USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 88:sc= 1.08 USER MOD Set 1.2: A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.37) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 15 CYS SG : rot -165:sc= -0.668 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -176:sc= 0 (180deg=-0.0327) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 135:sc= 0.00596 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.18) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= -1.31 (180deg=-1.33) USER MOD Single : A 59 TYR OH : rot -120:sc= -0.373 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 10.880 4.248 2.978 1.00 0.00 N ATOM 19 CA ARG A 2 9.422 4.185 2.954 1.00 0.00 C ATOM 20 C ARG A 2 8.889 5.090 1.861 1.00 0.00 C ATOM 21 O ARG A 2 9.521 6.080 1.500 1.00 0.00 O ATOM 22 CB ARG A 2 8.829 4.479 4.345 1.00 0.00 C ATOM 23 CG ARG A 2 8.542 5.963 4.549 1.00 0.00 C ATOM 24 CD ARG A 2 8.127 6.356 5.970 1.00 0.00 C ATOM 25 NE ARG A 2 8.870 7.552 6.381 1.00 0.00 N ATOM 26 CZ ARG A 2 9.387 7.846 7.570 1.00 0.00 C ATOM 27 NH1 ARG A 2 9.054 7.182 8.673 1.00 0.00 N ATOM 28 NH2 ARG A 2 10.257 8.842 7.616 1.00 0.00 N ATOM 0 HA ARG A 2 9.102 3.171 2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.907 3.912 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.522 4.136 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.433 6.530 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.752 6.262 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.055 6.550 6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.327 5.535 6.659 1.00 0.00 H new ATOM 0 HE ARG A 2 9.009 8.255 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.380 6.418 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.472 7.437 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.502 9.345 6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.682 9.107 8.504 1.00 0.00 H new ATOM 42 N TYR A 3 7.692 4.779 1.383 1.00 0.00 N ATOM 43 CA TYR A 3 7.086 5.436 0.245 1.00 0.00 C ATOM 44 C TYR A 3 5.605 5.524 0.526 1.00 0.00 C ATOM 45 O TYR A 3 5.012 4.511 0.897 1.00 0.00 O ATOM 46 CB TYR A 3 7.336 4.615 -1.024 1.00 0.00 C ATOM 47 CG TYR A 3 8.794 4.230 -1.234 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.288 3.050 -0.642 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.668 5.062 -1.958 1.00 0.00 C ATOM 50 CE1 TYR A 3 10.631 2.670 -0.812 1.00 0.00 C ATOM 51 CE2 TYR A 3 11.022 4.705 -2.105 1.00 0.00 C ATOM 52 CZ TYR A 3 11.499 3.489 -1.568 1.00 0.00 C ATOM 53 OH TYR A 3 12.780 3.093 -1.798 1.00 0.00 O ATOM 0 H TYR A 3 7.107 4.047 1.787 1.00 0.00 H new ATOM 0 HA TYR A 3 7.511 6.428 0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.733 3.708 -0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.993 5.186 -1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.628 2.431 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.300 5.975 -2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.997 1.757 -0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.698 5.363 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 3 13.241 3.771 -2.335 1.00 0.00 H new ATOM 63 N VAL A 4 5.010 6.705 0.380 1.00 0.00 N ATOM 64 CA VAL A 4 3.573 6.889 0.431 1.00 0.00 C ATOM 65 C VAL A 4 3.020 6.646 -0.967 1.00 0.00 C ATOM 66 O VAL A 4 3.516 7.195 -1.947 1.00 0.00 O ATOM 67 CB VAL A 4 3.227 8.271 1.019 1.00 0.00 C ATOM 68 CG1 VAL A 4 3.609 9.471 0.149 1.00 0.00 C ATOM 69 CG2 VAL A 4 1.736 8.356 1.356 1.00 0.00 C ATOM 0 H VAL A 4 5.526 7.571 0.221 1.00 0.00 H new ATOM 0 HA VAL A 4 3.099 6.173 1.102 1.00 0.00 H new ATOM 0 HB VAL A 4 3.842 8.341 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.322 10.393 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.686 9.470 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.091 9.406 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.512 9.339 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.149 8.201 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.484 7.588 2.088 1.00 0.00 H new ATOM 79 N LEU A 5 1.997 5.810 -1.057 1.00 0.00 N ATOM 80 CA LEU A 5 1.254 5.382 -2.222 1.00 0.00 C ATOM 81 C LEU A 5 -0.166 5.904 -2.076 1.00 0.00 C ATOM 82 O LEU A 5 -0.807 5.748 -1.032 1.00 0.00 O ATOM 83 CB LEU A 5 1.178 3.853 -2.301 1.00 0.00 C ATOM 84 CG LEU A 5 2.519 3.120 -2.437 1.00 0.00 C ATOM 85 CD1 LEU A 5 3.232 2.860 -1.123 1.00 0.00 C ATOM 86 CD2 LEU A 5 2.289 1.783 -3.146 1.00 0.00 C ATOM 0 H LEU A 5 1.629 5.367 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 5 1.749 5.759 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.676 3.487 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.551 3.583 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 5 3.167 3.783 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.170 2.338 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.439 3.809 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.600 2.246 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.238 1.256 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.597 1.176 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.868 1.963 -4.135 1.00 0.00 H new ATOM 98 N TYR A 6 -0.670 6.466 -3.157 1.00 0.00 N ATOM 99 CA TYR A 6 -2.003 7.012 -3.264 1.00 0.00 C ATOM 100 C TYR A 6 -2.873 5.916 -3.863 1.00 0.00 C ATOM 101 O TYR A 6 -2.811 5.669 -5.065 1.00 0.00 O ATOM 102 CB TYR A 6 -1.924 8.267 -4.133 1.00 0.00 C ATOM 103 CG TYR A 6 -3.226 9.006 -4.326 1.00 0.00 C ATOM 104 CD1 TYR A 6 -4.230 9.015 -3.337 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.405 9.736 -5.510 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.423 9.718 -3.555 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.571 10.477 -5.711 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.600 10.459 -4.746 1.00 0.00 C ATOM 109 OH TYR A 6 -6.756 11.137 -4.987 1.00 0.00 O ATOM 0 H TYR A 6 -0.136 6.557 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.436 7.310 -2.309 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.201 8.951 -3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.537 7.986 -5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.080 8.480 -2.411 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.637 9.725 -6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.207 9.694 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.686 11.066 -6.609 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.695 11.589 -5.855 1.00 0.00 H new ATOM 119 N VAL A 7 -3.623 5.202 -3.029 1.00 0.00 N ATOM 120 CA VAL A 7 -4.490 4.104 -3.444 1.00 0.00 C ATOM 121 C VAL A 7 -5.955 4.553 -3.263 1.00 0.00 C ATOM 122 O VAL A 7 -6.564 4.273 -2.225 1.00 0.00 O ATOM 123 CB VAL A 7 -4.117 2.815 -2.687 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.801 1.588 -3.322 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.595 2.584 -2.629 1.00 0.00 C ATOM 0 H VAL A 7 -3.645 5.374 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.356 3.860 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.474 2.944 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.522 0.690 -2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.883 1.715 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.482 1.490 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.387 1.663 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.200 2.504 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.119 3.422 -2.119 1.00 0.00 H new ATOM 135 N PRO A 8 -6.551 5.251 -4.249 1.00 0.00 N ATOM 136 CA PRO A 8 -7.902 5.802 -4.139 1.00 0.00 C ATOM 137 C PRO A 8 -8.998 4.748 -3.943 1.00 0.00 C ATOM 138 O PRO A 8 -10.043 5.067 -3.373 1.00 0.00 O ATOM 139 CB PRO A 8 -8.137 6.638 -5.398 1.00 0.00 C ATOM 140 CG PRO A 8 -7.114 6.087 -6.384 1.00 0.00 C ATOM 141 CD PRO A 8 -5.952 5.647 -5.512 1.00 0.00 C ATOM 0 HA PRO A 8 -7.966 6.409 -3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.155 6.526 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.982 7.700 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.521 5.253 -6.955 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.806 6.846 -7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.410 4.818 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.236 6.457 -5.371 1.00 0.00 H new ATOM 149 N ASP A 9 -8.745 3.501 -4.351 1.00 0.00 N ATOM 150 CA ASP A 9 -9.631 2.347 -4.173 1.00 0.00 C ATOM 151 C ASP A 9 -9.807 1.973 -2.710 1.00 0.00 C ATOM 152 O ASP A 9 -10.734 1.236 -2.365 1.00 0.00 O ATOM 153 CB ASP A 9 -9.062 1.130 -4.930 1.00 0.00 C ATOM 154 CG ASP A 9 -9.585 1.023 -6.358 1.00 0.00 C ATOM 155 OD1 ASP A 9 -10.763 0.625 -6.500 1.00 0.00 O ATOM 156 OD2 ASP A 9 -8.808 1.300 -7.300 1.00 0.00 O ATOM 0 H ASP A 9 -7.881 3.258 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.606 2.629 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.974 1.197 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.315 0.220 -4.387 1.00 0.00 H new ATOM 161 N ILE A 10 -8.976 2.509 -1.814 1.00 0.00 N ATOM 162 CA ILE A 10 -9.185 2.360 -0.386 1.00 0.00 C ATOM 163 C ILE A 10 -10.198 3.432 0.056 1.00 0.00 C ATOM 164 O ILE A 10 -9.966 4.144 1.032 1.00 0.00 O ATOM 165 CB ILE A 10 -7.864 2.403 0.406 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.798 1.535 -0.275 1.00 0.00 C ATOM 167 CG2 ILE A 10 -8.107 1.832 1.820 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.439 1.584 0.414 1.00 0.00 C ATOM 0 H ILE A 10 -8.149 3.052 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.595 1.374 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.521 3.437 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.145 0.502 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.684 1.860 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.177 1.859 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.861 2.432 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.455 0.802 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.736 0.947 -0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.070 2.609 0.417 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.538 1.231 1.440 1.00 0.00 H new ATOM 180 N SER A 11 -11.310 3.594 -0.664 1.00 0.00 N ATOM 181 CA SER A 11 -12.379 4.488 -0.249 1.00 0.00 C ATOM 182 C SER A 11 -13.130 3.880 0.941 1.00 0.00 C ATOM 183 O SER A 11 -13.785 4.624 1.673 1.00 0.00 O ATOM 184 CB SER A 11 -13.322 4.732 -1.431 1.00 0.00 C ATOM 185 OG SER A 11 -14.019 5.961 -1.351 1.00 0.00 O ATOM 0 H SER A 11 -11.489 3.110 -1.544 1.00 0.00 H new ATOM 0 HA SER A 11 -11.963 5.445 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.746 4.709 -2.356 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.043 3.917 -1.485 1.00 0.00 H new ATOM 0 HG SER A 11 -14.602 6.058 -2.133 1.00 0.00 H new ATOM 191 N CYS A 12 -13.046 2.558 1.158 1.00 0.00 N ATOM 192 CA CYS A 12 -13.734 1.892 2.276 1.00 0.00 C ATOM 193 C CYS A 12 -12.763 1.197 3.241 1.00 0.00 C ATOM 194 O CYS A 12 -11.654 0.817 2.867 1.00 0.00 O ATOM 195 CB CYS A 12 -14.791 0.912 1.752 1.00 0.00 C ATOM 196 SG CYS A 12 -15.897 1.712 0.556 1.00 0.00 S ATOM 0 H CYS A 12 -12.504 1.925 0.569 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.234 2.671 2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.299 0.060 1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.375 0.523 2.586 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.775 0.851 0.134 1.00 0.00 H new ATOM 202 N ASN A 13 -13.180 1.006 4.498 1.00 0.00 N ATOM 203 CA ASN A 13 -12.319 0.498 5.574 1.00 0.00 C ATOM 204 C ASN A 13 -11.971 -0.973 5.345 1.00 0.00 C ATOM 205 O ASN A 13 -10.834 -1.379 5.566 1.00 0.00 O ATOM 206 CB ASN A 13 -12.971 0.723 6.954 1.00 0.00 C ATOM 207 CG ASN A 13 -11.942 0.860 8.083 1.00 0.00 C ATOM 208 OD1 ASN A 13 -11.116 -0.020 8.328 1.00 0.00 O ATOM 209 ND2 ASN A 13 -12.005 1.946 8.842 1.00 0.00 N ATOM 0 H ASN A 13 -14.134 1.202 4.801 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.385 1.060 5.560 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.586 1.622 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.638 -0.110 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.368 2.054 9.631 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.690 2.673 8.636 1.00 0.00 H new ATOM 216 N HIS A 14 -12.901 -1.765 4.801 1.00 0.00 N ATOM 217 CA HIS A 14 -12.601 -3.126 4.354 1.00 0.00 C ATOM 218 C HIS A 14 -11.492 -3.142 3.304 1.00 0.00 C ATOM 219 O HIS A 14 -10.616 -4.007 3.362 1.00 0.00 O ATOM 220 CB HIS A 14 -13.872 -3.808 3.835 1.00 0.00 C ATOM 221 CG HIS A 14 -13.619 -5.225 3.387 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.310 -5.620 2.107 1.00 0.00 N ATOM 223 CD2 HIS A 14 -13.530 -6.326 4.193 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.016 -6.927 2.141 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.150 -7.414 3.395 1.00 0.00 N ATOM 0 H HIS A 14 -13.871 -1.484 4.660 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.235 -3.691 5.211 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.628 -3.807 4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.276 -3.233 3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.719 -6.353 5.256 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.714 -7.511 1.284 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.004 -8.377 3.699 1.00 0.00 H new ATOM 233 N CYS A 15 -11.472 -2.169 2.390 1.00 0.00 N ATOM 234 CA CYS A 15 -10.430 -2.089 1.383 1.00 0.00 C ATOM 235 C CYS A 15 -9.048 -1.988 2.042 1.00 0.00 C ATOM 236 O CYS A 15 -8.089 -2.560 1.532 1.00 0.00 O ATOM 237 CB CYS A 15 -10.672 -0.910 0.439 1.00 0.00 C ATOM 238 SG CYS A 15 -12.334 -0.937 -0.283 1.00 0.00 S ATOM 0 H CYS A 15 -12.170 -1.428 2.333 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.459 -3.004 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.530 0.024 0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.931 -0.929 -0.360 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.383 -0.117 -1.290 1.00 0.00 H new ATOM 244 N LYS A 16 -8.926 -1.321 3.200 1.00 0.00 N ATOM 245 CA LYS A 16 -7.657 -1.192 3.922 1.00 0.00 C ATOM 246 C LYS A 16 -7.075 -2.579 4.246 1.00 0.00 C ATOM 247 O LYS A 16 -5.874 -2.791 4.052 1.00 0.00 O ATOM 248 CB LYS A 16 -7.842 -0.269 5.147 1.00 0.00 C ATOM 249 CG LYS A 16 -6.527 0.044 5.870 1.00 0.00 C ATOM 250 CD LYS A 16 -6.773 0.729 7.220 1.00 0.00 C ATOM 251 CE LYS A 16 -5.793 0.205 8.266 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.443 -0.095 9.554 1.00 0.00 N ATOM 0 H LYS A 16 -9.708 -0.856 3.661 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.909 -0.709 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.303 0.664 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.532 -0.740 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.969 -0.879 6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.910 0.687 5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.660 1.808 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.797 0.546 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.312 -0.697 7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.007 0.943 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.733 -0.447 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.880 0.770 9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.175 -0.820 9.413 1.00 0.00 H new ATOM 266 N MET A 17 -7.906 -3.556 4.637 1.00 0.00 N ATOM 267 CA MET A 17 -7.438 -4.927 4.864 1.00 0.00 C ATOM 268 C MET A 17 -6.866 -5.567 3.602 1.00 0.00 C ATOM 269 O MET A 17 -5.910 -6.329 3.726 1.00 0.00 O ATOM 270 CB MET A 17 -8.525 -5.845 5.431 1.00 0.00 C ATOM 271 CG MET A 17 -8.626 -5.781 6.956 1.00 0.00 C ATOM 272 SD MET A 17 -9.608 -7.117 7.703 1.00 0.00 S ATOM 273 CE MET A 17 -11.215 -6.854 6.915 1.00 0.00 C ATOM 0 H MET A 17 -8.903 -3.421 4.802 1.00 0.00 H new ATOM 0 HA MET A 17 -6.645 -4.826 5.605 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.487 -5.571 4.997 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.320 -6.872 5.129 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.620 -5.808 7.376 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.064 -4.824 7.239 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.941 -7.554 7.327 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.549 -5.833 7.101 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.124 -7.016 5.841 1.00 0.00 H new ATOM 283 N ARG A 18 -7.388 -5.282 2.399 1.00 0.00 N ATOM 284 CA ARG A 18 -6.948 -5.978 1.182 1.00 0.00 C ATOM 285 C ARG A 18 -5.467 -5.742 0.932 1.00 0.00 C ATOM 286 O ARG A 18 -4.728 -6.639 0.531 1.00 0.00 O ATOM 287 CB ARG A 18 -7.771 -5.530 -0.037 1.00 0.00 C ATOM 288 CG ARG A 18 -9.264 -5.876 0.107 1.00 0.00 C ATOM 289 CD ARG A 18 -9.871 -6.517 -1.152 1.00 0.00 C ATOM 290 NE ARG A 18 -10.926 -7.500 -0.875 1.00 0.00 N ATOM 291 CZ ARG A 18 -11.919 -7.806 -1.725 1.00 0.00 C ATOM 292 NH1 ARG A 18 -12.241 -7.026 -2.750 1.00 0.00 N ATOM 293 NH2 ARG A 18 -12.628 -8.914 -1.532 1.00 0.00 N ATOM 0 H ARG A 18 -8.111 -4.579 2.244 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.110 -7.046 1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.661 -4.454 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.375 -6.005 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.391 -6.557 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.818 -4.968 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.280 -5.730 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.076 -7.003 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.903 -7.983 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.727 -6.160 -2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.002 -7.293 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.416 -9.524 -0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.384 -9.154 -2.173 1.00 0.00 H new ATOM 307 N ILE A 19 -5.014 -4.524 1.213 1.00 0.00 N ATOM 308 CA ILE A 19 -3.624 -4.159 1.091 1.00 0.00 C ATOM 309 C ILE A 19 -2.839 -4.963 2.108 1.00 0.00 C ATOM 310 O ILE A 19 -1.905 -5.664 1.712 1.00 0.00 O ATOM 311 CB ILE A 19 -3.471 -2.633 1.246 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.043 -1.952 -0.008 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.011 -2.204 1.427 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.529 -1.674 0.098 1.00 0.00 C ATOM 0 H ILE A 19 -5.613 -3.763 1.534 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.225 -4.397 0.105 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.012 -2.333 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.514 -1.014 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.858 -2.585 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.961 -1.120 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.602 -2.674 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.431 -2.512 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.875 -1.193 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.065 -2.612 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.717 -1.017 0.947 1.00 0.00 H new ATOM 326 N SER A 20 -3.197 -4.845 3.388 1.00 0.00 N ATOM 327 CA SER A 20 -2.426 -5.437 4.463 1.00 0.00 C ATOM 328 C SER A 20 -2.318 -6.927 4.309 1.00 0.00 C ATOM 329 O SER A 20 -1.216 -7.427 4.452 1.00 0.00 O ATOM 330 CB SER A 20 -3.039 -5.142 5.803 1.00 0.00 C ATOM 331 OG SER A 20 -2.157 -5.416 6.862 1.00 0.00 O ATOM 0 H SER A 20 -4.026 -4.338 3.699 1.00 0.00 H new ATOM 0 HA SER A 20 -1.432 -4.993 4.409 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.336 -4.094 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.945 -5.735 5.925 1.00 0.00 H new ATOM 0 HG SER A 20 -1.612 -4.623 7.048 1.00 0.00 H new ATOM 337 N LYS A 21 -3.410 -7.634 4.011 1.00 0.00 N ATOM 338 CA LYS A 21 -3.354 -9.084 3.953 1.00 0.00 C ATOM 339 C LYS A 21 -2.232 -9.513 3.004 1.00 0.00 C ATOM 340 O LYS A 21 -1.418 -10.364 3.337 1.00 0.00 O ATOM 341 CB LYS A 21 -4.703 -9.667 3.488 1.00 0.00 C ATOM 342 CG LYS A 21 -5.644 -10.070 4.636 1.00 0.00 C ATOM 343 CD LYS A 21 -5.824 -11.593 4.717 1.00 0.00 C ATOM 344 CE LYS A 21 -6.874 -11.942 5.773 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.073 -13.399 5.940 1.00 0.00 N ATOM 0 H LYS A 21 -4.325 -7.230 3.811 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.149 -9.469 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.207 -8.932 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.513 -10.541 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.244 -9.700 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.615 -9.596 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.130 -11.983 3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.874 -12.067 4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.576 -11.511 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.823 -11.482 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.796 -13.569 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.386 -13.812 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.177 -13.841 6.231 1.00 0.00 H new ATOM 359 N ALA A 22 -2.149 -8.840 1.856 1.00 0.00 N ATOM 360 CA ALA A 22 -1.135 -9.067 0.852 1.00 0.00 C ATOM 361 C ALA A 22 0.238 -8.533 1.308 1.00 0.00 C ATOM 362 O ALA A 22 1.273 -9.121 1.006 1.00 0.00 O ATOM 363 CB ALA A 22 -1.680 -8.430 -0.434 1.00 0.00 C ATOM 0 H ALA A 22 -2.808 -8.104 1.602 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.943 -10.125 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.959 -8.565 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.622 -8.907 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.846 -7.365 -0.270 1.00 0.00 H new ATOM 369 N LEU A 23 0.296 -7.385 1.995 1.00 0.00 N ATOM 370 CA LEU A 23 1.529 -6.791 2.515 1.00 0.00 C ATOM 371 C LEU A 23 2.199 -7.710 3.532 1.00 0.00 C ATOM 372 O LEU A 23 3.401 -7.945 3.467 1.00 0.00 O ATOM 373 CB LEU A 23 1.218 -5.444 3.189 1.00 0.00 C ATOM 374 CG LEU A 23 1.027 -4.232 2.274 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.880 -2.995 3.155 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.182 -4.005 1.291 1.00 0.00 C ATOM 0 H LEU A 23 -0.534 -6.832 2.208 1.00 0.00 H new ATOM 0 HA LEU A 23 2.207 -6.643 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.312 -5.565 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.027 -5.219 3.884 1.00 0.00 H new ATOM 0 HG LEU A 23 0.141 -4.421 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.742 -2.115 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.015 -3.114 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.777 -2.871 3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.971 -3.128 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.106 -3.846 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.290 -4.879 0.649 1.00 0.00 H new ATOM 388 N GLU A 24 1.430 -8.191 4.497 1.00 0.00 N ATOM 389 CA GLU A 24 1.914 -9.022 5.581 1.00 0.00 C ATOM 390 C GLU A 24 2.514 -10.333 5.070 1.00 0.00 C ATOM 391 O GLU A 24 3.337 -10.906 5.779 1.00 0.00 O ATOM 392 CB GLU A 24 0.769 -9.294 6.565 1.00 0.00 C ATOM 393 CG GLU A 24 0.198 -8.009 7.185 1.00 0.00 C ATOM 394 CD GLU A 24 0.265 -8.030 8.700 1.00 0.00 C ATOM 395 OE1 GLU A 24 1.298 -7.592 9.256 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.740 -8.423 9.327 1.00 0.00 O ATOM 0 H GLU A 24 0.428 -8.008 4.546 1.00 0.00 H new ATOM 0 HA GLU A 24 2.714 -8.487 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.029 -9.828 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.127 -9.948 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.752 -7.148 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.838 -7.884 6.870 1.00 0.00 H new ATOM 403 N GLU A 25 2.158 -10.796 3.865 1.00 0.00 N ATOM 404 CA GLU A 25 2.786 -11.951 3.221 1.00 0.00 C ATOM 405 C GLU A 25 3.999 -11.530 2.379 1.00 0.00 C ATOM 406 O GLU A 25 5.001 -12.243 2.368 1.00 0.00 O ATOM 407 CB GLU A 25 1.763 -12.756 2.396 1.00 0.00 C ATOM 408 CG GLU A 25 0.616 -13.256 3.295 1.00 0.00 C ATOM 409 CD GLU A 25 -0.124 -14.492 2.787 1.00 0.00 C ATOM 410 OE1 GLU A 25 -0.777 -14.444 1.715 1.00 0.00 O ATOM 411 OE2 GLU A 25 -0.065 -15.527 3.497 1.00 0.00 O ATOM 0 H GLU A 25 1.417 -10.373 3.306 1.00 0.00 H new ATOM 0 HA GLU A 25 3.155 -12.611 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.361 -12.133 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.257 -13.604 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.021 -13.476 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.104 -12.448 3.419 1.00 0.00 H new ATOM 418 N LEU A 26 3.992 -10.328 1.785 1.00 0.00 N ATOM 419 CA LEU A 26 5.065 -9.758 0.980 1.00 0.00 C ATOM 420 C LEU A 26 6.362 -9.562 1.785 1.00 0.00 C ATOM 421 O LEU A 26 7.421 -9.301 1.216 1.00 0.00 O ATOM 422 CB LEU A 26 4.507 -8.428 0.430 1.00 0.00 C ATOM 423 CG LEU A 26 5.475 -7.596 -0.403 1.00 0.00 C ATOM 424 CD1 LEU A 26 5.992 -8.304 -1.653 1.00 0.00 C ATOM 425 CD2 LEU A 26 4.802 -6.299 -0.846 1.00 0.00 C ATOM 0 H LEU A 26 3.192 -9.700 1.862 1.00 0.00 H new ATOM 0 HA LEU A 26 5.352 -10.430 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.630 -8.648 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.168 -7.823 1.271 1.00 0.00 H new ATOM 0 HG LEU A 26 6.329 -7.410 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.674 -7.644 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.519 -9.214 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.153 -8.560 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.501 -5.711 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.922 -6.532 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.502 -5.727 0.032 1.00 0.00 H new ATOM 437 N GLY A 27 6.319 -9.675 3.113 1.00 0.00 N ATOM 438 CA GLY A 27 7.494 -9.457 3.937 1.00 0.00 C ATOM 439 C GLY A 27 7.770 -7.972 4.098 1.00 0.00 C ATOM 440 O GLY A 27 8.928 -7.589 4.275 1.00 0.00 O ATOM 0 H GLY A 27 5.478 -9.917 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.347 -9.913 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.357 -9.945 3.484 1.00 0.00 H new ATOM 444 N VAL A 28 6.728 -7.133 4.048 1.00 0.00 N ATOM 445 CA VAL A 28 6.800 -5.849 4.729 1.00 0.00 C ATOM 446 C VAL A 28 7.010 -6.130 6.224 1.00 0.00 C ATOM 447 O VAL A 28 6.627 -7.193 6.717 1.00 0.00 O ATOM 448 CB VAL A 28 5.502 -5.045 4.466 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.352 -5.417 5.408 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.742 -3.533 4.514 1.00 0.00 C ATOM 0 H VAL A 28 5.853 -7.318 3.557 1.00 0.00 H new ATOM 0 HA VAL A 28 7.629 -5.246 4.358 1.00 0.00 H new ATOM 0 HB VAL A 28 5.200 -5.324 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.475 -4.816 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.111 -6.473 5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.650 -5.227 6.439 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.805 -3.010 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.120 -3.256 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.473 -3.256 3.754 1.00 0.00 H new ATOM 460 N LYS A 29 7.484 -5.138 6.972 1.00 0.00 N ATOM 461 CA LYS A 29 7.387 -5.123 8.426 1.00 0.00 C ATOM 462 C LYS A 29 6.841 -3.805 8.950 1.00 0.00 C ATOM 463 O LYS A 29 6.434 -3.761 10.109 1.00 0.00 O ATOM 464 CB LYS A 29 8.763 -5.451 9.020 1.00 0.00 C ATOM 465 CG LYS A 29 8.937 -6.962 9.234 1.00 0.00 C ATOM 466 CD LYS A 29 10.225 -7.456 8.584 1.00 0.00 C ATOM 467 CE LYS A 29 10.059 -8.939 8.250 1.00 0.00 C ATOM 468 NZ LYS A 29 11.221 -9.510 7.548 1.00 0.00 N ATOM 0 H LYS A 29 7.949 -4.318 6.583 1.00 0.00 H new ATOM 0 HA LYS A 29 6.672 -5.884 8.740 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.545 -5.084 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.884 -4.931 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.955 -7.183 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.084 -7.494 8.812 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.437 -6.885 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.070 -7.311 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.890 -9.496 9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.170 -9.068 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.047 -10.516 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.370 -9.002 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.068 -9.416 8.145 1.00 0.00 H new ATOM 482 N ASN A 30 6.741 -2.757 8.133 1.00 0.00 N ATOM 483 CA ASN A 30 6.355 -1.430 8.569 1.00 0.00 C ATOM 484 C ASN A 30 5.517 -0.842 7.460 1.00 0.00 C ATOM 485 O ASN A 30 5.993 -0.683 6.338 1.00 0.00 O ATOM 486 CB ASN A 30 7.592 -0.574 8.875 1.00 0.00 C ATOM 487 CG ASN A 30 7.788 -0.475 10.370 1.00 0.00 C ATOM 488 OD1 ASN A 30 8.660 -1.111 10.944 1.00 0.00 O ATOM 489 ND2 ASN A 30 6.954 0.292 11.037 1.00 0.00 N ATOM 0 H ASN A 30 6.931 -2.815 7.133 1.00 0.00 H new ATOM 0 HA ASN A 30 5.782 -1.465 9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.475 -1.015 8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.472 0.422 8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.028 0.364 12.052 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.233 0.815 10.540 1.00 0.00 H new ATOM 496 N TYR A 31 4.241 -0.632 7.740 1.00 0.00 N ATOM 497 CA TYR A 31 3.280 -0.068 6.823 1.00 0.00 C ATOM 498 C TYR A 31 2.195 0.596 7.640 1.00 0.00 C ATOM 499 O TYR A 31 1.939 0.241 8.795 1.00 0.00 O ATOM 500 CB TYR A 31 2.753 -1.135 5.866 1.00 0.00 C ATOM 501 CG TYR A 31 1.830 -2.135 6.524 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.331 -3.216 7.268 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.451 -1.878 6.517 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.478 -3.961 8.096 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.408 -2.610 7.341 1.00 0.00 C ATOM 506 CZ TYR A 31 0.113 -3.617 8.188 1.00 0.00 C ATOM 507 OH TYR A 31 -0.687 -4.232 9.100 1.00 0.00 O ATOM 0 H TYR A 31 3.837 -0.860 8.648 1.00 0.00 H new ATOM 0 HA TYR A 31 3.741 0.687 6.186 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.223 -0.647 5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.597 -1.666 5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.377 -3.475 7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.051 -1.110 5.871 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.865 -4.796 8.661 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.469 -2.407 7.331 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.597 -3.876 9.030 1.00 0.00 H new ATOM 517 N GLU A 32 1.577 1.578 7.011 1.00 0.00 N ATOM 518 CA GLU A 32 0.619 2.498 7.605 1.00 0.00 C ATOM 519 C GLU A 32 -0.400 2.827 6.530 1.00 0.00 C ATOM 520 O GLU A 32 -0.037 3.398 5.502 1.00 0.00 O ATOM 521 CB GLU A 32 1.338 3.765 8.095 1.00 0.00 C ATOM 522 CG GLU A 32 2.112 3.478 9.387 1.00 0.00 C ATOM 523 CD GLU A 32 2.874 4.715 9.884 1.00 0.00 C ATOM 524 OE1 GLU A 32 2.230 5.632 10.449 1.00 0.00 O ATOM 525 OE2 GLU A 32 4.106 4.796 9.673 1.00 0.00 O ATOM 0 H GLU A 32 1.736 1.767 6.021 1.00 0.00 H new ATOM 0 HA GLU A 32 0.126 2.055 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.023 4.122 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.611 4.559 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.419 3.144 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.815 2.663 9.216 1.00 0.00 H new ATOM 532 N VAL A 33 -1.639 2.376 6.667 1.00 0.00 N ATOM 533 CA VAL A 33 -2.722 2.625 5.725 1.00 0.00 C ATOM 534 C VAL A 33 -3.869 3.353 6.420 1.00 0.00 C ATOM 535 O VAL A 33 -4.322 2.943 7.486 1.00 0.00 O ATOM 536 CB VAL A 33 -3.120 1.334 4.982 1.00 0.00 C ATOM 537 CG1 VAL A 33 -3.231 0.084 5.848 1.00 0.00 C ATOM 538 CG2 VAL A 33 -4.185 1.663 3.929 1.00 0.00 C ATOM 0 H VAL A 33 -1.928 1.808 7.463 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.384 3.299 4.938 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.288 0.955 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.516 -0.765 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.270 -0.118 6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.987 0.240 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.469 0.752 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.062 2.087 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.783 2.384 3.217 1.00 0.00 H new ATOM 548 N SER A 34 -4.362 4.407 5.771 1.00 0.00 N ATOM 549 CA SER A 34 -5.417 5.273 6.247 1.00 0.00 C ATOM 550 C SER A 34 -6.435 5.374 5.136 1.00 0.00 C ATOM 551 O SER A 34 -6.256 6.107 4.158 1.00 0.00 O ATOM 552 CB SER A 34 -4.808 6.623 6.607 1.00 0.00 C ATOM 553 OG SER A 34 -5.688 7.448 7.346 1.00 0.00 O ATOM 0 H SER A 34 -4.013 4.686 4.854 1.00 0.00 H new ATOM 0 HA SER A 34 -5.909 4.891 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.898 6.462 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.517 7.139 5.692 1.00 0.00 H new ATOM 0 HG SER A 34 -5.245 8.298 7.550 1.00 0.00 H new ATOM 559 N VAL A 35 -7.490 4.576 5.256 1.00 0.00 N ATOM 560 CA VAL A 35 -8.686 4.693 4.442 1.00 0.00 C ATOM 561 C VAL A 35 -9.232 6.123 4.370 1.00 0.00 C ATOM 562 O VAL A 35 -9.570 6.584 3.280 1.00 0.00 O ATOM 563 CB VAL A 35 -9.680 3.583 4.846 1.00 0.00 C ATOM 564 CG1 VAL A 35 -9.794 3.352 6.362 1.00 0.00 C ATOM 565 CG2 VAL A 35 -11.080 3.876 4.288 1.00 0.00 C ATOM 0 H VAL A 35 -7.535 3.817 5.936 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.448 4.512 3.394 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.269 2.671 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.513 2.556 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.821 3.067 6.761 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.129 4.269 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.764 3.081 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.437 4.828 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.035 3.928 3.200 1.00 0.00 H new ATOM 575 N GLU A 36 -9.236 6.858 5.482 1.00 0.00 N ATOM 576 CA GLU A 36 -9.764 8.218 5.542 1.00 0.00 C ATOM 577 C GLU A 36 -9.063 9.135 4.536 1.00 0.00 C ATOM 578 O GLU A 36 -9.695 10.048 4.001 1.00 0.00 O ATOM 579 CB GLU A 36 -9.593 8.762 6.964 1.00 0.00 C ATOM 580 CG GLU A 36 -10.424 7.978 7.992 1.00 0.00 C ATOM 581 CD GLU A 36 -9.954 8.240 9.420 1.00 0.00 C ATOM 582 OE1 GLU A 36 -8.743 8.071 9.693 1.00 0.00 O ATOM 583 OE2 GLU A 36 -10.784 8.537 10.301 1.00 0.00 O ATOM 0 H GLU A 36 -8.870 6.522 6.373 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.822 8.192 5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.540 8.719 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.887 9.811 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.474 8.256 7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.356 6.912 7.777 1.00 0.00 H new ATOM 590 N GLU A 37 -7.797 8.847 4.227 1.00 0.00 N ATOM 591 CA GLU A 37 -6.955 9.625 3.337 1.00 0.00 C ATOM 592 C GLU A 37 -6.568 8.873 2.059 1.00 0.00 C ATOM 593 O GLU A 37 -5.826 9.426 1.249 1.00 0.00 O ATOM 594 CB GLU A 37 -5.720 10.100 4.126 1.00 0.00 C ATOM 595 CG GLU A 37 -5.895 11.548 4.590 1.00 0.00 C ATOM 596 CD GLU A 37 -5.672 12.544 3.444 1.00 0.00 C ATOM 597 OE1 GLU A 37 -6.602 12.769 2.635 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.550 13.093 3.349 1.00 0.00 O ATOM 0 H GLU A 37 -7.318 8.031 4.609 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.524 10.487 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.564 9.453 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.830 10.019 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.897 11.681 4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.193 11.759 5.397 1.00 0.00 H new ATOM 605 N LYS A 38 -7.077 7.653 1.834 1.00 0.00 N ATOM 606 CA LYS A 38 -6.751 6.819 0.667 1.00 0.00 C ATOM 607 C LYS A 38 -5.233 6.659 0.444 1.00 0.00 C ATOM 608 O LYS A 38 -4.771 6.498 -0.687 1.00 0.00 O ATOM 609 CB LYS A 38 -7.509 7.358 -0.559 1.00 0.00 C ATOM 610 CG LYS A 38 -8.996 6.967 -0.511 1.00 0.00 C ATOM 611 CD LYS A 38 -9.864 7.775 -1.481 1.00 0.00 C ATOM 612 CE LYS A 38 -10.066 9.202 -0.967 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.780 10.030 -1.952 1.00 0.00 N ATOM 0 H LYS A 38 -7.740 7.209 2.470 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.089 5.799 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.417 8.443 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.057 6.967 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.094 5.907 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.369 7.107 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.393 7.801 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.831 7.287 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.628 9.178 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.098 9.651 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.902 10.991 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.231 10.071 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.713 9.613 -2.145 1.00 0.00 H new ATOM 627 N LYS A 39 -4.439 6.667 1.519 1.00 0.00 N ATOM 628 CA LYS A 39 -2.985 6.569 1.453 1.00 0.00 C ATOM 629 C LYS A 39 -2.480 5.345 2.200 1.00 0.00 C ATOM 630 O LYS A 39 -2.794 5.146 3.379 1.00 0.00 O ATOM 631 CB LYS A 39 -2.365 7.865 1.986 1.00 0.00 C ATOM 632 CG LYS A 39 -2.324 8.930 0.872 1.00 0.00 C ATOM 633 CD LYS A 39 -1.609 10.221 1.282 1.00 0.00 C ATOM 634 CE LYS A 39 -2.229 10.849 2.533 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.525 12.086 2.911 1.00 0.00 N ATOM 0 H LYS A 39 -4.797 6.743 2.471 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.680 6.442 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.946 8.234 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.357 7.671 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.825 8.510 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.344 9.169 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.556 10.009 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.651 10.935 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.281 11.067 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.189 10.138 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.220 12.825 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.926 11.905 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.931 12.403 2.119 1.00 0.00 H new ATOM 649 N VAL A 40 -1.636 4.570 1.529 1.00 0.00 N ATOM 650 CA VAL A 40 -0.783 3.516 2.070 1.00 0.00 C ATOM 651 C VAL A 40 0.605 4.140 2.179 1.00 0.00 C ATOM 652 O VAL A 40 0.995 4.912 1.316 1.00 0.00 O ATOM 653 CB VAL A 40 -0.808 2.320 1.083 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.244 1.203 1.230 1.00 0.00 C ATOM 655 CG2 VAL A 40 -2.163 1.629 1.167 1.00 0.00 C ATOM 0 H VAL A 40 -1.521 4.668 0.520 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.104 3.142 3.042 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.578 2.810 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.082 0.447 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.242 1.626 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.153 0.744 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.186 0.787 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.325 1.268 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.949 2.337 0.904 1.00 0.00 H new ATOM 665 N VAL A 41 1.381 3.767 3.182 1.00 0.00 N ATOM 666 CA VAL A 41 2.826 3.845 3.162 1.00 0.00 C ATOM 667 C VAL A 41 3.283 2.404 3.322 1.00 0.00 C ATOM 668 O VAL A 41 2.734 1.686 4.167 1.00 0.00 O ATOM 669 CB VAL A 41 3.377 4.744 4.290 1.00 0.00 C ATOM 670 CG1 VAL A 41 4.899 4.911 4.143 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.749 6.142 4.313 1.00 0.00 C ATOM 0 H VAL A 41 1.010 3.392 4.055 1.00 0.00 H new ATOM 0 HA VAL A 41 3.195 4.299 2.242 1.00 0.00 H new ATOM 0 HB VAL A 41 3.121 4.240 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.274 5.547 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.379 3.934 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.123 5.370 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.181 6.721 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.947 6.645 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.672 6.055 4.460 1.00 0.00 H new ATOM 681 N VAL A 42 4.245 1.957 2.521 1.00 0.00 N ATOM 682 CA VAL A 42 5.073 0.818 2.908 1.00 0.00 C ATOM 683 C VAL A 42 6.480 1.302 3.216 1.00 0.00 C ATOM 684 O VAL A 42 6.948 2.270 2.619 1.00 0.00 O ATOM 685 CB VAL A 42 5.096 -0.250 1.806 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.690 -0.833 1.623 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.637 0.283 0.469 1.00 0.00 C ATOM 0 H VAL A 42 4.470 2.359 1.611 1.00 0.00 H new ATOM 0 HA VAL A 42 4.646 0.358 3.799 1.00 0.00 H new ATOM 0 HB VAL A 42 5.783 -1.034 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.709 -1.591 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.359 -1.285 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.000 -0.038 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.629 -0.517 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.008 1.104 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.657 0.641 0.606 1.00 0.00 H new ATOM 697 N GLU A 43 7.162 0.578 4.094 1.00 0.00 N ATOM 698 CA GLU A 43 8.574 0.693 4.381 1.00 0.00 C ATOM 699 C GLU A 43 9.190 -0.662 4.022 1.00 0.00 C ATOM 700 O GLU A 43 8.888 -1.662 4.678 1.00 0.00 O ATOM 701 CB GLU A 43 8.737 1.083 5.857 1.00 0.00 C ATOM 702 CG GLU A 43 10.148 1.545 6.224 1.00 0.00 C ATOM 703 CD GLU A 43 10.125 2.314 7.544 1.00 0.00 C ATOM 704 OE1 GLU A 43 9.910 3.541 7.527 1.00 0.00 O ATOM 705 OE2 GLU A 43 10.313 1.706 8.627 1.00 0.00 O ATOM 0 H GLU A 43 6.712 -0.146 4.654 1.00 0.00 H new ATOM 0 HA GLU A 43 9.084 1.466 3.806 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.032 1.880 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.472 0.229 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.810 0.683 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.548 2.179 5.433 1.00 0.00 H new ATOM 712 N THR A 44 9.959 -0.747 2.935 1.00 0.00 N ATOM 713 CA THR A 44 10.704 -1.945 2.569 1.00 0.00 C ATOM 714 C THR A 44 12.015 -1.547 1.870 1.00 0.00 C ATOM 715 O THR A 44 12.250 -0.379 1.544 1.00 0.00 O ATOM 716 CB THR A 44 9.791 -2.870 1.726 1.00 0.00 C ATOM 717 OG1 THR A 44 10.464 -4.044 1.306 1.00 0.00 O ATOM 718 CG2 THR A 44 9.242 -2.179 0.473 1.00 0.00 C ATOM 0 H THR A 44 10.081 0.025 2.279 1.00 0.00 H new ATOM 0 HA THR A 44 10.997 -2.515 3.451 1.00 0.00 H new ATOM 0 HB THR A 44 8.966 -3.126 2.391 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.853 -4.600 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.609 -2.875 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.655 -1.308 0.765 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.071 -1.862 -0.160 1.00 0.00 H new ATOM 726 N GLU A 45 12.859 -2.544 1.603 1.00 0.00 N ATOM 727 CA GLU A 45 13.971 -2.467 0.665 1.00 0.00 C ATOM 728 C GLU A 45 13.486 -2.678 -0.783 1.00 0.00 C ATOM 729 O GLU A 45 14.203 -2.333 -1.719 1.00 0.00 O ATOM 730 CB GLU A 45 14.984 -3.575 1.020 1.00 0.00 C ATOM 731 CG GLU A 45 16.454 -3.172 0.808 1.00 0.00 C ATOM 732 CD GLU A 45 17.032 -2.323 1.949 1.00 0.00 C ATOM 733 OE1 GLU A 45 16.627 -2.500 3.127 1.00 0.00 O ATOM 734 OE2 GLU A 45 17.941 -1.495 1.720 1.00 0.00 O ATOM 0 H GLU A 45 12.782 -3.457 2.051 1.00 0.00 H new ATOM 0 HA GLU A 45 14.429 -1.480 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.843 -3.861 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.769 -4.456 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.056 -4.074 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.538 -2.616 -0.126 1.00 0.00 H new ATOM 741 N ASN A 46 12.306 -3.286 -0.994 1.00 0.00 N ATOM 742 CA ASN A 46 11.943 -3.912 -2.274 1.00 0.00 C ATOM 743 C ASN A 46 10.618 -3.397 -2.817 1.00 0.00 C ATOM 744 O ASN A 46 9.686 -4.148 -3.123 1.00 0.00 O ATOM 745 CB ASN A 46 11.998 -5.449 -2.165 1.00 0.00 C ATOM 746 CG ASN A 46 12.796 -6.029 -3.312 1.00 0.00 C ATOM 747 OD1 ASN A 46 13.854 -6.608 -3.093 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.321 -5.892 -4.537 1.00 0.00 N ATOM 0 H ASN A 46 11.579 -3.356 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 46 12.687 -3.617 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.450 -5.737 -1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.987 -5.857 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.837 -6.273 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.438 -5.405 -4.690 1.00 0.00 H new ATOM 755 N LEU A 47 10.546 -2.077 -2.943 1.00 0.00 N ATOM 756 CA LEU A 47 9.357 -1.336 -3.321 1.00 0.00 C ATOM 757 C LEU A 47 8.734 -1.816 -4.625 1.00 0.00 C ATOM 758 O LEU A 47 7.515 -1.935 -4.710 1.00 0.00 O ATOM 759 CB LEU A 47 9.746 0.129 -3.487 1.00 0.00 C ATOM 760 CG LEU A 47 8.510 1.016 -3.754 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.619 0.985 -2.502 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.986 2.408 -4.169 1.00 0.00 C ATOM 0 H LEU A 47 11.350 -1.472 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 47 8.616 -1.486 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.256 0.475 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.451 0.228 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 47 7.897 0.652 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.738 1.605 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.308 -0.040 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.178 1.368 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.123 3.045 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.586 2.841 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.589 2.332 -5.074 1.00 0.00 H new ATOM 774 N ASP A 48 9.544 -2.092 -5.644 1.00 0.00 N ATOM 775 CA ASP A 48 9.018 -2.433 -6.965 1.00 0.00 C ATOM 776 C ASP A 48 8.321 -3.802 -6.935 1.00 0.00 C ATOM 777 O ASP A 48 7.500 -4.106 -7.793 1.00 0.00 O ATOM 778 CB ASP A 48 10.144 -2.363 -8.012 1.00 0.00 C ATOM 779 CG ASP A 48 9.693 -1.692 -9.311 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.764 -2.192 -9.981 1.00 0.00 O ATOM 781 OD2 ASP A 48 10.280 -0.632 -9.643 1.00 0.00 O ATOM 0 H ASP A 48 10.562 -2.087 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 48 8.260 -1.705 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.989 -1.813 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.496 -3.371 -8.230 1.00 0.00 H new ATOM 786 N SER A 49 8.589 -4.630 -5.916 1.00 0.00 N ATOM 787 CA SER A 49 7.801 -5.824 -5.640 1.00 0.00 C ATOM 788 C SER A 49 6.405 -5.400 -5.166 1.00 0.00 C ATOM 789 O SER A 49 5.399 -5.883 -5.686 1.00 0.00 O ATOM 790 CB SER A 49 8.514 -6.723 -4.621 1.00 0.00 C ATOM 791 OG SER A 49 8.079 -8.057 -4.782 1.00 0.00 O ATOM 0 H SER A 49 9.360 -4.485 -5.264 1.00 0.00 H new ATOM 0 HA SER A 49 7.690 -6.416 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.593 -6.662 -4.760 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.303 -6.380 -3.608 1.00 0.00 H new ATOM 0 HG SER A 49 8.536 -8.631 -4.132 1.00 0.00 H new ATOM 797 N VAL A 50 6.333 -4.464 -4.208 1.00 0.00 N ATOM 798 CA VAL A 50 5.090 -3.960 -3.632 1.00 0.00 C ATOM 799 C VAL A 50 4.171 -3.422 -4.732 1.00 0.00 C ATOM 800 O VAL A 50 2.994 -3.765 -4.761 1.00 0.00 O ATOM 801 CB VAL A 50 5.344 -2.852 -2.576 1.00 0.00 C ATOM 802 CG1 VAL A 50 4.003 -2.499 -1.917 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.409 -3.135 -1.498 1.00 0.00 C ATOM 0 H VAL A 50 7.163 -4.029 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 50 4.607 -4.798 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 50 5.775 -2.021 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.158 -1.721 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.308 -2.140 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.589 -3.386 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.484 -2.279 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.124 -4.019 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.374 -3.307 -1.976 1.00 0.00 H new ATOM 813 N LEU A 51 4.670 -2.545 -5.598 1.00 0.00 N ATOM 814 CA LEU A 51 3.847 -1.826 -6.572 1.00 0.00 C ATOM 815 C LEU A 51 3.123 -2.807 -7.499 1.00 0.00 C ATOM 816 O LEU A 51 1.901 -2.736 -7.648 1.00 0.00 O ATOM 817 CB LEU A 51 4.756 -0.864 -7.348 1.00 0.00 C ATOM 818 CG LEU A 51 5.131 0.361 -6.496 1.00 0.00 C ATOM 819 CD1 LEU A 51 6.400 1.045 -7.009 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.965 1.356 -6.472 1.00 0.00 C ATOM 0 H LEU A 51 5.661 -2.310 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 51 3.071 -1.252 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.662 -1.386 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.251 -0.537 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 51 5.334 0.013 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.630 1.905 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.231 0.340 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.245 1.378 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.237 2.221 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.742 1.680 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.086 0.876 -6.043 1.00 0.00 H new ATOM 832 N LYS A 52 3.871 -3.768 -8.036 1.00 0.00 N ATOM 833 CA LYS A 52 3.386 -4.876 -8.850 1.00 0.00 C ATOM 834 C LYS A 52 2.394 -5.738 -8.082 1.00 0.00 C ATOM 835 O LYS A 52 1.275 -5.943 -8.537 1.00 0.00 O ATOM 836 CB LYS A 52 4.617 -5.649 -9.368 1.00 0.00 C ATOM 837 CG LYS A 52 4.994 -5.090 -10.753 1.00 0.00 C ATOM 838 CD LYS A 52 6.496 -5.038 -11.026 1.00 0.00 C ATOM 839 CE LYS A 52 6.705 -4.153 -12.259 1.00 0.00 C ATOM 840 NZ LYS A 52 8.053 -3.558 -12.291 1.00 0.00 N ATOM 0 H LYS A 52 4.883 -3.795 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 52 2.821 -4.513 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.452 -5.541 -8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.395 -6.714 -9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.519 -5.702 -11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.585 -4.084 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.029 -4.631 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.890 -6.039 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.549 -4.745 -13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.958 -3.359 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.163 -2.995 -13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.182 -2.945 -11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.767 -4.314 -12.277 1.00 0.00 H new ATOM 854 N LYS A 53 2.745 -6.171 -6.869 1.00 0.00 N ATOM 855 CA LYS A 53 1.878 -6.876 -5.946 1.00 0.00 C ATOM 856 C LYS A 53 0.545 -6.138 -5.817 1.00 0.00 C ATOM 857 O LYS A 53 -0.503 -6.776 -5.791 1.00 0.00 O ATOM 858 CB LYS A 53 2.716 -7.077 -4.680 1.00 0.00 C ATOM 859 CG LYS A 53 1.992 -7.736 -3.520 1.00 0.00 C ATOM 860 CD LYS A 53 1.084 -6.680 -2.905 1.00 0.00 C ATOM 861 CE LYS A 53 1.029 -6.898 -1.410 1.00 0.00 C ATOM 862 NZ LYS A 53 0.239 -5.841 -0.742 1.00 0.00 N ATOM 0 H LYS A 53 3.683 -6.030 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 53 1.555 -7.865 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.587 -7.681 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.086 -6.106 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.411 -8.591 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.703 -8.109 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.461 -5.682 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.084 -6.746 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.589 -7.873 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.041 -6.910 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.162 -6.054 0.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.711 -4.923 -0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.712 -5.802 -1.160 1.00 0.00 H new ATOM 876 N LEU A 54 0.555 -4.812 -5.679 1.00 0.00 N ATOM 877 CA LEU A 54 -0.659 -4.047 -5.482 1.00 0.00 C ATOM 878 C LEU A 54 -1.521 -3.997 -6.738 1.00 0.00 C ATOM 879 O LEU A 54 -2.735 -4.143 -6.623 1.00 0.00 O ATOM 880 CB LEU A 54 -0.298 -2.689 -4.857 1.00 0.00 C ATOM 881 CG LEU A 54 -0.397 -2.846 -3.315 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.874 -2.596 -2.543 1.00 0.00 C ATOM 883 CD2 LEU A 54 -1.532 -2.008 -2.752 1.00 0.00 C ATOM 0 H LEU A 54 1.404 -4.248 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.313 -4.547 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.708 -2.388 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.977 -1.912 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.604 -3.907 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.686 -2.734 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.642 -3.297 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.214 -1.576 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.578 -2.137 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.359 -0.957 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.475 -2.327 -3.196 1.00 0.00 H new ATOM 895 N GLU A 55 -0.923 -3.896 -7.921 1.00 0.00 N ATOM 896 CA GLU A 55 -1.606 -4.065 -9.194 1.00 0.00 C ATOM 897 C GLU A 55 -2.286 -5.440 -9.244 1.00 0.00 C ATOM 898 O GLU A 55 -3.481 -5.528 -9.535 1.00 0.00 O ATOM 899 CB GLU A 55 -0.571 -3.873 -10.317 1.00 0.00 C ATOM 900 CG GLU A 55 -0.918 -2.669 -11.189 1.00 0.00 C ATOM 901 CD GLU A 55 0.245 -2.335 -12.122 1.00 0.00 C ATOM 902 OE1 GLU A 55 0.421 -3.014 -13.160 1.00 0.00 O ATOM 903 OE2 GLU A 55 1.011 -1.408 -11.788 1.00 0.00 O ATOM 0 H GLU A 55 0.071 -3.690 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.396 -3.325 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.419 -3.737 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.528 -4.771 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.813 -2.881 -11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.146 -1.809 -10.559 1.00 0.00 H new ATOM 910 N GLU A 56 -1.561 -6.503 -8.887 1.00 0.00 N ATOM 911 CA GLU A 56 -2.046 -7.878 -8.952 1.00 0.00 C ATOM 912 C GLU A 56 -3.212 -8.142 -7.994 1.00 0.00 C ATOM 913 O GLU A 56 -4.041 -9.002 -8.307 1.00 0.00 O ATOM 914 CB GLU A 56 -0.946 -8.880 -8.592 1.00 0.00 C ATOM 915 CG GLU A 56 0.208 -9.008 -9.586 1.00 0.00 C ATOM 916 CD GLU A 56 1.327 -9.874 -8.988 1.00 0.00 C ATOM 917 OE1 GLU A 56 1.014 -10.889 -8.315 1.00 0.00 O ATOM 918 OE2 GLU A 56 2.518 -9.500 -9.121 1.00 0.00 O ATOM 0 H GLU A 56 -0.605 -6.428 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.376 -8.009 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.533 -8.600 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.404 -9.862 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.150 -9.453 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.596 -8.020 -9.834 1.00 0.00 H new ATOM 925 N ILE A 57 -3.308 -7.448 -6.849 1.00 0.00 N ATOM 926 CA ILE A 57 -4.468 -7.613 -5.967 1.00 0.00 C ATOM 927 C ILE A 57 -5.696 -6.848 -6.476 1.00 0.00 C ATOM 928 O ILE A 57 -6.700 -6.835 -5.763 1.00 0.00 O ATOM 929 CB ILE A 57 -4.180 -7.326 -4.472 1.00 0.00 C ATOM 930 CG1 ILE A 57 -3.896 -5.849 -4.150 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.079 -8.249 -3.930 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.321 -5.401 -2.742 1.00 0.00 C ATOM 0 H ILE A 57 -2.610 -6.781 -6.519 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.703 -8.676 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.109 -7.552 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.828 -5.665 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.409 -5.227 -4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.900 -8.023 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.394 -9.288 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.161 -8.092 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.081 -4.346 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.395 -5.547 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.789 -5.992 -1.996 1.00 0.00 H new ATOM 944 N ASP A 58 -5.634 -6.241 -7.669 1.00 0.00 N ATOM 945 CA ASP A 58 -6.654 -5.400 -8.304 1.00 0.00 C ATOM 946 C ASP A 58 -6.709 -4.005 -7.676 1.00 0.00 C ATOM 947 O ASP A 58 -7.758 -3.360 -7.699 1.00 0.00 O ATOM 948 CB ASP A 58 -8.037 -6.068 -8.242 1.00 0.00 C ATOM 949 CG ASP A 58 -8.993 -5.626 -9.347 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.605 -5.562 -10.536 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.195 -5.431 -9.047 1.00 0.00 O ATOM 0 H ASP A 58 -4.807 -6.333 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.370 -5.285 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.909 -7.149 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.491 -5.850 -7.275 1.00 0.00 H new ATOM 956 N TYR A 59 -5.612 -3.542 -7.058 1.00 0.00 N ATOM 957 CA TYR A 59 -5.536 -2.228 -6.428 1.00 0.00 C ATOM 958 C TYR A 59 -4.402 -1.411 -7.072 1.00 0.00 C ATOM 959 O TYR A 59 -3.311 -1.330 -6.497 1.00 0.00 O ATOM 960 CB TYR A 59 -5.305 -2.327 -4.909 1.00 0.00 C ATOM 961 CG TYR A 59 -6.497 -2.671 -4.040 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.198 -3.879 -4.194 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.859 -1.794 -3.004 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.319 -4.162 -3.392 1.00 0.00 C ATOM 965 CE2 TYR A 59 -7.919 -2.117 -2.148 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.718 -3.238 -2.401 1.00 0.00 C ATOM 967 OH TYR A 59 -9.821 -3.399 -1.629 1.00 0.00 O ATOM 0 H TYR A 59 -4.748 -4.079 -6.984 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.493 -1.731 -6.584 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.534 -3.078 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.904 -1.373 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.874 -4.596 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.319 -0.869 -2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.871 -5.080 -3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.121 -1.497 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.432 -2.646 -1.770 1.00 0.00 H new ATOM 977 N PRO A 60 -4.603 -0.781 -8.236 1.00 0.00 N ATOM 978 CA PRO A 60 -3.596 0.088 -8.823 1.00 0.00 C ATOM 979 C PRO A 60 -3.386 1.313 -7.923 1.00 0.00 C ATOM 980 O PRO A 60 -4.346 1.991 -7.544 1.00 0.00 O ATOM 981 CB PRO A 60 -4.112 0.433 -10.220 1.00 0.00 C ATOM 982 CG PRO A 60 -5.627 0.243 -10.128 1.00 0.00 C ATOM 983 CD PRO A 60 -5.808 -0.820 -9.045 1.00 0.00 C ATOM 0 HA PRO A 60 -2.615 -0.380 -8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.857 1.456 -10.496 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.676 -0.219 -10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.129 1.173 -9.861 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.046 -0.083 -11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.690 -0.613 -8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.949 -1.806 -9.487 1.00 0.00 H new ATOM 991 N VAL A 61 -2.134 1.572 -7.526 1.00 0.00 N ATOM 992 CA VAL A 61 -1.738 2.865 -6.966 1.00 0.00 C ATOM 993 C VAL A 61 -1.908 3.916 -8.085 1.00 0.00 C ATOM 994 O VAL A 61 -1.586 3.635 -9.240 1.00 0.00 O ATOM 995 CB VAL A 61 -0.294 2.771 -6.385 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.711 2.139 -7.335 1.00 0.00 C ATOM 997 CG2 VAL A 61 0.236 4.124 -5.904 1.00 0.00 C ATOM 0 H VAL A 61 -1.373 0.895 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.362 3.166 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.396 2.107 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.692 2.109 -6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.394 1.125 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.769 2.730 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.245 4.000 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.256 4.824 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.415 4.512 -5.121 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.376 5.127 -7.771 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.315 6.257 -8.694 1.00 0.00 C ATOM 1009 C GLU A 62 -0.837 6.650 -8.835 1.00 0.00 C ATOM 1010 O GLU A 62 -0.239 6.463 -9.897 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.208 7.430 -8.223 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.328 8.502 -9.329 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.432 9.566 -9.156 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.538 9.316 -8.622 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.229 10.710 -9.636 1.00 0.00 O ATOM 0 H GLU A 62 -2.806 5.348 -6.873 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.712 5.980 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.198 7.058 -7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.787 7.875 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.370 9.017 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.494 7.992 -10.278 1.00 0.00 H new ATOM 1022 N SER A 63 -0.227 7.137 -7.749 1.00 0.00 N ATOM 1023 CA SER A 63 1.178 7.533 -7.697 1.00 0.00 C ATOM 1024 C SER A 63 1.769 7.267 -6.309 1.00 0.00 C ATOM 1025 O SER A 63 1.044 7.168 -5.311 1.00 0.00 O ATOM 1026 CB SER A 63 1.342 9.011 -8.097 1.00 0.00 C ATOM 1027 OG SER A 63 0.124 9.750 -8.078 1.00 0.00 O ATOM 0 H SER A 63 -0.712 7.269 -6.861 1.00 0.00 H new ATOM 0 HA SER A 63 1.730 6.927 -8.415 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.054 9.484 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.771 9.062 -9.098 1.00 0.00 H new ATOM 0 HG SER A 63 0.300 10.678 -8.340 1.00 0.00 H new ATOM 1033 N TYR A 64 3.094 7.167 -6.236 1.00 0.00 N ATOM 1034 CA TYR A 64 3.855 6.981 -5.008 1.00 0.00 C ATOM 1035 C TYR A 64 4.982 8.014 -4.952 1.00 0.00 C ATOM 1036 O TYR A 64 5.315 8.615 -5.971 1.00 0.00 O ATOM 1037 CB TYR A 64 4.383 5.548 -4.901 1.00 0.00 C ATOM 1038 CG TYR A 64 5.351 5.138 -5.996 1.00 0.00 C ATOM 1039 CD1 TYR A 64 4.854 4.610 -7.201 1.00 0.00 C ATOM 1040 CD2 TYR A 64 6.743 5.265 -5.808 1.00 0.00 C ATOM 1041 CE1 TYR A 64 5.736 4.206 -8.215 1.00 0.00 C ATOM 1042 CE2 TYR A 64 7.634 4.862 -6.821 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.130 4.332 -8.032 1.00 0.00 C ATOM 1044 OH TYR A 64 7.956 3.931 -9.035 1.00 0.00 O ATOM 0 H TYR A 64 3.688 7.215 -7.064 1.00 0.00 H new ATOM 0 HA TYR A 64 3.203 7.136 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.877 5.430 -3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.535 4.863 -4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.788 4.515 -7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.127 5.673 -4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.348 3.798 -9.137 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.700 4.957 -6.674 1.00 0.00 H new ATOM 0 HH TYR A 64 8.888 4.078 -8.770 1.00 0.00 H new ATOM 1054 N GLN A 65 5.588 8.214 -3.780 1.00 0.00 N ATOM 1055 CA GLN A 65 6.786 9.010 -3.585 1.00 0.00 C ATOM 1056 C GLN A 65 7.404 8.561 -2.267 1.00 0.00 C ATOM 1057 O GLN A 65 6.695 8.099 -1.373 1.00 0.00 O ATOM 1058 CB GLN A 65 6.450 10.512 -3.552 1.00 0.00 C ATOM 1059 CG GLN A 65 5.504 10.945 -2.426 1.00 0.00 C ATOM 1060 CD GLN A 65 4.701 12.183 -2.799 1.00 0.00 C ATOM 1061 OE1 GLN A 65 3.755 12.092 -3.570 1.00 0.00 O ATOM 1062 NE2 GLN A 65 5.044 13.363 -2.307 1.00 0.00 N ATOM 0 H GLN A 65 5.239 7.807 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 65 7.485 8.865 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.379 11.074 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.003 10.789 -4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.822 10.128 -2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.082 11.146 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.833 13.438 -1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.520 14.197 -2.570 1.00 0.00 H new ATOM 1071 N GLU A 66 8.717 8.674 -2.149 1.00 0.00 N ATOM 1072 CA GLU A 66 9.468 8.454 -0.934 1.00 0.00 C ATOM 1073 C GLU A 66 9.065 9.456 0.150 1.00 0.00 C ATOM 1074 O GLU A 66 8.787 10.617 -0.167 1.00 0.00 O ATOM 1075 CB GLU A 66 10.950 8.581 -1.302 1.00 0.00 C ATOM 1076 CG GLU A 66 11.739 7.750 -0.306 1.00 0.00 C ATOM 1077 CD GLU A 66 13.247 7.729 -0.530 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.705 8.164 -1.621 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.927 7.232 0.393 1.00 0.00 O ATOM 0 H GLU A 66 9.311 8.934 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 66 9.264 7.466 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.124 8.229 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.266 9.624 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.542 8.129 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.369 6.725 -0.338 1.00 0.00 H new ATOM 1086 N VAL A 67 9.049 9.017 1.415 1.00 0.00 N ATOM 1087 CA VAL A 67 8.872 9.874 2.587 1.00 0.00 C ATOM 1088 C VAL A 67 9.859 9.432 3.672 1.00 0.00 C ATOM 1089 O VAL A 67 9.680 9.810 4.850 1.00 0.00 O ATOM 1090 CB VAL A 67 7.382 9.972 3.024 1.00 0.00 C ATOM 1091 CG1 VAL A 67 6.433 10.287 1.869 1.00 0.00 C ATOM 1092 CG2 VAL A 67 6.779 8.710 3.639 1.00 0.00 C ATOM 0 H VAL A 67 9.162 8.032 1.654 1.00 0.00 H new ATOM 0 HA VAL A 67 9.117 10.909 2.347 1.00 0.00 H new ATOM 0 HB VAL A 67 7.450 10.769 3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.410 10.341 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.707 11.243 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.503 9.502 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.738 8.896 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.829 7.894 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.339 8.438 4.534 1.00 0.00 H new