321 NZ LYS A 28 4.189 -13.712 4.945 1.00 0.00 N ATOM 0 H LYS A 28 7.942 -11.297 10.558 1.00 0.00 H new ATOM 0 HA LYS A 28 7.428 -10.146 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.035 -12.054 9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.087 -11.163 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.082 -12.083 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.082 -13.365 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.860 -14.008 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.412 -12.419 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.157 -12.881 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.045 -14.558 5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.320 -13.760 3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.705 -14.572 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.613 -12.879 5.183 1.00 0.00 H new ATOM 335 N ARG A 29 7.179 -8.047 9.302 1.00 0.00 N ATOM 336 CA ARG A 29 6.666 -6.781 9.906 1.00 0.00 C ATOM 337 C ARG A 29 6.354 -5.754 8.809 1.00 0.00 C ATOM 338 O ARG A 29 6.085 -6.106 7.675 1.00 0.00 O ATOM 339 CB ARG A 29 7.805 -6.288 10.807 1.00 0.00 C ATOM 340 CG ARG A 29 7.232 -5.776 12.134 1.00 0.00 C ATOM 341 CD ARG A 29 6.839 -6.963 13.020 1.00 0.00 C ATOM 342 NE ARG A 29 8.129 -7.543 13.493 1.00 0.00 N ATOM 343 CZ ARG A 29 8.284 -8.840 13.544 1.00 0.00 C ATOM 344 NH1 ARG A 29 8.128 -9.472 14.678 1.00 0.00 N ATOM 345 NH2 ARG A 29 8.595 -9.504 12.461 1.00 0.00 N ATOM 0 H ARG A 29 8.060 -7.958 8.796 1.00 0.00 H new ATOM 0 HA ARG A 29 5.741 -6.931 10.463 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.510 -7.098 10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.358 -5.492 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.970 -5.157 12.645 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.362 -5.146 11.947 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.221 -6.641 13.858 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.259 -7.697 12.460 1.00 0.00 H new ATOM 0 HE ARG A 29 8.891 -6.927 13.777 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.886 -8.953 15.522 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.249 -10.484 14.719 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.717 -9.010 11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.716 -10.516 12.500 1.00 0.00 H new ATOM 359 N LEU A 30 6.387 -4.487 9.141 1.00 0.00 N ATOM 360 CA LEU A 30 6.091 -3.431 8.128 1.00 0.00 C ATOM 361 C LEU A 30 7.351 -2.604 7.827 1.00 0.00 C ATOM 362 O LEU A 30 8.253 -2.507 8.641 1.00 0.00 O ATOM 363 CB LEU A 30 4.984 -2.570 8.766 1.00 0.00 C ATOM 364 CG LEU A 30 5.580 -1.522 9.716 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.860 -0.185 9.519 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.405 -1.984 11.166 1.00 0.00 C ATOM 0 H LEU A 30 6.607 -4.139 10.074 1.00 0.00 H new ATOM 0 HA LEU A 30 5.772 -3.846 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.410 -2.073 7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.291 -3.209 9.313 1.00 0.00 H new ATOM 0 HG LEU A 30 6.641 -1.401 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.283 0.559 10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.985 0.147 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.799 -0.308 9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.829 -1.239 11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.344 -2.107 11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.918 -2.935 11.309 1.00 0.00 H new ATOM 378 N ILE A 31 7.411 -2.004 6.665 1.00 0.00 N ATOM 379 CA ILE A 31 8.599 -1.171 6.297 1.00 0.00 C ATOM 380 C ILE A 31 8.124 0.200 5.802 1.00 0.00 C ATOM 381 O ILE A 31 7.481 0.311 4.775 1.00 0.00 O ATOM 382 CB ILE A 31 9.321 -1.944 5.184 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.782 -3.302 5.727 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.543 -1.146 4.713 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.043 -4.423 4.995 1.00 0.00 C ATOM 0 H ILE A 31 6.685 -2.055 5.951 1.00 0.00 H new ATOM 0 HA ILE A 31 9.266 -0.997 7.141 1.00 0.00 H new ATOM 0 HB ILE A 31 8.640 -2.094 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.858 -3.413 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.587 -3.362 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.054 -1.696 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.220 -0.178 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.225 -0.996 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.371 -5.388 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.970 -4.315 5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.261 -4.366 3.928 1.00 0.00 H new ATOM 397 N LYS A 32 8.424 1.240 6.537 1.00 0.00 N ATOM 398 CA LYS A 32 7.979 2.611 6.134 1.00 0.00 C ATOM 399 C LYS A 32 8.677 3.062 4.841 1.00 0.00 C ATOM 400 O LYS A 32 9.755 2.602 4.510 1.00 0.00 O ATOM 401 CB LYS A 32 8.363 3.514 7.307 1.00 0.00 C ATOM 402 CG LYS A 32 7.333 3.362 8.431 1.00 0.00 C ATOM 403 CD LYS A 32 7.789 2.271 9.405 1.00 0.00 C ATOM 404 CE LYS A 32 7.155 2.511 10.780 1.00 0.00 C ATOM 405 NZ LYS A 32 8.164 3.298 11.545 1.00 0.00 N ATOM 0 H LYS A 32 8.961 1.200 7.403 1.00 0.00 H new ATOM 0 HA LYS A 32 6.910 2.645 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.356 3.251 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.409 4.553 6.980 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.214 4.308 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.359 3.106 8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.502 1.289 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.876 2.275 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.216 3.057 10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.930 1.569 11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.798 3.499 12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.045 2.751 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.354 4.193 11.051 1.00 0.00 H new ATOM 419 N THR A 33 8.051 3.951 4.105 1.00 0.00 N ATOM 420 CA THR A 33 8.642 4.439 2.817 1.00 0.00 C ATOM 421 C THR A 33 8.339 5.934 2.633 1.00 0.00 C ATOM 422 O THR A 33 7.228 6.374 2.872 1.00 0.00 O ATOM 423 CB THR A 33 7.936 3.610 1.734 1.00 0.00 C ATOM 424 OG1 THR A 33 7.922 2.239 2.110 1.00 0.00 O ATOM 425 CG2 THR A 33 8.667 3.756 0.406 1.00 0.00 C ATOM 0 H THR A 33 7.149 4.362 4.344 1.00 0.00 H new ATOM 0 HA THR A 33 9.726 4.328 2.782 1.00 0.00 H new ATOM 0 HB THR A 33 6.913 3.971 1.627 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.096 2.043 2.600 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.159 3.165 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.673 4.804 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.693 3.404 0.515 1.00 0.00 H new ATOM 433 N TRP A 34 9.313 6.722 2.218 1.00 0.00 N ATOM 434 CA TRP A 34 9.060 8.194 2.031 1.00 0.00 C ATOM 435 C TRP A 34 9.992 8.788 0.964 1.00 0.00 C ATOM 436 O TRP A 34 10.942 9.484 1.274 1.00 0.00 O ATOM 437 CB TRP A 34 9.320 8.890 3.385 1.00 0.00 C ATOM 438 CG TRP A 34 9.337 7.915 4.513 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.333 7.724 5.391 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.397 6.996 4.890 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.712 6.752 6.296 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.982 6.271 6.027 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.666 6.733 4.355 1.00 0.00 C ATOM 444 CZ2 TRP A 34 10.806 5.312 6.619 1.00 0.00 C ATOM 445 CZ3 TRP A 34 12.499 5.769 4.943 1.00 0.00 C ATOM 446 CH2 TRP A 34 12.070 5.060 6.075 1.00 0.00 C ATOM 0 H TRP A 34 10.261 6.413 2.003 1.00 0.00 H new ATOM 0 HA TRP A 34 8.034 8.347 1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 34 10.273 9.417 3.346 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.548 9.639 3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.387 8.245 5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 34 8.128 6.428 7.067 1.00 0.00 H new ATOM 0 HE3 TRP A 34 12.005 7.276 3.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 10.470 4.769 7.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.474 5.572 4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 34 12.715 4.320 6.526 1.00 0.00 H new ATOM 457 N SER A 35 9.720 8.535 -0.288 1.00 0.00 N ATOM 458 CA SER A 35 10.580 9.104 -1.370 1.00 0.00 C ATOM 459 C SER A 35 9.725 9.932 -2.342 1.00 0.00 C ATOM 460 O SER A 35 9.655 11.143 -2.234 1.00 0.00 O ATOM 461 CB SER A 35 11.209 7.898 -2.071 1.00 0.00 C ATOM 462 OG SER A 35 12.590 7.836 -1.742 1.00 0.00 O ATOM 0 H SER A 35 8.941 7.960 -0.610 1.00 0.00 H new ATOM 0 HA SER A 35 11.346 9.774 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.708 6.981 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.083 7.983 -3.150 1.00 0.00 H new ATOM 0 HG SER A 35 12.777 6.996 -1.274 1.00 0.00 H new ATOM 468 N ARG A 36 9.073 9.293 -3.283 1.00 0.00 N ATOM 469 CA ARG A 36 8.216 10.037 -4.260 1.00 0.00 C ATOM 470 C ARG A 36 7.347 9.047 -5.045 1.00 0.00 C ATOM 471 O ARG A 36 6.136 9.052 -4.935 1.00 0.00 O ATOM 472 CB ARG A 36 9.195 10.761 -5.194 1.00 0.00 C ATOM 473 CG ARG A 36 8.648 12.151 -5.532 1.00 0.00 C ATOM 474 CD ARG A 36 9.098 12.554 -6.939 1.00 0.00 C ATOM 475 NE ARG A 36 10.544 12.894 -6.803 1.00 0.00 N ATOM 476 CZ ARG A 36 11.399 12.488 -7.704 1.00 0.00 C ATOM 477 NH1 ARG A 36 11.895 13.338 -8.565 1.00 0.00 N ATOM 478 NH2 ARG A 36 11.759 11.231 -7.743 1.00 0.00 N ATOM 0 H ARG A 36 9.098 8.282 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 36 7.542 10.739 -3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.171 10.849 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.337 10.183 -6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.560 12.148 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.004 12.879 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.950 11.740 -7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.526 13.406 -7.307 1.00 0.00 H new ATOM 0 HE ARG A 36 10.866 13.444 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.615 14.318 -8.533 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.562 13.021 -9.268 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.372 10.569 -7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.426 10.913 -8.446 1.00 0.00 H new ATOM 492 N ARG A 37 7.963 8.186 -5.821 1.00 0.00 N ATOM 493 CA ARG A 37 7.185 7.176 -6.603 1.00 0.00 C ATOM 494 C ARG A 37 7.315 5.802 -5.932 1.00 0.00 C ATOM 495 O ARG A 37 7.368 4.784 -6.593 1.00 0.00 O ATOM 496 CB ARG A 37 7.824 7.164 -7.994 1.00 0.00 C ATOM 497 CG ARG A 37 7.594 8.514 -8.677 1.00 0.00 C ATOM 498 CD ARG A 37 8.937 9.227 -8.868 1.00 0.00 C ATOM 499 NE ARG A 37 8.695 10.230 -9.946 1.00 0.00 N ATOM 500 CZ ARG A 37 9.682 10.622 -10.707 1.00 0.00 C ATOM 501 NH1 ARG A 37 10.115 11.854 -10.630 1.00 0.00 N ATOM 502 NH2 ARG A 37 10.234 9.785 -11.547 1.00 0.00 N ATOM 0 H ARG A 37 8.974 8.141 -5.946 1.00 0.00 H new ATOM 0 HA ARG A 37 6.122 7.413 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.892 6.964 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.394 6.363 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.108 8.367 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.926 9.129 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.262 9.710 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.720 8.524 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 37 7.759 10.610 -10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.682 12.507 -9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.885 12.162 -11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.894 8.825 -11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.004 10.092 -12.141 1.00 0.00 H new ATOM 516 N SER A 38 7.377 5.788 -4.618 1.00 0.00 N ATOM 517 CA SER A 38 7.520 4.514 -3.843 1.00 0.00 C ATOM 518 C SER A 38 6.708 3.367 -4.466 1.00 0.00 C ATOM 519 O SER A 38 5.515 3.477 -4.678 1.00 0.00 O ATOM 520 CB SER A 38 6.989 4.860 -2.451 1.00 0.00 C ATOM 521 OG SER A 38 8.006 5.534 -1.718 1.00 0.00 O ATOM 0 H SER A 38 7.333 6.627 -4.040 1.00 0.00 H new ATOM 0 HA SER A 38 8.552 4.163 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.104 5.491 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.687 3.953 -1.928 1.00 0.00 H new ATOM 0 HG SER A 38 8.146 6.426 -2.098 1.00 0.00 H new ATOM 527 N THR A 39 7.364 2.270 -4.761 1.00 0.00 N ATOM 528 CA THR A 39 6.664 1.098 -5.374 1.00 0.00 C ATOM 529 C THR A 39 7.012 -0.186 -4.609 1.00 0.00 C ATOM 530 O THR A 39 8.011 -0.255 -3.917 1.00 0.00 O ATOM 531 CB THR A 39 7.196 1.025 -6.811 1.00 0.00 C ATOM 532 OG1 THR A 39 6.743 2.157 -7.540 1.00 0.00 O ATOM 533 CG2 THR A 39 6.693 -0.255 -7.489 1.00 0.00 C ATOM 0 H THR A 39 8.363 2.136 -4.602 1.00 0.00 H new ATOM 0 HA THR A 39 5.580 1.203 -5.344 1.00 0.00 H new ATOM 0 HB THR A 39 8.286 1.014 -6.791 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.846 1.981 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.074 -0.300 -8.509 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.043 -1.124 -6.932 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.603 -0.252 -7.509 1.00 0.00 H new ATOM 541 N ILE A 40 6.193 -1.202 -4.729 1.00 0.00 N ATOM 542 CA ILE A 40 6.476 -2.487 -4.005 1.00 0.00 C ATOM 543 C ILE A 40 7.456 -3.366 -4.807 1.00 0.00 C ATOM 544 O ILE A 40 7.741 -3.112 -5.962 1.00 0.00 O ATOM 545 CB ILE A 40 5.113 -3.179 -3.872 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.164 -2.294 -3.058 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.271 -4.522 -3.156 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.350 -1.413 -4.003 1.00 0.00 C ATOM 0 H ILE A 40 5.344 -1.201 -5.294 1.00 0.00 H new ATOM 0 HA ILE A 40 6.943 -2.312 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 40 4.706 -3.344 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.498 -2.913 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.733 -1.674 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.297 -5.004 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.942 -5.163 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.686 -4.358 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.675 -0.784 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.024 -0.783 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.769 -2.042 -4.678 1.00 0.00 H new ATOM 560 N VAL A 41 7.956 -4.407 -4.186 1.00 0.00 N ATOM 561 CA VAL A 41 8.910 -5.345 -4.867 1.00 0.00 C ATOM 562 C VAL A 41 8.563 -6.789 -4.500 1.00 0.00 C ATOM 563 O VAL A 41 7.660 -7.033 -3.720 1.00 0.00 O ATOM 564 CB VAL A 41 10.331 -5.001 -4.367 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.160 -4.454 -5.533 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.294 -3.946 -3.255 1.00 0.00 C ATOM 0 H VAL A 41 7.741 -4.652 -3.220 1.00 0.00 H new ATOM 0 HA VAL A 41 8.849 -5.242 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 41 10.777 -5.912 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.163 -4.210 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.223 -5.206 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.685 -3.556 -5.927 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.310 -3.728 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.831 -3.035 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.714 -4.325 -2.413 1.00 0.00 H new ATOM 576 N PRO A 42 9.289 -7.703 -5.086 1.00 0.00 N ATOM 577 CA PRO A 42 9.050 -9.145 -4.833 1.00 0.00 C ATOM 578 C PRO A 42 9.394 -9.520 -3.390 1.00 0.00 C ATOM 579 O PRO A 42 8.786 -10.399 -2.810 1.00 0.00 O ATOM 580 CB PRO A 42 9.980 -9.829 -5.822 1.00 0.00 C ATOM 581 CG PRO A 42 11.055 -8.835 -6.099 1.00 0.00 C ATOM 582 CD PRO A 42 10.398 -7.491 -6.029 1.00 0.00 C ATOM 0 HA PRO A 42 8.007 -9.435 -4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.391 -10.748 -5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.451 -10.102 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.859 -8.915 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.499 -9.002 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.087 -6.725 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.039 -7.168 -7.006 1.00 0.00 H new ATOM 590 N GLU A 43 10.352 -8.856 -2.802 1.00 0.00 N ATOM 591 CA GLU A 43 10.719 -9.168 -1.385 1.00 0.00 C ATOM 592 C GLU A 43 9.633 -8.668 -0.407 1.00 0.00 C ATOM 593 O GLU A 43 9.730 -8.875 0.788 1.00 0.00 O ATOM 594 CB GLU A 43 12.047 -8.444 -1.139 1.00 0.00 C ATOM 595 CG GLU A 43 11.869 -6.935 -1.336 1.00 0.00 C ATOM 596 CD GLU A 43 13.121 -6.357 -1.998 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.030 -5.978 -1.277 1.00 0.00 O ATOM 598 OE2 GLU A 43 13.149 -6.304 -3.217 1.00 0.00 O ATOM 0 H GLU A 43 10.897 -8.112 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 43 10.806 -10.242 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.399 -8.647 -0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.808 -8.821 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.994 -6.739 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.695 -6.450 -0.376 1.00 0.00 H new ATOM 605 N MET A 44 8.608 -8.009 -0.904 1.00 0.00 N ATOM 606 CA MET A 44 7.522 -7.488 -0.006 1.00 0.00 C ATOM 607 C MET A 44 6.311 -8.445 0.042 1.00 0.00 C ATOM 608 O MET A 44 5.271 -8.091 0.557 1.00 0.00 O ATOM 609 CB MET A 44 7.085 -6.160 -0.636 1.00 0.00 C ATOM 610 CG MET A 44 8.303 -5.290 -0.966 1.00 0.00 C ATOM 611 SD MET A 44 9.222 -4.909 0.541 1.00 0.00 S ATOM 612 CE MET A 44 10.532 -3.933 -0.238 1.00 0.00 C ATOM 0 H MET A 44 8.477 -7.809 -1.896 1.00 0.00 H new ATOM 0 HA MET A 44 7.884 -7.383 1.017 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.513 -6.353 -1.544 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.426 -5.627 0.049 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.949 -5.809 -1.674 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.980 -4.367 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.190 -3.528 0.531 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.108 -4.568 -0.911 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.088 -3.114 -0.804 1.00 0.00 H new ATOM 622 N VAL A 45 6.426 -9.639 -0.498 1.00 0.00 N ATOM 623 CA VAL A 45 5.267 -10.604 -0.508 1.00 0.00 C ATOM 624 C VAL A 45 4.779 -10.998 0.908 1.00 0.00 C ATOM 625 O VAL A 45 3.841 -11.761 1.047 1.00 0.00 O ATOM 626 CB VAL A 45 5.809 -11.831 -1.257 1.00 0.00 C ATOM 627 CG1 VAL A 45 4.782 -12.965 -1.233 1.00 0.00 C ATOM 628 CG2 VAL A 45 6.107 -11.443 -2.707 1.00 0.00 C ATOM 0 H VAL A 45 7.277 -9.991 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 45 4.392 -10.155 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 45 6.721 -12.173 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.180 -13.828 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.571 -13.243 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.862 -12.633 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.492 -12.310 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.191 -11.097 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.850 -10.646 -2.725 1.00 0.00 H new ATOM 638 N GLY A 46 5.372 -10.479 1.948 1.00 0.00 N ATOM 639 CA GLY A 46 4.910 -10.821 3.325 1.00 0.00 C ATOM 640 C GLY A 46 5.186 -9.641 4.260 1.00 0.00 C ATOM 641 O GLY A 46 5.529 -9.828 5.412 1.00 0.00 O ATOM 0 H GLY A 46 6.159 -9.831 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.845 -11.051 3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.426 -11.712 3.683 1.00 0.00 H new ATOM 645 N HIS A 47 5.057 -8.427 3.770 1.00 0.00 N ATOM 646 CA HIS A 47 5.337 -7.239 4.635 1.00 0.00 C ATOM 647 C HIS A 47 4.345 -6.109 4.354 1.00 0.00 C ATOM 648 O HIS A 47 3.866 -5.948 3.248 1.00 0.00 O ATOM 649 CB HIS A 47 6.761 -6.787 4.272 1.00 0.00 C ATOM 650 CG HIS A 47 7.697 -7.967 4.240 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.435 -8.359 5.345 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.015 -8.853 3.242 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.155 -9.439 4.986 1.00 0.00 C ATOM 654 NE2 HIS A 47 8.936 -9.781 3.714 1.00 0.00 N ATOM 0 H HIS A 47 4.772 -8.212 2.815 1.00 0.00 H new ATOM 0 HA HIS A 47 5.241 -7.491 5.691 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.756 -6.293 3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.113 -6.056 4.999 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.611 -8.833 2.241 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.828 -9.965 5.647 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.354 -10.556 3.200 1.00 0.00 H new ATOM 662 N THR A 48 4.064 -5.311 5.353 1.00 0.00 N ATOM 663 CA THR A 48 3.135 -4.160 5.179 1.00 0.00 C ATOM 664 C THR A 48 3.986 -2.906 5.004 1.00 0.00 C ATOM 665 O THR A 48 4.272 -2.192 5.944 1.00 0.00 O ATOM 666 CB THR A 48 2.295 -4.087 6.470 1.00 0.00 C ATOM 667 OG1 THR A 48 2.387 -5.312 7.191 1.00 0.00 O ATOM 668 CG2 THR A 48 0.831 -3.820 6.120 1.00 0.00 C ATOM 0 H THR A 48 4.446 -5.412 6.293 1.00 0.00 H new ATOM 0 HA THR A 48 2.479 -4.259 4.314 1.00 0.00 H new ATOM 0 HB THR A 48 2.680 -3.277 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.958 -6.027 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.241 -3.769 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.752 -2.874 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.455 -4.626 5.490 1.00 0.00 H new ATOM 676 N ILE A 49 4.428 -2.659 3.807 1.00 0.00 N ATOM 677 CA ILE A 49 5.306 -1.482 3.564 1.00 0.00 C ATOM 678 C ILE A 49 4.479 -0.218 3.374 1.00 0.00 C ATOM 679 O ILE A 49 3.653 -0.134 2.486 1.00 0.00 O ATOM 680 CB ILE A 49 6.083 -1.841 2.301 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.023 -3.004 2.629 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.894 -0.635 1.822 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.581 -4.250 1.867 1.00 0.00 C ATOM 0 H ILE A 49 4.220 -3.222 2.982 1.00 0.00 H new ATOM 0 HA ILE A 49 5.969 -1.274 4.403 1.00 0.00 H new ATOM 0 HB ILE A 49 5.393 -2.128 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.047 -2.745 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.016 -3.199 3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.445 -0.902 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.220 0.193 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.596 -0.336 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.251 -5.077 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.564 -4.513 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.611 -4.051 0.796 1.00 0.00 H new ATOM 695 N ALA A 50 4.706 0.771 4.204 1.00 0.00 N ATOM 696 CA ALA A 50 3.941 2.037 4.071 1.00 0.00 C ATOM 697 C ALA A 50 4.503 2.850 2.912 1.00 0.00 C ATOM 698 O ALA A 50 5.271 3.777 3.094 1.00 0.00 O ATOM 699 CB ALA A 50 4.095 2.763 5.404 1.00 0.00 C ATOM 0 H ALA A 50 5.387 0.751 4.963 1.00 0.00 H new ATOM 0 HA ALA A 50 2.886 1.869 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.551 3.707 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.693 2.142 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.151 2.959 5.592 1.00 0.00 H new ATOM 705 N VAL A 51 4.125 2.484 1.716 1.00 0.00 N ATOM 706 CA VAL A 51 4.627 3.196 0.501 1.00 0.00 C ATOM 707 C VAL A 51 4.274 4.683 0.563 1.00 0.00 C ATOM 708 O VAL A 51 3.162 5.058 0.890 1.00 0.00 O ATOM 709 CB VAL A 51 3.936 2.527 -0.700 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.217 1.021 -0.694 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.421 2.766 -0.633 1.00 0.00 C ATOM 0 H VAL A 51 3.483 1.714 1.526 1.00 0.00 H new ATOM 0 HA VAL A 51 5.712 3.131 0.423 1.00 0.00 H new ATOM 0 HB VAL A 51 4.329 2.962 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.724 0.556 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.292 0.851 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.835 0.583 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.939 2.289 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.026 2.342 0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.220 3.837 -0.655 1.00 0.00 H new ATOM 721 N TYR A 52 5.214 5.530 0.244 1.00 0.00 N ATOM 722 CA TYR A 52 4.944 6.993 0.269 1.00 0.00 C ATOM 723 C TYR A 52 4.107 7.375 -0.957 1.00 0.00 C ATOM 724 O TYR A 52 4.605 7.404 -2.068 1.00 0.00 O ATOM 725 CB TYR A 52 6.327 7.651 0.212 1.00 0.00 C ATOM 726 CG TYR A 52 6.226 9.101 0.611 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.956 9.438 1.941 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.418 10.107 -0.342 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.872 10.782 2.319 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.335 11.452 0.036 1.00 0.00 C ATOM 731 CZ TYR A 52 6.062 11.790 1.367 1.00 0.00 C ATOM 732 OH TYR A 52 5.984 13.118 1.739 1.00 0.00 O ATOM 0 H TYR A 52 6.160 5.269 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 52 4.388 7.308 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.015 7.129 0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.736 7.570 -0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.812 8.660 2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.630 9.846 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.660 11.042 3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.482 12.229 -0.699 1.00 0.00 H new ATOM 0 HH TYR A 52 5.391 13.596 1.122 1.00 0.00 H new ATOM 742 N ASN A 53 2.840 7.667 -0.769 1.00 0.00 N ATOM 743 CA ASN A 53 1.987 8.047 -1.938 1.00 0.00 C ATOM 744 C ASN A 53 2.260 9.502 -2.362 1.00 0.00 C ATOM 745 O ASN A 53 1.601 10.036 -3.235 1.00 0.00 O ATOM 746 CB ASN A 53 0.535 7.855 -1.468 1.00 0.00 C ATOM 747 CG ASN A 53 0.027 9.113 -0.755 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.301 9.315 0.408 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.710 9.969 -1.410 1.00 0.00 N ATOM 0 H ASN A 53 2.366 7.659 0.134 1.00 0.00 H new ATOM 0 HA ASN A 53 2.199 7.435 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.103 7.633 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.475 7.000 -0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.055 10.808 -0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.941 9.799 -2.389 1.00 0.00 H new ATOM 756 N GLY A 54 3.221 10.144 -1.742 1.00 0.00 N ATOM 757 CA GLY A 54 3.541 11.559 -2.082 1.00 0.00 C ATOM 758 C GLY A 54 3.437 12.392 -0.805 1.00 0.00 C ATOM 759 O GLY A 54 4.122 13.384 -0.637 1.00 0.00 O ATOM 0 H GLY A 54 3.802 9.740 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.544 11.631 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.851 11.934 -2.838 1.00 0.00 H new ATOM 763 N LYS A 55 2.577 11.983 0.094 1.00 0.00 N ATOM 764 CA LYS A 55 2.403 12.727 1.379 1.00 0.00 C ATOM 765 C LYS A 55 2.207 11.768 2.566 1.00 0.00 C ATOM 766 O LYS A 55 2.475 12.121 3.699 1.00 0.00 O ATOM 767 CB LYS A 55 1.145 13.586 1.198 1.00 0.00 C ATOM 768 CG LYS A 55 0.094 12.842 0.361 1.00 0.00 C ATOM 769 CD LYS A 55 -1.273 13.509 0.546 1.00 0.00 C ATOM 770 CE LYS A 55 -2.337 12.439 0.816 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.208 12.438 -0.394 1.00 0.00 N ATOM 0 H LYS A 55 1.984 11.160 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 55 3.288 13.324 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.728 13.839 2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.407 14.525 0.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.377 12.854 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.045 11.797 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.235 14.215 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.534 14.079 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.881 11.462 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.910 12.672 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.960 11.729 -0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.635 13.379 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.638 12.206 -1.232 1.00 0.00 H new ATOM 785 N GLN A 56 1.699 10.582 2.325 1.00 0.00 N ATOM 786 CA GLN A 56 1.435 9.632 3.448 1.00 0.00 C ATOM 787 C GLN A 56 2.106 8.271 3.230 1.00 0.00 C ATOM 788 O GLN A 56 2.356 7.851 2.116 1.00 0.00 O ATOM 789 CB GLN A 56 -0.099 9.526 3.465 1.00 0.00 C ATOM 790 CG GLN A 56 -0.584 8.118 3.086 1.00 0.00 C ATOM 791 CD GLN A 56 -1.287 7.476 4.284 1.00 0.00 C ATOM 792 OE1 GLN A 56 -2.488 7.294 4.270 1.00 0.00 O ATOM 793 NE2 GLN A 56 -0.586 7.122 5.325 1.00 0.00 N ATOM 0 H GLN A 56 1.456 10.233 1.398 1.00 0.00 H new ATOM 0 HA GLN A 56 1.847 9.977 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.469 9.782 4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.520 10.253 2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.267 8.174 2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.261 7.503 2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.422 7.275 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.046 6.692 6.128 1.00 0.00 H new ATOM 802 N HIS A 57 2.363 7.574 4.309 1.00 0.00 N ATOM 803 CA HIS A 57 2.978 6.219 4.224 1.00 0.00 C ATOM 804 C HIS A 57 1.854 5.181 4.324 1.00 0.00 C ATOM 805 O HIS A 57 1.311 4.957 5.389 1.00 0.00 O ATOM 806 CB HIS A 57 3.923 6.086 5.438 1.00 0.00 C ATOM 807 CG HIS A 57 4.542 7.411 5.821 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.834 8.400 4.895 1.00 0.00 N ATOM 809 CD2 HIS A 57 4.927 7.919 7.038 1.00 0.00 C ATOM 810 CE1 HIS A 57 5.365 9.439 5.562 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.445 9.199 6.872 1.00 0.00 N ATOM 0 H HIS A 57 2.169 7.894 5.258 1.00 0.00 H new ATOM 0 HA HIS A 57 3.525 6.069 3.293 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.369 5.686 6.287 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.712 5.370 5.207 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.840 7.402 7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.688 10.357 5.094 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.808 9.820 7.595 1.00 0.00 H new ATOM 819 N VAL A 58 1.485 4.564 3.232 1.00 0.00 N ATOM 820 CA VAL A 58 0.375 3.554 3.279 1.00 0.00 C ATOM 821 C VAL A 58 0.952 2.144 3.473 1.00 0.00 C ATOM 822 O VAL A 58 1.447 1.554 2.531 1.00 0.00 O ATOM 823 CB VAL A 58 -0.335 3.667 1.921 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.536 2.718 1.887 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.825 5.104 1.711 1.00 0.00 C ATOM 0 H VAL A 58 1.899 4.712 2.312 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.310 3.734 4.107 1.00 0.00 H new ATOM 0 HB VAL A 58 0.366 3.400 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.038 2.800 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.194 1.693 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.233 2.984 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.328 5.180 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.522 5.371 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.026 5.785 1.731 1.00 0.00 H new ATOM 835 N PRO A 59 0.882 1.650 4.699 1.00 0.00 N ATOM 836 CA PRO A 59 1.422 0.296 5.025 1.00 0.00 C ATOM 837 C PRO A 59 0.614 -0.767 4.298 1.00 0.00 C ATOM 838 O PRO A 59 -0.387 -1.262 4.784 1.00 0.00 O ATOM 839 CB PRO A 59 1.260 0.196 6.542 1.00 0.00 C ATOM 840 CG PRO A 59 0.162 1.153 6.864 1.00 0.00 C ATOM 841 CD PRO A 59 0.288 2.284 5.879 1.00 0.00 C ATOM 0 HA PRO A 59 2.458 0.149 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.005 -0.819 6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.182 0.462 7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.812 0.671 6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.250 1.517 7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.682 2.727 5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.920 3.083 6.265 1.00 0.00 H new ATOM 849 N VAL A 60 1.045 -1.096 3.119 1.00 0.00 N ATOM 850 CA VAL A 60 0.316 -2.112 2.307 1.00 0.00 C ATOM 851 C VAL A 60 0.936 -3.495 2.472 1.00 0.00 C ATOM 852 O VAL A 60 2.045 -3.737 2.032 1.00 0.00 O ATOM 853 CB VAL A 60 0.454 -1.665 0.844 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.353 -2.613 -0.041 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.073 -0.235 0.679 1.00 0.00 C ATOM 0 H VAL A 60 1.876 -0.705 2.676 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.725 -2.181 2.623 1.00 0.00 H new ATOM 0 HB VAL A 60 1.504 -1.688 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.262 -2.305 -1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.028 -3.628 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.401 -2.584 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.029 0.073 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.124 -0.199 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.500 0.440 1.315 1.00 0.00 H new ATOM 865 N TYR A 61 0.219 -4.420 3.062 1.00 0.00 N ATOM 866 CA TYR A 61 0.774 -5.793 3.186 1.00 0.00 C ATOM 867 C TYR A 61 0.734 -6.431 1.801 1.00 0.00 C ATOM 868 O TYR A 61 -0.313 -6.809 1.308 1.00 0.00 O ATOM 869 CB TYR A 61 -0.122 -6.556 4.161 1.00 0.00 C ATOM 870 CG TYR A 61 0.627 -7.780 4.632 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.020 -8.759 3.707 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.943 -7.929 5.984 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.723 -9.884 4.137 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.649 -9.055 6.416 1.00 0.00 C ATOM 875 CZ TYR A 61 2.039 -10.035 5.492 1.00 0.00 C ATOM 876 OH TYR A 61 2.737 -11.147 5.919 1.00 0.00 O ATOM 0 H TYR A 61 -0.712 -4.283 3.456 1.00 0.00 H new ATOM 0 HA TYR A 61 1.800 -5.800 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.387 -5.923 5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.054 -6.844 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.778 -8.641 2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.642 -7.174 6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.023 -10.638 3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.894 -9.170 7.461 1.00 0.00 H new ATOM 0 HH TYR A 61 2.656 -11.230 6.892 1.00 0.00 H new ATOM 886 N ILE A 62 1.860 -6.514 1.157 1.00 0.00 N ATOM 887 CA ILE A 62 1.897 -7.081 -0.215 1.00 0.00 C ATOM 888 C ILE A 62 1.997 -8.601 -0.178 1.00 0.00 C ATOM 889 O ILE A 62 2.828 -9.160 0.505 1.00 0.00 O ATOM 890 CB ILE A 62 3.153 -6.483 -0.851 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.055 -4.953 -0.834 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.294 -6.982 -2.294 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.113 -4.387 0.118 1.00 0.00 C ATOM 0 H ILE A 62 2.762 -6.212 1.524 1.00 0.00 H new ATOM 0 HA ILE A 62 0.992 -6.845 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 62 4.030 -6.794 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.204 -4.557 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.060 -4.645 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.190 -6.553 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.372 -8.069 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.420 -6.679 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.045 -3.299 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.943 -4.774 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.105 -4.685 -0.222 1.00 0.00 H new ATOM 905 N THR A 63 1.175 -9.262 -0.942 1.00 0.00 N ATOM 906 CA THR A 63 1.238 -10.747 -1.006 1.00 0.00 C ATOM 907 C THR A 63 2.113 -11.122 -2.206 1.00 0.00 C ATOM 908 O THR A 63 2.920 -10.329 -2.655 1.00 0.00 O ATOM 909 CB THR A 63 -0.212 -11.219 -1.207 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.683 -10.787 -2.477 1.00 0.00 O ATOM 911 CG2 THR A 63 -1.106 -10.641 -0.108 1.00 0.00 C ATOM 0 H THR A 63 0.458 -8.835 -1.528 1.00 0.00 H new ATOM 0 HA THR A 63 1.662 -11.205 -0.113 1.00 0.00 H new ATOM 0 HB THR A 63 -0.242 -12.307 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.606 -11.090 -2.604 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.131 -10.980 -0.257 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.750 -10.979 0.865 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.074 -9.552 -0.148 1.00 0.00 H new ATOM 919 N GLU A 64 1.967 -12.302 -2.742 1.00 0.00 N ATOM 920 CA GLU A 64 2.804 -12.676 -3.920 1.00 0.00 C ATOM 921 C GLU A 64 2.102 -12.290 -5.238 1.00 0.00 C ATOM 922 O GLU A 64 2.477 -12.756 -6.299 1.00 0.00 O ATOM 923 CB GLU A 64 2.975 -14.193 -3.822 1.00 0.00 C ATOM 924 CG GLU A 64 4.201 -14.621 -4.633 1.00 0.00 C ATOM 925 CD GLU A 64 3.856 -15.850 -5.478 1.00 0.00 C ATOM 926 OE1 GLU A 64 3.376 -15.669 -6.585 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.077 -16.952 -5.003 1.00 0.00 O ATOM 0 H GLU A 64 1.313 -13.017 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 64 3.762 -12.156 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.093 -14.490 -2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.084 -14.695 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.526 -13.804 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.031 -14.849 -3.964 1.00 0.00 H new ATOM 934 N ASN A 65 1.087 -11.450 -5.189 1.00 0.00 N ATOM 935 CA ASN A 65 0.379 -11.059 -6.452 1.00 0.00 C ATOM 936 C ASN A 65 -0.182 -9.623 -6.381 1.00 0.00 C ATOM 937 O ASN A 65 -1.062 -9.264 -7.142 1.00 0.00 O ATOM 938 CB ASN A 65 -0.761 -12.072 -6.589 1.00 0.00 C ATOM 939 CG ASN A 65 -0.915 -12.478 -8.057 1.00 0.00 C ATOM 940 OD1 ASN A 65 -0.894 -13.649 -8.380 1.00 0.00 O ATOM 941 ND2 ASN A 65 -1.068 -11.554 -8.968 1.00 0.00 N ATOM 0 H ASN A 65 0.724 -11.024 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 65 1.058 -11.068 -7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.555 -12.951 -5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.691 -11.639 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.170 -11.816 -9.948 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.086 -10.570 -8.699 1.00 0.00 H new ATOM 948 N MET A 66 0.316 -8.797 -5.491 1.00 0.00 N ATOM 949 CA MET A 66 -0.193 -7.393 -5.393 1.00 0.00 C ATOM 950 C MET A 66 0.920 -6.389 -5.752 1.00 0.00 C ATOM 951 O MET A 66 0.655 -5.243 -6.055 1.00 0.00 O ATOM 952 CB MET A 66 -0.622 -7.235 -3.934 1.00 0.00 C ATOM 953 CG MET A 66 -1.758 -8.212 -3.614 1.00 0.00 C ATOM 954 SD MET A 66 -3.347 -7.443 -4.016 1.00 0.00 S ATOM 955 CE MET A 66 -4.319 -8.236 -2.713 1.00 0.00 C ATOM 0 H MET A 66 1.054 -9.036 -4.828 1.00 0.00 H new ATOM 0 HA MET A 66 -1.015 -7.200 -6.083 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.226 -7.421 -3.275 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.949 -6.211 -3.751 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.632 -9.132 -4.185 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.731 -8.485 -2.559 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.354 -7.899 -2.774 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.282 -9.318 -2.839 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.908 -7.970 -1.739 1.00 0.00 H new ATOM 965 N VAL A 67 2.162 -6.817 -5.719 1.00 0.00 N ATOM 966 CA VAL A 67 3.307 -5.902 -6.051 1.00 0.00 C ATOM 967 C VAL A 67 3.396 -5.625 -7.561 1.00 0.00 C ATOM 968 O VAL A 67 2.786 -6.304 -8.367 1.00 0.00 O ATOM 969 CB VAL A 67 4.565 -6.661 -5.598 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.603 -8.049 -6.249 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.811 -5.884 -6.027 1.00 0.00 C ATOM 0 H VAL A 67 2.435 -7.769 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 67 3.187 -4.935 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 67 4.542 -6.766 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.497 -8.580 -5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.718 -8.613 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.620 -7.942 -7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.703 -6.421 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.820 -5.781 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.799 -4.895 -5.569 1.00 0.00 H new ATOM 981 N GLY A 68 4.186 -4.643 -7.940 1.00 0.00 N ATOM 982 CA GLY A 68 4.365 -4.327 -9.385 1.00 0.00 C ATOM 983 C GLY A 68 3.956 -2.883 -9.690 1.00 0.00 C ATOM 984 O GLY A 68 4.214 -2.391 -10.773 1.00 0.00 O ATOM 0 H GLY A 68 4.714 -4.048 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.407 -4.480 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.768 -5.012 -9.987 1.00 0.00 H new ATOM 988 N HIS A 69 3.302 -2.201 -8.777 1.00 0.00 N ATOM 989 CA HIS A 69 2.869 -0.811 -9.073 1.00 0.00 C ATOM 990 C HIS A 69 3.321 0.158 -7.974 1.00 0.00 C ATOM 991 O HIS A 69 4.307 0.851 -8.119 1.00 0.00 O ATOM 992 CB HIS A 69 1.340 -0.895 -9.134 1.00 0.00 C ATOM 993 CG HIS A 69 0.927 -1.732 -10.320 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.104 -1.240 -11.321 1.00 0.00 N ATOM 995 CD2 HIS A 69 1.216 -3.031 -10.678 1.00 0.00 C ATOM 996 CE1 HIS A 69 -0.071 -2.224 -12.223 1.00 0.00 C ATOM 997 NE2 HIS A 69 0.584 -3.337 -11.879 1.00 0.00 N ATOM 0 H HIS A 69 3.055 -2.549 -7.851 1.00 0.00 H new ATOM 0 HA HIS A 69 3.303 -0.432 -9.998 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.953 -1.333 -8.214 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.914 0.105 -9.215 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.838 -3.708 -10.112 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.669 -2.126 -13.117 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.614 -4.221 -12.388 1.00 0.00 H new ATOM 1005 N LYS A 70 2.589 0.220 -6.891 1.00 0.00 N ATOM 1006 CA LYS A 70 2.940 1.149 -5.762 1.00 0.00 C ATOM 1007 C LYS A 70 1.886 1.054 -4.654 1.00 0.00 C ATOM 1008 O LYS A 70 2.172 1.221 -3.483 1.00 0.00 O ATOM 1009 CB LYS A 70 2.968 2.572 -6.348 1.00 0.00 C ATOM 1010 CG LYS A 70 1.808 2.765 -7.326 1.00 0.00 C ATOM 1011 CD LYS A 70 0.613 3.386 -6.599 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.142 4.319 -7.553 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.378 3.575 -7.931 1.00 0.00 N ATOM 0 H LYS A 70 1.751 -0.339 -6.735 1.00 0.00 H new ATOM 0 HA LYS A 70 3.904 0.888 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.901 3.305 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.916 2.744 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.118 3.408 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.523 1.807 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.053 2.602 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.955 3.942 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.384 5.265 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.459 4.555 -8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.945 4.153 -8.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.117 2.682 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.935 3.370 -7.077 1.00 0.00 H new ATOM 1027 N LEU A 71 0.673 0.784 -5.052 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.489 0.661 -4.105 1.00 0.00 C ATOM 1029 C LEU A 71 -1.818 0.492 -4.885 1.00 0.00 C ATOM 1030 O LEU A 71 -2.818 0.089 -4.321 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.511 1.964 -3.272 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.305 3.064 -3.995 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.733 3.115 -3.443 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.624 4.415 -3.762 1.00 0.00 C ATOM 0 H LEU A 71 0.424 0.637 -6.030 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.383 -0.216 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.957 1.769 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.509 2.304 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.337 2.846 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.294 3.895 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.220 2.153 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.703 3.333 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.184 5.198 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.595 4.628 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.393 4.382 -4.153 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.839 0.802 -6.173 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.095 0.667 -6.974 1.00 0.00 C ATOM 1048 C GLY A 72 -3.420 -0.811 -7.218 1.00 0.00 C ATOM 1049 O GLY A 72 -4.534 -1.152 -7.563 1.00 0.00 O ATOM 0 H GLY A 72 -1.033 1.143 -6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.922 1.145 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.982 1.183 -7.928 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.471 -1.692 -7.018 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.744 -3.151 -7.214 1.00 0.00 C ATOM 1055 C GLU A 73 -3.371 -3.713 -5.943 1.00 0.00 C ATOM 1056 O GLU A 73 -4.039 -4.731 -5.958 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.381 -3.796 -7.456 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.037 -3.725 -8.941 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.961 -4.653 -9.735 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -1.758 -5.855 -9.671 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -2.853 -4.146 -10.395 1.00 0.00 O ATOM 0 H GLU A 73 -1.520 -1.465 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.426 -3.340 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.617 -3.285 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.395 -4.834 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.141 -2.701 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.003 -4.013 -9.097 1.00 0.00 H new