USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 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 23 ASN : amide:sc= 0.369 X(o=-2.8,f=-3.2) USER MOD Set 1.2: A 47 HIS : no HD1:sc= -3.17 X(o=-2.8,f=-3.1) USER MOD Single : A 14 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-0.94) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= -0.0258 (180deg=-0.0258) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0.284 (180deg=0.283) USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= 0.153 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.012) USER MOD Single : A 33 THR OG1 : rot 160:sc= 0 USER MOD Single : A 35 SER OG : rot 130:sc= -0.0175 USER MOD Single : A 38 SER OG : rot -150:sc= -1.47! USER MOD Single : A 39 THR OG1 : rot -88:sc= 0.38 USER MOD Single : A 44 MET CE :methyl -159:sc= -15.3! (180deg=-19.7!) USER MOD Single : A 48 THR OG1 : rot -64:sc= 0.309 USER MOD Single : A 52 TYR OH : rot -99:sc= 0.946 USER MOD Single : A 53 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.36) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -1.14 F(o=-2.1,f=-1.1) USER MOD Single : A 57 HIS : no HE2:sc= -3.88! C(o=-3.9!,f=-5.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 126:sc= -0.337 (180deg=-0.936) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.36! C(o=-7.6!,f=-4.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.812 4.217 -9.827 1.00 0.00 N ATOM 25 CA PHE A 10 10.905 3.968 -8.836 1.00 0.00 C ATOM 26 C PHE A 10 10.386 3.084 -7.695 1.00 0.00 C ATOM 27 O PHE A 10 9.226 3.139 -7.333 1.00 0.00 O ATOM 28 CB PHE A 10 11.297 5.370 -8.330 1.00 0.00 C ATOM 29 CG PHE A 10 11.700 5.329 -6.867 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.732 5.501 -5.869 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.041 5.126 -6.511 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.101 5.470 -4.520 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.409 5.094 -5.159 1.00 0.00 C ATOM 34 CZ PHE A 10 12.440 5.266 -4.164 1.00 0.00 C ATOM 0 HA PHE A 10 11.759 3.444 -9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.122 5.758 -8.927 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.459 6.055 -8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.699 5.658 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.790 4.994 -7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.353 5.603 -3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.442 4.936 -4.885 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.725 5.241 -3.122 1.00 0.00 H new ATOM 44 N VAL A 11 11.250 2.295 -7.112 1.00 0.00 N ATOM 45 CA VAL A 11 10.832 1.429 -5.975 1.00 0.00 C ATOM 46 C VAL A 11 11.479 1.963 -4.711 1.00 0.00 C ATOM 47 O VAL A 11 12.684 2.111 -4.634 1.00 0.00 O ATOM 48 CB VAL A 11 11.341 0.019 -6.297 1.00 0.00 C ATOM 49 CG1 VAL A 11 11.184 -0.883 -5.062 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.528 -0.566 -7.455 1.00 0.00 C ATOM 0 H VAL A 11 12.232 2.214 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 11 9.752 1.415 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 11 12.393 0.073 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.547 -1.884 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.762 -0.471 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.132 -0.934 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.890 -1.568 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.476 -0.616 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.638 0.069 -8.334 1.00 0.00 H new ATOM 60 N ASP A 12 10.677 2.257 -3.733 1.00 0.00 N ATOM 61 CA ASP A 12 11.200 2.794 -2.449 1.00 0.00 C ATOM 62 C ASP A 12 12.428 2.006 -1.970 1.00 0.00 C ATOM 63 O ASP A 12 12.320 0.888 -1.500 1.00 0.00 O ATOM 64 CB ASP A 12 10.039 2.666 -1.443 1.00 0.00 C ATOM 65 CG ASP A 12 9.176 1.418 -1.708 1.00 0.00 C ATOM 66 OD1 ASP A 12 9.692 0.455 -2.249 1.00 0.00 O ATOM 67 OD2 ASP A 12 8.009 1.452 -1.362 1.00 0.00 O ATOM 0 H ASP A 12 9.664 2.147 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 12 11.529 3.827 -2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.441 2.620 -0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.413 3.557 -1.497 1.00 0.00 H new ATOM 72 N ASP A 13 13.597 2.597 -2.068 1.00 0.00 N ATOM 73 CA ASP A 13 14.828 1.911 -1.602 1.00 0.00 C ATOM 74 C ASP A 13 14.794 1.825 -0.078 1.00 0.00 C ATOM 75 O ASP A 13 15.362 0.929 0.520 1.00 0.00 O ATOM 76 CB ASP A 13 15.992 2.790 -2.072 1.00 0.00 C ATOM 77 CG ASP A 13 17.315 2.054 -1.842 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.695 1.276 -2.703 1.00 0.00 O ATOM 79 OD2 ASP A 13 17.925 2.278 -0.809 1.00 0.00 O ATOM 0 H ASP A 13 13.743 3.530 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 13 14.923 0.898 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.876 3.030 -3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.990 3.735 -1.529 1.00 0.00 H new ATOM 84 N HIS A 14 14.108 2.751 0.548 1.00 0.00 N ATOM 85 CA HIS A 14 13.995 2.742 2.029 1.00 0.00 C ATOM 86 C HIS A 14 13.143 1.549 2.488 1.00 0.00 C ATOM 87 O HIS A 14 13.169 1.167 3.643 1.00 0.00 O ATOM 88 CB HIS A 14 13.313 4.066 2.382 1.00 0.00 C ATOM 89 CG HIS A 14 14.048 4.724 3.517 1.00 0.00 C ATOM 90 ND1 HIS A 14 14.022 4.219 4.807 1.00 0.00 N ATOM 91 CD2 HIS A 14 14.839 5.846 3.570 1.00 0.00 C ATOM 92 CE1 HIS A 14 14.775 5.027 5.575 1.00 0.00 C ATOM 93 NE2 HIS A 14 15.296 6.036 4.871 1.00 0.00 N ATOM 0 H HIS A 14 13.619 3.518 0.086 1.00 0.00 H new ATOM 0 HA HIS A 14 14.964 2.643 2.519 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.301 4.724 1.513 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.275 3.889 2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.071 6.484 2.730 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.939 4.878 6.632 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.899 6.784 5.213 1.00 0.00 H new ATOM 101 N LEU A 15 12.407 0.943 1.585 1.00 0.00 N ATOM 102 CA LEU A 15 11.585 -0.240 1.956 1.00 0.00 C ATOM 103 C LEU A 15 12.480 -1.486 1.890 1.00 0.00 C ATOM 104 O LEU A 15 12.400 -2.366 2.721 1.00 0.00 O ATOM 105 CB LEU A 15 10.438 -0.268 0.916 1.00 0.00 C ATOM 106 CG LEU A 15 10.291 -1.654 0.257 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.030 -2.716 1.325 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.108 -1.635 -0.715 1.00 0.00 C ATOM 0 H LEU A 15 12.344 1.222 0.606 1.00 0.00 H new ATOM 0 HA LEU A 15 11.172 -0.204 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.501 0.004 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.627 0.481 0.147 1.00 0.00 H new ATOM 0 HG LEU A 15 11.212 -1.889 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.927 -3.692 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.864 -2.739 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.112 -2.475 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.004 -2.615 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.195 -1.393 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.282 -0.884 -1.485 1.00 0.00 H new ATOM 120 N LEU A 16 13.342 -1.546 0.910 1.00 0.00 N ATOM 121 CA LEU A 16 14.262 -2.716 0.776 1.00 0.00 C ATOM 122 C LEU A 16 15.293 -2.724 1.902 1.00 0.00 C ATOM 123 O LEU A 16 15.563 -3.752 2.490 1.00 0.00 O ATOM 124 CB LEU A 16 14.942 -2.532 -0.571 1.00 0.00 C ATOM 125 CG LEU A 16 13.948 -2.907 -1.659 1.00 0.00 C ATOM 126 CD1 LEU A 16 13.852 -1.766 -2.671 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.417 -4.186 -2.351 1.00 0.00 C ATOM 0 H LEU A 16 13.450 -0.830 0.191 1.00 0.00 H new ATOM 0 HA LEU A 16 13.727 -3.664 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.269 -1.500 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.832 -3.158 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 16 12.965 -3.078 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.140 -2.032 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.516 -0.860 -2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.831 -1.591 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.707 -4.458 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.399 -4.021 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.480 -4.993 -1.621 1.00 0.00 H new ATOM 139 N GLU A 17 15.865 -1.585 2.216 1.00 0.00 N ATOM 140 CA GLU A 17 16.876 -1.540 3.322 1.00 0.00 C ATOM 141 C GLU A 17 16.299 -2.142 4.619 1.00 0.00 C ATOM 142 O GLU A 17 17.035 -2.526 5.509 1.00 0.00 O ATOM 143 CB GLU A 17 17.222 -0.060 3.506 1.00 0.00 C ATOM 144 CG GLU A 17 15.990 0.695 3.988 1.00 0.00 C ATOM 145 CD GLU A 17 16.410 2.000 4.669 1.00 0.00 C ATOM 146 OE1 GLU A 17 16.836 2.904 3.967 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.298 2.074 5.881 1.00 0.00 O ATOM 0 H GLU A 17 15.678 -0.692 1.759 1.00 0.00 H new ATOM 0 HA GLU A 17 17.762 -2.128 3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.032 0.048 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.574 0.362 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.332 0.910 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.424 0.077 4.685 1.00 0.00 H new ATOM 154 N LYS A 18 14.989 -2.233 4.728 1.00 0.00 N ATOM 155 CA LYS A 18 14.368 -2.815 5.956 1.00 0.00 C ATOM 156 C LYS A 18 13.675 -4.156 5.646 1.00 0.00 C ATOM 157 O LYS A 18 13.642 -5.039 6.480 1.00 0.00 O ATOM 158 CB LYS A 18 13.338 -1.775 6.405 1.00 0.00 C ATOM 159 CG LYS A 18 13.924 -0.912 7.525 1.00 0.00 C ATOM 160 CD LYS A 18 12.930 -0.833 8.688 1.00 0.00 C ATOM 161 CE LYS A 18 11.858 0.219 8.381 1.00 0.00 C ATOM 162 NZ LYS A 18 10.798 0.008 9.409 1.00 0.00 N ATOM 0 H LYS A 18 14.327 -1.927 4.015 1.00 0.00 H new ATOM 0 HA LYS A 18 15.112 -3.024 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.051 -1.147 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.433 -2.273 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.868 -1.336 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.141 0.088 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.464 -1.805 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.453 -0.575 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.268 1.227 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.460 0.094 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.030 0.694 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.421 -0.958 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.203 0.141 10.358 1.00 0.00 H new ATOM 176 N VAL A 19 13.109 -4.313 4.466 1.00 0.00 N ATOM 177 CA VAL A 19 12.407 -5.597 4.132 1.00 0.00 C ATOM 178 C VAL A 19 13.400 -6.731 3.876 1.00 0.00 C ATOM 179 O VAL A 19 13.185 -7.849 4.305 1.00 0.00 O ATOM 180 CB VAL A 19 11.576 -5.304 2.880 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.414 -5.506 1.615 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.375 -6.250 2.856 1.00 0.00 C ATOM 0 H VAL A 19 13.104 -3.611 3.726 1.00 0.00 H new ATOM 0 HA VAL A 19 11.782 -5.929 4.961 1.00 0.00 H new ATOM 0 HB VAL A 19 11.241 -4.267 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.805 -5.293 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.271 -4.832 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.764 -6.537 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.774 -6.052 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.725 -7.282 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.769 -6.091 3.748 1.00 0.00 H new ATOM 192 N LEU A 20 14.497 -6.456 3.209 1.00 0.00 N ATOM 193 CA LEU A 20 15.510 -7.539 2.976 1.00 0.00 C ATOM 194 C LEU A 20 15.953 -8.004 4.344 1.00 0.00 C ATOM 195 O LEU A 20 16.151 -9.177 4.598 1.00 0.00 O ATOM 196 CB LEU A 20 16.692 -6.902 2.236 1.00 0.00 C ATOM 197 CG LEU A 20 16.194 -6.108 1.033 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.315 -5.199 0.532 1.00 0.00 C ATOM 199 CD2 LEU A 20 15.771 -7.069 -0.080 1.00 0.00 C ATOM 0 H LEU A 20 14.734 -5.543 2.821 1.00 0.00 H new ATOM 0 HA LEU A 20 15.118 -8.374 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.242 -6.247 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.385 -7.677 1.908 1.00 0.00 H new ATOM 0 HG LEU A 20 15.336 -5.502 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.964 -4.629 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.610 -4.513 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.172 -5.806 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.416 -6.498 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.624 -7.679 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.972 -7.716 0.282 1.00 0.00 H new ATOM 211 N GLU A 21 16.067 -7.057 5.234 1.00 0.00 N ATOM 212 CA GLU A 21 16.453 -7.372 6.630 1.00 0.00 C ATOM 213 C GLU A 21 15.404 -8.301 7.257 1.00 0.00 C ATOM 214 O GLU A 21 15.743 -9.233 7.962 1.00 0.00 O ATOM 215 CB GLU A 21 16.484 -6.026 7.354 1.00 0.00 C ATOM 216 CG GLU A 21 17.373 -6.127 8.596 1.00 0.00 C ATOM 217 CD GLU A 21 16.804 -5.240 9.706 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.176 -4.079 9.759 1.00 0.00 O ATOM 219 OE2 GLU A 21 16.004 -5.737 10.483 1.00 0.00 O ATOM 0 H GLU A 21 15.906 -6.067 5.047 1.00 0.00 H new ATOM 0 HA GLU A 21 17.415 -7.880 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.862 -5.252 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.474 -5.733 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.427 -7.162 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.390 -5.818 8.354 1.00 0.00 H new ATOM 226 N LEU A 22 14.132 -8.069 6.993 1.00 0.00 N ATOM 227 CA LEU A 22 13.078 -8.960 7.568 1.00 0.00 C ATOM 228 C LEU A 22 13.100 -10.325 6.874 1.00 0.00 C ATOM 229 O LEU A 22 12.729 -11.326 7.452 1.00 0.00 O ATOM 230 CB LEU A 22 11.760 -8.245 7.304 1.00 0.00 C ATOM 231 CG LEU A 22 11.546 -7.185 8.378 1.00 0.00 C ATOM 232 CD1 LEU A 22 11.040 -5.904 7.724 1.00 0.00 C ATOM 233 CD2 LEU A 22 10.526 -7.699 9.390 1.00 0.00 C ATOM 0 H LEU A 22 13.787 -7.307 6.409 1.00 0.00 H new ATOM 0 HA LEU A 22 13.232 -9.143 8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.774 -7.783 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.937 -8.959 7.311 1.00 0.00 H new ATOM 0 HG LEU A 22 12.484 -6.975 8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.885 -5.142 8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.775 -5.549 7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.097 -6.104 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.368 -6.946 10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.583 -7.904 8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.898 -8.615 9.848 1.00 0.00 H new ATOM 245 N ASN A 23 13.555 -10.371 5.646 1.00 0.00 N ATOM 246 CA ASN A 23 13.632 -11.673 4.921 1.00 0.00 C ATOM 247 C ASN A 23 14.894 -12.432 5.356 1.00 0.00 C ATOM 248 O ASN A 23 15.064 -13.597 5.048 1.00 0.00 O ATOM 249 CB ASN A 23 13.714 -11.304 3.436 1.00 0.00 C ATOM 250 CG ASN A 23 12.313 -10.979 2.906 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.472 -11.850 2.805 1.00 0.00 O ATOM 252 ND2 ASN A 23 12.026 -9.753 2.560 1.00 0.00 N ATOM 0 H ASN A 23 13.876 -9.561 5.116 1.00 0.00 H new ATOM 0 HA ASN A 23 12.777 -12.316 5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.373 -10.446 3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.145 -12.129 2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.097 -9.527 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.731 -9.021 2.644 1.00 0.00 H new ATOM 259 N ALA A 24 15.779 -11.775 6.076 1.00 0.00 N ATOM 260 CA ALA A 24 17.022 -12.433 6.539 1.00 0.00 C ATOM 261 C ALA A 24 16.797 -13.084 7.904 1.00 0.00 C ATOM 262 O ALA A 24 17.338 -14.134 8.196 1.00 0.00 O ATOM 263 CB ALA A 24 18.038 -11.301 6.660 1.00 0.00 C ATOM 0 H ALA A 24 15.681 -10.800 6.359 1.00 0.00 H new ATOM 0 HA ALA A 24 17.353 -13.218 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.992 -11.703 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.170 -10.825 5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.678 -10.565 7.379 1.00 0.00 H new ATOM 269 N LYS A 25 16.000 -12.465 8.744 1.00 0.00 N ATOM 270 CA LYS A 25 15.734 -13.041 10.089 1.00 0.00 C ATOM 271 C LYS A 25 14.356 -13.712 10.103 1.00 0.00 C ATOM 272 O LYS A 25 14.107 -14.619 10.875 1.00 0.00 O ATOM 273 CB LYS A 25 15.798 -11.845 11.050 1.00 0.00 C ATOM 274 CG LYS A 25 14.593 -10.919 10.841 1.00 0.00 C ATOM 275 CD LYS A 25 15.050 -9.458 10.909 1.00 0.00 C ATOM 276 CE LYS A 25 15.344 -9.072 12.362 1.00 0.00 C ATOM 277 NZ LYS A 25 16.579 -8.239 12.302 1.00 0.00 N ATOM 0 H LYS A 25 15.524 -11.584 8.550 1.00 0.00 H new ATOM 0 HA LYS A 25 16.451 -13.811 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.816 -12.200 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.722 -11.290 10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.129 -11.121 9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.838 -11.110 11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.942 -9.318 10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.278 -8.807 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.514 -8.515 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.495 -9.956 12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.832 -7.924 13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.359 -8.802 11.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.409 -7.410 11.698 1.00 0.00 H new ATOM 291 N GLY A 26 13.461 -13.271 9.250 1.00 0.00 N ATOM 292 CA GLY A 26 12.100 -13.879 9.202 1.00 0.00 C ATOM 293 C GLY A 26 11.164 -13.109 10.133 1.00 0.00 C ATOM 294 O GLY A 26 10.225 -13.663 10.673 1.00 0.00 O ATOM 0 H GLY A 26 13.619 -12.514 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.716 -13.856 8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.147 -14.926 9.501 1.00 0.00 H new ATOM 298 N GLU A 27 11.410 -11.836 10.326 1.00 0.00 N ATOM 299 CA GLU A 27 10.526 -11.034 11.228 1.00 0.00 C ATOM 300 C GLU A 27 9.246 -10.621 10.491 1.00 0.00 C ATOM 301 O GLU A 27 9.243 -10.434 9.288 1.00 0.00 O ATOM 302 CB GLU A 27 11.347 -9.803 11.617 1.00 0.00 C ATOM 303 CG GLU A 27 12.051 -10.059 12.952 1.00 0.00 C ATOM 304 CD GLU A 27 11.058 -9.864 14.102 1.00 0.00 C ATOM 305 OE1 GLU A 27 10.896 -8.734 14.533 1.00 0.00 O ATOM 306 OE2 GLU A 27 10.477 -10.848 14.530 1.00 0.00 O ATOM 0 H GLU A 27 12.180 -11.320 9.901 1.00 0.00 H new ATOM 0 HA GLU A 27 10.216 -11.603 12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.082 -9.583 10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.698 -8.931 11.697 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.454 -11.072 12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.894 -9.378 13.067 1.00 0.00 H new ATOM 313 N LYS A 28 8.159 -10.485 11.209 1.00 0.00 N ATOM 314 CA LYS A 28 6.872 -10.088 10.567 1.00 0.00 C ATOM 315 C LYS A 28 6.473 -8.679 11.022 1.00 0.00 C ATOM 316 O LYS A 28 5.730 -8.509 11.971 1.00 0.00 O ATOM 317 CB LYS A 28 5.858 -11.128 11.054 1.00 0.00 C ATOM 318 CG LYS A 28 6.004 -12.412 10.233 1.00 0.00 C ATOM 319 CD LYS A 28 5.777 -13.630 11.134 1.00 0.00 C ATOM 320 CE LYS A 28 7.086 -14.415 11.281 1.00 0.00 C ATOM 321 NZ LYS A 28 7.756 -13.846 12.487 1.00 0.00 N ATOM 0 H LYS A 28 8.109 -10.633 12.217 1.00 0.00 H new ATOM 0 HA LYS A 28 6.934 -10.061 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.019 -11.340 12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.845 -10.736 10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.285 -12.415 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.997 -12.458 9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.422 -13.309 12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.004 -14.270 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.893 -15.481 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.712 -14.305 10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.752 -13.642 12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.276 -12.967 12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.707 -14.532 13.267 1.00 0.00 H new ATOM 335 N ARG A 29 6.970 -7.668 10.352 1.00 0.00 N ATOM 336 CA ARG A 29 6.630 -6.264 10.743 1.00 0.00 C ATOM 337 C ARG A 29 6.320 -5.420 9.501 1.00 0.00 C ATOM 338 O ARG A 29 6.015 -5.937 8.442 1.00 0.00 O ATOM 339 CB ARG A 29 7.884 -5.737 11.448 1.00 0.00 C ATOM 340 CG ARG A 29 7.482 -4.922 12.681 1.00 0.00 C ATOM 341 CD ARG A 29 8.644 -4.014 13.096 1.00 0.00 C ATOM 342 NE ARG A 29 8.574 -2.844 12.173 1.00 0.00 N ATOM 343 CZ ARG A 29 8.542 -1.629 12.656 1.00 0.00 C ATOM 344 NH1 ARG A 29 9.563 -0.831 12.482 1.00 0.00 N ATOM 345 NH2 ARG A 29 7.488 -1.214 13.311 1.00 0.00 N ATOM 0 H ARG A 29 7.596 -7.754 9.551 1.00 0.00 H new ATOM 0 HA ARG A 29 5.748 -6.218 11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.523 -6.569 11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.464 -5.117 10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.599 -4.322 12.461 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.218 -5.590 13.501 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.548 -3.702 14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.599 -4.531 13.005 1.00 0.00 H new ATOM 0 HE ARG A 29 8.551 -2.992 11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.383 -1.156 11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.539 0.117 12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.692 -1.838 13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.462 -0.267 13.688 1.00 0.00 H new ATOM 359 N LEU A 30 6.400 -4.119 9.633 1.00 0.00 N ATOM 360 CA LEU A 30 6.116 -3.217 8.479 1.00 0.00 C ATOM 361 C LEU A 30 7.358 -2.370 8.148 1.00 0.00 C ATOM 362 O LEU A 30 8.217 -2.155 8.985 1.00 0.00 O ATOM 363 CB LEU A 30 4.930 -2.348 8.944 1.00 0.00 C ATOM 364 CG LEU A 30 5.418 -1.115 9.717 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.795 0.145 9.110 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.998 -1.235 11.185 1.00 0.00 C ATOM 0 H LEU A 30 6.652 -3.642 10.498 1.00 0.00 H new ATOM 0 HA LEU A 30 5.873 -3.758 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.346 -2.032 8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.268 -2.939 9.577 1.00 0.00 H new ATOM 0 HG LEU A 30 6.504 -1.051 9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.140 1.022 9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.092 0.230 8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.709 0.081 9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.344 -0.360 11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.912 -1.298 11.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.439 -2.133 11.617 1.00 0.00 H new ATOM 378 N ILE A 31 7.456 -1.892 6.931 1.00 0.00 N ATOM 379 CA ILE A 31 8.634 -1.059 6.531 1.00 0.00 C ATOM 380 C ILE A 31 8.152 0.286 5.972 1.00 0.00 C ATOM 381 O ILE A 31 7.379 0.333 5.038 1.00 0.00 O ATOM 382 CB ILE A 31 9.353 -1.870 5.447 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.890 -3.172 6.053 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.518 -1.051 4.886 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.231 -4.368 5.362 1.00 0.00 C ATOM 0 H ILE A 31 6.767 -2.044 6.194 1.00 0.00 H new ATOM 0 HA ILE A 31 9.294 -0.841 7.371 1.00 0.00 H new ATOM 0 HB ILE A 31 8.653 -2.104 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.972 -3.221 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.685 -3.199 7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.030 -1.627 4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.137 -0.125 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.218 -0.817 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.613 -5.293 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.151 -4.320 5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.459 -4.343 4.296 1.00 0.00 H new ATOM 397 N LYS A 32 8.597 1.377 6.540 1.00 0.00 N ATOM 398 CA LYS A 32 8.148 2.719 6.045 1.00 0.00 C ATOM 399 C LYS A 32 9.186 3.335 5.098 1.00 0.00 C ATOM 400 O LYS A 32 10.372 3.084 5.209 1.00 0.00 O ATOM 401 CB LYS A 32 8.002 3.580 7.303 1.00 0.00 C ATOM 402 CG LYS A 32 6.892 3.015 8.197 1.00 0.00 C ATOM 403 CD LYS A 32 7.514 2.192 9.329 1.00 0.00 C ATOM 404 CE LYS A 32 6.849 2.557 10.659 1.00 0.00 C ATOM 405 NZ LYS A 32 7.416 1.602 11.652 1.00 0.00 N ATOM 0 H LYS A 32 9.250 1.400 7.323 1.00 0.00 H new ATOM 0 HA LYS A 32 7.218 2.647 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.945 3.603 7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.769 4.608 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.295 3.828 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.219 2.392 7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.389 1.128 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.586 2.382 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.064 3.589 10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.765 2.463 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.969 1.758 12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.234 0.627 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.442 1.754 11.733 1.00 0.00 H new ATOM 419 N THR A 33 8.738 4.152 4.172 1.00 0.00 N ATOM 420 CA THR A 33 9.682 4.812 3.212 1.00 0.00 C ATOM 421 C THR A 33 9.305 6.292 3.055 1.00 0.00 C ATOM 422 O THR A 33 8.212 6.696 3.406 1.00 0.00 O ATOM 423 CB THR A 33 9.506 4.063 1.884 1.00 0.00 C ATOM 424 OG1 THR A 33 9.578 2.660 2.112 1.00 0.00 O ATOM 425 CG2 THR A 33 10.613 4.476 0.910 1.00 0.00 C ATOM 0 H THR A 33 7.755 4.391 4.040 1.00 0.00 H new ATOM 0 HA THR A 33 10.716 4.775 3.554 1.00 0.00 H new ATOM 0 HB THR A 33 8.534 4.313 1.458 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.159 2.185 1.364 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.486 3.943 -0.032 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.557 5.550 0.730 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.585 4.230 1.338 1.00 0.00 H new ATOM 433 N TRP A 34 10.203 7.107 2.545 1.00 0.00 N ATOM 434 CA TRP A 34 9.892 8.565 2.378 1.00 0.00 C ATOM 435 C TRP A 34 10.483 9.101 1.066 1.00 0.00 C ATOM 436 O TRP A 34 10.974 10.214 1.007 1.00 0.00 O ATOM 437 CB TRP A 34 10.553 9.254 3.576 1.00 0.00 C ATOM 438 CG TRP A 34 9.947 8.752 4.845 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.879 9.296 5.461 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.352 7.612 5.653 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.604 8.568 6.606 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.488 7.519 6.767 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.380 6.663 5.526 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.638 6.517 7.726 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.534 5.653 6.489 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.665 5.580 7.587 1.00 0.00 C ATOM 0 H TRP A 34 11.134 6.826 2.239 1.00 0.00 H new ATOM 0 HA TRP A 34 8.818 8.747 2.337 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.626 9.060 3.573 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.424 10.334 3.503 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.328 10.159 5.118 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.843 8.780 7.251 1.00 0.00 H new ATOM 0 HE3 TRP A 34 12.055 6.711 4.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.965 6.466 8.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.327 4.928 6.383 1.00 0.00 H new ATOM 0 HH2 TRP A 34 10.789 4.801 8.324 1.00 0.00 H new ATOM 457 N SER A 35 10.443 8.321 0.016 1.00 0.00 N ATOM 458 CA SER A 35 11.008 8.789 -1.290 1.00 0.00 C ATOM 459 C SER A 35 9.982 9.661 -2.043 1.00 0.00 C ATOM 460 O SER A 35 9.812 10.824 -1.728 1.00 0.00 O ATOM 461 CB SER A 35 11.337 7.507 -2.059 1.00 0.00 C ATOM 462 OG SER A 35 12.415 6.837 -1.417 1.00 0.00 O ATOM 0 H SER A 35 10.045 7.382 0.004 1.00 0.00 H new ATOM 0 HA SER A 35 11.892 9.414 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.462 6.858 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.603 7.745 -3.089 1.00 0.00 H new ATOM 0 HG SER A 35 12.179 5.896 -1.278 1.00 0.00 H new ATOM 468 N ARG A 36 9.299 9.118 -3.028 1.00 0.00 N ATOM 469 CA ARG A 36 8.290 9.925 -3.788 1.00 0.00 C ATOM 470 C ARG A 36 7.243 8.992 -4.412 1.00 0.00 C ATOM 471 O ARG A 36 6.099 8.970 -3.998 1.00 0.00 O ATOM 472 CB ARG A 36 9.090 10.652 -4.877 1.00 0.00 C ATOM 473 CG ARG A 36 9.048 12.162 -4.624 1.00 0.00 C ATOM 474 CD ARG A 36 7.706 12.726 -5.104 1.00 0.00 C ATOM 475 NE ARG A 36 7.500 13.962 -4.298 1.00 0.00 N ATOM 476 CZ ARG A 36 6.688 13.950 -3.274 1.00 0.00 C ATOM 477 NH1 ARG A 36 7.141 13.654 -2.083 1.00 0.00 N ATOM 478 NH2 ARG A 36 5.421 14.232 -3.442 1.00 0.00 N ATOM 0 H ARG A 36 9.398 8.151 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 36 7.754 10.628 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.122 10.302 -4.879 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.675 10.426 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.181 12.367 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.868 12.652 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.730 12.949 -6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.898 12.012 -4.946 1.00 0.00 H new ATOM 0 HE ARG A 36 7.994 14.819 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.128 13.433 -1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.507 13.645 -1.284 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.068 14.461 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.786 14.223 -2.644 1.00 0.00 H new ATOM 492 N ARG A 37 7.636 8.207 -5.386 1.00 0.00 N ATOM 493 CA ARG A 37 6.678 7.250 -6.025 1.00 0.00 C ATOM 494 C ARG A 37 7.014 5.826 -5.559 1.00 0.00 C ATOM 495 O ARG A 37 7.178 4.914 -6.350 1.00 0.00 O ATOM 496 CB ARG A 37 6.863 7.412 -7.544 1.00 0.00 C ATOM 497 CG ARG A 37 8.326 7.178 -7.939 1.00 0.00 C ATOM 498 CD ARG A 37 8.980 8.514 -8.309 1.00 0.00 C ATOM 499 NE ARG A 37 10.029 8.170 -9.311 1.00 0.00 N ATOM 500 CZ ARG A 37 11.188 8.774 -9.280 1.00 0.00 C ATOM 501 NH1 ARG A 37 11.572 9.497 -10.300 1.00 0.00 N ATOM 502 NH2 ARG A 37 11.961 8.654 -8.231 1.00 0.00 N ATOM 0 H ARG A 37 8.582 8.188 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 37 5.641 7.444 -5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.221 6.706 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.554 8.412 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.866 6.714 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.380 6.490 -8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.250 9.208 -8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.415 8.996 -7.433 1.00 0.00 H new ATOM 0 HE ARG A 37 9.842 7.463 -10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.968 9.588 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.476 9.969 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.659 8.089 -7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.865 9.125 -8.207 1.00 0.00 H new ATOM 516 N SER A 38 7.131 5.656 -4.263 1.00 0.00 N ATOM 517 CA SER A 38 7.474 4.330 -3.663 1.00 0.00 C ATOM 518 C SER A 38 6.614 3.197 -4.246 1.00 0.00 C ATOM 519 O SER A 38 5.425 3.113 -3.997 1.00 0.00 O ATOM 520 CB SER A 38 7.183 4.517 -2.172 1.00 0.00 C ATOM 521 OG SER A 38 8.214 5.303 -1.588 1.00 0.00 O ATOM 0 H SER A 38 6.999 6.402 -3.580 1.00 0.00 H new ATOM 0 HA SER A 38 8.506 4.043 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.217 5.004 -2.036 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.124 3.548 -1.677 1.00 0.00 H new ATOM 0 HG SER A 38 8.325 5.050 -0.648 1.00 0.00 H new ATOM 527 N THR A 39 7.222 2.320 -5.009 1.00 0.00 N ATOM 528 CA THR A 39 6.468 1.173 -5.606 1.00 0.00 C ATOM 529 C THR A 39 6.821 -0.118 -4.860 1.00 0.00 C ATOM 530 O THR A 39 7.871 -0.226 -4.254 1.00 0.00 O ATOM 531 CB THR A 39 6.933 1.095 -7.066 1.00 0.00 C ATOM 532 OG1 THR A 39 6.467 2.237 -7.772 1.00 0.00 O ATOM 533 CG2 THR A 39 6.377 -0.174 -7.720 1.00 0.00 C ATOM 0 H THR A 39 8.214 2.350 -5.245 1.00 0.00 H new ATOM 0 HA THR A 39 5.388 1.305 -5.537 1.00 0.00 H new ATOM 0 HB THR A 39 8.022 1.066 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.572 2.058 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.710 -0.225 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.737 -1.050 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.288 -0.152 -7.689 1.00 0.00 H new ATOM 541 N ILE A 40 5.953 -1.098 -4.891 1.00 0.00 N ATOM 542 CA ILE A 40 6.246 -2.381 -4.168 1.00 0.00 C ATOM 543 C ILE A 40 7.236 -3.255 -4.959 1.00 0.00 C ATOM 544 O ILE A 40 7.511 -3.019 -6.121 1.00 0.00 O ATOM 545 CB ILE A 40 4.893 -3.092 -4.043 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.925 -2.220 -3.241 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.066 -4.429 -3.325 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.035 -1.436 -4.201 1.00 0.00 C ATOM 0 H ILE A 40 5.059 -1.069 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 40 6.707 -2.193 -3.198 1.00 0.00 H new ATOM 0 HB ILE A 40 4.496 -3.265 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.314 -2.842 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.481 -1.535 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.099 -4.925 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.750 -5.060 -3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.472 -4.257 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.345 -0.814 -3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.654 -0.803 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.470 -2.131 -4.822 1.00 0.00 H new ATOM 560 N VAL A 41 7.752 -4.276 -4.319 1.00 0.00 N ATOM 561 CA VAL A 41 8.715 -5.216 -4.983 1.00 0.00 C ATOM 562 C VAL A 41 8.364 -6.654 -4.595 1.00 0.00 C ATOM 563 O VAL A 41 7.455 -6.884 -3.819 1.00 0.00 O ATOM 564 CB VAL A 41 10.132 -4.862 -4.481 1.00 0.00 C ATOM 565 CG1 VAL A 41 10.993 -4.426 -5.669 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.094 -3.713 -3.461 1.00 0.00 C ATOM 0 H VAL A 41 7.544 -4.503 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 41 8.666 -5.127 -6.068 1.00 0.00 H new ATOM 0 HB VAL A 41 10.550 -5.746 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.995 -4.175 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.054 -5.239 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.544 -3.553 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.107 -3.489 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.661 -2.828 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.487 -4.007 -2.605 1.00 0.00 H new ATOM 576 N PRO A 42 9.089 -7.580 -5.162 1.00 0.00 N ATOM 577 CA PRO A 42 8.836 -9.015 -4.889 1.00 0.00 C ATOM 578 C PRO A 42 9.199 -9.380 -3.448 1.00 0.00 C ATOM 579 O PRO A 42 8.541 -10.194 -2.830 1.00 0.00 O ATOM 580 CB PRO A 42 9.733 -9.722 -5.892 1.00 0.00 C ATOM 581 CG PRO A 42 10.819 -8.752 -6.202 1.00 0.00 C ATOM 582 CD PRO A 42 10.205 -7.389 -6.102 1.00 0.00 C ATOM 0 HA PRO A 42 7.787 -9.293 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.137 -10.645 -5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.180 -9.993 -6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.647 -8.858 -5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.222 -8.925 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.919 -6.654 -5.732 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.856 -7.034 -7.072 1.00 0.00 H new ATOM 590 N GLU A 43 10.225 -8.778 -2.905 1.00 0.00 N ATOM 591 CA GLU A 43 10.617 -9.077 -1.494 1.00 0.00 C ATOM 592 C GLU A 43 9.526 -8.603 -0.514 1.00 0.00 C ATOM 593 O GLU A 43 9.570 -8.909 0.661 1.00 0.00 O ATOM 594 CB GLU A 43 11.915 -8.298 -1.266 1.00 0.00 C ATOM 595 CG GLU A 43 13.108 -9.138 -1.726 1.00 0.00 C ATOM 596 CD GLU A 43 13.678 -8.554 -3.022 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.303 -7.507 -2.955 1.00 0.00 O ATOM 598 OE2 GLU A 43 13.481 -9.163 -4.060 1.00 0.00 O ATOM 0 H GLU A 43 10.810 -8.090 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 43 10.746 -10.146 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.887 -7.357 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.020 -8.048 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.876 -9.151 -0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.798 -10.171 -1.886 1.00 0.00 H new ATOM 605 N MET A 44 8.553 -7.857 -0.991 1.00 0.00 N ATOM 606 CA MET A 44 7.460 -7.357 -0.094 1.00 0.00 C ATOM 607 C MET A 44 6.305 -8.370 -0.001 1.00 0.00 C ATOM 608 O MET A 44 5.318 -8.120 0.660 1.00 0.00 O ATOM 609 CB MET A 44 6.957 -6.064 -0.744 1.00 0.00 C ATOM 610 CG MET A 44 8.132 -5.166 -1.146 1.00 0.00 C ATOM 611 SD MET A 44 9.475 -5.319 0.056 1.00 0.00 S ATOM 612 CE MET A 44 10.837 -5.370 -1.133 1.00 0.00 C ATOM 0 H MET A 44 8.470 -7.573 -1.967 1.00 0.00 H new ATOM 0 HA MET A 44 7.829 -7.201 0.920 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.358 -6.302 -1.623 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.307 -5.531 -0.050 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.489 -5.444 -2.138 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.803 -4.129 -1.204 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.710 -5.826 -0.666 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.540 -5.959 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.082 -4.356 -1.449 1.00 0.00 H new ATOM 622 N VAL A 45 6.416 -9.499 -0.666 1.00 0.00 N ATOM 623 CA VAL A 45 5.322 -10.535 -0.646 1.00 0.00 C ATOM 624 C VAL A 45 4.920 -10.982 0.784 1.00 0.00 C ATOM 625 O VAL A 45 3.996 -11.758 0.947 1.00 0.00 O ATOM 626 CB VAL A 45 5.896 -11.715 -1.453 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.249 -12.145 -0.869 1.00 0.00 C ATOM 628 CG2 VAL A 45 4.926 -12.901 -1.411 1.00 0.00 C ATOM 0 H VAL A 45 7.228 -9.752 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 45 4.401 -10.133 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 45 6.034 -11.396 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.646 -12.980 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.947 -11.309 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.116 -12.452 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.340 -13.730 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.777 -13.213 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.970 -12.604 -1.842 1.00 0.00 H new ATOM 638 N GLY A 46 5.569 -10.497 1.814 1.00 0.00 N ATOM 639 CA GLY A 46 5.183 -10.897 3.199 1.00 0.00 C ATOM 640 C GLY A 46 5.449 -9.735 4.163 1.00 0.00 C ATOM 641 O GLY A 46 5.826 -9.946 5.300 1.00 0.00 O ATOM 0 H GLY A 46 6.349 -9.842 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.129 -11.173 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.751 -11.775 3.506 1.00 0.00 H new ATOM 645 N HIS A 47 5.266 -8.508 3.719 1.00 0.00 N ATOM 646 CA HIS A 47 5.527 -7.340 4.619 1.00 0.00 C ATOM 647 C HIS A 47 4.502 -6.225 4.388 1.00 0.00 C ATOM 648 O HIS A 47 4.005 -6.041 3.294 1.00 0.00 O ATOM 649 CB HIS A 47 6.928 -6.832 4.251 1.00 0.00 C ATOM 650 CG HIS A 47 7.923 -7.961 4.286 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.697 -8.239 5.401 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.278 -8.888 3.343 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.472 -9.297 5.101 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.256 -9.733 3.857 1.00 0.00 N ATOM 0 H HIS A 47 4.950 -8.270 2.779 1.00 0.00 H new ATOM 0 HA HIS A 47 5.454 -7.634 5.666 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.910 -6.386 3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.232 -6.050 4.946 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.861 -8.953 2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 47 10.183 -9.740 5.783 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.710 -10.516 3.386 1.00 0.00 H new ATOM 662 N THR A 48 4.226 -5.458 5.414 1.00 0.00 N ATOM 663 CA THR A 48 3.276 -4.319 5.292 1.00 0.00 C ATOM 664 C THR A 48 4.123 -3.056 5.137 1.00 0.00 C ATOM 665 O THR A 48 4.400 -2.358 6.090 1.00 0.00 O ATOM 666 CB THR A 48 2.476 -4.288 6.613 1.00 0.00 C ATOM 667 OG1 THR A 48 2.673 -5.498 7.339 1.00 0.00 O ATOM 668 CG2 THR A 48 0.987 -4.124 6.310 1.00 0.00 C ATOM 0 H THR A 48 4.628 -5.579 6.344 1.00 0.00 H new ATOM 0 HA THR A 48 2.593 -4.401 4.446 1.00 0.00 H new ATOM 0 HB THR A 48 2.827 -3.448 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.304 -6.249 6.829 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.426 -4.103 7.244 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.826 -3.192 5.769 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.645 -4.961 5.701 1.00 0.00 H new ATOM 676 N ILE A 49 4.585 -2.791 3.949 1.00 0.00 N ATOM 677 CA ILE A 49 5.474 -1.610 3.748 1.00 0.00 C ATOM 678 C ILE A 49 4.672 -0.335 3.520 1.00 0.00 C ATOM 679 O ILE A 49 3.894 -0.236 2.589 1.00 0.00 O ATOM 680 CB ILE A 49 6.322 -1.958 2.523 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.239 -3.133 2.875 1.00 0.00 C ATOM 682 CG2 ILE A 49 7.173 -0.751 2.114 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.966 -4.301 1.930 1.00 0.00 C ATOM 0 H ILE A 49 4.388 -3.337 3.110 1.00 0.00 H new ATOM 0 HA ILE A 49 6.087 -1.413 4.628 1.00 0.00 H new ATOM 0 HB ILE A 49 5.670 -2.228 1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.283 -2.828 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.071 -3.441 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.773 -1.008 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.521 0.088 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.831 -0.474 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.620 -5.135 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.926 -4.613 2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.156 -3.990 0.903 1.00 0.00 H new ATOM 695 N ALA A 50 4.880 0.653 4.358 1.00 0.00 N ATOM 696 CA ALA A 50 4.155 1.936 4.186 1.00 0.00 C ATOM 697 C ALA A 50 4.828 2.738 3.081 1.00 0.00 C ATOM 698 O ALA A 50 5.653 3.603 3.319 1.00 0.00 O ATOM 699 CB ALA A 50 4.227 2.653 5.531 1.00 0.00 C ATOM 0 H ALA A 50 5.521 0.619 5.150 1.00 0.00 H new ATOM 0 HA ALA A 50 3.113 1.795 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.707 3.608 5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.756 2.037 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.270 2.826 5.796 1.00 0.00 H new ATOM 705 N VAL A 51 4.481 2.421 1.864 1.00 0.00 N ATOM 706 CA VAL A 51 5.085 3.121 0.692 1.00 0.00 C ATOM 707 C VAL A 51 4.727 4.608 0.712 1.00 0.00 C ATOM 708 O VAL A 51 3.570 4.979 0.800 1.00 0.00 O ATOM 709 CB VAL A 51 4.495 2.439 -0.554 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.859 0.951 -0.557 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.966 2.591 -0.568 1.00 0.00 C ATOM 0 H VAL A 51 3.799 1.700 1.628 1.00 0.00 H new ATOM 0 HA VAL A 51 6.173 3.057 0.705 1.00 0.00 H new ATOM 0 HB VAL A 51 4.910 2.916 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.438 0.475 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.943 0.842 -0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.455 0.476 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.560 2.104 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.546 2.127 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.706 3.649 -0.584 1.00 0.00 H new ATOM 721 N TYR A 52 5.713 5.462 0.618 1.00 0.00 N ATOM 722 CA TYR A 52 5.429 6.923 0.613 1.00 0.00 C ATOM 723 C TYR A 52 4.781 7.298 -0.723 1.00 0.00 C ATOM 724 O TYR A 52 5.443 7.382 -1.741 1.00 0.00 O ATOM 725 CB TYR A 52 6.794 7.606 0.777 1.00 0.00 C ATOM 726 CG TYR A 52 6.614 9.095 0.976 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.711 9.575 1.933 1.00 0.00 C ATOM 728 CD2 TYR A 52 7.362 9.995 0.210 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.557 10.952 2.122 1.00 0.00 C ATOM 730 CE2 TYR A 52 7.210 11.373 0.400 1.00 0.00 C ATOM 731 CZ TYR A 52 6.308 11.852 1.357 1.00 0.00 C ATOM 732 OH TYR A 52 6.159 13.211 1.547 1.00 0.00 O ATOM 0 H TYR A 52 6.699 5.210 0.545 1.00 0.00 H new ATOM 0 HA TYR A 52 4.746 7.227 1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.322 7.179 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.409 7.421 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.133 8.881 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.058 9.626 -0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.858 11.321 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.789 12.067 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 52 5.564 13.574 0.859 1.00 0.00 H new ATOM 742 N ASN A 53 3.488 7.523 -0.724 1.00 0.00 N ATOM 743 CA ASN A 53 2.785 7.895 -1.994 1.00 0.00 C ATOM 744 C ASN A 53 3.174 9.321 -2.430 1.00 0.00 C ATOM 745 O ASN A 53 2.718 9.817 -3.444 1.00 0.00 O ATOM 746 CB ASN A 53 1.294 7.816 -1.637 1.00 0.00 C ATOM 747 CG ASN A 53 0.441 8.340 -2.797 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.178 7.626 -3.744 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.005 9.567 -2.760 1.00 0.00 N ATOM 0 H ASN A 53 2.889 7.465 0.100 1.00 0.00 H new ATOM 0 HA ASN A 53 3.046 7.242 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.021 6.785 -1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.097 8.401 -0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.574 9.926 -3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.216 10.166 -1.965 1.00 0.00 H new ATOM 756 N GLY A 54 3.997 9.987 -1.657 1.00 0.00 N ATOM 757 CA GLY A 54 4.397 11.383 -1.989 1.00 0.00 C ATOM 758 C GLY A 54 3.966 12.280 -0.828 1.00 0.00 C ATOM 759 O GLY A 54 4.479 13.366 -0.640 1.00 0.00 O ATOM 0 H GLY A 54 4.411 9.616 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.475 11.446 -2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.925 11.706 -2.917 1.00 0.00 H new ATOM 763 N LYS A 55 3.019 11.815 -0.045 1.00 0.00 N ATOM 764 CA LYS A 55 2.529 12.600 1.124 1.00 0.00 C ATOM 765 C LYS A 55 2.275 11.682 2.331 1.00 0.00 C ATOM 766 O LYS A 55 2.371 12.107 3.467 1.00 0.00 O ATOM 767 CB LYS A 55 1.213 13.250 0.672 1.00 0.00 C ATOM 768 CG LYS A 55 0.408 12.290 -0.214 1.00 0.00 C ATOM 769 CD LYS A 55 -1.036 12.782 -0.320 1.00 0.00 C ATOM 770 CE LYS A 55 -1.822 11.869 -1.265 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.210 12.414 -1.271 1.00 0.00 N ATOM 0 H LYS A 55 2.562 10.912 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 55 3.264 13.342 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.622 13.530 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.425 14.168 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.857 12.231 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.431 11.285 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.502 12.789 0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.055 13.807 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.392 11.875 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.806 10.836 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.807 11.838 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.597 12.389 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.196 13.396 -1.613 1.00 0.00 H new ATOM 785 N GLN A 56 1.921 10.438 2.094 1.00 0.00 N ATOM 786 CA GLN A 56 1.625 9.510 3.224 1.00 0.00 C ATOM 787 C GLN A 56 2.313 8.150 3.044 1.00 0.00 C ATOM 788 O GLN A 56 2.603 7.720 1.943 1.00 0.00 O ATOM 789 CB GLN A 56 0.093 9.390 3.183 1.00 0.00 C ATOM 790 CG GLN A 56 -0.361 7.975 2.806 1.00 0.00 C ATOM 791 CD GLN A 56 -1.103 7.340 3.987 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.438 7.004 5.059 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.301 7.150 3.933 1.00 0.00 N flip ATOM 0 H GLN A 56 1.826 10.030 1.164 1.00 0.00 H new ATOM 0 HA GLN A 56 1.997 9.874 4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.318 9.655 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.308 10.103 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.012 8.012 1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.501 7.366 2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.822 7.412 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.787 6.728 4.725 1.00 0.00 H new ATOM 802 N HIS A 57 2.539 7.466 4.136 1.00 0.00 N ATOM 803 CA HIS A 57 3.166 6.116 4.087 1.00 0.00 C ATOM 804 C HIS A 57 2.062 5.071 4.280 1.00 0.00 C ATOM 805 O HIS A 57 1.575 4.880 5.378 1.00 0.00 O ATOM 806 CB HIS A 57 4.152 6.073 5.267 1.00 0.00 C ATOM 807 CG HIS A 57 4.818 7.413 5.446 1.00 0.00 C ATOM 808 ND1 HIS A 57 4.514 8.249 6.509 1.00 0.00 N ATOM 809 CD2 HIS A 57 5.745 8.086 4.693 1.00 0.00 C ATOM 810 CE1 HIS A 57 5.246 9.368 6.366 1.00 0.00 C ATOM 811 NE2 HIS A 57 6.013 9.321 5.274 1.00 0.00 N ATOM 0 H HIS A 57 2.311 7.794 5.074 1.00 0.00 H new ATOM 0 HA HIS A 57 3.676 5.916 3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.624 5.798 6.180 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.906 5.306 5.091 1.00 0.00 H new ATOM 0 HD1 HIS A 57 3.855 8.051 7.262 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.198 7.714 3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.217 10.203 7.051 1.00 0.00 H new ATOM 819 N VAL A 58 1.647 4.413 3.229 1.00 0.00 N ATOM 820 CA VAL A 58 0.553 3.399 3.365 1.00 0.00 C ATOM 821 C VAL A 58 1.152 2.002 3.579 1.00 0.00 C ATOM 822 O VAL A 58 1.621 1.393 2.637 1.00 0.00 O ATOM 823 CB VAL A 58 -0.222 3.459 2.039 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.464 2.568 2.131 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.657 4.902 1.754 1.00 0.00 C ATOM 0 H VAL A 58 2.015 4.531 2.285 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.093 3.603 4.219 1.00 0.00 H new ATOM 0 HB VAL A 58 0.424 3.109 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.013 2.611 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.160 1.540 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.104 2.918 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.206 4.937 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.298 5.255 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.224 5.541 1.685 1.00 0.00 H new ATOM 835 N PRO A 59 1.124 1.537 4.818 1.00 0.00 N ATOM 836 CA PRO A 59 1.683 0.195 5.153 1.00 0.00 C ATOM 837 C PRO A 59 0.839 -0.878 4.487 1.00 0.00 C ATOM 838 O PRO A 59 -0.134 -1.366 5.033 1.00 0.00 O ATOM 839 CB PRO A 59 1.591 0.133 6.677 1.00 0.00 C ATOM 840 CG PRO A 59 0.502 1.093 7.025 1.00 0.00 C ATOM 841 CD PRO A 59 0.567 2.196 6.004 1.00 0.00 C ATOM 0 HA PRO A 59 2.705 0.038 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.356 -0.875 7.020 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.534 0.417 7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.471 0.601 7.004 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.639 1.487 8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.419 2.615 5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.200 3.017 6.341 1.00 0.00 H new ATOM 849 N VAL A 60 1.202 -1.217 3.289 1.00 0.00 N ATOM 850 CA VAL A 60 0.429 -2.235 2.527 1.00 0.00 C ATOM 851 C VAL A 60 1.074 -3.611 2.635 1.00 0.00 C ATOM 852 O VAL A 60 2.187 -3.814 2.187 1.00 0.00 O ATOM 853 CB VAL A 60 0.461 -1.774 1.064 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.375 -2.733 0.221 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.110 -0.356 0.950 1.00 0.00 C ATOM 0 H VAL A 60 2.008 -0.831 2.797 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.585 -2.321 2.917 1.00 0.00 H new ATOM 0 HB VAL A 60 1.491 -1.770 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.357 -2.412 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.037 -3.739 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.403 -2.734 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.084 -0.036 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.140 -0.349 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.487 0.327 1.554 1.00 0.00 H new ATOM 865 N TYR A 61 0.373 -4.570 3.185 1.00 0.00 N ATOM 866 CA TYR A 61 0.951 -5.934 3.250 1.00 0.00 C ATOM 867 C TYR A 61 0.915 -6.517 1.842 1.00 0.00 C ATOM 868 O TYR A 61 -0.129 -6.894 1.339 1.00 0.00 O ATOM 869 CB TYR A 61 0.083 -6.760 4.195 1.00 0.00 C ATOM 870 CG TYR A 61 0.850 -8.009 4.553 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.209 -8.922 3.551 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.225 -8.243 5.878 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.935 -10.066 3.872 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.956 -9.389 6.203 1.00 0.00 C ATOM 875 CZ TYR A 61 2.311 -10.304 5.201 1.00 0.00 C ATOM 876 OH TYR A 61 3.032 -11.435 5.524 1.00 0.00 O ATOM 0 H TYR A 61 -0.560 -4.465 3.584 1.00 0.00 H new ATOM 0 HA TYR A 61 1.978 -5.930 3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.156 -6.188 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.863 -7.016 3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.921 -8.737 2.527 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.951 -7.539 6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.208 -10.769 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.248 -9.570 7.227 1.00 0.00 H new ATOM 0 HH TYR A 61 3.211 -11.445 6.488 1.00 0.00 H new ATOM 886 N ILE A 62 2.037 -6.553 1.193 1.00 0.00 N ATOM 887 CA ILE A 62 2.077 -7.066 -0.199 1.00 0.00 C ATOM 888 C ILE A 62 2.197 -8.586 -0.235 1.00 0.00 C ATOM 889 O ILE A 62 2.869 -9.191 0.573 1.00 0.00 O ATOM 890 CB ILE A 62 3.319 -6.423 -0.818 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.201 -4.895 -0.737 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.450 -6.858 -2.282 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.256 -4.349 0.230 1.00 0.00 C ATOM 0 H ILE A 62 2.935 -6.247 1.568 1.00 0.00 H new ATOM 0 HA ILE A 62 1.162 -6.822 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 62 4.205 -6.744 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.338 -4.457 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.203 -4.615 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.336 -6.398 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.542 -7.943 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.566 -6.543 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.171 -3.264 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.099 -4.777 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.250 -4.617 -0.127 1.00 0.00 H new ATOM 905 N THR A 63 1.568 -9.186 -1.204 1.00 0.00 N ATOM 906 CA THR A 63 1.647 -10.660 -1.380 1.00 0.00 C ATOM 907 C THR A 63 2.450 -10.926 -2.659 1.00 0.00 C ATOM 908 O THR A 63 3.191 -10.073 -3.113 1.00 0.00 O ATOM 909 CB THR A 63 0.193 -11.140 -1.522 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.360 -10.637 -2.732 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.638 -10.644 -0.336 1.00 0.00 C ATOM 0 H THR A 63 0.991 -8.707 -1.895 1.00 0.00 H new ATOM 0 HA THR A 63 2.133 -11.178 -0.553 1.00 0.00 H new ATOM 0 HB THR A 63 0.178 -12.230 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.286 -10.945 -2.822 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.667 -10.988 -0.443 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.219 -11.036 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.620 -9.554 -0.310 1.00 0.00 H new ATOM 919 N GLU A 64 2.314 -12.077 -3.261 1.00 0.00 N ATOM 920 CA GLU A 64 3.079 -12.337 -4.517 1.00 0.00 C ATOM 921 C GLU A 64 2.266 -11.913 -5.757 1.00 0.00 C ATOM 922 O GLU A 64 2.583 -12.296 -6.869 1.00 0.00 O ATOM 923 CB GLU A 64 3.337 -13.846 -4.526 1.00 0.00 C ATOM 924 CG GLU A 64 4.539 -14.151 -5.423 1.00 0.00 C ATOM 925 CD GLU A 64 5.838 -13.932 -4.640 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.344 -12.820 -4.668 1.00 0.00 O ATOM 927 OE2 GLU A 64 6.303 -14.877 -4.027 1.00 0.00 O ATOM 0 H GLU A 64 1.715 -12.840 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 64 4.007 -11.765 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.527 -14.200 -3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.455 -14.375 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.487 -15.180 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.521 -13.508 -6.303 1.00 0.00 H new ATOM 934 N ASN A 65 1.215 -11.136 -5.582 1.00 0.00 N ATOM 935 CA ASN A 65 0.389 -10.714 -6.763 1.00 0.00 C ATOM 936 C ASN A 65 -0.023 -9.226 -6.696 1.00 0.00 C ATOM 937 O ASN A 65 -0.479 -8.671 -7.679 1.00 0.00 O ATOM 938 CB ASN A 65 -0.853 -11.607 -6.704 1.00 0.00 C ATOM 939 CG ASN A 65 -1.458 -11.737 -8.104 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.073 -12.602 -8.866 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.394 -10.908 -8.478 1.00 0.00 N ATOM 0 H ASN A 65 0.898 -10.780 -4.680 1.00 0.00 H new ATOM 0 HA ASN A 65 0.953 -10.819 -7.690 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.588 -12.591 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.586 -11.183 -6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.802 -10.986 -9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.717 -10.182 -7.839 1.00 0.00 H new ATOM 948 N MET A 66 0.125 -8.571 -5.566 1.00 0.00 N ATOM 949 CA MET A 66 -0.269 -7.130 -5.472 1.00 0.00 C ATOM 950 C MET A 66 0.904 -6.228 -5.885 1.00 0.00 C ATOM 951 O MET A 66 0.710 -5.108 -6.316 1.00 0.00 O ATOM 952 CB MET A 66 -0.631 -6.919 -4.002 1.00 0.00 C ATOM 953 CG MET A 66 -1.701 -7.929 -3.568 1.00 0.00 C ATOM 954 SD MET A 66 -3.324 -7.388 -4.160 1.00 0.00 S ATOM 955 CE MET A 66 -3.419 -8.482 -5.599 1.00 0.00 C ATOM 0 H MET A 66 0.501 -8.973 -4.707 1.00 0.00 H new ATOM 0 HA MET A 66 -1.099 -6.881 -6.134 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.258 -7.031 -3.382 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.998 -5.903 -3.853 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.467 -8.916 -3.968 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.711 -8.019 -2.482 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.345 -9.056 -5.559 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.401 -7.886 -6.511 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.569 -9.164 -5.595 1.00 0.00 H new ATOM 965 N VAL A 67 2.115 -6.710 -5.759 1.00 0.00 N ATOM 966 CA VAL A 67 3.311 -5.888 -6.143 1.00 0.00 C ATOM 967 C VAL A 67 3.353 -5.631 -7.657 1.00 0.00 C ATOM 968 O VAL A 67 2.710 -6.312 -8.434 1.00 0.00 O ATOM 969 CB VAL A 67 4.530 -6.728 -5.735 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.427 -8.132 -6.346 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.802 -6.056 -6.256 1.00 0.00 C ATOM 0 H VAL A 67 2.331 -7.642 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 67 3.285 -4.914 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 67 4.562 -6.805 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.295 -8.721 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.520 -8.619 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.392 -8.054 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.670 -6.649 -5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.756 -5.983 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.887 -5.057 -5.828 1.00 0.00 H new ATOM 981 N GLY A 68 4.140 -4.666 -8.074 1.00 0.00 N ATOM 982 CA GLY A 68 4.270 -4.372 -9.529 1.00 0.00 C ATOM 983 C GLY A 68 3.796 -2.953 -9.849 1.00 0.00 C ATOM 984 O GLY A 68 4.049 -2.451 -10.928 1.00 0.00 O ATOM 0 H GLY A 68 4.698 -4.070 -7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.309 -4.489 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.686 -5.092 -10.102 1.00 0.00 H new ATOM 988 N HIS A 69 3.090 -2.304 -8.950 1.00 0.00 N ATOM 989 CA HIS A 69 2.594 -0.937 -9.260 1.00 0.00 C ATOM 990 C HIS A 69 2.991 0.066 -8.169 1.00 0.00 C ATOM 991 O HIS A 69 3.940 0.807 -8.321 1.00 0.00 O ATOM 992 CB HIS A 69 1.072 -1.090 -9.337 1.00 0.00 C ATOM 993 CG HIS A 69 0.710 -1.966 -10.512 1.00 0.00 C ATOM 994 ND1 HIS A 69 1.025 -3.270 -10.820 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.084 -1.514 -11.554 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.437 -3.620 -12.031 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.219 -2.527 -12.431 1.00 0.00 N flip ATOM 0 H HIS A 69 2.842 -2.663 -8.028 1.00 0.00 H new ATOM 0 HA HIS A 69 3.021 -0.548 -10.185 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.693 -1.528 -8.414 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.603 -0.112 -9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.516 -0.528 -11.646 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.498 -4.571 -12.539 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -0.757 -2.467 -13.296 1.00 0.00 H new ATOM 1005 N LYS A 70 2.255 0.105 -7.085 1.00 0.00 N ATOM 1006 CA LYS A 70 2.563 1.070 -5.972 1.00 0.00 C ATOM 1007 C LYS A 70 1.515 0.950 -4.860 1.00 0.00 C ATOM 1008 O LYS A 70 1.796 1.146 -3.692 1.00 0.00 O ATOM 1009 CB LYS A 70 2.530 2.481 -6.582 1.00 0.00 C ATOM 1010 CG LYS A 70 1.363 2.608 -7.564 1.00 0.00 C ATOM 1011 CD LYS A 70 0.152 3.219 -6.855 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.642 4.083 -7.840 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.850 3.277 -8.183 1.00 0.00 N ATOM 0 H LYS A 70 1.446 -0.494 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 70 3.537 0.858 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.431 3.224 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.470 2.685 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.654 3.232 -8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.105 1.628 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.484 2.429 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.480 3.823 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.920 5.037 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.053 4.308 -8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.442 3.807 -8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.556 2.378 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.395 3.084 -7.319 1.00 0.00 H new ATOM 1027 N LEU A 71 0.313 0.629 -5.254 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.842 0.477 -4.301 1.00 0.00 C ATOM 1029 C LEU A 71 -2.165 0.245 -5.074 1.00 0.00 C ATOM 1030 O LEU A 71 -3.149 -0.182 -4.499 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.913 1.789 -3.489 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.739 2.850 -4.231 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -3.166 2.875 -3.676 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -1.096 4.226 -4.032 1.00 0.00 C ATOM 0 H LEU A 71 0.069 0.459 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.700 -0.385 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.358 1.594 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.094 2.166 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.767 2.606 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.749 3.629 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.627 1.897 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.139 3.117 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.681 4.980 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.068 4.464 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.080 4.214 -4.427 1.00 0.00 H new ATOM 1046 N GLY A 72 -2.200 0.524 -6.368 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.452 0.323 -7.161 1.00 0.00 C ATOM 1048 C GLY A 72 -3.756 -1.172 -7.315 1.00 0.00 C ATOM 1049 O GLY A 72 -4.871 -1.552 -7.608 1.00 0.00 O ATOM 0 H GLY A 72 -1.408 0.883 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.286 0.821 -6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.344 0.781 -8.144 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.781 -2.020 -7.096 1.00 0.00 N ATOM 1054 CA GLU A 73 -3.026 -3.493 -7.203 1.00 0.00 C ATOM 1055 C GLU A 73 -3.587 -4.004 -5.879 1.00 0.00 C ATOM 1056 O GLU A 73 -4.216 -5.042 -5.811 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.658 -4.116 -7.469 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.320 -3.994 -8.953 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.082 -5.386 -9.542 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -0.047 -5.964 -9.252 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -1.940 -5.853 -10.272 1.00 0.00 O ATOM 0 H GLU A 73 -1.827 -1.757 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.738 -3.741 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.897 -3.616 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.660 -5.165 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.134 -3.499 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.432 -3.376 -9.084 1.00 0.00 H new