USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.971 USER MOD Single : A 34 HIS : no HD1:sc= -0.403 X(o=-0.4,f=0.034) USER MOD Single : A 41 GLN : amide:sc=-0.00165 X(o=-0.0016,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.522 K(o=-0.52,f=-3.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 47 HIS :FLIP no HD1:sc= -1.52 F(o=-3.3!,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.075) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.081 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.228 F(o=-1.5,f=-0.23) USER MOD Single : A 64 THR OG1 : rot 133:sc= -3.28! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0697 K(o=-0.07,f=-1.5!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -146:sc= -0.249 (180deg=-1.37!) USER MOD Single : A 94 LYS NZ :NH3+ -107:sc= -2.93 (180deg=-5.84!) USER MOD Single : A 98 TYR OH : rot -32:sc= 0.0645 USER MOD Single : A 102 SER OG : rot 75:sc= 1.96 USER MOD Single : A 201 HEC O2A : rot -140:sc= -0.645 USER MOD Single : A 201 HEC O2D : rot 143:sc= -0.198 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -10.803 -7.628 -6.638 1.00 1.00 N ATOM 2 CA ALA A 25 -11.406 -8.706 -5.872 1.00 1.00 C ATOM 3 C ALA A 25 -10.302 -9.558 -5.243 1.00 1.00 C ATOM 4 O ALA A 25 -9.297 -9.854 -5.888 1.00 1.00 O ATOM 5 CB ALA A 25 -12.329 -9.523 -6.778 1.00 1.00 C ATOM 0 HA ALA A 25 -12.016 -8.306 -5.062 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -12.781 -10.331 -6.203 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -13.113 -8.878 -7.175 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -11.752 -9.943 -7.602 1.00 1.00 H new ATOM 11 N GLY A 26 -10.526 -9.930 -3.991 1.00 1.00 N ATOM 12 CA GLY A 26 -9.563 -10.743 -3.268 1.00 1.00 C ATOM 13 C GLY A 26 -8.532 -9.867 -2.553 1.00 1.00 C ATOM 14 O GLY A 26 -8.434 -9.892 -1.327 1.00 1.00 O ATOM 0 H GLY A 26 -11.361 -9.683 -3.459 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.082 -11.367 -2.541 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.056 -11.415 -3.961 1.00 1.00 H new ATOM 18 N GLY A 27 -7.791 -9.111 -3.350 1.00 1.00 N ATOM 19 CA GLY A 27 -6.771 -8.229 -2.809 1.00 1.00 C ATOM 20 C GLY A 27 -7.386 -7.199 -1.859 1.00 1.00 C ATOM 21 O GLY A 27 -6.750 -6.786 -0.890 1.00 1.00 O ATOM 0 H GLY A 27 -7.877 -9.091 -4.366 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.021 -8.816 -2.279 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -6.258 -7.717 -3.623 1.00 1.00 H new ATOM 25 N GLY A 28 -8.615 -6.814 -2.169 1.00 1.00 N ATOM 26 CA GLY A 28 -9.323 -5.841 -1.355 1.00 1.00 C ATOM 27 C GLY A 28 -9.630 -6.407 0.033 1.00 1.00 C ATOM 28 O GLY A 28 -9.567 -5.687 1.028 1.00 1.00 O ATOM 0 H GLY A 28 -9.139 -7.159 -2.973 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.722 -4.937 -1.258 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -10.252 -5.555 -1.849 1.00 1.00 H new ATOM 32 N GLU A 29 -9.956 -7.691 0.054 1.00 1.00 N ATOM 33 CA GLU A 29 -10.273 -8.361 1.303 1.00 1.00 C ATOM 34 C GLU A 29 -9.075 -8.309 2.254 1.00 1.00 C ATOM 35 O GLU A 29 -9.237 -8.413 3.468 1.00 1.00 O ATOM 36 CB GLU A 29 -10.712 -9.806 1.054 1.00 1.00 C ATOM 37 CG GLU A 29 -11.296 -10.428 2.324 1.00 1.00 C ATOM 38 CD GLU A 29 -12.826 -10.407 2.291 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.429 -9.329 2.180 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.389 -11.564 2.384 1.00 1.00 O ATOM 0 H GLU A 29 -10.007 -8.285 -0.774 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.106 -7.837 1.771 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.455 -9.832 0.257 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -9.860 -10.395 0.715 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -10.945 -11.455 2.425 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -10.940 -9.882 3.198 1.00 1.00 H new ATOM 48 N LEU A 30 -7.900 -8.146 1.664 1.00 1.00 N ATOM 49 CA LEU A 30 -6.675 -8.078 2.443 1.00 1.00 C ATOM 50 C LEU A 30 -6.393 -6.622 2.817 1.00 1.00 C ATOM 51 O LEU A 30 -6.003 -6.331 3.947 1.00 1.00 O ATOM 52 CB LEU A 30 -5.525 -8.754 1.693 1.00 1.00 C ATOM 53 CG LEU A 30 -5.780 -10.188 1.225 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.475 -10.870 0.810 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.530 -10.988 2.293 1.00 1.00 C ATOM 0 H LEU A 30 -7.770 -8.059 0.656 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.786 -8.631 3.376 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.279 -8.147 0.822 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.647 -8.755 2.339 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.418 -10.151 0.342 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.685 -11.888 0.482 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.017 -10.312 -0.007 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.792 -10.896 1.659 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.699 -12.004 1.935 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.937 -11.019 3.207 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.489 -10.512 2.498 1.00 1.00 H new ATOM 67 N PHE A 31 -6.603 -5.744 1.846 1.00 1.00 N ATOM 68 CA PHE A 31 -6.377 -4.325 2.059 1.00 1.00 C ATOM 69 C PHE A 31 -7.457 -3.727 2.963 1.00 1.00 C ATOM 70 O PHE A 31 -7.282 -2.639 3.510 1.00 1.00 O ATOM 71 CB PHE A 31 -6.445 -3.650 0.688 1.00 1.00 C ATOM 72 CG PHE A 31 -6.482 -2.122 0.748 1.00 1.00 C ATOM 73 CD1 PHE A 31 -7.585 -1.486 1.225 1.00 1.00 C ATOM 74 CD2 PHE A 31 -5.411 -1.398 0.323 1.00 1.00 C ATOM 75 CE1 PHE A 31 -7.620 -0.067 1.280 1.00 1.00 C ATOM 76 CE2 PHE A 31 -5.445 0.020 0.378 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.549 0.656 0.856 1.00 1.00 C ATOM 0 H PHE A 31 -6.927 -5.989 0.910 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.412 -4.171 2.541 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.582 -3.959 0.099 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.332 -4.004 0.164 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -8.435 -2.060 1.562 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -4.535 -1.903 -0.056 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -8.497 0.437 1.658 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -4.595 0.594 0.041 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.575 1.735 0.899 1.00 1.00 H new ATOM 87 N ALA A 32 -8.550 -4.464 3.093 1.00 1.00 N ATOM 88 CA ALA A 32 -9.658 -4.021 3.921 1.00 1.00 C ATOM 89 C ALA A 32 -9.537 -4.653 5.309 1.00 1.00 C ATOM 90 O ALA A 32 -10.528 -5.115 5.873 1.00 1.00 O ATOM 91 CB ALA A 32 -10.980 -4.371 3.234 1.00 1.00 C ATOM 0 H ALA A 32 -8.692 -5.366 2.638 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.633 -2.939 4.049 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.812 -4.039 3.855 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -11.029 -3.874 2.265 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.042 -5.450 3.092 1.00 1.00 H new ATOM 97 N THR A 33 -8.315 -4.653 5.819 1.00 1.00 N ATOM 98 CA THR A 33 -8.051 -5.220 7.130 1.00 1.00 C ATOM 99 C THR A 33 -6.603 -4.955 7.545 1.00 1.00 C ATOM 100 O THR A 33 -6.327 -4.685 8.713 1.00 1.00 O ATOM 101 CB THR A 33 -8.407 -6.708 7.082 1.00 1.00 C ATOM 102 OG1 THR A 33 -9.784 -6.748 7.446 1.00 1.00 O ATOM 103 CG2 THR A 33 -7.708 -7.513 8.180 1.00 1.00 C ATOM 0 H THR A 33 -7.496 -4.269 5.348 1.00 1.00 H new ATOM 0 HA THR A 33 -8.666 -4.748 7.896 1.00 1.00 H new ATOM 0 HB THR A 33 -8.138 -7.114 6.107 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.332 -6.458 6.687 1.00 1.00 H new ATOM 0 HG21 THR A 33 -7.995 -8.562 8.101 1.00 1.00 H new ATOM 0 HG22 THR A 33 -6.628 -7.423 8.066 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.003 -7.129 9.157 1.00 1.00 H new ATOM 111 N HIS A 34 -5.715 -5.041 6.565 1.00 1.00 N ATOM 112 CA HIS A 34 -4.301 -4.814 6.814 1.00 1.00 C ATOM 113 C HIS A 34 -3.911 -3.421 6.316 1.00 1.00 C ATOM 114 O HIS A 34 -2.745 -3.035 6.391 1.00 1.00 O ATOM 115 CB HIS A 34 -3.455 -5.925 6.191 1.00 1.00 C ATOM 116 CG HIS A 34 -3.871 -7.317 6.600 1.00 1.00 C ATOM 117 ND1 HIS A 34 -3.493 -7.890 7.802 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.637 -8.244 5.957 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.012 -9.107 7.867 1.00 1.00 C ATOM 120 NE2 HIS A 34 -4.721 -9.325 6.723 1.00 1.00 N ATOM 0 H HIS A 34 -5.947 -5.265 5.597 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.106 -4.847 7.886 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.511 -5.845 5.105 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.412 -5.772 6.469 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.098 -8.120 4.988 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -3.894 -9.804 8.683 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.232 -10.178 6.494 1.00 1.00 H new ATOM 128 N CYS A 35 -4.908 -2.703 5.819 1.00 1.00 N ATOM 129 CA CYS A 35 -4.683 -1.361 5.310 1.00 1.00 C ATOM 130 C CYS A 35 -5.882 -0.493 5.696 1.00 1.00 C ATOM 131 O CYS A 35 -5.713 0.613 6.206 1.00 1.00 O ATOM 132 CB CYS A 35 -4.443 -1.363 3.799 1.00 1.00 C ATOM 133 SG CYS A 35 -3.421 -2.751 3.185 1.00 1.00 S ATOM 0 H CYS A 35 -5.874 -3.026 5.758 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.778 -0.947 5.755 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.408 -1.389 3.292 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.962 -0.425 3.521 1.00 1.00 H new ATOM 138 N ALA A 36 -7.067 -1.028 5.439 1.00 1.00 N ATOM 139 CA ALA A 36 -8.294 -0.317 5.754 1.00 1.00 C ATOM 140 C ALA A 36 -8.129 0.407 7.092 1.00 1.00 C ATOM 141 O ALA A 36 -8.646 1.508 7.273 1.00 1.00 O ATOM 142 CB ALA A 36 -9.466 -1.299 5.763 1.00 1.00 C ATOM 0 H ALA A 36 -7.203 -1.946 5.016 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.507 0.436 4.995 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.386 -0.765 5.999 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.558 -1.764 4.782 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.290 -2.069 6.514 1.00 1.00 H new ATOM 148 N GLY A 37 -7.408 -0.241 7.994 1.00 1.00 N ATOM 149 CA GLY A 37 -7.169 0.327 9.310 1.00 1.00 C ATOM 150 C GLY A 37 -6.033 1.350 9.268 1.00 1.00 C ATOM 151 O GLY A 37 -5.128 1.314 10.100 1.00 1.00 O ATOM 0 H GLY A 37 -6.981 -1.154 7.840 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.079 0.804 9.675 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.921 -0.468 10.013 1.00 1.00 H new ATOM 155 N CYS A 38 -6.117 2.240 8.289 1.00 1.00 N ATOM 156 CA CYS A 38 -5.107 3.272 8.127 1.00 1.00 C ATOM 157 C CYS A 38 -5.315 3.937 6.765 1.00 1.00 C ATOM 158 O CYS A 38 -5.049 5.127 6.605 1.00 1.00 O ATOM 159 CB CYS A 38 -3.693 2.708 8.278 1.00 1.00 C ATOM 160 SG CYS A 38 -2.979 3.230 9.880 1.00 1.00 S ATOM 0 H CYS A 38 -6.869 2.267 7.600 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.215 4.018 8.914 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.718 1.620 8.219 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -3.064 3.057 7.459 1.00 1.00 H new ATOM 165 N HIS A 39 -5.787 3.139 5.818 1.00 1.00 N ATOM 166 CA HIS A 39 -6.033 3.636 4.475 1.00 1.00 C ATOM 167 C HIS A 39 -7.522 3.515 4.148 1.00 1.00 C ATOM 168 O HIS A 39 -7.932 2.833 3.212 1.00 1.00 O ATOM 169 CB HIS A 39 -5.143 2.918 3.459 1.00 1.00 C ATOM 170 CG HIS A 39 -3.689 3.322 3.522 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.259 4.613 3.273 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.573 2.592 3.809 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.941 4.648 3.405 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.518 3.395 3.737 1.00 1.00 N ATOM 0 H HIS A 39 -6.005 2.152 5.954 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.769 4.692 4.420 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.218 1.843 3.622 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.521 3.116 2.456 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.855 5.404 3.029 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.551 1.540 4.053 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.312 5.516 3.273 1.00 1.00 H new ATOM 182 N PRO A 40 -8.334 4.205 4.953 1.00 1.00 N ATOM 183 CA PRO A 40 -9.776 4.235 4.826 1.00 1.00 C ATOM 184 C PRO A 40 -10.164 5.091 3.629 1.00 1.00 C ATOM 185 O PRO A 40 -9.677 6.215 3.519 1.00 1.00 O ATOM 186 CB PRO A 40 -10.270 4.859 6.129 1.00 1.00 C ATOM 187 CG PRO A 40 -9.087 5.890 6.422 1.00 1.00 C ATOM 188 CD PRO A 40 -7.887 5.017 6.063 1.00 1.00 C ATOM 0 HA PRO A 40 -10.210 3.248 4.665 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -11.233 5.355 6.012 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.385 4.123 6.924 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -9.151 6.786 5.805 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -9.068 6.220 7.461 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -7.026 5.625 5.786 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.582 4.398 6.907 1.00 1.00 H new ATOM 196 N GLN A 41 -11.018 4.556 2.769 1.00 1.00 N ATOM 197 CA GLN A 41 -11.452 5.288 1.592 1.00 1.00 C ATOM 198 C GLN A 41 -10.253 5.939 0.899 1.00 1.00 C ATOM 199 O GLN A 41 -10.270 7.136 0.616 1.00 1.00 O ATOM 200 CB GLN A 41 -12.509 6.333 1.955 1.00 1.00 C ATOM 201 CG GLN A 41 -13.920 5.797 1.705 1.00 1.00 C ATOM 202 CD GLN A 41 -14.977 6.824 2.114 1.00 1.00 C ATOM 203 OE1 GLN A 41 -15.094 7.208 3.266 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.739 7.245 1.109 1.00 1.00 N ATOM 0 H GLN A 41 -11.421 3.624 2.864 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.909 4.583 0.898 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.403 6.613 3.003 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -12.350 7.236 1.366 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -14.037 5.550 0.650 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -14.067 4.875 2.267 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.588 6.882 0.168 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.475 7.930 1.279 1.00 1.00 H new ATOM 213 N GLY A 42 -9.241 5.122 0.646 1.00 1.00 N ATOM 214 CA GLY A 42 -8.036 5.603 -0.008 1.00 1.00 C ATOM 215 C GLY A 42 -7.485 6.842 0.701 1.00 1.00 C ATOM 216 O GLY A 42 -6.714 7.603 0.118 1.00 1.00 O ATOM 0 H GLY A 42 -9.231 4.130 0.882 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.281 4.816 -0.012 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -8.253 5.842 -1.049 1.00 1.00 H new ATOM 220 N GLY A 43 -7.902 7.006 1.947 1.00 1.00 N ATOM 221 CA GLY A 43 -7.460 8.139 2.742 1.00 1.00 C ATOM 222 C GLY A 43 -6.365 7.725 3.727 1.00 1.00 C ATOM 223 O GLY A 43 -5.680 6.725 3.514 1.00 1.00 O ATOM 0 H GLY A 43 -8.542 6.373 2.426 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -7.085 8.924 2.085 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -8.306 8.557 3.288 1.00 1.00 H new ATOM 227 N ASN A 44 -6.234 8.513 4.783 1.00 1.00 N ATOM 228 CA ASN A 44 -5.234 8.241 5.801 1.00 1.00 C ATOM 229 C ASN A 44 -5.627 8.950 7.099 1.00 1.00 C ATOM 230 O ASN A 44 -6.208 10.034 7.066 1.00 1.00 O ATOM 231 CB ASN A 44 -3.859 8.760 5.376 1.00 1.00 C ATOM 232 CG ASN A 44 -2.877 7.606 5.170 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.118 6.474 5.559 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.759 7.953 4.539 1.00 1.00 N ATOM 0 H ASN A 44 -6.804 9.341 4.956 1.00 1.00 H new ATOM 0 HA ASN A 44 -5.183 7.162 5.943 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.952 9.332 4.453 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -3.472 9.440 6.135 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.040 7.254 4.354 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.621 8.918 4.240 1.00 1.00 H new ATOM 241 N THR A 45 -5.294 8.310 8.210 1.00 1.00 N ATOM 242 CA THR A 45 -5.605 8.866 9.516 1.00 1.00 C ATOM 243 C THR A 45 -4.323 9.293 10.232 1.00 1.00 C ATOM 244 O THR A 45 -4.370 9.777 11.362 1.00 1.00 O ATOM 245 CB THR A 45 -6.417 7.826 10.291 1.00 1.00 C ATOM 246 OG1 THR A 45 -5.644 6.634 10.187 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.735 7.477 9.599 1.00 1.00 C ATOM 0 H THR A 45 -4.812 7.411 8.233 1.00 1.00 H new ATOM 0 HA THR A 45 -6.207 9.770 9.428 1.00 1.00 H new ATOM 0 HB THR A 45 -6.622 8.200 11.294 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.097 5.908 10.664 1.00 1.00 H new ATOM 0 HG21 THR A 45 -8.271 6.735 10.191 1.00 1.00 H new ATOM 0 HG22 THR A 45 -8.345 8.375 9.504 1.00 1.00 H new ATOM 0 HG23 THR A 45 -7.530 7.071 8.608 1.00 1.00 H new ATOM 255 N VAL A 46 -3.206 9.099 9.545 1.00 1.00 N ATOM 256 CA VAL A 46 -1.913 9.459 10.102 1.00 1.00 C ATOM 257 C VAL A 46 -1.386 10.707 9.391 1.00 1.00 C ATOM 258 O VAL A 46 -1.095 11.715 10.033 1.00 1.00 O ATOM 259 CB VAL A 46 -0.955 8.269 10.011 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.414 8.621 10.597 1.00 1.00 C ATOM 261 CG2 VAL A 46 -1.545 7.036 10.698 1.00 1.00 C ATOM 0 H VAL A 46 -3.170 8.697 8.608 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.007 9.703 11.160 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.817 8.030 8.956 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.076 7.758 10.520 1.00 1.00 H new ATOM 0 HG12 VAL A 46 0.842 9.457 10.044 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.301 8.899 11.645 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.844 6.205 10.619 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.727 7.258 11.749 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -2.484 6.766 10.216 1.00 1.00 H new ATOM 271 N HIS A 47 -1.278 10.598 8.075 1.00 1.00 N ATOM 272 CA HIS A 47 -0.791 11.705 7.270 1.00 1.00 C ATOM 273 C HIS A 47 -1.893 12.170 6.317 1.00 1.00 C ATOM 274 O HIS A 47 -2.353 11.438 5.443 1.00 1.00 O ATOM 275 CB HIS A 47 0.499 11.322 6.543 1.00 1.00 C ATOM 276 CG HIS A 47 1.683 11.120 7.458 1.00 1.00 C ATOM 277 ND1 HIS A 47 1.799 11.262 8.810 1.00 1.00 N flip ATOM 278 CD2 HIS A 47 2.928 10.726 6.998 1.00 1.00 C flip ATOM 279 CE1 HIS A 47 3.047 10.970 9.157 1.00 1.00 C flip ATOM 280 NE2 HIS A 47 3.748 10.638 8.035 1.00 1.00 N flip ATOM 0 H HIS A 47 -1.519 9.760 7.546 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.539 12.546 7.916 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.328 10.405 5.980 1.00 1.00 H new ATOM 0 HB3 HIS A 47 0.741 12.100 5.819 1.00 1.00 H new ATOM 0 HD2 HIS A 47 3.187 10.525 5.969 1.00 1.00 H new ATOM 0 HE1 HIS A 47 3.442 10.992 10.162 1.00 1.00 H new ATOM 0 HE2 HIS A 47 4.731 10.369 8.000 1.00 1.00 H new ATOM 288 N PRO A 48 -2.312 13.424 6.507 1.00 1.00 N ATOM 289 CA PRO A 48 -3.342 14.068 5.720 1.00 1.00 C ATOM 290 C PRO A 48 -2.720 14.700 4.483 1.00 1.00 C ATOM 291 O PRO A 48 -3.384 15.500 3.827 1.00 1.00 O ATOM 292 CB PRO A 48 -3.930 15.134 6.643 1.00 1.00 C ATOM 293 CG PRO A 48 -2.648 15.574 7.418 1.00 1.00 C ATOM 294 CD PRO A 48 -1.794 14.313 7.524 1.00 1.00 C ATOM 0 HA PRO A 48 -4.106 13.374 5.372 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.384 15.957 6.091 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.698 14.733 7.305 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.119 16.365 6.887 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.898 15.965 8.404 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.740 14.535 7.355 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.871 13.866 8.515 1.00 1.00 H new ATOM 302 N GLU A 49 -1.479 14.338 4.192 1.00 1.00 N ATOM 303 CA GLU A 49 -0.793 14.884 3.033 1.00 1.00 C ATOM 304 C GLU A 49 -0.154 13.759 2.217 1.00 1.00 C ATOM 305 O GLU A 49 0.544 14.017 1.237 1.00 1.00 O ATOM 306 CB GLU A 49 0.252 15.919 3.452 1.00 1.00 C ATOM 307 CG GLU A 49 1.304 15.295 4.373 1.00 1.00 C ATOM 308 CD GLU A 49 2.626 16.060 4.292 1.00 1.00 C ATOM 309 OE1 GLU A 49 2.878 16.760 3.300 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.406 15.909 5.309 1.00 1.00 O ATOM 0 H GLU A 49 -0.931 13.674 4.738 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.526 15.391 2.406 1.00 1.00 H new ATOM 0 HB2 GLU A 49 0.737 16.330 2.567 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -0.237 16.749 3.962 1.00 1.00 H new ATOM 0 HG2 GLU A 49 0.940 15.298 5.401 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.465 14.254 4.094 1.00 1.00 H new ATOM 318 N LYS A 50 -0.415 12.534 2.650 1.00 1.00 N ATOM 319 CA LYS A 50 0.126 11.369 1.971 1.00 1.00 C ATOM 320 C LYS A 50 -1.002 10.372 1.700 1.00 1.00 C ATOM 321 O LYS A 50 -1.297 9.520 2.537 1.00 1.00 O ATOM 322 CB LYS A 50 1.291 10.778 2.768 1.00 1.00 C ATOM 323 CG LYS A 50 2.338 11.847 3.085 1.00 1.00 C ATOM 324 CD LYS A 50 3.644 11.575 2.337 1.00 1.00 C ATOM 325 CE LYS A 50 4.664 12.687 2.593 1.00 1.00 C ATOM 326 NZ LYS A 50 4.279 13.920 1.870 1.00 1.00 N ATOM 0 H LYS A 50 -0.994 12.323 3.463 1.00 1.00 H new ATOM 0 HA LYS A 50 0.542 11.651 1.004 1.00 1.00 H new ATOM 0 HB2 LYS A 50 0.918 10.343 3.695 1.00 1.00 H new ATOM 0 HB3 LYS A 50 1.752 9.970 2.200 1.00 1.00 H new ATOM 0 HG2 LYS A 50 1.955 12.829 2.809 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.527 11.869 4.158 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.057 10.618 2.655 1.00 1.00 H new ATOM 0 HD3 LYS A 50 3.446 11.497 1.268 1.00 1.00 H new ATOM 0 HE2 LYS A 50 4.729 12.890 3.662 1.00 1.00 H new ATOM 0 HE3 LYS A 50 5.653 12.363 2.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 5.025 14.172 1.191 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 3.387 13.759 1.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 4.154 14.697 2.550 1.00 1.00 H new ATOM 339 N THR A 51 -1.603 10.511 0.527 1.00 1.00 N ATOM 340 CA THR A 51 -2.692 9.634 0.135 1.00 1.00 C ATOM 341 C THR A 51 -2.198 8.580 -0.857 1.00 1.00 C ATOM 342 O THR A 51 -0.993 8.381 -1.009 1.00 1.00 O ATOM 343 CB THR A 51 -3.825 10.503 -0.415 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.341 10.942 -1.681 1.00 1.00 O ATOM 345 CG2 THR A 51 -4.011 11.795 0.382 1.00 1.00 C ATOM 0 H THR A 51 -1.356 11.219 -0.165 1.00 1.00 H new ATOM 0 HA THR A 51 -3.077 9.076 0.989 1.00 1.00 H new ATOM 0 HB THR A 51 -4.755 9.935 -0.407 1.00 1.00 H new ATOM 0 HG1 THR A 51 -4.014 11.511 -2.109 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.827 12.375 -0.050 1.00 1.00 H new ATOM 0 HG22 THR A 51 -4.247 11.553 1.418 1.00 1.00 H new ATOM 0 HG23 THR A 51 -3.092 12.380 0.346 1.00 1.00 H new ATOM 353 N LEU A 52 -3.153 7.932 -1.508 1.00 1.00 N ATOM 354 CA LEU A 52 -2.829 6.903 -2.482 1.00 1.00 C ATOM 355 C LEU A 52 -2.953 7.485 -3.892 1.00 1.00 C ATOM 356 O LEU A 52 -3.160 6.748 -4.855 1.00 1.00 O ATOM 357 CB LEU A 52 -3.689 5.659 -2.253 1.00 1.00 C ATOM 358 CG LEU A 52 -3.555 4.994 -0.881 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.493 3.791 -0.760 1.00 1.00 C ATOM 360 CD2 LEU A 52 -2.100 4.616 -0.595 1.00 1.00 C ATOM 0 H LEU A 52 -4.151 8.099 -1.380 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.797 6.575 -2.361 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.734 5.931 -2.402 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.439 4.923 -3.017 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.857 5.715 -0.121 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -4.378 3.337 0.224 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.524 4.119 -0.890 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -4.246 3.058 -1.528 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -2.032 4.145 0.386 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.748 3.920 -1.357 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.481 5.513 -0.610 1.00 1.00 H new ATOM 372 N ALA A 53 -2.820 8.801 -3.968 1.00 1.00 N ATOM 373 CA ALA A 53 -2.914 9.490 -5.244 1.00 1.00 C ATOM 374 C ALA A 53 -1.548 9.469 -5.932 1.00 1.00 C ATOM 375 O ALA A 53 -0.530 9.763 -5.308 1.00 1.00 O ATOM 376 CB ALA A 53 -3.432 10.912 -5.019 1.00 1.00 C ATOM 0 H ALA A 53 -2.648 9.408 -3.167 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.622 8.985 -5.902 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.503 11.429 -5.976 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.417 10.871 -4.555 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.745 11.450 -4.366 1.00 1.00 H new ATOM 382 N ARG A 54 -1.570 9.117 -7.209 1.00 1.00 N ATOM 383 CA ARG A 54 -0.345 9.054 -7.989 1.00 1.00 C ATOM 384 C ARG A 54 0.427 10.369 -7.872 1.00 1.00 C ATOM 385 O ARG A 54 1.643 10.365 -7.691 1.00 1.00 O ATOM 386 CB ARG A 54 -0.645 8.775 -9.463 1.00 1.00 C ATOM 387 CG ARG A 54 0.644 8.511 -10.244 1.00 1.00 C ATOM 388 CD ARG A 54 0.535 9.038 -11.677 1.00 1.00 C ATOM 389 NE ARG A 54 -0.047 8.000 -12.555 1.00 1.00 N ATOM 390 CZ ARG A 54 0.676 7.056 -13.193 1.00 1.00 C ATOM 391 NH1 ARG A 54 0.052 6.176 -13.954 1.00 1.00 N ATOM 392 NH2 ARG A 54 2.019 7.012 -13.056 1.00 1.00 N ATOM 0 H ARG A 54 -2.416 8.872 -7.723 1.00 1.00 H new ATOM 0 HA ARG A 54 0.259 8.238 -7.592 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.308 7.914 -9.546 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.171 9.625 -9.898 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.483 8.990 -9.740 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.850 7.441 -10.261 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -0.086 9.933 -11.698 1.00 1.00 H new ATOM 0 HD3 ARG A 54 1.521 9.325 -12.044 1.00 1.00 H new ATOM 0 HE ARG A 54 -1.058 7.997 -12.687 1.00 1.00 H new ATOM 0 HH11 ARG A 54 -0.962 6.216 -14.053 1.00 1.00 H new ATOM 0 HH12 ARG A 54 0.584 5.456 -14.443 1.00 1.00 H new ATOM 0 HH21 ARG A 54 2.494 7.696 -12.467 1.00 1.00 H new ATOM 0 HH22 ARG A 54 2.558 6.295 -13.542 1.00 1.00 H new ATOM 402 N ALA A 55 -0.312 11.464 -7.982 1.00 1.00 N ATOM 403 CA ALA A 55 0.288 12.784 -7.891 1.00 1.00 C ATOM 404 C ALA A 55 1.320 12.794 -6.761 1.00 1.00 C ATOM 405 O ALA A 55 2.405 13.353 -6.911 1.00 1.00 O ATOM 406 CB ALA A 55 -0.809 13.831 -7.687 1.00 1.00 C ATOM 0 H ALA A 55 -1.321 11.464 -8.133 1.00 1.00 H new ATOM 0 HA ALA A 55 0.809 13.033 -8.816 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.359 14.821 -7.619 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.499 13.804 -8.530 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.352 13.615 -6.767 1.00 1.00 H new ATOM 412 N ARG A 56 0.946 12.168 -5.655 1.00 1.00 N ATOM 413 CA ARG A 56 1.825 12.097 -4.501 1.00 1.00 C ATOM 414 C ARG A 56 2.777 10.907 -4.630 1.00 1.00 C ATOM 415 O ARG A 56 3.983 11.046 -4.429 1.00 1.00 O ATOM 416 CB ARG A 56 1.023 11.961 -3.205 1.00 1.00 C ATOM 417 CG ARG A 56 0.681 13.335 -2.625 1.00 1.00 C ATOM 418 CD ARG A 56 -0.636 13.860 -3.199 1.00 1.00 C ATOM 419 NE ARG A 56 -1.640 13.996 -2.121 1.00 1.00 N ATOM 420 CZ ARG A 56 -1.490 14.795 -1.043 1.00 1.00 C ATOM 421 NH1 ARG A 56 -2.452 14.839 -0.140 1.00 1.00 N ATOM 422 NH2 ARG A 56 -0.373 15.537 -0.891 1.00 1.00 N ATOM 0 H ARG A 56 0.045 11.705 -5.534 1.00 1.00 H new ATOM 0 HA ARG A 56 2.399 13.023 -4.465 1.00 1.00 H new ATOM 0 HB2 ARG A 56 0.105 11.405 -3.398 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.596 11.387 -2.477 1.00 1.00 H new ATOM 0 HG2 ARG A 56 0.607 13.267 -1.540 1.00 1.00 H new ATOM 0 HG3 ARG A 56 1.484 14.038 -2.847 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -0.474 14.825 -3.680 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -1.005 13.179 -3.967 1.00 1.00 H new ATOM 0 HE ARG A 56 -2.499 13.452 -2.197 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -3.293 14.275 -0.263 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.355 15.437 0.680 1.00 1.00 H new ATOM 0 HH21 ARG A 56 0.366 15.497 -1.593 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -0.267 16.138 -0.074 1.00 1.00 H new ATOM 432 N ARG A 57 2.200 9.762 -4.966 1.00 1.00 N ATOM 433 CA ARG A 57 2.982 8.548 -5.125 1.00 1.00 C ATOM 434 C ARG A 57 4.105 8.769 -6.140 1.00 1.00 C ATOM 435 O ARG A 57 5.078 8.017 -6.170 1.00 1.00 O ATOM 436 CB ARG A 57 2.105 7.385 -5.591 1.00 1.00 C ATOM 437 CG ARG A 57 1.972 6.325 -4.495 1.00 1.00 C ATOM 438 CD ARG A 57 0.560 6.321 -3.905 1.00 1.00 C ATOM 439 NE ARG A 57 -0.418 5.906 -4.936 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.510 4.654 -5.432 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.421 4.394 -6.351 1.00 1.00 N ATOM 442 NH2 ARG A 57 0.319 3.681 -4.995 1.00 1.00 N ATOM 0 H ARG A 57 1.200 9.650 -5.132 1.00 1.00 H new ATOM 0 HA ARG A 57 3.409 8.300 -4.153 1.00 1.00 H new ATOM 0 HB2 ARG A 57 1.117 7.756 -5.864 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.536 6.936 -6.486 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.201 5.342 -4.905 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.699 6.519 -3.706 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.514 5.641 -3.054 1.00 1.00 H new ATOM 0 HD3 ARG A 57 0.309 7.315 -3.533 1.00 1.00 H new ATOM 0 HE ARG A 57 -1.063 6.610 -5.294 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -2.043 5.134 -6.676 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -1.503 3.453 -6.736 1.00 1.00 H new ATOM 0 HH21 ARG A 57 1.021 3.890 -4.285 1.00 1.00 H new ATOM 0 HH22 ARG A 57 0.243 2.737 -5.375 1.00 1.00 H new ATOM 452 N GLU A 58 3.934 9.806 -6.948 1.00 1.00 N ATOM 453 CA GLU A 58 4.921 10.135 -7.962 1.00 1.00 C ATOM 454 C GLU A 58 6.124 10.832 -7.324 1.00 1.00 C ATOM 455 O GLU A 58 7.268 10.560 -7.687 1.00 1.00 O ATOM 456 CB GLU A 58 4.307 11.001 -9.064 1.00 1.00 C ATOM 457 CG GLU A 58 4.564 12.486 -8.802 1.00 1.00 C ATOM 458 CD GLU A 58 6.006 12.862 -9.146 1.00 1.00 C ATOM 459 OE1 GLU A 58 6.676 12.133 -9.893 1.00 1.00 O ATOM 460 OE2 GLU A 58 6.428 13.956 -8.608 1.00 1.00 O ATOM 0 H GLU A 58 3.127 10.429 -6.921 1.00 1.00 H new ATOM 0 HA GLU A 58 5.264 9.208 -8.422 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.728 10.720 -10.029 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.234 10.818 -9.119 1.00 1.00 H new ATOM 0 HG2 GLU A 58 3.876 13.088 -9.396 1.00 1.00 H new ATOM 0 HG3 GLU A 58 4.365 12.714 -7.755 1.00 1.00 H new ATOM 468 N ALA A 59 5.826 11.718 -6.385 1.00 1.00 N ATOM 469 CA ALA A 59 6.870 12.455 -5.694 1.00 1.00 C ATOM 470 C ALA A 59 7.844 11.468 -5.048 1.00 1.00 C ATOM 471 O ALA A 59 9.049 11.536 -5.284 1.00 1.00 O ATOM 472 CB ALA A 59 6.235 13.401 -4.672 1.00 1.00 C ATOM 0 H ALA A 59 4.877 11.942 -6.087 1.00 1.00 H new ATOM 0 HA ALA A 59 7.438 13.066 -6.396 1.00 1.00 H new ATOM 0 HB1 ALA A 59 7.018 13.954 -4.153 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.575 14.101 -5.185 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.659 12.823 -3.949 1.00 1.00 H new ATOM 478 N ASN A 60 7.286 10.573 -4.247 1.00 1.00 N ATOM 479 CA ASN A 60 8.090 9.573 -3.566 1.00 1.00 C ATOM 480 C ASN A 60 8.526 8.505 -4.570 1.00 1.00 C ATOM 481 O ASN A 60 9.614 7.943 -4.452 1.00 1.00 O ATOM 482 CB ASN A 60 7.291 8.884 -2.458 1.00 1.00 C ATOM 483 CG ASN A 60 6.512 9.905 -1.627 1.00 1.00 C ATOM 484 OD1 ASN A 60 7.104 11.092 -1.536 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 5.445 9.633 -1.102 1.00 1.00 N flip ATOM 0 H ASN A 60 6.286 10.519 -4.054 1.00 1.00 H new ATOM 0 HA ASN A 60 8.953 10.075 -3.128 1.00 1.00 H new ATOM 0 HB2 ASN A 60 6.600 8.164 -2.897 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.967 8.324 -1.812 1.00 1.00 H new ATOM 0 HD21 ASN A 60 5.046 8.701 -1.212 1.00 1.00 H new ATOM 0 HD22 ASN A 60 4.952 10.338 -0.553 1.00 1.00 H new ATOM 492 N GLY A 61 7.654 8.255 -5.536 1.00 1.00 N ATOM 493 CA GLY A 61 7.934 7.264 -6.560 1.00 1.00 C ATOM 494 C GLY A 61 7.363 5.899 -6.173 1.00 1.00 C ATOM 495 O GLY A 61 8.106 4.997 -5.790 1.00 1.00 O ATOM 0 H GLY A 61 6.752 8.722 -5.631 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.505 7.586 -7.509 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.011 7.183 -6.708 1.00 1.00 H new ATOM 499 N ILE A 62 6.047 5.790 -6.287 1.00 1.00 N ATOM 500 CA ILE A 62 5.367 4.549 -5.954 1.00 1.00 C ATOM 501 C ILE A 62 4.224 4.318 -6.944 1.00 1.00 C ATOM 502 O ILE A 62 3.071 4.167 -6.542 1.00 1.00 O ATOM 503 CB ILE A 62 4.921 4.559 -4.490 1.00 1.00 C ATOM 504 CG1 ILE A 62 6.075 4.959 -3.569 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.311 3.214 -4.094 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.825 4.479 -2.138 1.00 1.00 C ATOM 0 H ILE A 62 5.434 6.540 -6.605 1.00 1.00 H new ATOM 0 HA ILE A 62 6.048 3.703 -6.050 1.00 1.00 H new ATOM 0 HB ILE A 62 4.141 5.312 -4.375 1.00 1.00 H new ATOM 0 HG12 ILE A 62 7.007 4.534 -3.942 1.00 1.00 H new ATOM 0 HG13 ILE A 62 6.193 6.043 -3.578 1.00 1.00 H new ATOM 0 HG21 ILE A 62 4.002 3.248 -3.049 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.444 3.009 -4.722 1.00 1.00 H new ATOM 0 HG23 ILE A 62 5.051 2.425 -4.228 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.660 4.776 -1.503 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.905 4.925 -1.760 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.731 3.393 -2.130 1.00 1.00 H new ATOM 518 N ARG A 63 4.583 4.296 -8.219 1.00 1.00 N ATOM 519 CA ARG A 63 3.601 4.086 -9.269 1.00 1.00 C ATOM 520 C ARG A 63 3.845 2.744 -9.962 1.00 1.00 C ATOM 521 O ARG A 63 4.011 2.691 -11.180 1.00 1.00 O ATOM 522 CB ARG A 63 3.658 5.207 -10.309 1.00 1.00 C ATOM 523 CG ARG A 63 5.060 5.329 -10.908 1.00 1.00 C ATOM 524 CD ARG A 63 5.964 6.183 -10.017 1.00 1.00 C ATOM 525 NE ARG A 63 7.180 5.422 -9.652 1.00 1.00 N ATOM 526 CZ ARG A 63 8.131 5.047 -10.533 1.00 1.00 C ATOM 527 NH1 ARG A 63 9.177 4.370 -10.097 1.00 1.00 N ATOM 528 NH2 ARG A 63 8.015 5.360 -11.842 1.00 1.00 N ATOM 0 H ARG A 63 5.540 4.420 -8.549 1.00 1.00 H new ATOM 0 HA ARG A 63 2.614 4.086 -8.806 1.00 1.00 H new ATOM 0 HB2 ARG A 63 2.936 5.010 -11.101 1.00 1.00 H new ATOM 0 HB3 ARG A 63 3.373 6.152 -9.846 1.00 1.00 H new ATOM 0 HG2 ARG A 63 5.495 4.337 -11.029 1.00 1.00 H new ATOM 0 HG3 ARG A 63 4.998 5.773 -11.901 1.00 1.00 H new ATOM 0 HD2 ARG A 63 6.241 7.099 -10.538 1.00 1.00 H new ATOM 0 HD3 ARG A 63 5.426 6.479 -9.116 1.00 1.00 H new ATOM 0 HE ARG A 63 7.307 5.165 -8.673 1.00 1.00 H new ATOM 0 HH11 ARG A 63 9.258 4.138 -9.107 1.00 1.00 H new ATOM 0 HH12 ARG A 63 9.905 4.079 -10.750 1.00 1.00 H new ATOM 0 HH21 ARG A 63 7.204 5.884 -12.171 1.00 1.00 H new ATOM 0 HH22 ARG A 63 8.738 5.073 -12.501 1.00 1.00 H new ATOM 538 N THR A 64 3.858 1.692 -9.157 1.00 1.00 N ATOM 539 CA THR A 64 4.078 0.353 -9.677 1.00 1.00 C ATOM 540 C THR A 64 3.468 -0.691 -8.740 1.00 1.00 C ATOM 541 O THR A 64 3.382 -0.471 -7.533 1.00 1.00 O ATOM 542 CB THR A 64 5.582 0.172 -9.893 1.00 1.00 C ATOM 543 OG1 THR A 64 6.150 0.426 -8.611 1.00 1.00 O ATOM 544 CG2 THR A 64 6.181 1.259 -10.788 1.00 1.00 C ATOM 0 H THR A 64 3.720 1.740 -8.148 1.00 1.00 H new ATOM 0 HA THR A 64 3.578 0.214 -10.635 1.00 1.00 H new ATOM 0 HB THR A 64 5.769 -0.806 -10.336 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.799 -0.276 -8.396 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.250 1.083 -10.908 1.00 1.00 H new ATOM 0 HG22 THR A 64 5.697 1.234 -11.764 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.023 2.235 -10.330 1.00 1.00 H new ATOM 552 N VAL A 65 3.061 -1.804 -9.332 1.00 1.00 N ATOM 553 CA VAL A 65 2.462 -2.883 -8.565 1.00 1.00 C ATOM 554 C VAL A 65 3.495 -3.442 -7.584 1.00 1.00 C ATOM 555 O VAL A 65 3.273 -3.440 -6.375 1.00 1.00 O ATOM 556 CB VAL A 65 1.898 -3.947 -9.509 1.00 1.00 C ATOM 557 CG1 VAL A 65 1.575 -5.236 -8.753 1.00 1.00 C ATOM 558 CG2 VAL A 65 0.667 -3.423 -10.252 1.00 1.00 C ATOM 0 H VAL A 65 3.134 -1.982 -10.334 1.00 1.00 H new ATOM 0 HA VAL A 65 1.623 -2.512 -7.977 1.00 1.00 H new ATOM 0 HB VAL A 65 2.664 -4.177 -10.250 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.176 -5.975 -9.448 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.483 -5.625 -8.292 1.00 1.00 H new ATOM 0 HG13 VAL A 65 0.836 -5.029 -7.980 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.286 -4.198 -10.916 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -0.104 -3.151 -9.532 1.00 1.00 H new ATOM 0 HG23 VAL A 65 0.942 -2.546 -10.838 1.00 1.00 H new ATOM 568 N ARG A 66 4.603 -3.906 -8.143 1.00 1.00 N ATOM 569 CA ARG A 66 5.671 -4.467 -7.333 1.00 1.00 C ATOM 570 C ARG A 66 5.935 -3.580 -6.115 1.00 1.00 C ATOM 571 O ARG A 66 5.750 -4.011 -4.978 1.00 1.00 O ATOM 572 CB ARG A 66 6.962 -4.605 -8.144 1.00 1.00 C ATOM 573 CG ARG A 66 6.766 -5.551 -9.330 1.00 1.00 C ATOM 574 CD ARG A 66 7.886 -6.591 -9.394 1.00 1.00 C ATOM 575 NE ARG A 66 8.312 -6.791 -10.797 1.00 1.00 N ATOM 576 CZ ARG A 66 9.063 -5.911 -11.493 1.00 1.00 C ATOM 577 NH1 ARG A 66 9.386 -6.192 -12.741 1.00 1.00 N ATOM 578 NH2 ARG A 66 9.478 -4.761 -10.920 1.00 1.00 N ATOM 0 H ARG A 66 4.784 -3.905 -9.147 1.00 1.00 H new ATOM 0 HA ARG A 66 5.354 -5.457 -7.004 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.276 -3.625 -8.504 1.00 1.00 H new ATOM 0 HB3 ARG A 66 7.760 -4.980 -7.503 1.00 1.00 H new ATOM 0 HG2 ARG A 66 5.803 -6.054 -9.243 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.744 -4.978 -10.257 1.00 1.00 H new ATOM 0 HD2 ARG A 66 8.733 -6.263 -8.791 1.00 1.00 H new ATOM 0 HD3 ARG A 66 7.541 -7.535 -8.972 1.00 1.00 H new ATOM 0 HE ARG A 66 8.020 -7.647 -11.268 1.00 1.00 H new ATOM 0 HH11 ARG A 66 9.069 -7.063 -13.166 1.00 1.00 H new ATOM 0 HH12 ARG A 66 9.953 -5.538 -13.281 1.00 1.00 H new ATOM 0 HH21 ARG A 66 9.224 -4.552 -9.954 1.00 1.00 H new ATOM 0 HH22 ARG A 66 10.045 -4.101 -11.453 1.00 1.00 H new ATOM 588 N ASP A 67 6.362 -2.357 -6.394 1.00 1.00 N ATOM 589 CA ASP A 67 6.653 -1.406 -5.335 1.00 1.00 C ATOM 590 C ASP A 67 5.634 -1.578 -4.207 1.00 1.00 C ATOM 591 O ASP A 67 5.996 -1.563 -3.031 1.00 1.00 O ATOM 592 CB ASP A 67 6.555 0.033 -5.845 1.00 1.00 C ATOM 593 CG ASP A 67 7.784 0.535 -6.605 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.295 1.633 -6.338 1.00 1.00 O ATOM 595 OD2 ASP A 67 8.225 -0.263 -7.517 1.00 1.00 O ATOM 0 H ASP A 67 6.513 -2.003 -7.339 1.00 1.00 H new ATOM 0 HA ASP A 67 7.666 -1.595 -4.981 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.685 0.113 -6.497 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.378 0.692 -4.995 1.00 1.00 H new ATOM 601 N VAL A 68 4.380 -1.738 -4.604 1.00 1.00 N ATOM 602 CA VAL A 68 3.306 -1.913 -3.641 1.00 1.00 C ATOM 603 C VAL A 68 3.239 -3.383 -3.221 1.00 1.00 C ATOM 604 O VAL A 68 2.171 -3.993 -3.255 1.00 1.00 O ATOM 605 CB VAL A 68 1.990 -1.397 -4.226 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.853 -1.520 -3.209 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.135 0.045 -4.714 1.00 1.00 C ATOM 0 H VAL A 68 4.084 -1.750 -5.580 1.00 1.00 H new ATOM 0 HA VAL A 68 3.498 -1.327 -2.742 1.00 1.00 H new ATOM 0 HB VAL A 68 1.739 -2.018 -5.086 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -0.071 -1.146 -3.650 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.725 -2.566 -2.931 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.094 -0.935 -2.321 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.185 0.387 -5.125 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.421 0.685 -3.879 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.903 0.092 -5.486 1.00 1.00 H new ATOM 617 N ALA A 69 4.392 -3.909 -2.834 1.00 1.00 N ATOM 618 CA ALA A 69 4.477 -5.295 -2.408 1.00 1.00 C ATOM 619 C ALA A 69 5.790 -5.513 -1.653 1.00 1.00 C ATOM 620 O ALA A 69 5.812 -6.178 -0.619 1.00 1.00 O ATOM 621 CB ALA A 69 4.345 -6.213 -3.625 1.00 1.00 C ATOM 0 H ALA A 69 5.275 -3.400 -2.807 1.00 1.00 H new ATOM 0 HA ALA A 69 3.661 -5.537 -1.727 1.00 1.00 H new ATOM 0 HB1 ALA A 69 4.409 -7.253 -3.305 1.00 1.00 H new ATOM 0 HB2 ALA A 69 3.383 -6.040 -4.108 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.149 -6.000 -4.330 1.00 1.00 H new ATOM 627 N ALA A 70 6.852 -4.940 -2.201 1.00 1.00 N ATOM 628 CA ALA A 70 8.165 -5.063 -1.592 1.00 1.00 C ATOM 629 C ALA A 70 8.259 -4.114 -0.396 1.00 1.00 C ATOM 630 O ALA A 70 8.383 -4.525 0.756 1.00 1.00 O ATOM 631 CB ALA A 70 9.243 -4.786 -2.642 1.00 1.00 C ATOM 0 H ALA A 70 6.830 -4.390 -3.060 1.00 1.00 H new ATOM 0 HA ALA A 70 8.323 -6.076 -1.222 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.228 -4.878 -2.185 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.152 -5.505 -3.456 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.118 -3.777 -3.034 1.00 1.00 H new ATOM 637 N TYR A 71 8.196 -2.815 -0.700 1.00 1.00 N ATOM 638 CA TYR A 71 8.273 -1.788 0.320 1.00 1.00 C ATOM 639 C TYR A 71 7.419 -2.184 1.516 1.00 1.00 C ATOM 640 O TYR A 71 7.939 -2.230 2.629 1.00 1.00 O ATOM 641 CB TYR A 71 7.804 -0.459 -0.263 1.00 1.00 C ATOM 642 CG TYR A 71 8.932 0.503 -0.553 1.00 1.00 C ATOM 643 CD1 TYR A 71 9.972 0.124 -1.411 1.00 1.00 C ATOM 644 CD2 TYR A 71 8.937 1.774 0.035 1.00 1.00 C ATOM 645 CE1 TYR A 71 11.017 1.016 -1.680 1.00 1.00 C ATOM 646 CE2 TYR A 71 9.982 2.665 -0.235 1.00 1.00 C ATOM 647 CZ TYR A 71 11.022 2.287 -1.092 1.00 1.00 C ATOM 648 OH TYR A 71 12.040 3.155 -1.355 1.00 1.00 O ATOM 0 H TYR A 71 8.092 -2.458 -1.650 1.00 1.00 H new ATOM 0 HA TYR A 71 9.304 -1.679 0.656 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.254 -0.649 -1.184 1.00 1.00 H new ATOM 0 HB3 TYR A 71 7.108 0.009 0.433 1.00 1.00 H new ATOM 0 HD1 TYR A 71 9.968 -0.856 -1.865 1.00 1.00 H new ATOM 0 HD2 TYR A 71 8.135 2.066 0.696 1.00 1.00 H new ATOM 0 HE1 TYR A 71 11.819 0.724 -2.341 1.00 1.00 H new ATOM 0 HE2 TYR A 71 9.986 3.645 0.218 1.00 1.00 H new ATOM 0 HH TYR A 71 11.890 3.992 -0.869 1.00 1.00 H new ATOM 658 N ILE A 72 6.146 -2.458 1.271 1.00 1.00 N ATOM 659 CA ILE A 72 5.244 -2.846 2.343 1.00 1.00 C ATOM 660 C ILE A 72 5.974 -3.791 3.300 1.00 1.00 C ATOM 661 O ILE A 72 5.761 -3.740 4.510 1.00 1.00 O ATOM 662 CB ILE A 72 3.951 -3.429 1.770 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.242 -4.640 0.881 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.145 -2.357 1.033 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.120 -5.675 0.980 1.00 1.00 C ATOM 0 H ILE A 72 5.718 -2.419 0.346 1.00 1.00 H new ATOM 0 HA ILE A 72 4.943 -1.974 2.923 1.00 1.00 H new ATOM 0 HB ILE A 72 3.337 -3.779 2.600 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.354 -4.317 -0.154 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.188 -5.094 1.177 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.231 -2.798 0.636 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.890 -1.554 1.725 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.740 -1.954 0.213 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.352 -6.525 0.339 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.027 -6.014 2.012 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.180 -5.225 0.660 1.00 1.00 H new ATOM 677 N ARG A 73 6.819 -4.631 2.721 1.00 1.00 N ATOM 678 CA ARG A 73 7.581 -5.586 3.508 1.00 1.00 C ATOM 679 C ARG A 73 8.429 -4.857 4.552 1.00 1.00 C ATOM 680 O ARG A 73 8.252 -5.058 5.752 1.00 1.00 O ATOM 681 CB ARG A 73 8.495 -6.429 2.617 1.00 1.00 C ATOM 682 CG ARG A 73 9.012 -7.657 3.368 1.00 1.00 C ATOM 683 CD ARG A 73 8.879 -8.920 2.514 1.00 1.00 C ATOM 684 NE ARG A 73 9.926 -9.897 2.887 1.00 1.00 N ATOM 685 CZ ARG A 73 10.412 -10.841 2.054 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.347 -11.662 2.493 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.948 -10.944 0.790 1.00 1.00 N ATOM 0 H ARG A 73 6.993 -4.670 1.717 1.00 1.00 H new ATOM 0 HA ARG A 73 6.871 -6.245 4.008 1.00 1.00 H new ATOM 0 HB2 ARG A 73 7.951 -6.745 1.727 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.336 -5.825 2.278 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.056 -7.507 3.641 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.454 -7.781 4.296 1.00 1.00 H new ATOM 0 HD2 ARG A 73 7.892 -9.361 2.654 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.967 -8.666 1.458 1.00 1.00 H new ATOM 0 HE ARG A 73 10.304 -9.854 3.833 1.00 1.00 H new ATOM 0 HH11 ARG A 73 11.692 -11.578 3.449 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.725 -12.381 1.876 1.00 1.00 H new ATOM 0 HH21 ARG A 73 9.225 -10.305 0.459 1.00 1.00 H new ATOM 0 HH22 ARG A 73 10.321 -11.660 0.167 1.00 1.00 H new ATOM 697 N ASN A 74 9.333 -4.025 4.056 1.00 1.00 N ATOM 698 CA ASN A 74 10.210 -3.265 4.931 1.00 1.00 C ATOM 699 C ASN A 74 10.128 -1.782 4.564 1.00 1.00 C ATOM 700 O ASN A 74 11.013 -1.217 3.925 1.00 1.00 O ATOM 701 CB ASN A 74 11.665 -3.710 4.775 1.00 1.00 C ATOM 702 CG ASN A 74 12.492 -3.324 6.003 1.00 1.00 C ATOM 703 OD1 ASN A 74 11.997 -2.756 6.963 1.00 1.00 O ATOM 704 ND2 ASN A 74 13.775 -3.663 5.920 1.00 1.00 N ATOM 0 H ASN A 74 9.477 -3.860 3.060 1.00 1.00 H new ATOM 0 HA ASN A 74 9.890 -3.434 5.959 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.705 -4.790 4.630 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.095 -3.253 3.884 1.00 1.00 H new ATOM 0 HD21 ASN A 74 14.410 -3.449 6.689 1.00 1.00 H new ATOM 0 HD22 ASN A 74 14.124 -4.137 5.087 1.00 1.00 H new ATOM 711 N PRO A 75 9.028 -1.155 4.990 1.00 1.00 N ATOM 712 CA PRO A 75 8.745 0.245 4.758 1.00 1.00 C ATOM 713 C PRO A 75 9.416 1.086 5.834 1.00 1.00 C ATOM 714 O PRO A 75 10.007 0.517 6.751 1.00 1.00 O ATOM 715 CB PRO A 75 7.225 0.356 4.844 1.00 1.00 C ATOM 716 CG PRO A 75 6.826 -0.774 5.746 1.00 1.00 C ATOM 717 CD PRO A 75 7.968 -1.788 5.744 1.00 1.00 C ATOM 0 HA PRO A 75 9.118 0.601 3.798 1.00 1.00 H new ATOM 0 HB2 PRO A 75 6.918 1.319 5.252 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.762 0.264 3.861 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.638 -0.410 6.756 1.00 1.00 H new ATOM 0 HG3 PRO A 75 5.903 -1.236 5.397 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.290 -2.022 6.759 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.662 -2.727 5.283 1.00 1.00 H new ATOM 725 N GLY A 76 9.316 2.401 5.708 1.00 1.00 N ATOM 726 CA GLY A 76 9.922 3.295 6.680 1.00 1.00 C ATOM 727 C GLY A 76 8.947 3.612 7.815 1.00 1.00 C ATOM 728 O GLY A 76 7.849 3.067 7.904 1.00 1.00 O ATOM 0 H GLY A 76 8.824 2.869 4.947 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.824 2.838 7.087 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.227 4.219 6.189 1.00 1.00 H new ATOM 732 N PRO A 77 9.379 4.520 8.694 1.00 1.00 N ATOM 733 CA PRO A 77 8.621 4.970 9.841 1.00 1.00 C ATOM 734 C PRO A 77 7.267 5.494 9.385 1.00 1.00 C ATOM 735 O PRO A 77 7.145 5.898 8.230 1.00 1.00 O ATOM 736 CB PRO A 77 9.463 6.089 10.452 1.00 1.00 C ATOM 737 CG PRO A 77 10.844 5.847 9.982 1.00 1.00 C ATOM 738 CD PRO A 77 10.664 5.181 8.620 1.00 1.00 C ATOM 0 HA PRO A 77 8.428 4.174 10.561 1.00 1.00 H new ATOM 0 HB2 PRO A 77 9.106 7.068 10.132 1.00 1.00 H new ATOM 0 HB3 PRO A 77 9.410 6.070 11.541 1.00 1.00 H new ATOM 0 HG2 PRO A 77 11.405 6.778 9.899 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.392 5.204 10.671 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.684 5.916 7.815 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.464 4.468 8.420 1.00 1.00 H new ATOM 746 N GLY A 78 6.291 5.478 10.281 1.00 1.00 N ATOM 747 CA GLY A 78 4.960 5.954 9.947 1.00 1.00 C ATOM 748 C GLY A 78 4.059 4.799 9.505 1.00 1.00 C ATOM 749 O GLY A 78 2.860 4.803 9.778 1.00 1.00 O ATOM 0 H GLY A 78 6.396 5.143 11.239 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.521 6.452 10.811 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.024 6.695 9.150 1.00 1.00 H new ATOM 753 N MET A 79 4.672 3.838 8.830 1.00 1.00 N ATOM 754 CA MET A 79 3.940 2.678 8.349 1.00 1.00 C ATOM 755 C MET A 79 4.547 1.383 8.890 1.00 1.00 C ATOM 756 O MET A 79 5.751 1.145 8.815 1.00 1.00 O ATOM 757 CB MET A 79 3.970 2.656 6.819 1.00 1.00 C ATOM 758 CG MET A 79 2.740 1.940 6.257 1.00 1.00 C ATOM 759 SD MET A 79 2.500 2.389 4.547 1.00 1.00 S ATOM 760 CE MET A 79 3.046 0.886 3.753 1.00 1.00 C ATOM 0 H MET A 79 5.667 3.838 8.605 1.00 1.00 H new ATOM 0 HA MET A 79 2.911 2.749 8.701 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.007 3.676 6.438 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.875 2.155 6.477 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.866 0.861 6.344 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.857 2.206 6.839 1.00 1.00 H new ATOM 0 HE1 MET A 79 2.962 0.994 2.672 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.085 0.691 4.018 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.425 0.053 4.084 1.00 1.00 H new ATOM 770 N PRO A 80 3.674 0.540 9.446 1.00 1.00 N ATOM 771 CA PRO A 80 4.028 -0.741 10.019 1.00 1.00 C ATOM 772 C PRO A 80 4.797 -1.564 8.995 1.00 1.00 C ATOM 773 O PRO A 80 5.540 -0.984 8.204 1.00 1.00 O ATOM 774 CB PRO A 80 2.693 -1.400 10.359 1.00 1.00 C ATOM 775 CG PRO A 80 1.729 -0.305 10.480 1.00 1.00 C ATOM 776 CD PRO A 80 2.252 0.788 9.551 1.00 1.00 C ATOM 0 HA PRO A 80 4.666 -0.651 10.898 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.393 -2.101 9.580 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.761 -1.966 11.288 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.729 -0.626 10.188 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.662 0.050 11.508 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.770 0.741 8.575 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.053 1.780 9.957 1.00 1.00 H new ATOM 784 N ALA A 81 4.612 -2.875 9.026 1.00 1.00 N ATOM 785 CA ALA A 81 5.300 -3.751 8.093 1.00 1.00 C ATOM 786 C ALA A 81 4.471 -5.020 7.885 1.00 1.00 C ATOM 787 O ALA A 81 3.538 -5.287 8.640 1.00 1.00 O ATOM 788 CB ALA A 81 6.705 -4.052 8.616 1.00 1.00 C ATOM 0 H ALA A 81 3.995 -3.352 9.683 1.00 1.00 H new ATOM 0 HA ALA A 81 5.410 -3.267 7.123 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.221 -4.709 7.916 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.263 -3.121 8.718 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.635 -4.541 9.588 1.00 1.00 H new ATOM 794 N PHE A 82 4.842 -5.769 6.857 1.00 1.00 N ATOM 795 CA PHE A 82 4.144 -7.003 6.540 1.00 1.00 C ATOM 796 C PHE A 82 5.101 -8.035 5.940 1.00 1.00 C ATOM 797 O PHE A 82 5.515 -7.907 4.789 1.00 1.00 O ATOM 798 CB PHE A 82 3.071 -6.658 5.505 1.00 1.00 C ATOM 799 CG PHE A 82 2.079 -5.590 5.970 1.00 1.00 C ATOM 800 CD1 PHE A 82 0.963 -5.952 6.657 1.00 1.00 C ATOM 801 CD2 PHE A 82 2.313 -4.279 5.696 1.00 1.00 C ATOM 802 CE1 PHE A 82 0.042 -4.961 7.089 1.00 1.00 C ATOM 803 CE2 PHE A 82 1.393 -3.287 6.128 1.00 1.00 C ATOM 804 CZ PHE A 82 0.276 -3.649 6.815 1.00 1.00 C ATOM 0 H PHE A 82 5.617 -5.545 6.233 1.00 1.00 H new ATOM 0 HA PHE A 82 3.713 -7.429 7.446 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.558 -6.314 4.592 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.521 -7.564 5.251 1.00 1.00 H new ATOM 0 HD1 PHE A 82 0.777 -6.993 6.874 1.00 1.00 H new ATOM 0 HD2 PHE A 82 3.199 -3.992 5.149 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -0.844 -5.249 7.635 1.00 1.00 H new ATOM 0 HE2 PHE A 82 1.580 -2.246 5.911 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.425 -2.895 7.143 1.00 1.00 H new ATOM 814 N GLY A 83 5.424 -9.035 6.747 1.00 1.00 N ATOM 815 CA GLY A 83 6.325 -10.088 6.310 1.00 1.00 C ATOM 816 C GLY A 83 5.544 -11.324 5.857 1.00 1.00 C ATOM 817 O GLY A 83 4.321 -11.279 5.735 1.00 1.00 O ATOM 0 H GLY A 83 5.078 -9.138 7.701 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.945 -9.724 5.490 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.998 -10.357 7.124 1.00 1.00 H new ATOM 821 N GLU A 84 6.283 -12.397 5.619 1.00 1.00 N ATOM 822 CA GLU A 84 5.676 -13.642 5.182 1.00 1.00 C ATOM 823 C GLU A 84 5.030 -14.363 6.367 1.00 1.00 C ATOM 824 O GLU A 84 4.493 -15.459 6.214 1.00 1.00 O ATOM 825 CB GLU A 84 6.703 -14.540 4.489 1.00 1.00 C ATOM 826 CG GLU A 84 6.013 -15.638 3.677 1.00 1.00 C ATOM 827 CD GLU A 84 6.807 -16.945 3.737 1.00 1.00 C ATOM 828 OE1 GLU A 84 6.606 -17.751 4.658 1.00 1.00 O ATOM 829 OE2 GLU A 84 7.658 -17.110 2.782 1.00 1.00 O ATOM 0 H GLU A 84 7.297 -12.430 5.721 1.00 1.00 H new ATOM 0 HA GLU A 84 4.898 -13.408 4.456 1.00 1.00 H new ATOM 0 HB2 GLU A 84 7.333 -13.939 3.833 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.358 -14.991 5.234 1.00 1.00 H new ATOM 0 HG2 GLU A 84 5.006 -15.802 4.062 1.00 1.00 H new ATOM 0 HG3 GLU A 84 5.910 -15.318 2.640 1.00 1.00 H new ATOM 837 N ALA A 85 5.102 -13.717 7.522 1.00 1.00 N ATOM 838 CA ALA A 85 4.531 -14.283 8.732 1.00 1.00 C ATOM 839 C ALA A 85 3.017 -14.420 8.561 1.00 1.00 C ATOM 840 O ALA A 85 2.428 -15.414 8.984 1.00 1.00 O ATOM 841 CB ALA A 85 4.905 -13.408 9.930 1.00 1.00 C ATOM 0 H ALA A 85 5.547 -12.807 7.645 1.00 1.00 H new ATOM 0 HA ALA A 85 4.933 -15.279 8.917 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.477 -13.832 10.838 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.990 -13.366 10.026 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.515 -12.401 9.781 1.00 1.00 H new ATOM 847 N MET A 86 2.430 -13.408 7.939 1.00 1.00 N ATOM 848 CA MET A 86 0.996 -13.403 7.706 1.00 1.00 C ATOM 849 C MET A 86 0.683 -13.362 6.209 1.00 1.00 C ATOM 850 O MET A 86 -0.072 -14.193 5.706 1.00 1.00 O ATOM 851 CB MET A 86 0.371 -12.186 8.392 1.00 1.00 C ATOM 852 CG MET A 86 -1.129 -12.392 8.613 1.00 1.00 C ATOM 853 SD MET A 86 -1.728 -11.242 9.841 1.00 1.00 S ATOM 854 CE MET A 86 -0.880 -11.861 11.285 1.00 1.00 C ATOM 0 H MET A 86 2.922 -12.586 7.589 1.00 1.00 H new ATOM 0 HA MET A 86 0.577 -14.320 8.120 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.863 -12.011 9.349 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.534 -11.297 7.783 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.666 -12.249 7.676 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.320 -13.415 8.937 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.512 -11.727 12.163 1.00 1.00 H new ATOM 0 HE2 MET A 86 -0.662 -12.921 11.153 1.00 1.00 H new ATOM 0 HE3 MET A 86 0.053 -11.314 11.422 1.00 1.00 H new ATOM 864 N ILE A 87 1.280 -12.387 5.539 1.00 1.00 N ATOM 865 CA ILE A 87 1.075 -12.227 4.110 1.00 1.00 C ATOM 866 C ILE A 87 2.398 -12.464 3.379 1.00 1.00 C ATOM 867 O ILE A 87 3.381 -11.748 3.561 1.00 1.00 O ATOM 868 CB ILE A 87 0.441 -10.868 3.808 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.810 -10.645 4.660 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.151 -10.717 2.314 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.766 -9.660 3.984 1.00 1.00 C ATOM 0 H ILE A 87 1.906 -11.700 5.960 1.00 1.00 H new ATOM 0 HA ILE A 87 0.369 -12.971 3.742 1.00 1.00 H new ATOM 0 HB ILE A 87 1.157 -10.091 4.077 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.317 -11.596 4.823 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.523 -10.264 5.640 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.299 -9.742 2.127 1.00 1.00 H new ATOM 0 HG22 ILE A 87 1.082 -10.800 1.753 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.536 -11.501 1.996 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.647 -9.520 4.611 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.263 -8.703 3.844 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.070 -10.055 3.015 1.00 1.00 H new ATOM 883 N PRO A 88 2.401 -13.500 2.537 1.00 1.00 N ATOM 884 CA PRO A 88 3.541 -13.903 1.743 1.00 1.00 C ATOM 885 C PRO A 88 3.751 -12.910 0.609 1.00 1.00 C ATOM 886 O PRO A 88 2.790 -12.455 -0.006 1.00 1.00 O ATOM 887 CB PRO A 88 3.172 -15.283 1.201 1.00 1.00 C ATOM 888 CG PRO A 88 1.700 -15.289 1.168 1.00 1.00 C ATOM 889 CD PRO A 88 1.263 -14.362 2.300 1.00 1.00 C ATOM 0 HA PRO A 88 4.468 -13.932 2.316 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.591 -15.444 0.208 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.557 -16.076 1.842 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.328 -14.937 0.206 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.308 -16.296 1.312 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.382 -13.785 2.020 1.00 1.00 H new ATOM 0 HD3 PRO A 88 1.002 -14.927 3.195 1.00 1.00 H new ATOM 897 N PRO A 89 5.014 -12.573 0.336 1.00 1.00 N ATOM 898 CA PRO A 89 5.403 -11.646 -0.705 1.00 1.00 C ATOM 899 C PRO A 89 4.559 -11.889 -1.948 1.00 1.00 C ATOM 900 O PRO A 89 4.076 -10.923 -2.537 1.00 1.00 O ATOM 901 CB PRO A 89 6.874 -11.953 -0.973 1.00 1.00 C ATOM 902 CG PRO A 89 7.372 -12.504 0.304 1.00 1.00 C ATOM 903 CD PRO A 89 6.168 -13.089 1.039 1.00 1.00 C ATOM 0 HA PRO A 89 5.257 -10.604 -0.421 1.00 1.00 H new ATOM 0 HB2 PRO A 89 6.989 -12.669 -1.787 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.422 -11.055 -1.259 1.00 1.00 H new ATOM 0 HG2 PRO A 89 8.125 -13.272 0.125 1.00 1.00 H new ATOM 0 HG3 PRO A 89 7.847 -11.725 0.901 1.00 1.00 H new ATOM 0 HD2 PRO A 89 6.186 -14.179 1.022 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.160 -12.787 2.086 1.00 1.00 H new ATOM 911 N ALA A 90 4.400 -13.151 -2.319 1.00 1.00 N ATOM 912 CA ALA A 90 3.614 -13.492 -3.493 1.00 1.00 C ATOM 913 C ALA A 90 2.200 -12.929 -3.336 1.00 1.00 C ATOM 914 O ALA A 90 1.636 -12.383 -4.283 1.00 1.00 O ATOM 915 CB ALA A 90 3.619 -15.010 -3.688 1.00 1.00 C ATOM 0 H ALA A 90 4.802 -13.950 -1.828 1.00 1.00 H new ATOM 0 HA ALA A 90 4.049 -13.047 -4.388 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.029 -15.266 -4.568 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.644 -15.356 -3.824 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.187 -15.491 -2.810 1.00 1.00 H new ATOM 921 N ASP A 91 1.667 -13.082 -2.132 1.00 1.00 N ATOM 922 CA ASP A 91 0.329 -12.596 -1.838 1.00 1.00 C ATOM 923 C ASP A 91 0.342 -11.066 -1.815 1.00 1.00 C ATOM 924 O ASP A 91 -0.713 -10.434 -1.778 1.00 1.00 O ATOM 925 CB ASP A 91 -0.147 -13.086 -0.470 1.00 1.00 C ATOM 926 CG ASP A 91 -0.653 -14.529 -0.440 1.00 1.00 C ATOM 927 OD1 ASP A 91 -1.353 -14.941 0.497 1.00 1.00 O ATOM 928 OD2 ASP A 91 -0.297 -15.253 -1.447 1.00 1.00 O ATOM 0 H ASP A 91 2.138 -13.536 -1.349 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.344 -12.972 -2.609 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.675 -12.990 0.240 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.945 -12.430 -0.123 1.00 1.00 H new ATOM 934 N ALA A 92 1.546 -10.515 -1.837 1.00 1.00 N ATOM 935 CA ALA A 92 1.709 -9.071 -1.819 1.00 1.00 C ATOM 936 C ALA A 92 1.593 -8.531 -3.245 1.00 1.00 C ATOM 937 O ALA A 92 1.009 -7.471 -3.466 1.00 1.00 O ATOM 938 CB ALA A 92 3.048 -8.717 -1.168 1.00 1.00 C ATOM 0 H ALA A 92 2.419 -11.042 -1.867 1.00 1.00 H new ATOM 0 HA ALA A 92 0.924 -8.603 -1.225 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.171 -7.634 -1.154 1.00 1.00 H new ATOM 0 HB2 ALA A 92 3.068 -9.097 -0.147 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.860 -9.167 -1.739 1.00 1.00 H new ATOM 944 N LEU A 93 2.158 -9.284 -4.177 1.00 1.00 N ATOM 945 CA LEU A 93 2.125 -8.894 -5.576 1.00 1.00 C ATOM 946 C LEU A 93 0.670 -8.799 -6.041 1.00 1.00 C ATOM 947 O LEU A 93 0.386 -8.220 -7.088 1.00 1.00 O ATOM 948 CB LEU A 93 2.978 -9.846 -6.418 1.00 1.00 C ATOM 949 CG LEU A 93 4.490 -9.755 -6.209 1.00 1.00 C ATOM 950 CD1 LEU A 93 5.201 -10.973 -6.801 1.00 1.00 C ATOM 951 CD2 LEU A 93 5.043 -8.442 -6.767 1.00 1.00 C ATOM 0 H LEU A 93 2.641 -10.163 -3.991 1.00 1.00 H new ATOM 0 HA LEU A 93 2.567 -7.906 -5.706 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.663 -10.868 -6.206 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.765 -9.658 -7.470 1.00 1.00 H new ATOM 0 HG LEU A 93 4.686 -9.758 -5.137 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.275 -10.882 -6.638 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.836 -11.879 -6.316 1.00 1.00 H new ATOM 0 HD13 LEU A 93 5.000 -11.028 -7.871 1.00 1.00 H new ATOM 0 HD21 LEU A 93 6.120 -8.403 -6.605 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.834 -8.384 -7.835 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.569 -7.602 -6.259 1.00 1.00 H new ATOM 963 N LYS A 94 -0.213 -9.375 -5.238 1.00 1.00 N ATOM 964 CA LYS A 94 -1.631 -9.361 -5.553 1.00 1.00 C ATOM 965 C LYS A 94 -2.264 -8.091 -4.981 1.00 1.00 C ATOM 966 O LYS A 94 -3.312 -7.650 -5.451 1.00 1.00 O ATOM 967 CB LYS A 94 -2.299 -10.651 -5.073 1.00 1.00 C ATOM 968 CG LYS A 94 -3.816 -10.584 -5.254 1.00 1.00 C ATOM 969 CD LYS A 94 -4.533 -10.653 -3.904 1.00 1.00 C ATOM 970 CE LYS A 94 -5.290 -11.974 -3.753 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.724 -11.789 -4.070 1.00 1.00 N ATOM 0 H LYS A 94 0.026 -9.854 -4.370 1.00 1.00 H new ATOM 0 HA LYS A 94 -1.781 -9.334 -6.632 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -1.900 -11.500 -5.629 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.062 -10.818 -4.022 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.084 -9.660 -5.765 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.147 -11.407 -5.888 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -3.807 -10.551 -3.097 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.229 -9.819 -3.814 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.859 -12.725 -4.415 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.182 -12.348 -2.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -7.281 -11.821 -3.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -6.861 -10.868 -4.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -7.039 -12.548 -4.708 1.00 1.00 H new ATOM 984 N ILE A 95 -1.602 -7.539 -3.975 1.00 1.00 N ATOM 985 CA ILE A 95 -2.087 -6.329 -3.334 1.00 1.00 C ATOM 986 C ILE A 95 -1.826 -5.132 -4.251 1.00 1.00 C ATOM 987 O ILE A 95 -2.667 -4.242 -4.371 1.00 1.00 O ATOM 988 CB ILE A 95 -1.477 -6.179 -1.939 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.607 -7.479 -1.142 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.087 -4.989 -1.198 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.034 -7.663 -0.623 1.00 1.00 C ATOM 0 H ILE A 95 -0.733 -7.908 -3.588 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.165 -6.385 -3.180 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.412 -5.975 -2.052 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.333 -8.325 -1.772 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -0.910 -7.467 -0.304 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -1.635 -4.906 -0.209 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.899 -4.075 -1.761 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.162 -5.137 -1.095 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.099 -8.594 -0.060 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.296 -6.827 0.026 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -3.726 -7.699 -1.465 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.657 -5.149 -4.874 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.275 -4.076 -5.777 1.00 1.00 C ATOM 1005 C GLY A 96 -1.366 -3.819 -6.818 1.00 1.00 C ATOM 1006 O GLY A 96 -1.433 -2.738 -7.399 1.00 1.00 O ATOM 0 H GLY A 96 0.038 -5.888 -4.772 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.090 -3.165 -5.207 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.658 -4.333 -6.279 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.195 -4.833 -7.021 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.280 -4.731 -7.982 1.00 1.00 C ATOM 1012 C GLU A 97 -4.392 -3.833 -7.434 1.00 1.00 C ATOM 1013 O GLU A 97 -4.804 -2.854 -8.051 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.823 -6.115 -8.345 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.688 -7.135 -8.464 1.00 1.00 C ATOM 1016 CD GLU A 97 -3.156 -8.393 -9.198 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.148 -8.427 -10.437 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -3.537 -9.360 -8.434 1.00 1.00 O ATOM 0 H GLU A 97 -2.137 -5.729 -6.536 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.890 -4.279 -8.894 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.533 -6.442 -7.585 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.368 -6.060 -9.287 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.848 -6.689 -8.998 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.329 -7.402 -7.470 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.874 -4.196 -6.243 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.930 -3.450 -5.589 1.00 1.00 C ATOM 1028 C TYR A 98 -5.656 -1.957 -5.702 1.00 1.00 C ATOM 1029 O TYR A 98 -6.607 -1.177 -5.715 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.018 -3.874 -4.125 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.074 -3.128 -3.344 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -6.697 -2.156 -2.409 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.429 -3.408 -3.555 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -7.676 -1.464 -1.686 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.408 -2.716 -2.832 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.031 -1.744 -1.897 1.00 1.00 C ATOM 1037 OH TYR A 98 -9.984 -1.070 -1.192 1.00 1.00 O ATOM 0 H TYR A 98 -4.543 -5.005 -5.718 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.883 -3.661 -6.074 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.228 -4.942 -4.076 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.049 -3.718 -3.651 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -5.651 -1.940 -2.246 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.719 -4.158 -4.276 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -7.386 -0.714 -0.965 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.454 -2.932 -2.995 1.00 1.00 H new ATOM 0 HH TYR A 98 -9.637 -0.847 -0.303 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.385 -1.592 -5.782 1.00 1.00 N ATOM 1048 CA VAL A 99 -4.014 -0.192 -5.894 1.00 1.00 C ATOM 1049 C VAL A 99 -3.772 0.151 -7.365 1.00 1.00 C ATOM 1050 O VAL A 99 -2.850 0.899 -7.688 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.804 0.101 -5.005 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.276 1.517 -5.247 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.143 -0.112 -3.528 1.00 1.00 C ATOM 0 H VAL A 99 -3.599 -2.242 -5.771 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.823 0.447 -5.540 1.00 1.00 H new ATOM 0 HB VAL A 99 -2.015 -0.602 -5.272 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.416 1.700 -4.603 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.976 1.620 -6.290 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -3.059 2.241 -5.021 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.265 0.103 -2.919 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.956 0.555 -3.241 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.449 -1.146 -3.370 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.616 -0.412 -8.217 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.505 -0.175 -9.647 1.00 1.00 C ATOM 1065 C VAL A 100 -5.893 -0.271 -10.284 1.00 1.00 C ATOM 1066 O VAL A 100 -6.013 -0.502 -11.486 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.496 -1.146 -10.262 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.488 -1.035 -11.788 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -2.096 -0.919 -9.688 1.00 1.00 C ATOM 0 H VAL A 100 -5.379 -1.031 -7.945 1.00 1.00 H new ATOM 0 HA VAL A 100 -4.127 0.829 -9.840 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.804 -2.159 -10.002 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.762 -1.736 -12.200 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.479 -1.270 -12.175 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -3.217 -0.020 -12.078 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.398 -1.622 -10.142 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.775 0.100 -9.903 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -2.116 -1.073 -8.609 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.906 -0.090 -9.450 1.00 1.00 N ATOM 1080 CA ALA A 101 -8.281 -0.154 -9.917 1.00 1.00 C ATOM 1081 C ALA A 101 -9.048 1.064 -9.399 1.00 1.00 C ATOM 1082 O ALA A 101 -10.258 0.998 -9.190 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.912 -1.474 -9.468 1.00 1.00 C ATOM 0 H ALA A 101 -6.803 0.101 -8.453 1.00 1.00 H new ATOM 0 HA ALA A 101 -8.318 -0.129 -11.006 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.943 -1.522 -9.818 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -8.348 -2.308 -9.886 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.895 -1.534 -8.380 1.00 1.00 H new ATOM 1089 N SER A 102 -8.312 2.149 -9.207 1.00 1.00 N ATOM 1090 CA SER A 102 -8.908 3.381 -8.718 1.00 1.00 C ATOM 1091 C SER A 102 -7.983 4.563 -9.014 1.00 1.00 C ATOM 1092 O SER A 102 -8.440 5.621 -9.445 1.00 1.00 O ATOM 1093 CB SER A 102 -9.196 3.296 -7.218 1.00 1.00 C ATOM 1094 OG SER A 102 -8.201 2.548 -6.525 1.00 1.00 O ATOM 0 H SER A 102 -7.308 2.201 -9.381 1.00 1.00 H new ATOM 0 HA SER A 102 -9.856 3.531 -9.235 1.00 1.00 H new ATOM 0 HB2 SER A 102 -9.249 4.302 -6.801 1.00 1.00 H new ATOM 0 HB3 SER A 102 -10.171 2.834 -7.062 1.00 1.00 H new ATOM 0 HG SER A 102 -7.386 3.086 -6.441 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.699 4.345 -8.771 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.706 5.379 -9.007 1.00 1.00 C ATOM 1102 C PHE A 103 -4.321 4.768 -9.231 1.00 1.00 C ATOM 1103 O PHE A 103 -3.440 4.817 -8.375 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.667 6.255 -7.753 1.00 1.00 C ATOM 1105 CG PHE A 103 -6.080 5.528 -6.472 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.565 4.300 -6.192 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.961 6.108 -5.614 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.948 3.625 -5.003 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.344 5.432 -4.425 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.829 4.205 -4.145 1.00 1.00 C ATOM 0 H PHE A 103 -6.323 3.467 -8.413 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.969 5.952 -9.896 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.657 6.646 -7.627 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.325 7.112 -7.900 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.865 3.839 -6.874 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.370 7.083 -5.837 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.539 2.650 -4.780 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.044 5.892 -3.743 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.120 3.691 -3.241 1.00 1.00 H new ATOM 1120 N PRO A 104 -4.147 4.184 -10.418 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.919 3.546 -10.842 1.00 1.00 C ATOM 1122 C PRO A 104 -1.756 4.513 -10.671 1.00 1.00 C ATOM 1123 O PRO A 104 -1.326 4.777 -9.550 1.00 1.00 O ATOM 1124 CB PRO A 104 -3.140 3.211 -12.316 1.00 1.00 C ATOM 1125 CG PRO A 104 -4.650 3.055 -12.428 1.00 1.00 C ATOM 1126 CD PRO A 104 -5.161 4.108 -11.448 1.00 1.00 C ATOM 0 HA PRO A 104 -2.681 2.655 -10.260 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -2.770 4.003 -12.967 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.621 2.296 -12.601 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -5.003 3.239 -13.443 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.976 2.052 -12.153 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -5.297 5.071 -11.939 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -6.127 3.823 -11.031 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.352 2.884 4.170 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.623 5.741 2.730 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.161 1.465 0.911 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.980 -0.066 5.392 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.172 4.385 7.177 1.00 1.00 C HETATM 1140 NA HEC A 201 0.846 3.456 2.217 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.270 4.722 1.851 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.297 4.845 0.413 1.00 1.00 C HETATM 1143 C3A HEC A 201 0.892 3.661 -0.095 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.611 2.794 1.025 1.00 1.00 C HETATM 1145 CMA HEC A 201 0.747 3.276 -1.538 1.00 1.00 C HETATM 1146 CAA HEC A 201 1.706 6.080 -0.336 1.00 1.00 C HETATM 1147 CBA HEC A 201 3.149 6.509 -0.084 1.00 1.00 C HETATM 1148 CGA HEC A 201 3.204 7.868 0.600 1.00 1.00 C HETATM 1149 O1A HEC A 201 4.130 8.053 1.419 1.00 1.00 O HETATM 1150 O2A HEC A 201 2.319 8.695 0.292 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.288 1.077 3.306 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.266 0.683 1.979 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.755 -0.669 1.850 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.072 -1.097 3.090 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.783 -0.013 4.000 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.870 -1.421 0.556 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.622 -2.434 3.495 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.827 -3.620 2.957 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.213 2.261 5.962 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.805 1.063 6.324 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.269 1.126 7.690 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.962 2.355 8.157 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.304 3.065 7.085 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.960 0.008 8.415 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.232 2.919 9.522 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.769 2.022 10.667 1.00 1.00 C HETATM 1167 ND HEC A 201 0.718 4.712 4.794 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.741 5.093 6.124 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.446 6.344 6.274 1.00 1.00 C HETATM 1170 C3D HEC A 201 1.850 6.723 5.043 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.398 5.710 4.118 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.666 7.055 7.578 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.622 7.952 4.661 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.135 7.792 4.763 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.549 7.381 6.169 1.00 1.00 C HETATM 1176 O1D HEC A 201 4.986 8.281 6.918 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.420 6.174 6.469 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.703 7.298 8.027 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.229 6.411 8.253 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.226 7.973 7.402 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.879 -0.253 7.890 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.304 -0.862 8.453 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.200 0.326 9.430 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.541 -0.887 -0.117 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.114 -1.506 0.096 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.267 -2.418 0.748 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.026 3.936 -2.020 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 1.712 3.367 -2.037 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.398 2.246 -1.606 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.474 7.043 4.047 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.622 8.730 4.497 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.283 1.063 10.608 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.307 1.863 10.592 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -1.000 2.499 11.619 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.822 -3.591 1.867 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.197 -3.569 3.326 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.287 -4.549 3.293 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 3.650 5.766 0.536 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 3.690 6.552 -1.030 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.364 8.227 3.638 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.310 8.778 5.301 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 1.570 5.907 -1.404 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 1.041 6.898 -0.059 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.089 4.888 8.140 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.288 -1.021 5.817 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.146 1.018 -0.083 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.107 6.624 2.314 1.00 1.00 H new HETATM 0 H2D HEC A 201 5.170 5.896 7.035 1.00 1.00 H new HETATM 0 H2A HEC A 201 2.716 9.588 0.221 1.00 1.00 H new