USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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: B 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -159:sc= 0 (180deg=-0.148) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 105:sc= -2.6! USER MOD Single : A 9 SER OG : rot -97:sc= -0.288! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -7.13! C(o=-7.1!,f=-15!) USER MOD Single : A 18 ASN : amide:sc= 0.0247 X(o=0.025,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -1.59! USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.67! C(o=-2.7!,f=-3.2!) USER MOD Single : B 4 GLN : amide:sc= -10! C(o=-10!,f=-10!) USER MOD Single : B 5 HIS : no HD1:sc= -0.541 X(o=-0.54,f=-0.79) USER MOD Single : B 9 SER OG : rot 180:sc=-0.00196 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.00979 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -61:sc= 0.58 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.647 7.389 2.131 1.00 0.00 N ATOM 2 CA GLY A 1 -7.244 5.977 1.710 1.00 0.00 C ATOM 3 C GLY A 1 -5.881 5.741 1.157 1.00 0.00 C ATOM 4 O GLY A 1 -5.126 6.663 0.924 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.443 7.338 2.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.840 7.858 2.589 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.933 7.933 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.361 5.330 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.963 5.640 0.963 1.00 0.00 H new ATOM 10 N ILE A 2 -5.525 4.504 0.937 1.00 0.00 N ATOM 11 CA ILE A 2 -4.174 4.205 0.386 1.00 0.00 C ATOM 12 C ILE A 2 -4.019 4.875 -0.980 1.00 0.00 C ATOM 13 O ILE A 2 -3.047 5.553 -1.240 1.00 0.00 O ATOM 14 CB ILE A 2 -4.007 2.694 0.233 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.673 2.393 -0.452 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.148 2.141 -0.618 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.603 0.904 -0.799 1.00 0.00 C ATOM 0 H ILE A 2 -6.112 3.689 1.115 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.413 4.587 1.067 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.024 2.226 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.573 2.993 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.846 2.664 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.030 1.063 -0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.100 2.354 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.129 2.610 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.653 0.688 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.684 0.314 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.422 0.648 -1.471 1.00 0.00 H new ATOM 29 N VAL A 3 -4.967 4.691 -1.855 1.00 0.00 N ATOM 30 CA VAL A 3 -4.862 5.319 -3.199 1.00 0.00 C ATOM 31 C VAL A 3 -4.700 6.830 -3.042 1.00 0.00 C ATOM 32 O VAL A 3 -3.842 7.440 -3.653 1.00 0.00 O ATOM 33 CB VAL A 3 -6.129 5.021 -4.004 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.134 5.864 -5.281 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.157 3.537 -4.373 1.00 0.00 C ATOM 0 H VAL A 3 -5.807 4.135 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.997 4.913 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.007 5.266 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.037 5.651 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.111 6.922 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.257 5.620 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.059 3.322 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.279 3.294 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.153 2.936 -3.464 1.00 0.00 H new ATOM 45 N GLU A 4 -5.514 7.441 -2.228 1.00 0.00 N ATOM 46 CA GLU A 4 -5.406 8.915 -2.031 1.00 0.00 C ATOM 47 C GLU A 4 -4.072 9.246 -1.363 1.00 0.00 C ATOM 48 O GLU A 4 -3.559 10.342 -1.488 1.00 0.00 O ATOM 49 CB GLU A 4 -6.556 9.393 -1.143 1.00 0.00 C ATOM 50 CG GLU A 4 -7.691 9.931 -2.017 1.00 0.00 C ATOM 51 CD GLU A 4 -8.059 11.346 -1.566 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.280 12.248 -1.821 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.115 11.501 -0.973 1.00 0.00 O ATOM 0 H GLU A 4 -6.250 6.984 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.459 9.416 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.918 8.571 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.206 10.171 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.385 9.940 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.560 9.278 -1.945 1.00 0.00 H new ATOM 60 N GLN A 5 -3.507 8.315 -0.644 1.00 0.00 N ATOM 61 CA GLN A 5 -2.208 8.584 0.038 1.00 0.00 C ATOM 62 C GLN A 5 -1.044 8.205 -0.880 1.00 0.00 C ATOM 63 O GLN A 5 -0.014 8.848 -0.886 1.00 0.00 O ATOM 64 CB GLN A 5 -2.130 7.758 1.324 1.00 0.00 C ATOM 65 CG GLN A 5 -1.536 8.613 2.446 1.00 0.00 C ATOM 66 CD GLN A 5 -2.388 8.468 3.706 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.983 7.833 4.658 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.564 9.034 3.753 1.00 0.00 N ATOM 0 H GLN A 5 -3.888 7.380 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.143 9.646 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.124 7.409 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.515 6.872 1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.511 8.303 2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.497 9.658 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.905 9.568 2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.141 8.942 4.589 1.00 0.00 H new ATOM 77 N CYS A 6 -1.190 7.164 -1.653 1.00 0.00 N ATOM 78 CA CYS A 6 -0.083 6.753 -2.559 1.00 0.00 C ATOM 79 C CYS A 6 -0.236 7.454 -3.911 1.00 0.00 C ATOM 80 O CYS A 6 0.734 7.745 -4.582 1.00 0.00 O ATOM 81 CB CYS A 6 -0.119 5.237 -2.755 1.00 0.00 C ATOM 82 SG CYS A 6 -0.552 4.435 -1.190 1.00 0.00 S ATOM 0 H CYS A 6 -2.027 6.582 -1.696 1.00 0.00 H new ATOM 0 HA CYS A 6 0.872 7.036 -2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.847 4.976 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.851 4.881 -3.102 1.00 0.00 H new ATOM 87 N CYS A 7 -1.444 7.730 -4.317 1.00 0.00 N ATOM 88 CA CYS A 7 -1.651 8.412 -5.625 1.00 0.00 C ATOM 89 C CYS A 7 -1.617 9.929 -5.423 1.00 0.00 C ATOM 90 O CYS A 7 -0.876 10.634 -6.080 1.00 0.00 O ATOM 91 CB CYS A 7 -3.001 7.991 -6.211 1.00 0.00 C ATOM 92 SG CYS A 7 -3.214 8.751 -7.839 1.00 0.00 S ATOM 0 H CYS A 7 -2.296 7.513 -3.800 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.857 8.128 -6.316 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.050 6.905 -6.295 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.809 8.296 -5.547 1.00 0.00 H new ATOM 97 N THR A 8 -2.401 10.443 -4.513 1.00 0.00 N ATOM 98 CA THR A 8 -2.391 11.913 -4.270 1.00 0.00 C ATOM 99 C THR A 8 -1.348 12.231 -3.198 1.00 0.00 C ATOM 100 O THR A 8 -1.542 13.087 -2.358 1.00 0.00 O ATOM 101 CB THR A 8 -3.772 12.368 -3.792 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.537 11.235 -3.409 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.488 13.111 -4.922 1.00 0.00 C ATOM 0 H THR A 8 -3.046 9.910 -3.930 1.00 0.00 H new ATOM 0 HA THR A 8 -2.144 12.436 -5.194 1.00 0.00 H new ATOM 0 HB THR A 8 -3.658 13.035 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.585 11.188 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.471 13.434 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.901 13.982 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.602 12.447 -5.779 1.00 0.00 H new ATOM 111 N SER A 9 -0.241 11.539 -3.222 1.00 0.00 N ATOM 112 CA SER A 9 0.824 11.780 -2.213 1.00 0.00 C ATOM 113 C SER A 9 1.819 10.620 -2.276 1.00 0.00 C ATOM 114 O SER A 9 1.781 9.810 -3.181 1.00 0.00 O ATOM 115 CB SER A 9 0.194 11.865 -0.815 1.00 0.00 C ATOM 116 OG SER A 9 0.738 10.853 0.023 1.00 0.00 O ATOM 0 H SER A 9 -0.029 10.811 -3.905 1.00 0.00 H new ATOM 0 HA SER A 9 1.340 12.718 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.381 12.848 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.887 11.748 -0.886 1.00 0.00 H new ATOM 0 HG SER A 9 0.137 10.079 0.034 1.00 0.00 H new ATOM 122 N ILE A 10 2.709 10.527 -1.330 1.00 0.00 N ATOM 123 CA ILE A 10 3.695 9.412 -1.355 1.00 0.00 C ATOM 124 C ILE A 10 3.289 8.345 -0.340 1.00 0.00 C ATOM 125 O ILE A 10 2.693 8.638 0.680 1.00 0.00 O ATOM 126 CB ILE A 10 5.078 9.955 -1.002 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.609 10.769 -2.184 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.025 8.792 -0.704 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.975 9.822 -3.324 1.00 0.00 C ATOM 0 H ILE A 10 2.797 11.171 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 10 3.720 8.969 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 10 5.012 10.592 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.856 11.483 -2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.483 11.346 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.011 9.181 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.638 8.214 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.101 8.151 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.354 10.398 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.743 9.126 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.090 9.265 -3.633 1.00 0.00 H new ATOM 141 N CYS A 11 3.605 7.109 -0.607 1.00 0.00 N ATOM 142 CA CYS A 11 3.237 6.028 0.348 1.00 0.00 C ATOM 143 C CYS A 11 4.495 5.290 0.805 1.00 0.00 C ATOM 144 O CYS A 11 5.592 5.583 0.367 1.00 0.00 O ATOM 145 CB CYS A 11 2.286 5.044 -0.337 1.00 0.00 C ATOM 146 SG CYS A 11 0.587 5.382 0.184 1.00 0.00 S ATOM 0 H CYS A 11 4.101 6.801 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 11 2.744 6.467 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.370 5.135 -1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.559 4.020 -0.081 1.00 0.00 H new ATOM 151 N SER A 12 4.350 4.339 1.684 1.00 0.00 N ATOM 152 CA SER A 12 5.538 3.585 2.171 1.00 0.00 C ATOM 153 C SER A 12 5.323 2.091 1.951 1.00 0.00 C ATOM 154 O SER A 12 4.248 1.568 2.162 1.00 0.00 O ATOM 155 CB SER A 12 5.740 3.864 3.661 1.00 0.00 C ATOM 156 OG SER A 12 7.118 4.118 3.908 1.00 0.00 O ATOM 0 H SER A 12 3.458 4.051 2.087 1.00 0.00 H new ATOM 0 HA SER A 12 6.423 3.904 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.140 4.721 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.404 3.012 4.251 1.00 0.00 H new ATOM 0 HG SER A 12 7.251 4.299 4.862 1.00 0.00 H new ATOM 162 N LEU A 13 6.341 1.401 1.521 1.00 0.00 N ATOM 163 CA LEU A 13 6.204 -0.059 1.274 1.00 0.00 C ATOM 164 C LEU A 13 5.710 -0.759 2.540 1.00 0.00 C ATOM 165 O LEU A 13 5.196 -1.860 2.491 1.00 0.00 O ATOM 166 CB LEU A 13 7.562 -0.638 0.871 1.00 0.00 C ATOM 167 CG LEU A 13 7.353 -1.935 0.091 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.325 -1.629 -1.406 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.501 -2.900 0.395 1.00 0.00 C ATOM 0 H LEU A 13 7.265 1.788 1.329 1.00 0.00 H new ATOM 0 HA LEU A 13 5.484 -0.219 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.109 0.081 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.166 -0.828 1.758 1.00 0.00 H new ATOM 0 HG LEU A 13 6.407 -2.391 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.176 -2.554 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.508 -0.940 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.271 -1.175 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.354 -3.826 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.446 -2.445 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.521 -3.117 1.463 1.00 0.00 H new ATOM 181 N TYR A 14 5.863 -0.135 3.675 1.00 0.00 N ATOM 182 CA TYR A 14 5.405 -0.776 4.940 1.00 0.00 C ATOM 183 C TYR A 14 3.877 -0.803 4.973 1.00 0.00 C ATOM 184 O TYR A 14 3.271 -1.848 5.110 1.00 0.00 O ATOM 185 CB TYR A 14 5.931 0.023 6.138 1.00 0.00 C ATOM 186 CG TYR A 14 6.107 -0.892 7.329 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.076 -1.904 7.296 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.305 -0.727 8.467 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.242 -2.753 8.400 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.470 -1.575 9.570 1.00 0.00 C ATOM 191 CZ TYR A 14 6.438 -2.588 9.537 1.00 0.00 C ATOM 192 OH TYR A 14 6.600 -3.423 10.623 1.00 0.00 O ATOM 0 H TYR A 14 6.284 0.788 3.782 1.00 0.00 H new ATOM 0 HA TYR A 14 5.786 -1.796 4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.882 0.491 5.885 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.236 0.826 6.384 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.695 -2.030 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.560 0.054 8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.988 -3.533 8.374 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.851 -1.448 10.446 1.00 0.00 H new ATOM 0 HH TYR A 14 5.965 -3.172 11.326 1.00 0.00 H new ATOM 202 N GLN A 15 3.246 0.327 4.827 1.00 0.00 N ATOM 203 CA GLN A 15 1.750 0.333 4.836 1.00 0.00 C ATOM 204 C GLN A 15 1.271 -0.287 3.527 1.00 0.00 C ATOM 205 O GLN A 15 0.146 -0.735 3.410 1.00 0.00 O ATOM 206 CB GLN A 15 1.177 1.768 4.959 1.00 0.00 C ATOM 207 CG GLN A 15 1.895 2.576 6.059 1.00 0.00 C ATOM 208 CD GLN A 15 3.146 3.239 5.478 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.167 3.617 4.324 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.197 3.396 6.236 1.00 0.00 N ATOM 0 H GLN A 15 3.690 1.237 4.703 1.00 0.00 H new ATOM 0 HA GLN A 15 1.402 -0.234 5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.278 2.283 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.111 1.717 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.224 3.334 6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.170 1.920 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.179 3.078 7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.036 3.836 5.859 1.00 0.00 H new ATOM 219 N LEU A 16 2.124 -0.327 2.540 1.00 0.00 N ATOM 220 CA LEU A 16 1.737 -0.922 1.244 1.00 0.00 C ATOM 221 C LEU A 16 1.724 -2.444 1.376 1.00 0.00 C ATOM 222 O LEU A 16 0.865 -3.113 0.834 1.00 0.00 O ATOM 223 CB LEU A 16 2.754 -0.506 0.185 1.00 0.00 C ATOM 224 CG LEU A 16 2.141 -0.683 -1.194 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.952 0.263 -1.354 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.191 -0.373 -2.265 1.00 0.00 C ATOM 0 H LEU A 16 3.078 0.032 2.583 1.00 0.00 H new ATOM 0 HA LEU A 16 0.745 -0.576 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.048 0.533 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.657 -1.109 0.275 1.00 0.00 H new ATOM 0 HG LEU A 16 1.800 -1.712 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.515 0.134 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.203 0.038 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.289 1.293 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.751 -0.500 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.535 0.655 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.036 -1.053 -2.154 1.00 0.00 H new ATOM 238 N GLU A 17 2.658 -3.001 2.100 1.00 0.00 N ATOM 239 CA GLU A 17 2.670 -4.478 2.264 1.00 0.00 C ATOM 240 C GLU A 17 1.622 -4.864 3.307 1.00 0.00 C ATOM 241 O GLU A 17 1.333 -6.025 3.515 1.00 0.00 O ATOM 242 CB GLU A 17 4.055 -4.939 2.724 1.00 0.00 C ATOM 243 CG GLU A 17 4.663 -5.865 1.668 1.00 0.00 C ATOM 244 CD GLU A 17 4.772 -7.281 2.236 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.739 -7.877 2.491 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.888 -7.745 2.405 1.00 0.00 O ATOM 0 H GLU A 17 3.406 -2.500 2.580 1.00 0.00 H new ATOM 0 HA GLU A 17 2.440 -4.958 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.703 -4.077 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.978 -5.460 3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.044 -5.868 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.648 -5.502 1.374 1.00 0.00 H new ATOM 253 N ASN A 18 1.040 -3.891 3.960 1.00 0.00 N ATOM 254 CA ASN A 18 0.001 -4.196 4.979 1.00 0.00 C ATOM 255 C ASN A 18 -1.306 -4.539 4.263 1.00 0.00 C ATOM 256 O ASN A 18 -2.246 -5.023 4.860 1.00 0.00 O ATOM 257 CB ASN A 18 -0.211 -2.971 5.874 1.00 0.00 C ATOM 258 CG ASN A 18 0.350 -3.255 7.269 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.233 -4.003 8.030 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.464 -2.687 7.639 1.00 0.00 N ATOM 0 H ASN A 18 1.242 -2.900 3.829 1.00 0.00 H new ATOM 0 HA ASN A 18 0.319 -5.038 5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.284 -2.101 5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.273 -2.734 5.939 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.846 -2.870 8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.953 -2.060 7.001 1.00 0.00 H new ATOM 267 N TYR A 19 -1.368 -4.294 2.980 1.00 0.00 N ATOM 268 CA TYR A 19 -2.608 -4.608 2.220 1.00 0.00 C ATOM 269 C TYR A 19 -2.558 -6.062 1.751 1.00 0.00 C ATOM 270 O TYR A 19 -3.527 -6.589 1.247 1.00 0.00 O ATOM 271 CB TYR A 19 -2.713 -3.684 1.007 1.00 0.00 C ATOM 272 CG TYR A 19 -3.368 -2.390 1.424 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.592 -1.346 1.948 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.754 -2.233 1.290 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.203 -0.149 2.341 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.364 -1.035 1.682 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.588 0.008 2.207 1.00 0.00 C ATOM 278 OH TYR A 19 -5.192 1.186 2.596 1.00 0.00 O ATOM 0 H TYR A 19 -0.612 -3.890 2.428 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.476 -4.460 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.722 -3.488 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.295 -4.163 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.523 -1.465 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.352 -3.036 0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.606 0.654 2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.432 -0.914 1.580 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.157 1.128 2.434 1.00 0.00 H new ATOM 288 N CYS A 20 -1.434 -6.708 1.912 1.00 0.00 N ATOM 289 CA CYS A 20 -1.321 -8.128 1.474 1.00 0.00 C ATOM 290 C CYS A 20 -2.542 -8.919 1.960 1.00 0.00 C ATOM 291 O CYS A 20 -2.547 -9.456 3.049 1.00 0.00 O ATOM 292 CB CYS A 20 -0.054 -8.744 2.069 1.00 0.00 C ATOM 293 SG CYS A 20 1.028 -9.315 0.733 1.00 0.00 S ATOM 0 H CYS A 20 -0.590 -6.313 2.328 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.274 -8.165 0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.466 -8.009 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.314 -9.578 2.721 1.00 0.00 H new ATOM 298 N ASN A 21 -3.574 -8.995 1.164 1.00 0.00 N ATOM 299 CA ASN A 21 -4.786 -9.754 1.581 1.00 0.00 C ATOM 300 C ASN A 21 -5.856 -9.642 0.494 1.00 0.00 C ATOM 301 O ASN A 21 -5.903 -10.516 -0.356 1.00 0.00 O ATOM 302 CB ASN A 21 -5.328 -9.176 2.890 1.00 0.00 C ATOM 303 CG ASN A 21 -6.457 -10.066 3.408 1.00 0.00 C ATOM 304 OD1 ASN A 21 -7.610 -9.686 3.379 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.171 -11.242 3.887 1.00 0.00 N ATOM 306 OXT ASN A 21 -6.613 -8.685 0.530 1.00 0.00 O ATOM 0 H ASN A 21 -3.629 -8.563 0.242 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.524 -10.802 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.531 -9.113 3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.694 -8.162 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.915 -11.845 4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.202 -11.561 3.911 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.872 2.327 -0.006 1.00 0.00 N ATOM 315 CA PHE B 1 12.799 2.437 -1.037 1.00 0.00 C ATOM 316 C PHE B 1 12.635 3.902 -1.448 1.00 0.00 C ATOM 317 O PHE B 1 12.586 4.790 -0.618 1.00 0.00 O ATOM 318 CB PHE B 1 11.480 1.918 -0.457 1.00 0.00 C ATOM 319 CG PHE B 1 10.678 1.237 -1.542 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.229 0.168 -2.264 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.375 1.672 -1.826 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.479 -0.462 -3.265 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.625 1.041 -2.828 1.00 0.00 C ATOM 324 CZ PHE B 1 9.177 -0.026 -3.550 1.00 0.00 C ATOM 0 H1 PHE B 1 13.984 1.332 0.274 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.768 2.679 -0.399 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.613 2.894 0.827 1.00 0.00 H new ATOM 0 HA PHE B 1 13.071 1.843 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.679 1.218 0.355 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.908 2.744 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.232 -0.169 -2.048 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.949 2.495 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.904 -1.286 -3.819 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.622 1.377 -3.044 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.601 -0.511 -4.324 1.00 0.00 H new ATOM 336 N VAL B 2 12.551 4.163 -2.724 1.00 0.00 N ATOM 337 CA VAL B 2 12.390 5.570 -3.193 1.00 0.00 C ATOM 338 C VAL B 2 10.931 5.996 -3.037 1.00 0.00 C ATOM 339 O VAL B 2 10.068 5.183 -2.770 1.00 0.00 O ATOM 340 CB VAL B 2 12.790 5.673 -4.672 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.803 4.889 -5.540 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.765 7.138 -5.097 1.00 0.00 C ATOM 0 H VAL B 2 12.587 3.462 -3.464 1.00 0.00 H new ATOM 0 HA VAL B 2 13.029 6.221 -2.597 1.00 0.00 H new ATOM 0 HB VAL B 2 13.790 5.260 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.096 4.969 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.808 3.841 -5.241 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.801 5.298 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.048 7.217 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.761 7.539 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.468 7.706 -4.488 1.00 0.00 H new ATOM 352 N ASN B 3 10.650 7.266 -3.201 1.00 0.00 N ATOM 353 CA ASN B 3 9.244 7.753 -3.068 1.00 0.00 C ATOM 354 C ASN B 3 8.300 6.731 -3.694 1.00 0.00 C ATOM 355 O ASN B 3 8.663 6.023 -4.612 1.00 0.00 O ATOM 356 CB ASN B 3 9.098 9.093 -3.795 1.00 0.00 C ATOM 357 CG ASN B 3 10.040 9.126 -5.002 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.909 8.332 -5.912 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.991 10.017 -5.046 1.00 0.00 N ATOM 0 H ASN B 3 11.337 7.987 -3.422 1.00 0.00 H new ATOM 0 HA ASN B 3 8.998 7.884 -2.014 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.067 9.231 -4.121 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.330 9.914 -3.117 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.625 10.047 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.101 10.684 -4.282 1.00 0.00 H new ATOM 366 N GLN B 4 7.096 6.628 -3.204 1.00 0.00 N ATOM 367 CA GLN B 4 6.163 5.626 -3.781 1.00 0.00 C ATOM 368 C GLN B 4 4.962 6.321 -4.424 1.00 0.00 C ATOM 369 O GLN B 4 3.907 6.426 -3.833 1.00 0.00 O ATOM 370 CB GLN B 4 5.662 4.694 -2.678 1.00 0.00 C ATOM 371 CG GLN B 4 6.294 3.305 -2.824 1.00 0.00 C ATOM 372 CD GLN B 4 6.142 2.799 -4.263 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.141 2.202 -4.607 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.105 3.001 -5.121 1.00 0.00 N ATOM 0 H GLN B 4 6.722 7.188 -2.438 1.00 0.00 H new ATOM 0 HA GLN B 4 6.697 5.055 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.907 5.111 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.576 4.613 -2.727 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.350 3.349 -2.556 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.819 2.608 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.946 3.502 -4.835 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.016 2.658 -6.077 1.00 0.00 H new ATOM 383 N HIS B 5 5.098 6.764 -5.643 1.00 0.00 N ATOM 384 CA HIS B 5 3.948 7.405 -6.328 1.00 0.00 C ATOM 385 C HIS B 5 3.094 6.275 -6.898 1.00 0.00 C ATOM 386 O HIS B 5 3.543 5.510 -7.728 1.00 0.00 O ATOM 387 CB HIS B 5 4.446 8.306 -7.459 1.00 0.00 C ATOM 388 CG HIS B 5 4.370 9.744 -7.018 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.326 10.204 -6.246 1.00 0.00 N ATOM 390 CD2 HIS B 5 5.208 10.799 -7.247 1.00 0.00 C ATOM 391 CE1 HIS B 5 3.555 11.506 -6.027 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.695 11.915 -6.621 1.00 0.00 N ATOM 0 H HIS B 5 5.956 6.709 -6.192 1.00 0.00 H new ATOM 0 HA HIS B 5 3.374 8.023 -5.637 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.472 8.047 -7.721 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.841 8.155 -8.353 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.121 10.764 -7.823 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.908 12.148 -5.447 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.094 12.854 -6.609 1.00 0.00 H new ATOM 400 N LEU B 6 1.891 6.131 -6.431 1.00 0.00 N ATOM 401 CA LEU B 6 1.052 5.003 -6.925 1.00 0.00 C ATOM 402 C LEU B 6 -0.329 5.496 -7.343 1.00 0.00 C ATOM 403 O LEU B 6 -1.049 6.094 -6.570 1.00 0.00 O ATOM 404 CB LEU B 6 0.891 3.979 -5.803 1.00 0.00 C ATOM 405 CG LEU B 6 2.142 3.105 -5.704 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.298 3.910 -5.107 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.848 1.915 -4.797 1.00 0.00 C ATOM 0 H LEU B 6 1.453 6.736 -5.736 1.00 0.00 H new ATOM 0 HA LEU B 6 1.541 4.555 -7.790 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.719 4.490 -4.856 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.017 3.356 -5.992 1.00 0.00 H new ATOM 0 HG LEU B 6 2.418 2.761 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.184 3.279 -5.040 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.511 4.769 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.024 4.257 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.736 1.287 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.571 2.273 -3.805 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.026 1.333 -5.215 1.00 0.00 H new ATOM 419 N CYS B 7 -0.718 5.219 -8.554 1.00 0.00 N ATOM 420 CA CYS B 7 -2.063 5.642 -9.021 1.00 0.00 C ATOM 421 C CYS B 7 -2.676 4.519 -9.856 1.00 0.00 C ATOM 422 O CYS B 7 -2.416 4.393 -11.036 1.00 0.00 O ATOM 423 CB CYS B 7 -1.942 6.908 -9.873 1.00 0.00 C ATOM 424 SG CYS B 7 -1.501 8.311 -8.815 1.00 0.00 S ATOM 0 H CYS B 7 -0.159 4.716 -9.243 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.699 5.852 -8.161 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.184 6.769 -10.644 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.884 7.106 -10.384 1.00 0.00 H new HETATM 429 N DAL B 8 -3.483 3.695 -9.247 1.00 0.00 N HETATM 430 CA DAL B 8 -4.109 2.571 -10.001 1.00 0.00 C HETATM 431 CB DAL B 8 -4.879 1.673 -9.027 1.00 0.00 C HETATM 432 C DAL B 8 -3.022 1.750 -10.701 1.00 0.00 C HETATM 433 O DAL B 8 -2.415 0.875 -10.116 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.193 1.273 -8.281 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.655 2.256 -8.531 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.338 0.850 -9.576 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.793 2.973 -10.748 1.00 0.00 H new HETATM 0 H DAL B 8 -3.609 3.764 -8.237 1.00 0.00 H new ATOM 439 N SER B 9 -2.780 2.029 -11.953 1.00 0.00 N ATOM 440 CA SER B 9 -1.741 1.275 -12.710 1.00 0.00 C ATOM 441 C SER B 9 -0.510 1.052 -11.831 1.00 0.00 C ATOM 442 O SER B 9 0.032 -0.034 -11.774 1.00 0.00 O ATOM 443 CB SER B 9 -1.340 2.074 -13.950 1.00 0.00 C ATOM 444 OG SER B 9 -1.017 3.405 -13.568 1.00 0.00 O ATOM 0 H SER B 9 -3.261 2.752 -12.487 1.00 0.00 H new ATOM 0 HA SER B 9 -2.147 0.308 -13.008 1.00 0.00 H new ATOM 0 HB2 SER B 9 -0.485 1.606 -14.437 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.156 2.079 -14.673 1.00 0.00 H new ATOM 0 HG SER B 9 -0.758 3.919 -14.361 1.00 0.00 H new ATOM 450 N ASP B 10 -0.064 2.064 -11.135 1.00 0.00 N ATOM 451 CA ASP B 10 1.128 1.884 -10.260 1.00 0.00 C ATOM 452 C ASP B 10 0.666 1.323 -8.922 1.00 0.00 C ATOM 453 O ASP B 10 1.356 0.551 -8.287 1.00 0.00 O ATOM 454 CB ASP B 10 1.831 3.225 -10.044 1.00 0.00 C ATOM 455 CG ASP B 10 3.053 3.317 -10.959 1.00 0.00 C ATOM 456 OD1 ASP B 10 2.935 2.933 -12.112 1.00 0.00 O ATOM 457 OD2 ASP B 10 4.085 3.771 -10.493 1.00 0.00 O ATOM 0 H ASP B 10 -0.470 3.000 -11.135 1.00 0.00 H new ATOM 0 HA ASP B 10 1.831 1.197 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.144 4.045 -10.254 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.136 3.324 -9.002 1.00 0.00 H new ATOM 462 N LEU B 11 -0.503 1.697 -8.501 1.00 0.00 N ATOM 463 CA LEU B 11 -1.027 1.176 -7.211 1.00 0.00 C ATOM 464 C LEU B 11 -0.881 -0.341 -7.218 1.00 0.00 C ATOM 465 O LEU B 11 -0.179 -0.921 -6.414 1.00 0.00 O ATOM 466 CB LEU B 11 -2.517 1.521 -7.084 1.00 0.00 C ATOM 467 CG LEU B 11 -2.780 2.359 -5.821 1.00 0.00 C ATOM 468 CD1 LEU B 11 -1.988 1.795 -4.642 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.368 3.814 -6.052 1.00 0.00 C ATOM 0 H LEU B 11 -1.121 2.342 -8.993 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.477 1.618 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.843 2.072 -7.966 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.105 0.604 -7.046 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.846 2.317 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.181 2.396 -3.753 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.294 0.765 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.923 1.821 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.560 4.394 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.306 3.858 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.944 4.228 -6.879 1.00 0.00 H new ATOM 481 N VAL B 12 -1.546 -0.983 -8.137 1.00 0.00 N ATOM 482 CA VAL B 12 -1.463 -2.463 -8.230 1.00 0.00 C ATOM 483 C VAL B 12 -0.028 -2.863 -8.576 1.00 0.00 C ATOM 484 O VAL B 12 0.580 -3.671 -7.905 1.00 0.00 O ATOM 485 CB VAL B 12 -2.415 -2.942 -9.326 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.747 -4.413 -9.102 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.702 -2.118 -9.278 1.00 0.00 C ATOM 0 H VAL B 12 -2.147 -0.541 -8.832 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.743 -2.918 -7.280 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.940 -2.820 -10.299 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.426 -4.756 -9.883 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.830 -5.002 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.223 -4.535 -8.129 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.382 -2.459 -10.059 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.177 -2.241 -8.305 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.466 -1.066 -9.436 1.00 0.00 H new ATOM 497 N GLU B 13 0.522 -2.294 -9.615 1.00 0.00 N ATOM 498 CA GLU B 13 1.921 -2.634 -9.999 1.00 0.00 C ATOM 499 C GLU B 13 2.796 -2.629 -8.747 1.00 0.00 C ATOM 500 O GLU B 13 3.746 -3.378 -8.634 1.00 0.00 O ATOM 501 CB GLU B 13 2.442 -1.587 -10.986 1.00 0.00 C ATOM 502 CG GLU B 13 2.359 -2.143 -12.409 1.00 0.00 C ATOM 503 CD GLU B 13 0.896 -2.376 -12.786 1.00 0.00 C ATOM 504 OE1 GLU B 13 0.285 -3.251 -12.192 1.00 0.00 O ATOM 505 OE2 GLU B 13 0.409 -1.678 -13.658 1.00 0.00 O ATOM 0 H GLU B 13 0.062 -1.608 -10.214 1.00 0.00 H new ATOM 0 HA GLU B 13 1.949 -3.619 -10.464 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.854 -0.672 -10.906 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.473 -1.326 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.819 -1.446 -13.110 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.916 -3.078 -12.478 1.00 0.00 H new ATOM 512 N ALA B 14 2.475 -1.789 -7.801 1.00 0.00 N ATOM 513 CA ALA B 14 3.271 -1.726 -6.548 1.00 0.00 C ATOM 514 C ALA B 14 2.943 -2.946 -5.692 1.00 0.00 C ATOM 515 O ALA B 14 3.787 -3.773 -5.414 1.00 0.00 O ATOM 516 CB ALA B 14 2.897 -0.454 -5.790 1.00 0.00 C ATOM 0 H ALA B 14 1.689 -1.140 -7.845 1.00 0.00 H new ATOM 0 HA ALA B 14 4.337 -1.716 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.475 -0.397 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.115 0.416 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.834 -0.472 -5.551 1.00 0.00 H new ATOM 522 N LEU B 15 1.711 -3.068 -5.280 1.00 0.00 N ATOM 523 CA LEU B 15 1.316 -4.240 -4.453 1.00 0.00 C ATOM 524 C LEU B 15 1.761 -5.518 -5.161 1.00 0.00 C ATOM 525 O LEU B 15 1.976 -6.543 -4.544 1.00 0.00 O ATOM 526 CB LEU B 15 -0.201 -4.244 -4.272 1.00 0.00 C ATOM 527 CG LEU B 15 -0.626 -2.939 -3.588 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.134 -2.711 -3.767 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.298 -3.021 -2.094 1.00 0.00 C ATOM 0 H LEU B 15 0.962 -2.406 -5.481 1.00 0.00 H new ATOM 0 HA LEU B 15 1.790 -4.184 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.695 -4.341 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.506 -5.101 -3.671 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.086 -2.108 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.422 -1.781 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.369 -2.649 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.683 -3.541 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.599 -2.095 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.836 -3.858 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.774 -3.168 -1.964 1.00 0.00 H new ATOM 541 N TYR B 16 1.911 -5.461 -6.456 1.00 0.00 N ATOM 542 CA TYR B 16 2.358 -6.668 -7.207 1.00 0.00 C ATOM 543 C TYR B 16 3.793 -7.002 -6.795 1.00 0.00 C ATOM 544 O TYR B 16 4.066 -8.057 -6.261 1.00 0.00 O ATOM 545 CB TYR B 16 2.314 -6.381 -8.711 1.00 0.00 C ATOM 546 CG TYR B 16 2.131 -7.676 -9.467 1.00 0.00 C ATOM 547 CD1 TYR B 16 3.048 -8.722 -9.295 1.00 0.00 C ATOM 548 CD2 TYR B 16 1.047 -7.831 -10.341 1.00 0.00 C ATOM 549 CE1 TYR B 16 2.880 -9.924 -9.999 1.00 0.00 C ATOM 550 CE2 TYR B 16 0.878 -9.031 -11.042 1.00 0.00 C ATOM 551 CZ TYR B 16 1.796 -10.077 -10.872 1.00 0.00 C ATOM 552 OH TYR B 16 1.630 -11.260 -11.564 1.00 0.00 O ATOM 0 H TYR B 16 1.744 -4.632 -7.026 1.00 0.00 H new ATOM 0 HA TYR B 16 1.701 -7.508 -6.982 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.496 -5.697 -8.937 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.236 -5.891 -9.025 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.883 -8.603 -8.621 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.341 -7.024 -10.474 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.586 -10.731 -9.868 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.041 -9.151 -11.714 1.00 0.00 H new ATOM 0 HH TYR B 16 0.829 -11.201 -12.125 1.00 0.00 H new ATOM 562 N LEU B 17 4.707 -6.100 -7.030 1.00 0.00 N ATOM 563 CA LEU B 17 6.122 -6.357 -6.641 1.00 0.00 C ATOM 564 C LEU B 17 6.228 -6.366 -5.115 1.00 0.00 C ATOM 565 O LEU B 17 6.995 -7.109 -4.540 1.00 0.00 O ATOM 566 CB LEU B 17 7.017 -5.252 -7.208 1.00 0.00 C ATOM 567 CG LEU B 17 7.713 -5.753 -8.473 1.00 0.00 C ATOM 568 CD1 LEU B 17 8.474 -4.599 -9.129 1.00 0.00 C ATOM 569 CD2 LEU B 17 8.698 -6.866 -8.105 1.00 0.00 C ATOM 0 H LEU B 17 4.535 -5.198 -7.474 1.00 0.00 H new ATOM 0 HA LEU B 17 6.443 -7.320 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.421 -4.368 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.759 -4.955 -6.467 1.00 0.00 H new ATOM 0 HG LEU B 17 6.968 -6.139 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.970 -4.957 -10.031 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.775 -3.804 -9.390 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.219 -4.213 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.195 -7.224 -9.006 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.442 -6.478 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.158 -7.689 -7.637 1.00 0.00 H new ATOM 581 N VAL B 18 5.450 -5.547 -4.458 1.00 0.00 N ATOM 582 CA VAL B 18 5.498 -5.507 -2.968 1.00 0.00 C ATOM 583 C VAL B 18 4.929 -6.812 -2.416 1.00 0.00 C ATOM 584 O VAL B 18 5.554 -7.488 -1.620 1.00 0.00 O ATOM 585 CB VAL B 18 4.646 -4.340 -2.462 1.00 0.00 C ATOM 586 CG1 VAL B 18 4.937 -4.102 -0.980 1.00 0.00 C ATOM 587 CG2 VAL B 18 4.986 -3.076 -3.253 1.00 0.00 C ATOM 0 H VAL B 18 4.784 -4.905 -4.888 1.00 0.00 H new ATOM 0 HA VAL B 18 6.529 -5.379 -2.639 1.00 0.00 H new ATOM 0 HB VAL B 18 3.591 -4.579 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.331 -3.271 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.695 -5.001 -0.413 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.993 -3.864 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.379 -2.246 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.041 -2.837 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.781 -3.242 -4.310 1.00 0.00 H new ATOM 597 N CYS B 19 3.744 -7.169 -2.828 1.00 0.00 N ATOM 598 CA CYS B 19 3.127 -8.426 -2.327 1.00 0.00 C ATOM 599 C CYS B 19 3.223 -9.508 -3.405 1.00 0.00 C ATOM 600 O CYS B 19 3.814 -10.549 -3.201 1.00 0.00 O ATOM 601 CB CYS B 19 1.657 -8.168 -1.991 1.00 0.00 C ATOM 602 SG CYS B 19 1.516 -7.631 -0.269 1.00 0.00 S ATOM 0 H CYS B 19 3.176 -6.642 -3.492 1.00 0.00 H new ATOM 0 HA CYS B 19 3.653 -8.760 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.250 -7.406 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.072 -9.074 -2.149 1.00 0.00 H new ATOM 607 N GLY B 20 2.643 -9.270 -4.551 1.00 0.00 N ATOM 608 CA GLY B 20 2.700 -10.286 -5.640 1.00 0.00 C ATOM 609 C GLY B 20 1.806 -11.471 -5.278 1.00 0.00 C ATOM 610 O GLY B 20 0.653 -11.310 -4.933 1.00 0.00 O ATOM 0 H GLY B 20 2.133 -8.417 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.373 -9.844 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.727 -10.622 -5.785 1.00 0.00 H new ATOM 614 N GLU B 21 2.331 -12.662 -5.352 1.00 0.00 N ATOM 615 CA GLU B 21 1.515 -13.859 -5.012 1.00 0.00 C ATOM 616 C GLU B 21 1.174 -13.839 -3.521 1.00 0.00 C ATOM 617 O GLU B 21 0.377 -14.624 -3.045 1.00 0.00 O ATOM 618 CB GLU B 21 2.317 -15.121 -5.335 1.00 0.00 C ATOM 619 CG GLU B 21 3.644 -15.093 -4.575 1.00 0.00 C ATOM 620 CD GLU B 21 3.968 -16.493 -4.051 1.00 0.00 C ATOM 621 OE1 GLU B 21 4.140 -17.384 -4.867 1.00 0.00 O ATOM 622 OE2 GLU B 21 4.038 -16.649 -2.844 1.00 0.00 O ATOM 0 H GLU B 21 3.292 -12.858 -5.634 1.00 0.00 H new ATOM 0 HA GLU B 21 0.593 -13.851 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.746 -16.008 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.502 -15.182 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.442 -14.746 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.584 -14.389 -3.745 1.00 0.00 H new ATOM 629 N ARG B 22 1.773 -12.948 -2.778 1.00 0.00 N ATOM 630 CA ARG B 22 1.484 -12.879 -1.316 1.00 0.00 C ATOM 631 C ARG B 22 0.010 -12.529 -1.098 1.00 0.00 C ATOM 632 O ARG B 22 -0.501 -12.625 -0.001 1.00 0.00 O ATOM 633 CB ARG B 22 2.362 -11.809 -0.664 1.00 0.00 C ATOM 634 CG ARG B 22 3.801 -12.319 -0.575 1.00 0.00 C ATOM 635 CD ARG B 22 3.897 -13.383 0.521 1.00 0.00 C ATOM 636 NE ARG B 22 5.321 -13.777 0.711 1.00 0.00 N ATOM 637 CZ ARG B 22 5.645 -14.617 1.655 1.00 0.00 C ATOM 638 NH1 ARG B 22 5.442 -14.306 2.905 1.00 0.00 N ATOM 639 NH2 ARG B 22 6.173 -15.772 1.346 1.00 0.00 N ATOM 0 H ARG B 22 2.450 -12.265 -3.119 1.00 0.00 H new ATOM 0 HA ARG B 22 1.699 -13.847 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.326 -10.888 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.986 -11.571 0.331 1.00 0.00 H new ATOM 0 HG2 ARG B 22 4.109 -12.739 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.478 -11.493 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.489 -12.996 1.455 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.301 -14.254 0.249 1.00 0.00 H new ATOM 0 HE ARG B 22 6.043 -13.390 0.103 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.029 -13.405 3.146 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.696 -14.964 3.642 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.331 -16.015 0.368 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.427 -16.430 2.083 1.00 0.00 H new ATOM 653 N GLY B 23 -0.679 -12.124 -2.131 1.00 0.00 N ATOM 654 CA GLY B 23 -2.117 -11.772 -1.968 1.00 0.00 C ATOM 655 C GLY B 23 -2.250 -10.269 -1.684 1.00 0.00 C ATOM 656 O GLY B 23 -2.110 -9.836 -0.560 1.00 0.00 O ATOM 0 H GLY B 23 -0.309 -12.022 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.670 -12.032 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.552 -12.347 -1.151 1.00 0.00 H new ATOM 660 N PHE B 24 -2.520 -9.472 -2.688 1.00 0.00 N ATOM 661 CA PHE B 24 -2.663 -8.000 -2.450 1.00 0.00 C ATOM 662 C PHE B 24 -3.937 -7.489 -3.129 1.00 0.00 C ATOM 663 O PHE B 24 -4.274 -7.892 -4.226 1.00 0.00 O ATOM 664 CB PHE B 24 -1.440 -7.251 -3.007 1.00 0.00 C ATOM 665 CG PHE B 24 -1.555 -7.093 -4.511 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.338 -6.063 -5.060 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.881 -7.982 -5.359 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.445 -5.929 -6.450 1.00 0.00 C ATOM 669 CE2 PHE B 24 -0.990 -7.846 -6.748 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.769 -6.824 -7.293 1.00 0.00 C ATOM 0 H PHE B 24 -2.647 -9.772 -3.655 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.728 -7.820 -1.377 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.361 -6.271 -2.537 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.529 -7.796 -2.761 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.857 -5.375 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.277 -8.773 -4.940 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.047 -5.138 -6.872 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.470 -8.533 -7.399 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.852 -6.722 -8.365 1.00 0.00 H new ATOM 680 N PHE B 25 -4.648 -6.604 -2.485 1.00 0.00 N ATOM 681 CA PHE B 25 -5.898 -6.066 -3.090 1.00 0.00 C ATOM 682 C PHE B 25 -6.181 -4.670 -2.528 1.00 0.00 C ATOM 683 O PHE B 25 -6.837 -4.519 -1.517 1.00 0.00 O ATOM 684 CB PHE B 25 -7.068 -6.995 -2.755 1.00 0.00 C ATOM 685 CG PHE B 25 -8.182 -6.781 -3.750 1.00 0.00 C ATOM 686 CD1 PHE B 25 -8.995 -5.646 -3.655 1.00 0.00 C ATOM 687 CD2 PHE B 25 -8.401 -7.719 -4.768 1.00 0.00 C ATOM 688 CE1 PHE B 25 -10.031 -5.447 -4.580 1.00 0.00 C ATOM 689 CE2 PHE B 25 -9.437 -7.520 -5.691 1.00 0.00 C ATOM 690 CZ PHE B 25 -10.250 -6.385 -5.597 1.00 0.00 C ATOM 0 H PHE B 25 -4.416 -6.230 -1.565 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.778 -6.005 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.739 -8.034 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.426 -6.797 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.825 -4.924 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.772 -8.594 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.659 -4.571 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.608 -8.243 -6.475 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.047 -6.232 -6.309 1.00 0.00 H new ATOM 700 N TYR B 26 -5.690 -3.650 -3.175 1.00 0.00 N ATOM 701 CA TYR B 26 -5.927 -2.265 -2.678 1.00 0.00 C ATOM 702 C TYR B 26 -7.432 -1.965 -2.691 1.00 0.00 C ATOM 703 O TYR B 26 -8.235 -2.783 -3.093 1.00 0.00 O ATOM 704 CB TYR B 26 -5.186 -1.262 -3.577 1.00 0.00 C ATOM 705 CG TYR B 26 -5.982 -0.997 -4.838 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.326 -2.056 -5.688 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.376 0.310 -5.153 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.067 -1.810 -6.851 1.00 0.00 C ATOM 709 CE2 TYR B 26 -7.117 0.558 -6.317 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.462 -0.502 -7.165 1.00 0.00 C ATOM 711 OH TYR B 26 -8.191 -0.260 -8.312 1.00 0.00 O ATOM 0 H TYR B 26 -5.134 -3.715 -4.028 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.553 -2.175 -1.658 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.026 -0.329 -3.037 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.202 -1.653 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.020 -3.063 -5.446 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.109 1.127 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.334 -2.627 -7.505 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.422 1.565 -6.560 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.384 0.698 -8.381 1.00 0.00 H new ATOM 721 N THR B 27 -7.815 -0.794 -2.256 1.00 0.00 N ATOM 722 CA THR B 27 -9.264 -0.440 -2.247 1.00 0.00 C ATOM 723 C THR B 27 -9.533 0.611 -3.325 1.00 0.00 C ATOM 724 O THR B 27 -8.662 1.374 -3.692 1.00 0.00 O ATOM 725 CB THR B 27 -9.641 0.128 -0.876 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.460 0.349 -0.117 1.00 0.00 O ATOM 727 CG2 THR B 27 -10.544 -0.863 -0.141 1.00 0.00 C ATOM 0 H THR B 27 -7.188 -0.069 -1.907 1.00 0.00 H new ATOM 0 HA THR B 27 -9.860 -1.330 -2.447 1.00 0.00 H new ATOM 0 HB THR B 27 -10.172 1.071 -1.006 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.699 0.714 0.761 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.811 -0.457 0.835 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.449 -1.032 -0.724 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.016 -1.807 -0.009 1.00 0.00 H new ATOM 735 N LYS B 28 -10.732 0.659 -3.838 1.00 0.00 N ATOM 736 CA LYS B 28 -11.048 1.662 -4.892 1.00 0.00 C ATOM 737 C LYS B 28 -12.520 2.104 -4.797 1.00 0.00 C ATOM 738 O LYS B 28 -13.180 2.210 -5.810 1.00 0.00 O ATOM 739 CB LYS B 28 -10.806 1.032 -6.265 1.00 0.00 C ATOM 740 CG LYS B 28 -11.517 -0.323 -6.338 1.00 0.00 C ATOM 741 CD LYS B 28 -11.285 -0.948 -7.716 1.00 0.00 C ATOM 742 CE LYS B 28 -12.588 -1.572 -8.219 1.00 0.00 C ATOM 743 NZ LYS B 28 -13.332 -0.572 -9.036 1.00 0.00 N ATOM 0 H LYS B 28 -11.505 0.048 -3.573 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.409 2.534 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.176 1.692 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.737 0.903 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.141 -0.985 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.585 -0.195 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.938 -0.189 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.505 -1.707 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.373 -2.458 -8.816 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.198 -1.896 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.218 -0.994 -9.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.549 0.261 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.749 -0.284 -9.848 1.00 0.00 H new ATOM 757 N PRO B 29 -13.002 2.361 -3.597 1.00 0.00 N ATOM 758 CA PRO B 29 -14.396 2.804 -3.403 1.00 0.00 C ATOM 759 C PRO B 29 -14.555 4.265 -3.831 1.00 0.00 C ATOM 760 O PRO B 29 -15.300 4.580 -4.738 1.00 0.00 O ATOM 761 CB PRO B 29 -14.626 2.649 -1.897 1.00 0.00 C ATOM 762 CG PRO B 29 -13.226 2.678 -1.243 1.00 0.00 C ATOM 763 CD PRO B 29 -12.229 2.245 -2.335 1.00 0.00 C ATOM 0 HA PRO B 29 -15.110 2.232 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.252 3.455 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.140 1.714 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.990 3.676 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.183 2.004 -0.388 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.348 2.886 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.879 1.225 -2.174 1.00 0.00 H new ATOM 771 N THR B 30 -13.862 5.161 -3.184 1.00 0.00 N ATOM 772 CA THR B 30 -13.970 6.600 -3.554 1.00 0.00 C ATOM 773 C THR B 30 -12.582 7.148 -3.887 1.00 0.00 C ATOM 774 O THR B 30 -12.047 6.767 -4.916 1.00 0.00 O ATOM 775 CB THR B 30 -14.560 7.386 -2.379 1.00 0.00 C ATOM 776 OG1 THR B 30 -14.529 8.775 -2.678 1.00 0.00 O ATOM 777 CG2 THR B 30 -13.740 7.115 -1.120 1.00 0.00 C ATOM 778 OXT THR B 30 -12.078 7.942 -3.111 1.00 0.00 O ATOM 0 H THR B 30 -13.225 4.958 -2.414 1.00 0.00 H new ATOM 0 HA THR B 30 -14.619 6.703 -4.424 1.00 0.00 H new ATOM 0 HB THR B 30 -15.591 7.073 -2.212 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.601 9.060 -2.815 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.160 7.675 -0.284 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.765 6.049 -0.892 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.709 7.427 -1.283 1.00 0.00 H new TER 786 THR B 30