USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=17 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+ 164:sc= 0.284 (180deg=0) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0.147 USER MOD Set 2.1: A 23 ASN : amide:sc= 0.151 X(o=-2.5,f=-2.4) USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.65! C(o=-2.5!,f=-2.4!) USER MOD Set 3.1: A 14 HIS : no HD1:sc= -0.0109 X(o=0.41,f=0.21) USER MOD Set 3.2: A 18 LYS NZ :NH3+ -168:sc= 0.425 (180deg=0.28) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= 0.291 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -21:sc= -1.12 USER MOD Single : A 35 SER OG : rot -90:sc= -0.904 USER MOD Single : A 38 SER OG : rot -84:sc= 0.996 USER MOD Single : A 39 THR OG1 : rot 64:sc= 0.777 USER MOD Single : A 44 MET CE :methyl 159:sc= -14.5! (180deg=-16.9!) USER MOD Single : A 48 THR OG1 : rot -74:sc= 0.253 USER MOD Single : A 52 TYR OH : rot -106:sc= 1.08 USER MOD Single : A 53 ASN : amide:sc= -0.51 K(o=-0.51,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.513 F(o=-1.1,f=-0.51) USER MOD Single : A 57 HIS : no HE2:sc= -6.54! C(o=-6.5!,f=-6.3!) USER MOD Single : A 63 THR OG1 : rot -70:sc= 1.04 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 157:sc=-0.00642 (180deg=-0.105) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -3.19! C(o=-5.4!,f=-3.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.0364 (180deg=-0.0364) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 11.158 3.447 -10.317 1.00 0.00 N ATOM 25 CA PHE A 10 11.873 3.363 -9.012 1.00 0.00 C ATOM 26 C PHE A 10 11.067 2.539 -8.000 1.00 0.00 C ATOM 27 O PHE A 10 9.859 2.434 -8.085 1.00 0.00 O ATOM 28 CB PHE A 10 11.997 4.820 -8.539 1.00 0.00 C ATOM 29 CG PHE A 10 12.114 4.869 -7.024 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.956 4.889 -6.233 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.375 4.872 -6.415 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.057 4.913 -4.837 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.477 4.895 -5.019 1.00 0.00 C ATOM 34 CZ PHE A 10 12.322 4.914 -4.229 1.00 0.00 C ATOM 0 HA PHE A 10 12.842 2.873 -9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.871 5.285 -8.994 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.127 5.391 -8.863 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.983 4.886 -6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.268 4.857 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.164 4.931 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.450 4.898 -4.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.404 4.929 -3.152 1.00 0.00 H new ATOM 44 N VAL A 11 11.743 1.995 -7.022 1.00 0.00 N ATOM 45 CA VAL A 11 11.059 1.210 -5.954 1.00 0.00 C ATOM 46 C VAL A 11 11.668 1.602 -4.605 1.00 0.00 C ATOM 47 O VAL A 11 12.859 1.458 -4.408 1.00 0.00 O ATOM 48 CB VAL A 11 11.322 -0.273 -6.272 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.822 -0.526 -6.468 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.813 -1.139 -5.113 1.00 0.00 C ATOM 0 H VAL A 11 12.755 2.063 -6.917 1.00 0.00 H new ATOM 0 HA VAL A 11 9.986 1.399 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 11 10.798 -0.531 -7.192 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.987 -1.580 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 11 13.189 0.082 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.358 -0.260 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.998 -2.190 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.336 -0.865 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.743 -0.979 -4.982 1.00 0.00 H new ATOM 60 N ASP A 12 10.861 2.124 -3.701 1.00 0.00 N ATOM 61 CA ASP A 12 11.366 2.568 -2.353 1.00 0.00 C ATOM 62 C ASP A 12 12.663 1.850 -1.956 1.00 0.00 C ATOM 63 O ASP A 12 12.640 0.729 -1.479 1.00 0.00 O ATOM 64 CB ASP A 12 10.261 2.202 -1.361 1.00 0.00 C ATOM 65 CG ASP A 12 9.006 3.025 -1.626 1.00 0.00 C ATOM 66 OD1 ASP A 12 9.035 4.208 -1.346 1.00 0.00 O ATOM 67 OD2 ASP A 12 8.035 2.451 -2.088 1.00 0.00 O ATOM 0 H ASP A 12 9.860 2.263 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 12 11.592 3.634 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.029 1.140 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.608 2.376 -0.342 1.00 0.00 H new ATOM 72 N ASP A 13 13.790 2.497 -2.128 1.00 0.00 N ATOM 73 CA ASP A 13 15.079 1.870 -1.742 1.00 0.00 C ATOM 74 C ASP A 13 15.144 1.797 -0.217 1.00 0.00 C ATOM 75 O ASP A 13 15.790 0.938 0.353 1.00 0.00 O ATOM 76 CB ASP A 13 16.167 2.794 -2.298 1.00 0.00 C ATOM 77 CG ASP A 13 16.547 2.340 -3.711 1.00 0.00 C ATOM 78 OD1 ASP A 13 15.816 2.662 -4.633 1.00 0.00 O ATOM 79 OD2 ASP A 13 17.563 1.678 -3.845 1.00 0.00 O ATOM 0 H ASP A 13 13.866 3.435 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 13 15.199 0.858 -2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.810 3.824 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.043 2.774 -1.650 1.00 0.00 H new ATOM 84 N HIS A 14 14.445 2.693 0.438 1.00 0.00 N ATOM 85 CA HIS A 14 14.411 2.697 1.923 1.00 0.00 C ATOM 86 C HIS A 14 13.497 1.571 2.435 1.00 0.00 C ATOM 87 O HIS A 14 13.529 1.219 3.598 1.00 0.00 O ATOM 88 CB HIS A 14 13.843 4.071 2.292 1.00 0.00 C ATOM 89 CG HIS A 14 14.823 4.810 3.161 1.00 0.00 C ATOM 90 ND1 HIS A 14 16.125 5.065 2.757 1.00 0.00 N ATOM 91 CD2 HIS A 14 14.705 5.356 4.415 1.00 0.00 C ATOM 92 CE1 HIS A 14 16.732 5.737 3.752 1.00 0.00 C ATOM 93 NE2 HIS A 14 15.912 5.942 4.786 1.00 0.00 N ATOM 0 H HIS A 14 13.892 3.428 -0.004 1.00 0.00 H new ATOM 0 HA HIS A 14 15.392 2.528 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.639 4.645 1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.894 3.954 2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.812 5.334 5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.759 6.070 3.719 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.124 6.424 5.659 1.00 0.00 H new ATOM 101 N LEU A 15 12.697 0.996 1.568 1.00 0.00 N ATOM 102 CA LEU A 15 11.799 -0.118 1.987 1.00 0.00 C ATOM 103 C LEU A 15 12.575 -1.438 1.871 1.00 0.00 C ATOM 104 O LEU A 15 12.420 -2.336 2.675 1.00 0.00 O ATOM 105 CB LEU A 15 10.600 -0.037 1.016 1.00 0.00 C ATOM 106 CG LEU A 15 10.384 -1.354 0.260 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.861 -2.415 1.229 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.353 -1.136 -0.852 1.00 0.00 C ATOM 0 H LEU A 15 12.630 1.255 0.584 1.00 0.00 H new ATOM 0 HA LEU A 15 11.452 -0.055 3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.698 0.213 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.766 0.769 0.301 1.00 0.00 H new ATOM 0 HG LEU A 15 11.328 -1.686 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.707 -3.352 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.587 -2.568 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.916 -2.082 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.197 -2.070 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.410 -0.808 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.717 -0.375 -1.542 1.00 0.00 H new ATOM 120 N LEU A 16 13.427 -1.538 0.883 1.00 0.00 N ATOM 121 CA LEU A 16 14.248 -2.773 0.701 1.00 0.00 C ATOM 122 C LEU A 16 15.295 -2.869 1.801 1.00 0.00 C ATOM 123 O LEU A 16 15.501 -3.919 2.376 1.00 0.00 O ATOM 124 CB LEU A 16 14.922 -2.608 -0.648 1.00 0.00 C ATOM 125 CG LEU A 16 13.957 -3.080 -1.721 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.769 -1.968 -2.749 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.523 -4.331 -2.384 1.00 0.00 C ATOM 0 H LEU A 16 13.590 -0.810 0.188 1.00 0.00 H new ATOM 0 HA LEU A 16 13.643 -3.678 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.193 -1.565 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.845 -3.187 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 16 12.989 -3.320 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.077 -2.301 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.366 -1.083 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.730 -1.725 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.835 -4.676 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.488 -4.099 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.651 -5.113 -1.636 1.00 0.00 H new ATOM 139 N GLU A 17 15.949 -1.771 2.105 1.00 0.00 N ATOM 140 CA GLU A 17 16.987 -1.784 3.188 1.00 0.00 C ATOM 141 C GLU A 17 16.409 -2.365 4.493 1.00 0.00 C ATOM 142 O GLU A 17 17.142 -2.801 5.360 1.00 0.00 O ATOM 143 CB GLU A 17 17.408 -0.322 3.372 1.00 0.00 C ATOM 144 CG GLU A 17 16.234 0.479 3.920 1.00 0.00 C ATOM 145 CD GLU A 17 16.701 1.385 5.062 1.00 0.00 C ATOM 146 OE1 GLU A 17 17.042 0.858 6.110 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.706 2.590 4.872 1.00 0.00 O ATOM 0 H GLU A 17 15.809 -0.868 1.651 1.00 0.00 H new ATOM 0 HA GLU A 17 17.838 -2.413 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.255 -0.260 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.735 0.096 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.792 1.081 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.457 -0.198 4.277 1.00 0.00 H new ATOM 154 N LYS A 18 15.101 -2.383 4.630 1.00 0.00 N ATOM 155 CA LYS A 18 14.470 -2.944 5.860 1.00 0.00 C ATOM 156 C LYS A 18 13.833 -4.307 5.553 1.00 0.00 C ATOM 157 O LYS A 18 13.790 -5.180 6.398 1.00 0.00 O ATOM 158 CB LYS A 18 13.394 -1.927 6.248 1.00 0.00 C ATOM 159 CG LYS A 18 14.039 -0.732 6.955 1.00 0.00 C ATOM 160 CD LYS A 18 13.112 0.482 6.852 1.00 0.00 C ATOM 161 CE LYS A 18 13.868 1.745 7.277 1.00 0.00 C ATOM 162 NZ LYS A 18 13.561 2.758 6.227 1.00 0.00 N ATOM 0 H LYS A 18 14.444 -2.029 3.935 1.00 0.00 H new ATOM 0 HA LYS A 18 15.192 -3.103 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.861 -1.591 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.658 -2.394 6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.226 -0.972 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.004 -0.505 6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.750 0.590 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.237 0.339 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.543 2.086 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.940 1.559 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.196 3.574 6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.698 2.336 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.574 3.072 6.325 1.00 0.00 H new ATOM 176 N VAL A 19 13.333 -4.492 4.350 1.00 0.00 N ATOM 177 CA VAL A 19 12.693 -5.796 3.990 1.00 0.00 C ATOM 178 C VAL A 19 13.744 -6.893 3.798 1.00 0.00 C ATOM 179 O VAL A 19 13.551 -8.014 4.227 1.00 0.00 O ATOM 180 CB VAL A 19 11.933 -5.539 2.685 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.835 -5.820 1.478 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.714 -6.459 2.641 1.00 0.00 C ATOM 0 H VAL A 19 13.342 -3.795 3.605 1.00 0.00 H new ATOM 0 HA VAL A 19 12.029 -6.143 4.782 1.00 0.00 H new ATOM 0 HB VAL A 19 11.619 -4.496 2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.281 -5.633 0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.707 -5.167 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.160 -6.860 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.162 -6.288 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.041 -7.498 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.068 -6.248 3.494 1.00 0.00 H new ATOM 192 N LEU A 20 14.858 -6.583 3.172 1.00 0.00 N ATOM 193 CA LEU A 20 15.912 -7.625 2.988 1.00 0.00 C ATOM 194 C LEU A 20 16.359 -8.093 4.369 1.00 0.00 C ATOM 195 O LEU A 20 16.785 -9.217 4.549 1.00 0.00 O ATOM 196 CB LEU A 20 17.059 -6.956 2.209 1.00 0.00 C ATOM 197 CG LEU A 20 17.733 -5.868 3.053 1.00 0.00 C ATOM 198 CD1 LEU A 20 18.912 -6.467 3.827 1.00 0.00 C ATOM 199 CD2 LEU A 20 18.246 -4.765 2.125 1.00 0.00 C ATOM 0 H LEU A 20 15.078 -5.665 2.786 1.00 0.00 H new ATOM 0 HA LEU A 20 15.561 -8.497 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.795 -7.707 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.672 -6.520 1.288 1.00 0.00 H new ATOM 0 HG LEU A 20 17.012 -5.456 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.387 -5.689 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.552 -7.260 4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.637 -6.879 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.727 -3.986 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.967 -5.186 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.410 -4.336 1.572 1.00 0.00 H new ATOM 211 N GLU A 21 16.216 -7.237 5.353 1.00 0.00 N ATOM 212 CA GLU A 21 16.578 -7.621 6.734 1.00 0.00 C ATOM 213 C GLU A 21 15.464 -8.501 7.311 1.00 0.00 C ATOM 214 O GLU A 21 15.719 -9.443 8.037 1.00 0.00 O ATOM 215 CB GLU A 21 16.683 -6.310 7.510 1.00 0.00 C ATOM 216 CG GLU A 21 18.110 -5.766 7.407 1.00 0.00 C ATOM 217 CD GLU A 21 18.297 -4.625 8.412 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.909 -3.512 8.095 1.00 0.00 O ATOM 219 OE2 GLU A 21 18.826 -4.884 9.480 1.00 0.00 O ATOM 0 H GLU A 21 15.861 -6.286 5.248 1.00 0.00 H new ATOM 0 HA GLU A 21 17.511 -8.183 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.976 -5.582 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.419 -6.472 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.829 -6.561 7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.302 -5.409 6.395 1.00 0.00 H new ATOM 226 N LEU A 22 14.225 -8.209 6.968 1.00 0.00 N ATOM 227 CA LEU A 22 13.086 -9.035 7.470 1.00 0.00 C ATOM 228 C LEU A 22 13.087 -10.395 6.766 1.00 0.00 C ATOM 229 O LEU A 22 12.663 -11.389 7.320 1.00 0.00 O ATOM 230 CB LEU A 22 11.822 -8.239 7.115 1.00 0.00 C ATOM 231 CG LEU A 22 11.693 -6.985 8.002 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.225 -6.780 8.377 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.519 -7.141 9.285 1.00 0.00 C ATOM 0 H LEU A 22 13.960 -7.433 6.362 1.00 0.00 H new ATOM 0 HA LEU A 22 13.149 -9.226 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.855 -7.945 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.943 -8.870 7.241 1.00 0.00 H new ATOM 0 HG LEU A 22 12.065 -6.125 7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.130 -5.894 9.004 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.633 -6.648 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.864 -7.652 8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.414 -6.245 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.162 -8.006 9.844 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.568 -7.283 9.027 1.00 0.00 H new ATOM 245 N ASN A 23 13.590 -10.445 5.558 1.00 0.00 N ATOM 246 CA ASN A 23 13.657 -11.742 4.822 1.00 0.00 C ATOM 247 C ASN A 23 14.917 -12.512 5.248 1.00 0.00 C ATOM 248 O ASN A 23 15.073 -13.679 4.942 1.00 0.00 O ATOM 249 CB ASN A 23 13.731 -11.362 3.339 1.00 0.00 C ATOM 250 CG ASN A 23 12.322 -11.086 2.808 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.574 -12.002 2.529 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.923 -9.851 2.654 1.00 0.00 N ATOM 0 H ASN A 23 13.958 -9.641 5.050 1.00 0.00 H new ATOM 0 HA ASN A 23 12.800 -12.383 5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.358 -10.480 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.194 -12.168 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.986 -9.658 2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.549 -9.080 2.887 1.00 0.00 H new ATOM 259 N ALA A 24 15.811 -11.861 5.960 1.00 0.00 N ATOM 260 CA ALA A 24 17.053 -12.525 6.421 1.00 0.00 C ATOM 261 C ALA A 24 16.826 -13.166 7.791 1.00 0.00 C ATOM 262 O ALA A 24 17.333 -14.236 8.075 1.00 0.00 O ATOM 263 CB ALA A 24 18.081 -11.401 6.528 1.00 0.00 C ATOM 0 H ALA A 24 15.721 -10.884 6.240 1.00 0.00 H new ATOM 0 HA ALA A 24 17.377 -13.316 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.033 -11.810 6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.212 -10.933 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.732 -10.656 7.243 1.00 0.00 H new ATOM 269 N LYS A 25 16.062 -12.520 8.640 1.00 0.00 N ATOM 270 CA LYS A 25 15.792 -13.089 9.990 1.00 0.00 C ATOM 271 C LYS A 25 14.454 -13.838 9.981 1.00 0.00 C ATOM 272 O LYS A 25 14.224 -14.724 10.784 1.00 0.00 O ATOM 273 CB LYS A 25 15.760 -11.879 10.936 1.00 0.00 C ATOM 274 CG LYS A 25 14.491 -11.048 10.707 1.00 0.00 C ATOM 275 CD LYS A 25 14.805 -9.563 10.908 1.00 0.00 C ATOM 276 CE LYS A 25 14.953 -9.261 12.404 1.00 0.00 C ATOM 277 NZ LYS A 25 14.383 -7.896 12.584 1.00 0.00 N ATOM 0 H LYS A 25 15.615 -11.623 8.452 1.00 0.00 H new ATOM 0 HA LYS A 25 16.546 -13.810 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.797 -12.219 11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.642 -11.259 10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.111 -11.216 9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.709 -11.361 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.723 -9.302 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.009 -8.953 10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.419 -9.994 13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.998 -9.295 12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.931 -7.383 13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.427 -7.380 11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.392 -7.971 12.892 1.00 0.00 H new ATOM 291 N GLY A 26 13.576 -13.489 9.072 1.00 0.00 N ATOM 292 CA GLY A 26 12.253 -14.176 8.995 1.00 0.00 C ATOM 293 C GLY A 26 11.193 -13.333 9.707 1.00 0.00 C ATOM 294 O GLY A 26 10.233 -13.855 10.239 1.00 0.00 O ATOM 0 H GLY A 26 13.721 -12.755 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.971 -14.328 7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.317 -15.162 9.455 1.00 0.00 H new ATOM 298 N GLU A 27 11.361 -12.032 9.724 1.00 0.00 N ATOM 299 CA GLU A 27 10.361 -11.158 10.407 1.00 0.00 C ATOM 300 C GLU A 27 9.301 -10.670 9.414 1.00 0.00 C ATOM 301 O GLU A 27 9.617 -10.144 8.364 1.00 0.00 O ATOM 302 CB GLU A 27 11.165 -9.976 10.953 1.00 0.00 C ATOM 303 CG GLU A 27 11.572 -10.261 12.399 1.00 0.00 C ATOM 304 CD GLU A 27 10.864 -9.278 13.335 1.00 0.00 C ATOM 305 OE1 GLU A 27 9.718 -9.531 13.672 1.00 0.00 O ATOM 306 OE2 GLU A 27 11.478 -8.288 13.698 1.00 0.00 O ATOM 0 H GLU A 27 12.145 -11.541 9.295 1.00 0.00 H new ATOM 0 HA GLU A 27 9.831 -11.691 11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.051 -9.811 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.570 -9.064 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.311 -11.285 12.666 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.653 -10.169 12.508 1.00 0.00 H new ATOM 313 N LYS A 28 8.046 -10.833 9.749 1.00 0.00 N ATOM 314 CA LYS A 28 6.955 -10.371 8.840 1.00 0.00 C ATOM 315 C LYS A 28 6.298 -9.119 9.435 1.00 0.00 C ATOM 316 O LYS A 28 5.174 -9.151 9.902 1.00 0.00 O ATOM 317 CB LYS A 28 5.964 -11.538 8.775 1.00 0.00 C ATOM 318 CG LYS A 28 6.402 -12.516 7.682 1.00 0.00 C ATOM 319 CD LYS A 28 5.201 -13.353 7.229 1.00 0.00 C ATOM 320 CE LYS A 28 5.356 -13.715 5.748 1.00 0.00 C ATOM 321 NZ LYS A 28 4.053 -13.353 5.117 1.00 0.00 N ATOM 0 H LYS A 28 7.730 -11.268 10.616 1.00 0.00 H new ATOM 0 HA LYS A 28 7.314 -10.105 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.921 -12.047 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.961 -11.167 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.817 -11.969 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.191 -13.167 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.129 -14.260 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.277 -12.795 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.180 -13.165 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.573 -14.776 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.167 -13.314 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.339 -14.069 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.744 -12.424 5.467 1.00 0.00 H new ATOM 335 N ARG A 29 7.007 -8.018 9.425 1.00 0.00 N ATOM 336 CA ARG A 29 6.454 -6.753 9.993 1.00 0.00 C ATOM 337 C ARG A 29 6.149 -5.761 8.865 1.00 0.00 C ATOM 338 O ARG A 29 5.879 -6.151 7.743 1.00 0.00 O ATOM 339 CB ARG A 29 7.567 -6.222 10.905 1.00 0.00 C ATOM 340 CG ARG A 29 6.965 -5.698 12.212 1.00 0.00 C ATOM 341 CD ARG A 29 7.313 -6.655 13.359 1.00 0.00 C ATOM 342 NE ARG A 29 8.779 -6.487 13.575 1.00 0.00 N ATOM 343 CZ ARG A 29 9.218 -5.873 14.641 1.00 0.00 C ATOM 344 NH1 ARG A 29 9.532 -6.560 15.708 1.00 0.00 N ATOM 345 NH2 ARG A 29 9.346 -4.571 14.639 1.00 0.00 N ATOM 0 H ARG A 29 7.951 -7.942 9.045 1.00 0.00 H new ATOM 0 HA ARG A 29 5.521 -6.905 10.536 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.284 -7.015 11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.113 -5.425 10.401 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.350 -4.701 12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.883 -5.608 12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.751 -6.410 14.261 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.068 -7.685 13.101 1.00 0.00 H new ATOM 0 HE ARG A 29 9.440 -6.852 12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.434 -7.575 15.708 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.875 -6.081 16.541 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.103 -4.036 13.805 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.689 -4.091 15.471 1.00 0.00 H new ATOM 359 N LEU A 30 6.188 -4.484 9.153 1.00 0.00 N ATOM 360 CA LEU A 30 5.899 -3.471 8.099 1.00 0.00 C ATOM 361 C LEU A 30 7.160 -2.643 7.792 1.00 0.00 C ATOM 362 O LEU A 30 8.052 -2.519 8.613 1.00 0.00 O ATOM 363 CB LEU A 30 4.762 -2.609 8.686 1.00 0.00 C ATOM 364 CG LEU A 30 5.317 -1.361 9.381 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.916 -0.112 8.592 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.747 -1.277 10.800 1.00 0.00 C ATOM 0 H LEU A 30 6.408 -4.102 10.073 1.00 0.00 H new ATOM 0 HA LEU A 30 5.604 -3.917 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.079 -2.312 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.185 -3.199 9.398 1.00 0.00 H new ATOM 0 HG LEU A 30 6.404 -1.423 9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.312 0.774 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.321 -0.174 7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.829 -0.046 8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.140 -0.390 11.298 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.660 -1.215 10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.035 -2.166 11.361 1.00 0.00 H new ATOM 378 N ILE A 31 7.232 -2.078 6.613 1.00 0.00 N ATOM 379 CA ILE A 31 8.418 -1.250 6.226 1.00 0.00 C ATOM 380 C ILE A 31 7.938 0.040 5.549 1.00 0.00 C ATOM 381 O ILE A 31 7.325 0.007 4.501 1.00 0.00 O ATOM 382 CB ILE A 31 9.221 -2.120 5.245 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.815 -3.319 5.994 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.354 -1.294 4.626 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.642 -4.585 5.154 1.00 0.00 C ATOM 0 H ILE A 31 6.513 -2.155 5.894 1.00 0.00 H new ATOM 0 HA ILE A 31 9.026 -0.960 7.083 1.00 0.00 H new ATOM 0 HB ILE A 31 8.559 -2.473 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.872 -3.147 6.197 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.321 -3.440 6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.920 -1.915 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.933 -0.443 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.016 -0.936 5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.065 -5.436 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.581 -4.760 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.157 -4.462 4.201 1.00 0.00 H new ATOM 397 N LYS A 32 8.206 1.173 6.143 1.00 0.00 N ATOM 398 CA LYS A 32 7.752 2.466 5.536 1.00 0.00 C ATOM 399 C LYS A 32 8.921 3.192 4.857 1.00 0.00 C ATOM 400 O LYS A 32 10.059 3.087 5.276 1.00 0.00 O ATOM 401 CB LYS A 32 7.187 3.301 6.697 1.00 0.00 C ATOM 402 CG LYS A 32 8.198 3.387 7.848 1.00 0.00 C ATOM 403 CD LYS A 32 7.781 2.427 8.968 1.00 0.00 C ATOM 404 CE LYS A 32 9.004 2.071 9.821 1.00 0.00 C ATOM 405 NZ LYS A 32 9.105 3.159 10.836 1.00 0.00 N ATOM 0 H LYS A 32 8.718 1.262 7.020 1.00 0.00 H new ATOM 0 HA LYS A 32 7.001 2.301 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.943 4.303 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.259 2.854 7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.196 3.133 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.246 4.407 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.013 2.888 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.346 1.523 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.882 1.098 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.906 2.016 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.921 2.981 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.228 4.073 10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.236 3.183 11.407 1.00 0.00 H new ATOM 419 N THR A 33 8.641 3.924 3.804 1.00 0.00 N ATOM 420 CA THR A 33 9.727 4.662 3.080 1.00 0.00 C ATOM 421 C THR A 33 9.250 6.069 2.704 1.00 0.00 C ATOM 422 O THR A 33 8.070 6.317 2.597 1.00 0.00 O ATOM 423 CB THR A 33 10.001 3.836 1.821 1.00 0.00 C ATOM 424 OG1 THR A 33 10.506 2.565 2.199 1.00 0.00 O ATOM 425 CG2 THR A 33 11.029 4.552 0.938 1.00 0.00 C ATOM 0 H THR A 33 7.706 4.043 3.414 1.00 0.00 H new ATOM 0 HA THR A 33 10.622 4.781 3.691 1.00 0.00 H new ATOM 0 HB THR A 33 9.074 3.715 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.876 2.616 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.218 3.957 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.642 5.529 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.959 4.680 1.492 1.00 0.00 H new ATOM 433 N TRP A 34 10.167 6.984 2.502 1.00 0.00 N ATOM 434 CA TRP A 34 9.779 8.381 2.129 1.00 0.00 C ATOM 435 C TRP A 34 10.352 8.736 0.751 1.00 0.00 C ATOM 436 O TRP A 34 10.903 9.805 0.556 1.00 0.00 O ATOM 437 CB TRP A 34 10.405 9.271 3.209 1.00 0.00 C ATOM 438 CG TRP A 34 9.785 8.984 4.540 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.832 9.737 5.127 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.063 7.886 5.456 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.509 9.177 6.350 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.242 8.032 6.597 1.00 0.00 C ATOM 443 CE3 TRP A 34 10.941 6.791 5.406 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.291 7.123 7.654 1.00 0.00 C ATOM 445 CZ3 TRP A 34 10.993 5.872 6.466 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.170 6.038 7.588 1.00 0.00 C ATOM 0 H TRP A 34 11.171 6.823 2.580 1.00 0.00 H new ATOM 0 HA TRP A 34 8.698 8.507 2.072 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.480 9.097 3.256 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.263 10.321 2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.393 10.631 4.710 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.815 9.562 6.991 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.580 6.655 4.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.655 7.256 8.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 11.671 5.033 6.416 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.215 5.328 8.401 1.00 0.00 H new ATOM 457 N SER A 35 10.237 7.846 -0.203 1.00 0.00 N ATOM 458 CA SER A 35 10.789 8.132 -1.564 1.00 0.00 C ATOM 459 C SER A 35 9.794 8.950 -2.401 1.00 0.00 C ATOM 460 O SER A 35 8.831 9.484 -1.890 1.00 0.00 O ATOM 461 CB SER A 35 11.024 6.759 -2.187 1.00 0.00 C ATOM 462 OG SER A 35 11.972 6.047 -1.403 1.00 0.00 O ATOM 0 H SER A 35 9.787 6.937 -0.100 1.00 0.00 H new ATOM 0 HA SER A 35 11.703 8.724 -1.518 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.087 6.205 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.387 6.867 -3.209 1.00 0.00 H new ATOM 0 HG SER A 35 12.875 6.231 -1.735 1.00 0.00 H new ATOM 468 N ARG A 36 10.031 9.053 -3.686 1.00 0.00 N ATOM 469 CA ARG A 36 9.111 9.841 -4.567 1.00 0.00 C ATOM 470 C ARG A 36 8.189 8.899 -5.354 1.00 0.00 C ATOM 471 O ARG A 36 6.983 8.933 -5.198 1.00 0.00 O ATOM 472 CB ARG A 36 10.030 10.619 -5.514 1.00 0.00 C ATOM 473 CG ARG A 36 9.591 12.085 -5.565 1.00 0.00 C ATOM 474 CD ARG A 36 10.528 12.870 -6.487 1.00 0.00 C ATOM 475 NE ARG A 36 9.995 12.651 -7.863 1.00 0.00 N ATOM 476 CZ ARG A 36 9.304 13.589 -8.455 1.00 0.00 C ATOM 477 NH1 ARG A 36 7.999 13.595 -8.364 1.00 0.00 N ATOM 478 NH2 ARG A 36 9.918 14.520 -9.138 1.00 0.00 N ATOM 0 H ARG A 36 10.823 8.625 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 36 8.465 10.507 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.063 10.550 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.994 10.183 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.565 12.156 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.606 12.515 -4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.535 13.930 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.555 12.514 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 36 10.170 11.768 -8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.522 12.868 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.459 14.327 -8.826 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.936 14.514 -9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.379 15.252 -9.600 1.00 0.00 H new ATOM 492 N ARG A 37 8.747 8.049 -6.186 1.00 0.00 N ATOM 493 CA ARG A 37 7.903 7.094 -6.972 1.00 0.00 C ATOM 494 C ARG A 37 7.768 5.769 -6.202 1.00 0.00 C ATOM 495 O ARG A 37 7.844 4.696 -6.767 1.00 0.00 O ATOM 496 CB ARG A 37 8.658 6.893 -8.290 1.00 0.00 C ATOM 497 CG ARG A 37 7.715 6.299 -9.340 1.00 0.00 C ATOM 498 CD ARG A 37 8.261 4.949 -9.808 1.00 0.00 C ATOM 499 NE ARG A 37 7.311 4.487 -10.859 1.00 0.00 N ATOM 500 CZ ARG A 37 6.434 3.556 -10.588 1.00 0.00 C ATOM 501 NH1 ARG A 37 6.724 2.300 -10.813 1.00 0.00 N ATOM 502 NH2 ARG A 37 5.268 3.880 -10.091 1.00 0.00 N ATOM 0 H ARG A 37 9.751 7.976 -6.354 1.00 0.00 H new ATOM 0 HA ARG A 37 6.892 7.464 -7.144 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.055 7.845 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.509 6.230 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.717 6.174 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.621 6.979 -10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.271 5.049 -10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.313 4.238 -8.984 1.00 0.00 H new ATOM 0 HE ARG A 37 7.345 4.898 -11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.634 2.048 -11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.040 1.573 -10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.043 4.859 -9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.584 3.153 -9.880 1.00 0.00 H new ATOM 516 N SER A 38 7.582 5.864 -4.907 1.00 0.00 N ATOM 517 CA SER A 38 7.450 4.664 -4.025 1.00 0.00 C ATOM 518 C SER A 38 6.663 3.519 -4.688 1.00 0.00 C ATOM 519 O SER A 38 5.450 3.560 -4.792 1.00 0.00 O ATOM 520 CB SER A 38 6.704 5.195 -2.796 1.00 0.00 C ATOM 521 OG SER A 38 7.481 6.211 -2.171 1.00 0.00 O ATOM 0 H SER A 38 7.514 6.753 -4.411 1.00 0.00 H new ATOM 0 HA SER A 38 8.422 4.231 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.734 5.594 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.515 4.383 -2.094 1.00 0.00 H new ATOM 0 HG SER A 38 8.133 5.799 -1.566 1.00 0.00 H new ATOM 527 N THR A 39 7.357 2.487 -5.110 1.00 0.00 N ATOM 528 CA THR A 39 6.683 1.307 -5.740 1.00 0.00 C ATOM 529 C THR A 39 7.032 0.042 -4.949 1.00 0.00 C ATOM 530 O THR A 39 8.002 0.008 -4.213 1.00 0.00 O ATOM 531 CB THR A 39 7.237 1.213 -7.167 1.00 0.00 C ATOM 532 OG1 THR A 39 6.807 2.343 -7.913 1.00 0.00 O ATOM 533 CG2 THR A 39 6.727 -0.071 -7.842 1.00 0.00 C ATOM 0 H THR A 39 8.372 2.412 -5.044 1.00 0.00 H new ATOM 0 HA THR A 39 5.598 1.410 -5.747 1.00 0.00 H new ATOM 0 HB THR A 39 8.326 1.189 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.182 3.158 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.124 -0.132 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.057 -0.938 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.638 -0.054 -7.880 1.00 0.00 H new ATOM 541 N ILE A 40 6.243 -0.991 -5.084 1.00 0.00 N ATOM 542 CA ILE A 40 6.524 -2.252 -4.324 1.00 0.00 C ATOM 543 C ILE A 40 7.435 -3.206 -5.120 1.00 0.00 C ATOM 544 O ILE A 40 7.677 -3.019 -6.299 1.00 0.00 O ATOM 545 CB ILE A 40 5.145 -2.878 -4.108 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.268 -1.915 -3.303 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.283 -4.182 -3.341 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.425 -1.073 -4.257 1.00 0.00 C ATOM 0 H ILE A 40 5.419 -1.020 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 40 7.050 -2.054 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 40 4.688 -3.074 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.621 -2.474 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.892 -1.269 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.297 -4.622 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.906 -4.873 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.745 -3.988 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.801 -0.388 -3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.081 -0.502 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.790 -1.727 -4.855 1.00 0.00 H new ATOM 560 N VAL A 41 7.928 -4.236 -4.466 1.00 0.00 N ATOM 561 CA VAL A 41 8.820 -5.241 -5.144 1.00 0.00 C ATOM 562 C VAL A 41 8.463 -6.652 -4.672 1.00 0.00 C ATOM 563 O VAL A 41 7.632 -6.826 -3.802 1.00 0.00 O ATOM 564 CB VAL A 41 10.272 -4.906 -4.748 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.014 -4.346 -5.965 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.312 -3.866 -3.622 1.00 0.00 C ATOM 0 H VAL A 41 7.749 -4.426 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 41 8.697 -5.201 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 41 10.749 -5.821 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.041 -4.108 -5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.016 -5.088 -6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.514 -3.442 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.348 -3.649 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.822 -2.951 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.794 -4.258 -2.747 1.00 0.00 H new ATOM 576 N PRO A 42 9.102 -7.618 -5.280 1.00 0.00 N ATOM 577 CA PRO A 42 8.845 -9.040 -4.938 1.00 0.00 C ATOM 578 C PRO A 42 9.285 -9.353 -3.506 1.00 0.00 C ATOM 579 O PRO A 42 8.670 -10.148 -2.826 1.00 0.00 O ATOM 580 CB PRO A 42 9.675 -9.799 -5.963 1.00 0.00 C ATOM 581 CG PRO A 42 10.748 -8.850 -6.372 1.00 0.00 C ATOM 582 CD PRO A 42 10.126 -7.488 -6.329 1.00 0.00 C ATOM 0 HA PRO A 42 7.789 -9.307 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.095 -10.709 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.068 -10.100 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.602 -8.911 -5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.114 -9.081 -7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.858 -6.719 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.687 -7.216 -7.289 1.00 0.00 H new ATOM 590 N GLU A 43 10.330 -8.717 -3.041 1.00 0.00 N ATOM 591 CA GLU A 43 10.804 -8.949 -1.641 1.00 0.00 C ATOM 592 C GLU A 43 9.727 -8.521 -0.627 1.00 0.00 C ATOM 593 O GLU A 43 9.822 -8.817 0.549 1.00 0.00 O ATOM 594 CB GLU A 43 12.046 -8.063 -1.488 1.00 0.00 C ATOM 595 CG GLU A 43 13.303 -8.935 -1.450 1.00 0.00 C ATOM 596 CD GLU A 43 14.174 -8.526 -0.258 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.887 -7.542 -0.379 1.00 0.00 O ATOM 598 OE2 GLU A 43 14.114 -9.204 0.753 1.00 0.00 O ATOM 0 H GLU A 43 10.879 -8.043 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 43 11.019 -10.002 -1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.106 -7.359 -2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.973 -7.474 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.027 -9.986 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.863 -8.824 -2.378 1.00 0.00 H new ATOM 605 N MET A 44 8.713 -7.813 -1.075 1.00 0.00 N ATOM 606 CA MET A 44 7.638 -7.345 -0.148 1.00 0.00 C ATOM 607 C MET A 44 6.526 -8.399 0.022 1.00 0.00 C ATOM 608 O MET A 44 5.614 -8.210 0.800 1.00 0.00 O ATOM 609 CB MET A 44 7.075 -6.084 -0.812 1.00 0.00 C ATOM 610 CG MET A 44 8.206 -5.091 -1.106 1.00 0.00 C ATOM 611 SD MET A 44 9.468 -5.186 0.189 1.00 0.00 S ATOM 612 CE MET A 44 10.828 -4.458 -0.755 1.00 0.00 C ATOM 0 H MET A 44 8.587 -7.540 -2.050 1.00 0.00 H new ATOM 0 HA MET A 44 8.030 -7.161 0.852 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.564 -6.349 -1.738 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.334 -5.621 -0.160 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.652 -5.312 -2.076 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.806 -4.078 -1.162 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.585 -4.078 -0.069 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.271 -5.217 -1.399 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.449 -3.639 -1.367 1.00 0.00 H new ATOM 622 N VAL A 45 6.589 -9.495 -0.706 1.00 0.00 N ATOM 623 CA VAL A 45 5.535 -10.571 -0.623 1.00 0.00 C ATOM 624 C VAL A 45 5.211 -11.060 0.819 1.00 0.00 C ATOM 625 O VAL A 45 4.384 -11.937 0.990 1.00 0.00 O ATOM 626 CB VAL A 45 6.111 -11.720 -1.471 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.484 -12.138 -0.927 1.00 0.00 C ATOM 628 CG2 VAL A 45 5.166 -12.926 -1.438 1.00 0.00 C ATOM 0 H VAL A 45 7.340 -9.694 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 45 4.578 -10.187 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 45 6.218 -11.373 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.883 -12.951 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.165 -11.288 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.380 -12.472 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.584 -13.732 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.047 -13.267 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.195 -12.638 -1.840 1.00 0.00 H new ATOM 638 N GLY A 46 5.814 -10.520 1.850 1.00 0.00 N ATOM 639 CA GLY A 46 5.480 -10.989 3.230 1.00 0.00 C ATOM 640 C GLY A 46 5.570 -9.825 4.223 1.00 0.00 C ATOM 641 O GLY A 46 5.902 -10.021 5.378 1.00 0.00 O ATOM 0 H GLY A 46 6.516 -9.782 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.475 -11.412 3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.165 -11.783 3.527 1.00 0.00 H new ATOM 645 N HIS A 47 5.289 -8.614 3.790 1.00 0.00 N ATOM 646 CA HIS A 47 5.379 -7.443 4.723 1.00 0.00 C ATOM 647 C HIS A 47 4.344 -6.367 4.369 1.00 0.00 C ATOM 648 O HIS A 47 3.910 -6.253 3.238 1.00 0.00 O ATOM 649 CB HIS A 47 6.793 -6.861 4.539 1.00 0.00 C ATOM 650 CG HIS A 47 7.823 -7.959 4.452 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.512 -8.420 5.563 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.287 -8.696 3.391 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.346 -9.391 5.148 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.248 -9.599 3.832 1.00 0.00 N ATOM 0 H HIS A 47 5.003 -8.389 2.837 1.00 0.00 H new ATOM 0 HA HIS A 47 5.185 -7.758 5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.825 -6.255 3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.030 -6.201 5.373 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.406 -8.084 6.520 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.956 -8.590 2.368 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.013 -9.936 5.799 1.00 0.00 H new ATOM 662 N THR A 48 3.990 -5.550 5.332 1.00 0.00 N ATOM 663 CA THR A 48 3.030 -4.435 5.086 1.00 0.00 C ATOM 664 C THR A 48 3.873 -3.177 4.916 1.00 0.00 C ATOM 665 O THR A 48 4.201 -2.499 5.868 1.00 0.00 O ATOM 666 CB THR A 48 2.146 -4.342 6.347 1.00 0.00 C ATOM 667 OG1 THR A 48 2.203 -5.559 7.085 1.00 0.00 O ATOM 668 CG2 THR A 48 0.698 -4.065 5.939 1.00 0.00 C ATOM 0 H THR A 48 4.332 -5.612 6.291 1.00 0.00 H new ATOM 0 HA THR A 48 2.400 -4.575 4.207 1.00 0.00 H new ATOM 0 HB THR A 48 2.515 -3.530 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.677 -6.246 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.075 -4.000 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.648 -3.124 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.338 -4.874 5.303 1.00 0.00 H new ATOM 676 N ILE A 49 4.286 -2.897 3.717 1.00 0.00 N ATOM 677 CA ILE A 49 5.179 -1.720 3.504 1.00 0.00 C ATOM 678 C ILE A 49 4.389 -0.432 3.305 1.00 0.00 C ATOM 679 O ILE A 49 3.621 -0.298 2.372 1.00 0.00 O ATOM 680 CB ILE A 49 6.012 -2.087 2.274 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.028 -3.157 2.689 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.755 -0.855 1.741 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.852 -4.403 1.827 1.00 0.00 C ATOM 0 H ILE A 49 4.049 -3.425 2.877 1.00 0.00 H new ATOM 0 HA ILE A 49 5.807 -1.519 4.372 1.00 0.00 H new ATOM 0 HB ILE A 49 5.359 -2.461 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.041 -2.770 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.894 -3.410 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.342 -1.134 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.033 -0.087 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.418 -0.467 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.577 -5.159 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.844 -4.796 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.009 -4.146 0.779 1.00 0.00 H new ATOM 695 N ALA A 50 4.596 0.527 4.182 1.00 0.00 N ATOM 696 CA ALA A 50 3.880 1.824 4.050 1.00 0.00 C ATOM 697 C ALA A 50 4.578 2.676 3.001 1.00 0.00 C ATOM 698 O ALA A 50 5.451 3.476 3.291 1.00 0.00 O ATOM 699 CB ALA A 50 3.920 2.480 5.428 1.00 0.00 C ATOM 0 H ALA A 50 5.230 0.460 4.979 1.00 0.00 H new ATOM 0 HA ALA A 50 2.846 1.698 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.406 3.440 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.426 1.833 6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.957 2.635 5.727 1.00 0.00 H new ATOM 705 N VAL A 51 4.196 2.482 1.771 1.00 0.00 N ATOM 706 CA VAL A 51 4.821 3.251 0.652 1.00 0.00 C ATOM 707 C VAL A 51 4.370 4.714 0.698 1.00 0.00 C ATOM 708 O VAL A 51 3.200 5.007 0.870 1.00 0.00 O ATOM 709 CB VAL A 51 4.340 2.577 -0.645 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.757 1.102 -0.651 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.811 2.676 -0.759 1.00 0.00 C ATOM 0 H VAL A 51 3.473 1.820 1.487 1.00 0.00 H new ATOM 0 HA VAL A 51 5.909 3.248 0.720 1.00 0.00 H new ATOM 0 HB VAL A 51 4.796 3.087 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.413 0.631 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.843 1.031 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.311 0.594 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.483 2.196 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.350 2.178 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.514 3.725 -0.771 1.00 0.00 H new ATOM 721 N TYR A 52 5.287 5.636 0.538 1.00 0.00 N ATOM 722 CA TYR A 52 4.902 7.076 0.563 1.00 0.00 C ATOM 723 C TYR A 52 4.210 7.428 -0.760 1.00 0.00 C ATOM 724 O TYR A 52 4.846 7.550 -1.791 1.00 0.00 O ATOM 725 CB TYR A 52 6.217 7.855 0.733 1.00 0.00 C ATOM 726 CG TYR A 52 5.933 9.323 0.959 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.080 9.725 1.993 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.542 10.282 0.143 1.00 0.00 C ATOM 729 CE1 TYR A 52 4.838 11.085 2.212 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.297 11.642 0.358 1.00 0.00 C ATOM 731 CZ TYR A 52 5.445 12.045 1.395 1.00 0.00 C ATOM 732 OH TYR A 52 5.210 13.386 1.614 1.00 0.00 O ATOM 0 H TYR A 52 6.280 5.453 0.392 1.00 0.00 H new ATOM 0 HA TYR A 52 4.208 7.317 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.779 7.453 1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.839 7.730 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.608 8.985 2.622 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.202 9.972 -0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.182 11.394 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.764 12.382 -0.275 1.00 0.00 H new ATOM 0 HH TYR A 52 4.611 13.731 0.920 1.00 0.00 H new ATOM 742 N ASN A 53 2.906 7.588 -0.734 1.00 0.00 N ATOM 743 CA ASN A 53 2.157 7.930 -1.987 1.00 0.00 C ATOM 744 C ASN A 53 2.445 9.382 -2.418 1.00 0.00 C ATOM 745 O ASN A 53 1.920 9.864 -3.403 1.00 0.00 O ATOM 746 CB ASN A 53 0.679 7.750 -1.602 1.00 0.00 C ATOM 747 CG ASN A 53 -0.232 8.329 -2.689 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.440 7.715 -3.717 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.789 9.496 -2.503 1.00 0.00 N ATOM 0 H ASN A 53 2.328 7.496 0.102 1.00 0.00 H new ATOM 0 HA ASN A 53 2.445 7.305 -2.832 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.460 6.692 -1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.482 8.246 -0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.398 9.891 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.615 10.012 -1.641 1.00 0.00 H new ATOM 756 N GLY A 54 3.261 10.083 -1.673 1.00 0.00 N ATOM 757 CA GLY A 54 3.568 11.504 -2.001 1.00 0.00 C ATOM 758 C GLY A 54 3.165 12.357 -0.799 1.00 0.00 C ATOM 759 O GLY A 54 3.653 13.454 -0.606 1.00 0.00 O ATOM 0 H GLY A 54 3.732 9.725 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.629 11.626 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.023 11.817 -2.892 1.00 0.00 H new ATOM 763 N LYS A 55 2.271 11.839 0.014 1.00 0.00 N ATOM 764 CA LYS A 55 1.810 12.575 1.227 1.00 0.00 C ATOM 765 C LYS A 55 1.639 11.614 2.417 1.00 0.00 C ATOM 766 O LYS A 55 1.755 12.015 3.560 1.00 0.00 O ATOM 767 CB LYS A 55 0.456 13.197 0.855 1.00 0.00 C ATOM 768 CG LYS A 55 -0.348 12.251 -0.048 1.00 0.00 C ATOM 769 CD LYS A 55 -1.798 12.734 -0.126 1.00 0.00 C ATOM 770 CE LYS A 55 -2.531 11.979 -1.240 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.858 12.650 -1.357 1.00 0.00 N ATOM 0 H LYS A 55 1.839 10.925 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 55 2.536 13.331 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.111 13.413 1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.615 14.147 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.091 12.221 -1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.312 11.236 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.298 12.570 0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.825 13.806 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.980 12.029 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.644 10.923 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.417 12.187 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.363 12.580 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.720 13.652 -1.600 1.00 0.00 H new ATOM 785 N GLN A 56 1.331 10.361 2.161 1.00 0.00 N ATOM 786 CA GLN A 56 1.112 9.394 3.277 1.00 0.00 C ATOM 787 C GLN A 56 1.815 8.053 3.022 1.00 0.00 C ATOM 788 O GLN A 56 2.056 7.665 1.894 1.00 0.00 O ATOM 789 CB GLN A 56 -0.416 9.242 3.309 1.00 0.00 C ATOM 790 CG GLN A 56 -0.864 7.839 2.873 1.00 0.00 C ATOM 791 CD GLN A 56 -1.567 7.136 4.038 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.885 6.832 5.109 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.747 6.861 3.971 1.00 0.00 N flip ATOM 0 H GLN A 56 1.223 9.971 1.225 1.00 0.00 H new ATOM 0 HA GLN A 56 1.526 9.738 4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.779 9.442 4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.868 9.987 2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.538 7.911 2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.002 7.255 2.550 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.279 7.099 3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.207 6.392 4.752 1.00 0.00 H new ATOM 802 N HIS A 57 2.103 7.332 4.078 1.00 0.00 N ATOM 803 CA HIS A 57 2.744 5.996 3.945 1.00 0.00 C ATOM 804 C HIS A 57 1.664 4.932 4.133 1.00 0.00 C ATOM 805 O HIS A 57 1.163 4.741 5.223 1.00 0.00 O ATOM 806 CB HIS A 57 3.766 5.925 5.081 1.00 0.00 C ATOM 807 CG HIS A 57 4.743 7.057 4.950 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.811 7.012 4.071 1.00 0.00 N ATOM 809 CD2 HIS A 57 4.815 8.280 5.569 1.00 0.00 C ATOM 810 CE1 HIS A 57 6.474 8.175 4.183 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.909 8.985 5.081 1.00 0.00 N ATOM 0 H HIS A 57 1.917 7.621 5.038 1.00 0.00 H new ATOM 0 HA HIS A 57 3.220 5.839 2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.259 5.979 6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.293 4.971 5.051 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.051 6.238 3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.127 8.639 6.320 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.358 8.425 3.615 1.00 0.00 H new ATOM 819 N VAL A 58 1.280 4.257 3.081 1.00 0.00 N ATOM 820 CA VAL A 58 0.209 3.221 3.208 1.00 0.00 C ATOM 821 C VAL A 58 0.839 1.838 3.423 1.00 0.00 C ATOM 822 O VAL A 58 1.311 1.228 2.480 1.00 0.00 O ATOM 823 CB VAL A 58 -0.561 3.271 1.878 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.800 2.379 1.970 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.998 4.712 1.584 1.00 0.00 C ATOM 0 H VAL A 58 1.659 4.377 2.142 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.448 3.406 4.058 1.00 0.00 H new ATOM 0 HB VAL A 58 0.088 2.918 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.345 2.415 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.495 1.353 2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.444 2.733 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.543 4.742 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.643 5.068 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.118 5.352 1.515 1.00 0.00 H new ATOM 835 N PRO A 59 0.835 1.387 4.667 1.00 0.00 N ATOM 836 CA PRO A 59 1.423 0.064 5.008 1.00 0.00 C ATOM 837 C PRO A 59 0.558 -1.029 4.409 1.00 0.00 C ATOM 838 O PRO A 59 -0.439 -1.444 4.972 1.00 0.00 O ATOM 839 CB PRO A 59 1.399 0.030 6.532 1.00 0.00 C ATOM 840 CG PRO A 59 0.310 0.978 6.913 1.00 0.00 C ATOM 841 CD PRO A 59 0.282 2.048 5.852 1.00 0.00 C ATOM 0 HA PRO A 59 2.431 -0.087 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.197 -0.975 6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.357 0.338 6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.649 0.464 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.499 1.411 7.895 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.732 2.406 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.879 2.913 6.142 1.00 0.00 H new ATOM 849 N VAL A 60 0.924 -1.456 3.247 1.00 0.00 N ATOM 850 CA VAL A 60 0.130 -2.499 2.537 1.00 0.00 C ATOM 851 C VAL A 60 0.823 -3.859 2.548 1.00 0.00 C ATOM 852 O VAL A 60 1.951 -3.990 2.118 1.00 0.00 O ATOM 853 CB VAL A 60 0.013 -2.006 1.091 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.917 -0.793 1.024 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.393 -1.626 0.533 1.00 0.00 C ATOM 0 H VAL A 60 1.749 -1.128 2.745 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.835 -2.637 3.025 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.400 -2.814 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.994 -0.450 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.906 -1.072 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.515 0.008 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.287 -1.279 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.825 -0.832 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.047 -2.498 0.556 1.00 0.00 H new ATOM 865 N TYR A 61 0.139 -4.886 2.985 1.00 0.00 N ATOM 866 CA TYR A 61 0.756 -6.242 2.945 1.00 0.00 C ATOM 867 C TYR A 61 0.854 -6.639 1.468 1.00 0.00 C ATOM 868 O TYR A 61 -0.135 -6.934 0.823 1.00 0.00 O ATOM 869 CB TYR A 61 -0.194 -7.170 3.713 1.00 0.00 C ATOM 870 CG TYR A 61 0.614 -8.182 4.494 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.526 -9.015 3.831 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.456 -8.283 5.881 1.00 0.00 C ATOM 873 CE1 TYR A 61 2.275 -9.948 4.555 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.207 -9.215 6.605 1.00 0.00 C ATOM 875 CZ TYR A 61 2.117 -10.048 5.943 1.00 0.00 C ATOM 876 OH TYR A 61 2.859 -10.966 6.657 1.00 0.00 O ATOM 0 H TYR A 61 -0.808 -4.844 3.363 1.00 0.00 H new ATOM 0 HA TYR A 61 1.749 -6.289 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.820 -6.588 4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.862 -7.680 3.019 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.650 -8.936 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.246 -7.641 6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.975 -10.592 4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.085 -9.292 7.675 1.00 0.00 H new ATOM 0 HH TYR A 61 2.629 -10.904 7.608 1.00 0.00 H new ATOM 886 N ILE A 62 2.035 -6.574 0.921 1.00 0.00 N ATOM 887 CA ILE A 62 2.229 -6.862 -0.535 1.00 0.00 C ATOM 888 C ILE A 62 1.810 -8.276 -0.944 1.00 0.00 C ATOM 889 O ILE A 62 1.083 -8.442 -1.901 1.00 0.00 O ATOM 890 CB ILE A 62 3.729 -6.664 -0.761 1.00 0.00 C ATOM 891 CG1 ILE A 62 4.026 -5.191 -1.007 1.00 0.00 C ATOM 892 CG2 ILE A 62 4.197 -7.468 -1.980 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.177 -4.444 0.312 1.00 0.00 C ATOM 0 H ILE A 62 2.888 -6.331 1.424 1.00 0.00 H new ATOM 0 HA ILE A 62 1.602 -6.208 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 62 4.257 -7.009 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.940 -5.092 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.222 -4.746 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.266 -7.316 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.000 -8.527 -1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.658 -7.133 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.389 -3.393 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.253 -4.526 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.997 -4.878 0.884 1.00 0.00 H new ATOM 905 N THR A 63 2.319 -9.283 -0.278 1.00 0.00 N ATOM 906 CA THR A 63 2.020 -10.702 -0.672 1.00 0.00 C ATOM 907 C THR A 63 2.501 -10.907 -2.109 1.00 0.00 C ATOM 908 O THR A 63 3.089 -10.024 -2.705 1.00 0.00 O ATOM 909 CB THR A 63 0.494 -10.925 -0.565 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.147 -10.570 -1.786 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.095 -10.098 0.580 1.00 0.00 C ATOM 0 H THR A 63 2.935 -9.185 0.529 1.00 0.00 H new ATOM 0 HA THR A 63 2.527 -11.415 -0.021 1.00 0.00 H new ATOM 0 HB THR A 63 0.322 -11.982 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.108 -9.598 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.170 -10.270 0.637 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.371 -10.394 1.520 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.094 -9.040 0.399 1.00 0.00 H new ATOM 919 N GLU A 64 2.263 -12.046 -2.686 1.00 0.00 N ATOM 920 CA GLU A 64 2.719 -12.244 -4.086 1.00 0.00 C ATOM 921 C GLU A 64 1.611 -11.814 -5.065 1.00 0.00 C ATOM 922 O GLU A 64 1.331 -12.503 -6.029 1.00 0.00 O ATOM 923 CB GLU A 64 3.018 -13.742 -4.209 1.00 0.00 C ATOM 924 CG GLU A 64 4.033 -13.972 -5.334 1.00 0.00 C ATOM 925 CD GLU A 64 5.449 -13.693 -4.821 1.00 0.00 C ATOM 926 OE1 GLU A 64 5.863 -12.546 -4.872 1.00 0.00 O ATOM 927 OE2 GLU A 64 6.095 -14.632 -4.385 1.00 0.00 O ATOM 0 H GLU A 64 1.781 -12.837 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 64 3.599 -11.646 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.411 -14.123 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.099 -14.291 -4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.963 -14.998 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.807 -13.321 -6.178 1.00 0.00 H new ATOM 934 N ASN A 65 0.960 -10.689 -4.821 1.00 0.00 N ATOM 935 CA ASN A 65 -0.140 -10.260 -5.747 1.00 0.00 C ATOM 936 C ASN A 65 -0.323 -8.730 -5.816 1.00 0.00 C ATOM 937 O ASN A 65 -0.771 -8.218 -6.826 1.00 0.00 O ATOM 938 CB ASN A 65 -1.402 -10.913 -5.174 1.00 0.00 C ATOM 939 CG ASN A 65 -2.471 -11.012 -6.266 1.00 0.00 C ATOM 940 OD1 ASN A 65 -2.497 -11.965 -7.020 1.00 0.00 O ATOM 941 ND2 ASN A 65 -3.360 -10.062 -6.385 1.00 0.00 N ATOM 0 H ASN A 65 1.142 -10.064 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 65 0.086 -10.562 -6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.167 -11.906 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.778 -10.327 -4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.075 -10.121 -7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.339 -9.262 -5.753 1.00 0.00 H new ATOM 948 N MET A 66 -0.017 -7.992 -4.773 1.00 0.00 N ATOM 949 CA MET A 66 -0.223 -6.508 -4.834 1.00 0.00 C ATOM 950 C MET A 66 1.022 -5.790 -5.379 1.00 0.00 C ATOM 951 O MET A 66 0.935 -4.689 -5.884 1.00 0.00 O ATOM 952 CB MET A 66 -0.507 -6.094 -3.390 1.00 0.00 C ATOM 953 CG MET A 66 -1.707 -6.881 -2.851 1.00 0.00 C ATOM 954 SD MET A 66 -2.408 -6.016 -1.424 1.00 0.00 S ATOM 955 CE MET A 66 -4.151 -6.213 -1.868 1.00 0.00 C ATOM 0 H MET A 66 0.361 -8.347 -3.894 1.00 0.00 H new ATOM 0 HA MET A 66 -1.037 -6.239 -5.508 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.370 -6.280 -2.770 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.711 -5.024 -3.342 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.462 -6.991 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.397 -7.886 -2.564 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.766 -6.130 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.436 -5.436 -2.578 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.302 -7.192 -2.322 1.00 0.00 H new ATOM 965 N VAL A 67 2.176 -6.396 -5.276 1.00 0.00 N ATOM 966 CA VAL A 67 3.430 -5.739 -5.778 1.00 0.00 C ATOM 967 C VAL A 67 3.442 -5.588 -7.309 1.00 0.00 C ATOM 968 O VAL A 67 2.758 -6.294 -8.024 1.00 0.00 O ATOM 969 CB VAL A 67 4.578 -6.668 -5.359 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.270 -8.111 -5.776 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.862 -6.217 -6.058 1.00 0.00 C ATOM 0 H VAL A 67 2.309 -7.320 -4.865 1.00 0.00 H new ATOM 0 HA VAL A 67 3.514 -4.734 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 67 4.696 -6.624 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.091 -8.760 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.350 -8.441 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.149 -8.159 -6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.684 -6.871 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.725 -6.266 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.094 -5.192 -5.768 1.00 0.00 H new ATOM 981 N GLY A 68 4.270 -4.692 -7.803 1.00 0.00 N ATOM 982 CA GLY A 68 4.404 -4.504 -9.277 1.00 0.00 C ATOM 983 C GLY A 68 3.916 -3.125 -9.714 1.00 0.00 C ATOM 984 O GLY A 68 4.166 -2.714 -10.833 1.00 0.00 O ATOM 0 H GLY A 68 4.861 -4.081 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.447 -4.630 -9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.833 -5.274 -9.796 1.00 0.00 H new ATOM 988 N HIS A 69 3.218 -2.405 -8.873 1.00 0.00 N ATOM 989 CA HIS A 69 2.727 -1.067 -9.299 1.00 0.00 C ATOM 990 C HIS A 69 3.246 0.028 -8.362 1.00 0.00 C ATOM 991 O HIS A 69 4.233 0.677 -8.649 1.00 0.00 O ATOM 992 CB HIS A 69 1.199 -1.172 -9.236 1.00 0.00 C ATOM 993 CG HIS A 69 0.713 -2.141 -10.284 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.960 -3.479 -10.484 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.150 -1.761 -11.300 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.264 -3.922 -11.604 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.388 -2.848 -12.057 1.00 0.00 N flip ATOM 0 H HIS A 69 2.971 -2.683 -7.923 1.00 0.00 H new ATOM 0 HA HIS A 69 3.075 -0.798 -10.296 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.888 -1.506 -8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.750 -0.192 -9.397 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.557 -0.773 -11.456 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.253 -4.919 -12.018 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.993 -2.851 -12.878 1.00 0.00 H new ATOM 1005 N LYS A 70 2.579 0.244 -7.257 1.00 0.00 N ATOM 1006 CA LYS A 70 3.009 1.305 -6.281 1.00 0.00 C ATOM 1007 C LYS A 70 2.026 1.379 -5.108 1.00 0.00 C ATOM 1008 O LYS A 70 2.388 1.697 -3.990 1.00 0.00 O ATOM 1009 CB LYS A 70 3.030 2.643 -7.046 1.00 0.00 C ATOM 1010 CG LYS A 70 1.900 2.695 -8.078 1.00 0.00 C ATOM 1011 CD LYS A 70 0.672 3.380 -7.474 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.154 4.027 -8.590 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.505 4.250 -7.996 1.00 0.00 N ATOM 0 H LYS A 70 1.744 -0.273 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 70 3.993 1.078 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.926 3.470 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.991 2.767 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.230 3.237 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.643 1.686 -8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.066 2.653 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.982 4.136 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.293 4.966 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.210 3.379 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.127 4.691 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.909 3.338 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.422 4.876 -7.170 1.00 0.00 H new ATOM 1027 N LEU A 71 0.788 1.076 -5.388 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.311 1.097 -4.361 1.00 0.00 C ATOM 1029 C LEU A 71 -1.690 0.860 -5.027 1.00 0.00 C ATOM 1030 O LEU A 71 -2.662 0.589 -4.348 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.274 2.491 -3.703 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.901 3.541 -4.628 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.310 3.883 -4.138 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.039 4.806 -4.616 1.00 0.00 C ATOM 0 H LEU A 71 0.475 0.804 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.166 0.306 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.812 2.466 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.757 2.766 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.957 3.144 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.753 4.629 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.925 2.983 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.256 4.280 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.482 5.555 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.015 5.200 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.965 4.565 -4.966 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.786 0.961 -6.344 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.093 0.745 -7.033 1.00 0.00 C ATOM 1048 C GLY A 72 -3.499 -0.730 -6.950 1.00 0.00 C ATOM 1049 O GLY A 72 -4.656 -1.067 -7.106 1.00 0.00 O ATOM 0 H GLY A 72 -1.007 1.185 -6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.861 1.367 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.017 1.050 -8.077 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.563 -1.608 -6.679 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.907 -3.060 -6.557 1.00 0.00 C ATOM 1055 C GLU A 73 -3.360 -3.352 -5.126 1.00 0.00 C ATOM 1056 O GLU A 73 -3.964 -4.370 -4.844 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.614 -3.809 -6.868 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.439 -3.920 -8.381 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.103 -5.366 -8.755 1.00 0.00 C ATOM 1060 OE1 GLU A 73 0.025 -5.769 -8.528 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -1.980 -6.046 -9.260 1.00 0.00 O ATOM 0 H GLU A 73 -1.578 -1.383 -6.537 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.713 -3.357 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.764 -3.285 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.641 -4.803 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.352 -3.606 -8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.644 -3.253 -8.715 1.00 0.00 H new