USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 Single : A 8 SER OG : rot -122:sc= 1.22 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -90:sc= -0.113 USER MOD Single : A 16 MET CE :methyl 136:sc= -0.136 (180deg=-0.822) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.014 K(o=-0.014,f=-6.4!) USER MOD Single : A 42 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.9!) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0131) USER MOD Single : A 56 GLN : amide:sc=-0.000326 K(o=-0.00033,f=-0.58) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -37:sc= 0.0159 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 145:sc= 0.719 USER MOD Single : A 70 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.26) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 80 LYS NZ :NH3+ -106:sc= -0.211 (180deg=-0.718) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot -27:sc= 0.958 USER MOD ----------------------------------------------------------------- ATOM 28 N ARG A 3 7.625 -3.520 7.842 1.00 0.00 N ATOM 29 CA ARG A 3 7.308 -3.868 6.463 1.00 0.00 C ATOM 30 C ARG A 3 6.312 -2.902 5.894 1.00 0.00 C ATOM 31 O ARG A 3 5.232 -2.741 6.460 1.00 0.00 O ATOM 32 CB ARG A 3 6.768 -5.284 6.311 1.00 0.00 C ATOM 33 CG ARG A 3 7.943 -6.243 6.120 1.00 0.00 C ATOM 34 CD ARG A 3 8.028 -7.345 7.161 1.00 0.00 C ATOM 35 NE ARG A 3 8.188 -6.816 8.524 1.00 0.00 N ATOM 36 CZ ARG A 3 8.002 -7.506 9.649 1.00 0.00 C ATOM 37 NH1 ARG A 3 7.770 -8.815 9.600 1.00 0.00 N ATOM 38 NH2 ARG A 3 8.053 -6.877 10.813 1.00 0.00 N ATOM 0 HA ARG A 3 8.248 -3.813 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.192 -5.565 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.092 -5.340 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.868 -6.698 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.870 -5.670 6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.126 -7.956 7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.868 -7.999 6.927 1.00 0.00 H new ATOM 0 HE ARG A 3 8.465 -5.839 8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.734 -9.293 8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.628 -9.340 10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.233 -5.874 10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.912 -7.396 11.680 1.00 0.00 H new ATOM 52 N VAL A 4 6.664 -2.310 4.762 1.00 0.00 N ATOM 53 CA VAL A 4 5.760 -1.465 4.005 1.00 0.00 C ATOM 54 C VAL A 4 5.151 -2.299 2.890 1.00 0.00 C ATOM 55 O VAL A 4 5.804 -3.220 2.399 1.00 0.00 O ATOM 56 CB VAL A 4 6.526 -0.189 3.584 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.396 -0.320 2.334 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.631 1.052 3.497 1.00 0.00 C ATOM 0 H VAL A 4 7.589 -2.404 4.343 1.00 0.00 H new ATOM 0 HA VAL A 4 4.908 -1.101 4.580 1.00 0.00 H new ATOM 0 HB VAL A 4 7.225 -0.051 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.886 0.632 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.151 -1.090 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.772 -0.596 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.230 1.912 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.845 0.883 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.181 1.245 4.471 1.00 0.00 H new ATOM 68 N ALA A 5 3.931 -1.971 2.461 1.00 0.00 N ATOM 69 CA ALA A 5 3.378 -2.507 1.227 1.00 0.00 C ATOM 70 C ALA A 5 3.171 -1.313 0.308 1.00 0.00 C ATOM 71 O ALA A 5 2.693 -0.263 0.750 1.00 0.00 O ATOM 72 CB ALA A 5 2.077 -3.256 1.500 1.00 0.00 C ATOM 0 H ALA A 5 3.308 -1.333 2.957 1.00 0.00 H new ATOM 0 HA ALA A 5 4.045 -3.234 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.680 -3.649 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.269 -4.080 2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.351 -2.575 1.944 1.00 0.00 H new ATOM 78 N ILE A 6 3.525 -1.445 -0.962 1.00 0.00 N ATOM 79 CA ILE A 6 3.392 -0.386 -1.942 1.00 0.00 C ATOM 80 C ILE A 6 2.523 -0.945 -3.071 1.00 0.00 C ATOM 81 O ILE A 6 2.891 -1.958 -3.666 1.00 0.00 O ATOM 82 CB ILE A 6 4.754 0.136 -2.422 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.732 0.432 -1.267 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.536 1.432 -3.213 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.706 -0.722 -0.999 1.00 0.00 C ATOM 0 H ILE A 6 3.918 -2.306 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 6 2.915 0.492 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 6 5.198 -0.648 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.299 1.333 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.164 0.639 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.497 1.813 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.895 1.231 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.062 2.174 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.369 -0.455 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.144 -1.619 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.298 -0.914 -1.894 1.00 0.00 H new ATOM 97 N PRO A 7 1.350 -0.346 -3.326 1.00 0.00 N ATOM 98 CA PRO A 7 0.411 -0.782 -4.331 1.00 0.00 C ATOM 99 C PRO A 7 1.017 -0.466 -5.696 1.00 0.00 C ATOM 100 O PRO A 7 1.245 0.704 -6.004 1.00 0.00 O ATOM 101 CB PRO A 7 -0.864 0.016 -4.031 1.00 0.00 C ATOM 102 CG PRO A 7 -0.424 1.277 -3.319 1.00 0.00 C ATOM 103 CD PRO A 7 0.904 0.900 -2.742 1.00 0.00 C ATOM 0 HA PRO A 7 0.187 -1.849 -4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.397 0.256 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.547 -0.563 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.340 2.119 -4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.132 1.569 -2.543 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.633 1.686 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.826 0.799 -1.660 1.00 0.00 H new ATOM 111 N SER A 8 1.320 -1.479 -6.496 1.00 0.00 N ATOM 112 CA SER A 8 1.955 -1.358 -7.802 1.00 0.00 C ATOM 113 C SER A 8 0.978 -1.913 -8.841 1.00 0.00 C ATOM 114 O SER A 8 0.177 -2.799 -8.527 1.00 0.00 O ATOM 115 CB SER A 8 3.252 -2.179 -7.770 1.00 0.00 C ATOM 116 OG SER A 8 3.890 -2.185 -9.031 1.00 0.00 O ATOM 0 H SER A 8 1.122 -2.447 -6.243 1.00 0.00 H new ATOM 0 HA SER A 8 2.197 -0.325 -8.053 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.927 -1.766 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.029 -3.202 -7.468 1.00 0.00 H new ATOM 0 HG SER A 8 3.999 -3.109 -9.338 1.00 0.00 H new ATOM 122 N VAL A 9 1.026 -1.438 -10.082 1.00 0.00 N ATOM 123 CA VAL A 9 0.298 -2.025 -11.208 1.00 0.00 C ATOM 124 C VAL A 9 1.318 -2.736 -12.117 1.00 0.00 C ATOM 125 O VAL A 9 1.289 -2.625 -13.344 1.00 0.00 O ATOM 126 CB VAL A 9 -0.564 -0.959 -11.938 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.613 -0.309 -11.031 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.236 0.225 -12.508 1.00 0.00 C ATOM 0 H VAL A 9 1.580 -0.621 -10.340 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.420 -2.768 -10.862 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.015 -1.546 -12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.182 0.426 -11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.289 -1.074 -10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.116 0.185 -10.196 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.444 0.920 -13.000 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.755 0.737 -11.698 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.965 -0.142 -13.230 1.00 0.00 H new ATOM 138 N GLY A 10 2.277 -3.439 -11.520 1.00 0.00 N ATOM 139 CA GLY A 10 3.208 -4.300 -12.223 1.00 0.00 C ATOM 140 C GLY A 10 4.154 -4.959 -11.227 1.00 0.00 C ATOM 141 O GLY A 10 4.117 -4.673 -10.026 1.00 0.00 O ATOM 0 H GLY A 10 2.427 -3.422 -10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.663 -5.062 -12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.777 -3.720 -12.950 1.00 0.00 H new ATOM 145 N LYS A 11 5.021 -5.826 -11.741 1.00 0.00 N ATOM 146 CA LYS A 11 5.866 -6.741 -10.990 1.00 0.00 C ATOM 147 C LYS A 11 7.318 -6.419 -11.311 1.00 0.00 C ATOM 148 O LYS A 11 8.083 -7.234 -11.836 1.00 0.00 O ATOM 149 CB LYS A 11 5.399 -8.195 -11.176 1.00 0.00 C ATOM 150 CG LYS A 11 5.033 -8.594 -12.609 1.00 0.00 C ATOM 151 CD LYS A 11 4.515 -10.039 -12.647 1.00 0.00 C ATOM 152 CE LYS A 11 3.640 -10.343 -13.866 1.00 0.00 C ATOM 153 NZ LYS A 11 4.412 -10.597 -15.096 1.00 0.00 N ATOM 0 H LYS A 11 5.158 -5.912 -12.748 1.00 0.00 H new ATOM 0 HA LYS A 11 5.777 -6.608 -9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.188 -8.859 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.531 -8.364 -10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.272 -7.918 -12.998 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.906 -8.497 -13.254 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.365 -10.721 -12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.942 -10.235 -11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.020 -11.213 -13.650 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.965 -9.504 -14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.759 -10.796 -15.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.985 -9.760 -15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.037 -11.415 -14.951 1.00 0.00 H new ATOM 167 N ASP A 12 7.681 -5.169 -11.046 1.00 0.00 N ATOM 168 CA ASP A 12 9.034 -4.644 -11.076 1.00 0.00 C ATOM 169 C ASP A 12 9.096 -3.556 -10.019 1.00 0.00 C ATOM 170 O ASP A 12 8.105 -2.878 -9.751 1.00 0.00 O ATOM 171 CB ASP A 12 9.378 -4.044 -12.450 1.00 0.00 C ATOM 172 CG ASP A 12 10.103 -5.013 -13.370 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.250 -5.400 -13.060 1.00 0.00 O ATOM 174 OD2 ASP A 12 9.548 -5.393 -14.430 1.00 0.00 O ATOM 0 H ASP A 12 6.997 -4.457 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 12 9.750 -5.443 -10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.459 -3.714 -12.934 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.998 -3.159 -12.306 1.00 0.00 H new ATOM 179 N LEU A 13 10.293 -3.310 -9.501 1.00 0.00 N ATOM 180 CA LEU A 13 10.598 -2.200 -8.597 1.00 0.00 C ATOM 181 C LEU A 13 10.570 -0.868 -9.362 1.00 0.00 C ATOM 182 O LEU A 13 10.606 0.211 -8.782 1.00 0.00 O ATOM 183 CB LEU A 13 11.962 -2.495 -7.943 1.00 0.00 C ATOM 184 CG LEU A 13 12.262 -1.918 -6.542 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.111 -0.402 -6.434 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.415 -2.590 -5.458 1.00 0.00 C ATOM 0 H LEU A 13 11.105 -3.893 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 13 9.849 -2.106 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.071 -3.578 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.736 -2.134 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 13 13.317 -2.142 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.341 -0.085 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.797 0.082 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.087 -0.120 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.656 -2.156 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.358 -2.434 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.628 -3.659 -5.441 1.00 0.00 H new ATOM 198 N SER A 14 10.414 -0.908 -10.680 1.00 0.00 N ATOM 199 CA SER A 14 10.095 0.277 -11.449 1.00 0.00 C ATOM 200 C SER A 14 8.816 0.072 -12.251 1.00 0.00 C ATOM 201 O SER A 14 8.662 0.628 -13.343 1.00 0.00 O ATOM 202 CB SER A 14 11.292 0.598 -12.335 1.00 0.00 C ATOM 203 OG SER A 14 11.877 -0.572 -12.904 1.00 0.00 O ATOM 0 H SER A 14 10.505 -1.758 -11.237 1.00 0.00 H new ATOM 0 HA SER A 14 9.905 1.124 -10.790 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.979 1.270 -13.134 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.043 1.128 -11.749 1.00 0.00 H new ATOM 0 HG SER A 14 12.639 -0.317 -13.465 1.00 0.00 H new ATOM 209 N SER A 15 7.840 -0.630 -11.671 1.00 0.00 N ATOM 210 CA SER A 15 6.482 -0.507 -12.162 1.00 0.00 C ATOM 211 C SER A 15 5.814 0.732 -11.573 1.00 0.00 C ATOM 212 O SER A 15 6.381 1.387 -10.706 1.00 0.00 O ATOM 213 CB SER A 15 5.684 -1.784 -11.898 1.00 0.00 C ATOM 214 OG SER A 15 6.178 -2.814 -12.731 1.00 0.00 O ATOM 0 H SER A 15 7.965 -1.269 -10.885 1.00 0.00 H new ATOM 0 HA SER A 15 6.509 -0.377 -13.244 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.770 -2.073 -10.850 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.626 -1.615 -12.096 1.00 0.00 H new ATOM 0 HG SER A 15 5.688 -2.812 -13.579 1.00 0.00 H new ATOM 220 N MET A 16 4.620 1.088 -12.034 1.00 0.00 N ATOM 221 CA MET A 16 3.923 2.271 -11.552 1.00 0.00 C ATOM 222 C MET A 16 3.268 1.966 -10.211 1.00 0.00 C ATOM 223 O MET A 16 2.644 0.914 -10.061 1.00 0.00 O ATOM 224 CB MET A 16 2.858 2.674 -12.574 1.00 0.00 C ATOM 225 CG MET A 16 3.426 3.635 -13.618 1.00 0.00 C ATOM 226 SD MET A 16 2.404 5.096 -13.924 1.00 0.00 S ATOM 227 CE MET A 16 2.386 5.805 -12.254 1.00 0.00 C ATOM 0 H MET A 16 4.112 0.567 -12.748 1.00 0.00 H new ATOM 0 HA MET A 16 4.630 3.090 -11.422 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.470 1.784 -13.069 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.019 3.145 -12.062 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.415 3.960 -13.295 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.558 3.096 -14.556 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.546 6.882 -12.314 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.422 5.607 -11.785 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.179 5.353 -11.658 1.00 0.00 H new ATOM 237 N VAL A 17 3.376 2.892 -9.253 1.00 0.00 N ATOM 238 CA VAL A 17 2.568 2.838 -8.034 1.00 0.00 C ATOM 239 C VAL A 17 1.134 3.209 -8.428 1.00 0.00 C ATOM 240 O VAL A 17 0.900 3.837 -9.467 1.00 0.00 O ATOM 241 CB VAL A 17 3.138 3.776 -6.939 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.440 3.743 -5.571 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.602 3.526 -6.614 1.00 0.00 C ATOM 0 H VAL A 17 4.014 3.686 -9.299 1.00 0.00 H new ATOM 0 HA VAL A 17 2.586 1.838 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 17 2.967 4.738 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.932 4.442 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.394 4.027 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.498 2.736 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.927 4.221 -5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.726 2.503 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.204 3.674 -7.510 1.00 0.00 H new ATOM 253 N SER A 18 0.168 2.821 -7.604 1.00 0.00 N ATOM 254 CA SER A 18 -1.246 3.049 -7.848 1.00 0.00 C ATOM 255 C SER A 18 -1.849 3.971 -6.801 1.00 0.00 C ATOM 256 O SER A 18 -1.443 3.984 -5.642 1.00 0.00 O ATOM 257 CB SER A 18 -1.922 1.691 -7.874 1.00 0.00 C ATOM 258 OG SER A 18 -3.182 1.770 -8.498 1.00 0.00 O ATOM 0 H SER A 18 0.353 2.329 -6.730 1.00 0.00 H new ATOM 0 HA SER A 18 -1.395 3.555 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.293 0.977 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.038 1.318 -6.856 1.00 0.00 H new ATOM 0 HG SER A 18 -3.600 0.883 -8.505 1.00 0.00 H new ATOM 264 N ASP A 19 -2.868 4.728 -7.210 1.00 0.00 N ATOM 265 CA ASP A 19 -3.499 5.766 -6.405 1.00 0.00 C ATOM 266 C ASP A 19 -4.583 5.176 -5.497 1.00 0.00 C ATOM 267 O ASP A 19 -5.638 5.766 -5.287 1.00 0.00 O ATOM 268 CB ASP A 19 -4.163 6.742 -7.387 1.00 0.00 C ATOM 269 CG ASP A 19 -4.554 8.054 -6.716 1.00 0.00 C ATOM 270 OD1 ASP A 19 -3.641 8.758 -6.236 1.00 0.00 O ATOM 271 OD2 ASP A 19 -5.740 8.458 -6.764 1.00 0.00 O ATOM 0 H ASP A 19 -3.286 4.631 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.755 6.252 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.480 6.947 -8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.050 6.276 -7.816 1.00 0.00 H new ATOM 276 N ARG A 20 -4.352 3.981 -4.947 1.00 0.00 N ATOM 277 CA ARG A 20 -5.441 3.180 -4.400 1.00 0.00 C ATOM 278 C ARG A 20 -4.869 1.933 -3.782 1.00 0.00 C ATOM 279 O ARG A 20 -4.575 0.983 -4.493 1.00 0.00 O ATOM 280 CB ARG A 20 -6.480 2.813 -5.476 1.00 0.00 C ATOM 281 CG ARG A 20 -5.975 2.389 -6.862 1.00 0.00 C ATOM 282 CD ARG A 20 -7.091 2.589 -7.894 1.00 0.00 C ATOM 283 NE ARG A 20 -6.953 3.887 -8.578 1.00 0.00 N ATOM 284 CZ ARG A 20 -6.137 4.128 -9.615 1.00 0.00 C ATOM 285 NH1 ARG A 20 -5.401 3.162 -10.156 1.00 0.00 N ATOM 286 NH2 ARG A 20 -6.031 5.351 -10.119 1.00 0.00 N ATOM 0 H ARG A 20 -3.429 3.553 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.957 3.771 -3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.093 2.002 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.137 3.672 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.100 2.977 -7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.664 1.344 -6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.062 1.783 -8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.061 2.536 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.522 4.662 -8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.450 2.214 -9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.788 3.369 -10.944 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.572 6.117 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.408 5.525 -10.908 1.00 0.00 H new ATOM 300 N PHE A 21 -4.760 1.916 -2.459 1.00 0.00 N ATOM 301 CA PHE A 21 -4.413 0.723 -1.731 1.00 0.00 C ATOM 302 C PHE A 21 -5.345 -0.436 -2.097 1.00 0.00 C ATOM 303 O PHE A 21 -4.894 -1.448 -2.613 1.00 0.00 O ATOM 304 CB PHE A 21 -4.441 1.059 -0.239 1.00 0.00 C ATOM 305 CG PHE A 21 -4.329 -0.163 0.627 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.189 -0.963 0.494 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.346 -0.526 1.524 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.023 -2.104 1.277 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.184 -1.684 2.305 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.023 -2.469 2.188 1.00 0.00 C ATOM 0 H PHE A 21 -4.912 2.734 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.411 0.387 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.622 1.741 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.368 1.583 -0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.429 -0.693 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.239 0.075 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.129 -2.703 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.958 -1.973 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.902 -3.351 2.799 1.00 0.00 H new ATOM 320 N ALA A 22 -6.647 -0.319 -1.833 1.00 0.00 N ATOM 321 CA ALA A 22 -7.514 -1.490 -1.896 1.00 0.00 C ATOM 322 C ALA A 22 -7.822 -1.955 -3.329 1.00 0.00 C ATOM 323 O ALA A 22 -8.507 -2.958 -3.500 1.00 0.00 O ATOM 324 CB ALA A 22 -8.807 -1.216 -1.129 1.00 0.00 C ATOM 0 H ALA A 22 -7.113 0.552 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.969 -2.310 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.452 -2.093 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.573 -0.996 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.320 -0.363 -1.573 1.00 0.00 H new ATOM 330 N ARG A 23 -7.354 -1.240 -4.361 1.00 0.00 N ATOM 331 CA ARG A 23 -7.566 -1.583 -5.761 1.00 0.00 C ATOM 332 C ARG A 23 -6.217 -1.828 -6.436 1.00 0.00 C ATOM 333 O ARG A 23 -6.010 -1.427 -7.585 1.00 0.00 O ATOM 334 CB ARG A 23 -8.389 -0.459 -6.424 1.00 0.00 C ATOM 335 CG ARG A 23 -9.874 -0.826 -6.550 1.00 0.00 C ATOM 336 CD ARG A 23 -10.502 -0.288 -7.843 1.00 0.00 C ATOM 337 NE ARG A 23 -11.262 0.960 -7.664 1.00 0.00 N ATOM 338 CZ ARG A 23 -11.424 1.893 -8.615 1.00 0.00 C ATOM 339 NH1 ARG A 23 -10.642 1.917 -9.693 1.00 0.00 N ATOM 340 NH2 ARG A 23 -12.390 2.798 -8.498 1.00 0.00 N ATOM 0 H ARG A 23 -6.806 -0.389 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.135 -2.507 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.291 0.455 -5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.983 -0.249 -7.414 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.981 -1.910 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.418 -0.429 -5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.713 -0.119 -8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.164 -1.048 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.695 1.127 -6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.906 1.219 -9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.779 2.633 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.007 2.783 -7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.514 3.508 -9.220 1.00 0.00 H new ATOM 354 N ALA A 24 -5.287 -2.468 -5.730 1.00 0.00 N ATOM 355 CA ALA A 24 -3.903 -2.445 -6.142 1.00 0.00 C ATOM 356 C ALA A 24 -3.466 -3.829 -6.588 1.00 0.00 C ATOM 357 O ALA A 24 -3.447 -4.743 -5.775 1.00 0.00 O ATOM 358 CB ALA A 24 -2.995 -1.984 -5.008 1.00 0.00 C ATOM 0 H ALA A 24 -5.473 -3.001 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.819 -1.741 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.960 -1.978 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.281 -0.979 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.094 -2.665 -4.163 1.00 0.00 H new ATOM 364 N GLU A 25 -3.132 -3.973 -7.862 1.00 0.00 N ATOM 365 CA GLU A 25 -2.973 -5.257 -8.531 1.00 0.00 C ATOM 366 C GLU A 25 -1.752 -6.068 -8.087 1.00 0.00 C ATOM 367 O GLU A 25 -1.751 -7.293 -8.220 1.00 0.00 O ATOM 368 CB GLU A 25 -2.902 -4.962 -10.026 1.00 0.00 C ATOM 369 CG GLU A 25 -4.278 -4.502 -10.514 1.00 0.00 C ATOM 370 CD GLU A 25 -4.412 -4.582 -12.028 1.00 0.00 C ATOM 371 OE1 GLU A 25 -4.621 -5.684 -12.585 1.00 0.00 O ATOM 372 OE2 GLU A 25 -4.336 -3.519 -12.678 1.00 0.00 O ATOM 0 H GLU A 25 -2.959 -3.178 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.822 -5.887 -8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.157 -4.191 -10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.589 -5.853 -10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.049 -5.117 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.451 -3.476 -10.190 1.00 0.00 H new ATOM 379 N TYR A 26 -0.724 -5.414 -7.554 1.00 0.00 N ATOM 380 CA TYR A 26 0.470 -5.992 -6.994 1.00 0.00 C ATOM 381 C TYR A 26 0.781 -5.217 -5.724 1.00 0.00 C ATOM 382 O TYR A 26 0.416 -4.041 -5.599 1.00 0.00 O ATOM 383 CB TYR A 26 1.612 -5.835 -8.002 1.00 0.00 C ATOM 384 CG TYR A 26 1.435 -6.676 -9.236 1.00 0.00 C ATOM 385 CD1 TYR A 26 1.855 -8.017 -9.243 1.00 0.00 C ATOM 386 CD2 TYR A 26 0.828 -6.111 -10.371 1.00 0.00 C ATOM 387 CE1 TYR A 26 1.710 -8.783 -10.408 1.00 0.00 C ATOM 388 CE2 TYR A 26 0.699 -6.862 -11.545 1.00 0.00 C ATOM 389 CZ TYR A 26 1.163 -8.196 -11.569 1.00 0.00 C ATOM 390 OH TYR A 26 1.112 -8.921 -12.709 1.00 0.00 O ATOM 0 H TYR A 26 -0.714 -4.395 -7.504 1.00 0.00 H new ATOM 0 HA TYR A 26 0.343 -7.052 -6.773 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.690 -4.787 -8.293 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.552 -6.103 -7.520 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.287 -8.455 -8.356 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.461 -5.096 -10.337 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.016 -9.819 -10.417 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.249 -6.426 -12.424 1.00 0.00 H new ATOM 0 HH TYR A 26 0.709 -8.382 -13.421 1.00 0.00 H new ATOM 400 N PHE A 27 1.521 -5.846 -4.821 1.00 0.00 N ATOM 401 CA PHE A 27 2.050 -5.222 -3.630 1.00 0.00 C ATOM 402 C PHE A 27 3.506 -5.573 -3.509 1.00 0.00 C ATOM 403 O PHE A 27 3.867 -6.723 -3.285 1.00 0.00 O ATOM 404 CB PHE A 27 1.287 -5.642 -2.384 1.00 0.00 C ATOM 405 CG PHE A 27 0.066 -4.804 -2.190 1.00 0.00 C ATOM 406 CD1 PHE A 27 0.208 -3.479 -1.753 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.195 -5.327 -2.502 1.00 0.00 C ATOM 408 CE1 PHE A 27 -0.927 -2.688 -1.567 1.00 0.00 C ATOM 409 CE2 PHE A 27 -2.330 -4.526 -2.354 1.00 0.00 C ATOM 410 CZ PHE A 27 -2.196 -3.221 -1.848 1.00 0.00 C ATOM 0 H PHE A 27 1.773 -6.831 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 27 1.934 -4.142 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.002 -6.691 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.934 -5.554 -1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.190 -3.073 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.290 -6.343 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.830 -1.673 -1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.303 -4.906 -2.626 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.078 -2.622 -1.674 1.00 0.00 H new ATOM 420 N ILE A 28 4.343 -4.569 -3.660 1.00 0.00 N ATOM 421 CA ILE A 28 5.748 -4.699 -3.357 1.00 0.00 C ATOM 422 C ILE A 28 5.817 -4.564 -1.850 1.00 0.00 C ATOM 423 O ILE A 28 5.324 -3.576 -1.304 1.00 0.00 O ATOM 424 CB ILE A 28 6.513 -3.662 -4.186 1.00 0.00 C ATOM 425 CG1 ILE A 28 6.173 -3.792 -5.698 1.00 0.00 C ATOM 426 CG2 ILE A 28 8.009 -3.829 -3.946 1.00 0.00 C ATOM 427 CD1 ILE A 28 6.036 -5.224 -6.238 1.00 0.00 C ATOM 0 H ILE A 28 4.069 -3.645 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 28 6.221 -5.643 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 28 6.210 -2.663 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.239 -3.263 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.949 -3.282 -6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.556 -3.093 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.226 -3.682 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.316 -4.832 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.798 -5.191 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.974 -5.759 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.238 -5.740 -5.704 1.00 0.00 H new ATOM 439 N ILE A 29 6.321 -5.591 -1.175 1.00 0.00 N ATOM 440 CA ILE A 29 6.481 -5.583 0.268 1.00 0.00 C ATOM 441 C ILE A 29 7.966 -5.477 0.515 1.00 0.00 C ATOM 442 O ILE A 29 8.714 -6.342 0.074 1.00 0.00 O ATOM 443 CB ILE A 29 5.853 -6.803 0.962 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.354 -6.883 0.631 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.078 -6.717 2.484 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.703 -8.126 1.232 1.00 0.00 C ATOM 0 H ILE A 29 6.631 -6.455 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 29 5.944 -4.742 0.705 1.00 0.00 H new ATOM 0 HB ILE A 29 6.332 -7.711 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.851 -5.992 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.221 -6.891 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.630 -7.585 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.148 -6.697 2.693 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.616 -5.808 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.644 -8.143 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.188 -9.018 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.812 -8.106 2.316 1.00 0.00 H new ATOM 458 N TYR A 30 8.373 -4.385 1.148 1.00 0.00 N ATOM 459 CA TYR A 30 9.754 -4.086 1.501 1.00 0.00 C ATOM 460 C TYR A 30 9.986 -4.346 2.989 1.00 0.00 C ATOM 461 O TYR A 30 9.267 -3.795 3.822 1.00 0.00 O ATOM 462 CB TYR A 30 10.017 -2.603 1.195 1.00 0.00 C ATOM 463 CG TYR A 30 11.440 -2.150 1.432 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.497 -2.836 0.812 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.712 -1.040 2.255 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.814 -2.381 0.949 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.034 -0.589 2.412 1.00 0.00 C ATOM 468 CZ TYR A 30 14.082 -1.237 1.725 1.00 0.00 C ATOM 469 OH TYR A 30 15.343 -0.739 1.767 1.00 0.00 O ATOM 0 H TYR A 30 7.724 -3.654 1.441 1.00 0.00 H new ATOM 0 HA TYR A 30 10.428 -4.722 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.757 -2.410 0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.350 -1.996 1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.293 -3.720 0.226 1.00 0.00 H new ATOM 0 HD2 TYR A 30 10.905 -0.535 2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.622 -2.906 0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.247 0.251 3.057 1.00 0.00 H new ATOM 0 HH TYR A 30 15.363 0.052 2.345 1.00 0.00 H new ATOM 479 N ASP A 31 10.991 -5.160 3.310 1.00 0.00 N ATOM 480 CA ASP A 31 11.528 -5.406 4.650 1.00 0.00 C ATOM 481 C ASP A 31 12.667 -4.426 4.951 1.00 0.00 C ATOM 482 O ASP A 31 13.740 -4.538 4.341 1.00 0.00 O ATOM 483 CB ASP A 31 12.103 -6.840 4.724 1.00 0.00 C ATOM 484 CG ASP A 31 11.174 -7.831 5.417 1.00 0.00 C ATOM 485 OD1 ASP A 31 10.290 -8.400 4.747 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.341 -8.047 6.641 1.00 0.00 O ATOM 0 H ASP A 31 11.483 -5.699 2.598 1.00 0.00 H new ATOM 0 HA ASP A 31 10.722 -5.277 5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.310 -7.193 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.055 -6.815 5.254 1.00 0.00 H new ATOM 491 N THR A 32 12.518 -3.522 5.933 1.00 0.00 N ATOM 492 CA THR A 32 13.581 -2.560 6.281 1.00 0.00 C ATOM 493 C THR A 32 14.736 -3.168 7.078 1.00 0.00 C ATOM 494 O THR A 32 15.396 -2.471 7.854 1.00 0.00 O ATOM 495 CB THR A 32 12.972 -1.359 7.018 1.00 0.00 C ATOM 496 OG1 THR A 32 12.363 -1.796 8.215 1.00 0.00 O ATOM 497 CG2 THR A 32 11.939 -0.608 6.178 1.00 0.00 C ATOM 0 H THR A 32 11.674 -3.436 6.500 1.00 0.00 H new ATOM 0 HA THR A 32 14.025 -2.232 5.341 1.00 0.00 H new ATOM 0 HB THR A 32 13.789 -0.668 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.976 -1.028 8.685 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.544 0.230 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.411 -0.235 5.269 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.125 -1.283 5.914 1.00 0.00 H new ATOM 505 N GLU A 33 14.939 -4.475 6.968 1.00 0.00 N ATOM 506 CA GLU A 33 15.801 -5.209 7.852 1.00 0.00 C ATOM 507 C GLU A 33 16.702 -6.190 7.127 1.00 0.00 C ATOM 508 O GLU A 33 17.597 -6.786 7.735 1.00 0.00 O ATOM 509 CB GLU A 33 14.911 -5.917 8.870 1.00 0.00 C ATOM 510 CG GLU A 33 15.678 -6.071 10.168 1.00 0.00 C ATOM 511 CD GLU A 33 14.775 -6.513 11.316 1.00 0.00 C ATOM 512 OE1 GLU A 33 14.060 -5.662 11.892 1.00 0.00 O ATOM 513 OE2 GLU A 33 14.737 -7.718 11.652 1.00 0.00 O ATOM 0 H GLU A 33 14.499 -5.051 6.250 1.00 0.00 H new ATOM 0 HA GLU A 33 16.482 -4.516 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 33 13.999 -5.344 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.609 -6.894 8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 33 16.476 -6.801 10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.152 -5.123 10.424 1.00 0.00 H new ATOM 520 N SER A 34 16.507 -6.342 5.822 1.00 0.00 N ATOM 521 CA SER A 34 17.565 -6.861 4.987 1.00 0.00 C ATOM 522 C SER A 34 17.368 -6.330 3.565 1.00 0.00 C ATOM 523 O SER A 34 17.704 -7.005 2.590 1.00 0.00 O ATOM 524 CB SER A 34 17.456 -8.394 5.090 1.00 0.00 C ATOM 525 OG SER A 34 18.718 -8.978 5.335 1.00 0.00 O ATOM 0 H SER A 34 15.641 -6.116 5.333 1.00 0.00 H new ATOM 0 HA SER A 34 18.565 -6.551 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.767 -8.660 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 34 17.039 -8.795 4.166 1.00 0.00 H new ATOM 0 HG SER A 34 18.621 -9.951 5.398 1.00 0.00 H new ATOM 531 N GLY A 35 16.905 -5.075 3.469 1.00 0.00 N ATOM 532 CA GLY A 35 16.451 -4.396 2.263 1.00 0.00 C ATOM 533 C GLY A 35 15.744 -5.323 1.277 1.00 0.00 C ATOM 534 O GLY A 35 15.968 -5.187 0.072 1.00 0.00 O ATOM 0 H GLY A 35 16.836 -4.474 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.773 -3.589 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.307 -3.937 1.769 1.00 0.00 H new ATOM 538 N ASN A 36 15.003 -6.320 1.764 1.00 0.00 N ATOM 539 CA ASN A 36 14.480 -7.402 0.937 1.00 0.00 C ATOM 540 C ASN A 36 13.131 -6.949 0.394 1.00 0.00 C ATOM 541 O ASN A 36 12.487 -6.086 0.997 1.00 0.00 O ATOM 542 CB ASN A 36 14.396 -8.704 1.759 1.00 0.00 C ATOM 543 CG ASN A 36 14.391 -9.961 0.883 1.00 0.00 C ATOM 544 OD1 ASN A 36 13.874 -9.982 -0.231 1.00 0.00 O ATOM 545 ND2 ASN A 36 15.040 -11.027 1.311 1.00 0.00 N ATOM 0 H ASN A 36 14.749 -6.397 2.749 1.00 0.00 H new ATOM 0 HA ASN A 36 15.138 -7.622 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.241 -8.749 2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.491 -8.687 2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.108 -11.855 0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.474 -11.023 2.234 1.00 0.00 H new ATOM 552 N VAL A 37 12.712 -7.496 -0.743 1.00 0.00 N ATOM 553 CA VAL A 37 11.472 -7.138 -1.387 1.00 0.00 C ATOM 554 C VAL A 37 10.809 -8.361 -2.005 1.00 0.00 C ATOM 555 O VAL A 37 11.457 -9.154 -2.699 1.00 0.00 O ATOM 556 CB VAL A 37 11.648 -6.040 -2.455 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.426 -5.132 -2.351 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.938 -5.202 -2.423 1.00 0.00 C ATOM 0 H VAL A 37 13.240 -8.211 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 37 10.828 -6.732 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 37 11.741 -6.561 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.502 -4.334 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.523 -5.714 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.379 -4.699 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.918 -4.473 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.010 -4.682 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.801 -5.857 -2.546 1.00 0.00 H new ATOM 568 N GLU A 38 9.499 -8.444 -1.824 1.00 0.00 N ATOM 569 CA GLU A 38 8.596 -9.434 -2.386 1.00 0.00 C ATOM 570 C GLU A 38 7.715 -8.745 -3.432 1.00 0.00 C ATOM 571 O GLU A 38 7.453 -7.548 -3.303 1.00 0.00 O ATOM 572 CB GLU A 38 7.761 -9.960 -1.207 1.00 0.00 C ATOM 573 CG GLU A 38 6.676 -11.000 -1.519 1.00 0.00 C ATOM 574 CD GLU A 38 7.198 -12.403 -1.875 1.00 0.00 C ATOM 575 OE1 GLU A 38 8.366 -12.727 -1.550 1.00 0.00 O ATOM 576 OE2 GLU A 38 6.407 -13.218 -2.408 1.00 0.00 O ATOM 0 H GLU A 38 9.005 -7.771 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 38 9.115 -10.257 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.444 -10.395 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.282 -9.107 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.016 -11.083 -0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.071 -10.633 -2.348 1.00 0.00 H new ATOM 583 N VAL A 39 7.201 -9.487 -4.420 1.00 0.00 N ATOM 584 CA VAL A 39 6.025 -9.087 -5.190 1.00 0.00 C ATOM 585 C VAL A 39 4.881 -9.976 -4.710 1.00 0.00 C ATOM 586 O VAL A 39 4.901 -11.189 -4.915 1.00 0.00 O ATOM 587 CB VAL A 39 6.215 -9.240 -6.717 1.00 0.00 C ATOM 588 CG1 VAL A 39 5.001 -8.630 -7.446 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.512 -8.613 -7.253 1.00 0.00 C ATOM 0 H VAL A 39 7.593 -10.384 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 39 5.828 -8.027 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 39 6.294 -10.309 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.132 -8.736 -8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.093 -9.149 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.918 -7.573 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.570 -8.763 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.517 -7.545 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.370 -9.086 -6.774 1.00 0.00 H new ATOM 599 N VAL A 40 3.895 -9.405 -4.035 1.00 0.00 N ATOM 600 CA VAL A 40 2.567 -9.978 -3.927 1.00 0.00 C ATOM 601 C VAL A 40 1.830 -9.640 -5.225 1.00 0.00 C ATOM 602 O VAL A 40 1.910 -8.511 -5.708 1.00 0.00 O ATOM 603 CB VAL A 40 1.895 -9.424 -2.654 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.357 -9.441 -2.680 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.400 -10.181 -1.417 1.00 0.00 C ATOM 0 H VAL A 40 3.999 -8.519 -3.541 1.00 0.00 H new ATOM 0 HA VAL A 40 2.569 -11.063 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 40 2.181 -8.373 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.027 -9.034 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.000 -8.835 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.006 -10.466 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.919 -9.781 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.160 -11.240 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.480 -10.060 -1.332 1.00 0.00 H new ATOM 615 N GLU A 41 1.095 -10.599 -5.781 1.00 0.00 N ATOM 616 CA GLU A 41 0.045 -10.381 -6.769 1.00 0.00 C ATOM 617 C GLU A 41 -1.251 -10.264 -5.964 1.00 0.00 C ATOM 618 O GLU A 41 -1.467 -11.054 -5.038 1.00 0.00 O ATOM 619 CB GLU A 41 0.017 -11.595 -7.707 1.00 0.00 C ATOM 620 CG GLU A 41 -1.110 -11.563 -8.745 1.00 0.00 C ATOM 621 CD GLU A 41 -1.237 -12.918 -9.444 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.550 -13.922 -8.760 1.00 0.00 O ATOM 623 OE2 GLU A 41 -1.011 -13.006 -10.677 1.00 0.00 O ATOM 0 H GLU A 41 1.219 -11.584 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 41 0.195 -9.490 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.973 -11.660 -8.227 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.082 -12.500 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.052 -11.309 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.911 -10.785 -9.482 1.00 0.00 H new ATOM 630 N ASN A 42 -2.118 -9.298 -6.271 1.00 0.00 N ATOM 631 CA ASN A 42 -3.334 -9.052 -5.504 1.00 0.00 C ATOM 632 C ASN A 42 -4.508 -8.819 -6.443 1.00 0.00 C ATOM 633 O ASN A 42 -4.753 -7.707 -6.904 1.00 0.00 O ATOM 634 CB ASN A 42 -3.133 -7.914 -4.499 1.00 0.00 C ATOM 635 CG ASN A 42 -3.909 -8.193 -3.230 1.00 0.00 C ATOM 636 OD1 ASN A 42 -3.328 -8.375 -2.168 1.00 0.00 O ATOM 637 ND2 ASN A 42 -5.224 -8.323 -3.294 1.00 0.00 N ATOM 0 H ASN A 42 -1.994 -8.664 -7.061 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.569 -9.937 -4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.073 -7.805 -4.269 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.463 -6.971 -4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.753 -8.575 -2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.709 -8.172 -4.178 1.00 0.00 H new ATOM 754 N PRO A 52 -11.473 -8.373 3.158 1.00 0.00 N ATOM 755 CA PRO A 52 -10.443 -7.429 2.774 1.00 0.00 C ATOM 756 C PRO A 52 -9.628 -7.901 1.580 1.00 0.00 C ATOM 757 O PRO A 52 -9.184 -7.041 0.823 1.00 0.00 O ATOM 758 CB PRO A 52 -9.537 -7.259 3.972 1.00 0.00 C ATOM 759 CG PRO A 52 -9.701 -8.536 4.780 1.00 0.00 C ATOM 760 CD PRO A 52 -11.069 -9.100 4.352 1.00 0.00 C ATOM 0 HA PRO A 52 -10.911 -6.492 2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.501 -7.118 3.665 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.818 -6.384 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.898 -9.243 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.674 -8.333 5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.999 -10.168 4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.804 -8.975 5.147 1.00 0.00 H new ATOM 768 N LYS A 53 -9.388 -9.210 1.428 1.00 0.00 N ATOM 769 CA LYS A 53 -8.425 -9.825 0.515 1.00 0.00 C ATOM 770 C LYS A 53 -7.021 -9.285 0.749 1.00 0.00 C ATOM 771 O LYS A 53 -6.248 -9.914 1.468 1.00 0.00 O ATOM 772 CB LYS A 53 -8.891 -9.772 -0.954 1.00 0.00 C ATOM 773 CG LYS A 53 -10.152 -10.621 -1.212 1.00 0.00 C ATOM 774 CD LYS A 53 -11.478 -9.891 -0.963 1.00 0.00 C ATOM 775 CE LYS A 53 -11.935 -9.084 -2.173 1.00 0.00 C ATOM 776 NZ LYS A 53 -12.498 -9.942 -3.232 1.00 0.00 N ATOM 0 H LYS A 53 -9.894 -9.907 1.974 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.375 -10.889 0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.093 -8.737 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.085 -10.122 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.133 -10.970 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.115 -11.505 -0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.247 -10.619 -0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.368 -9.226 -0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.684 -8.356 -1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.091 -8.522 -2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.857 -9.348 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.757 -10.575 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.277 -10.510 -2.841 1.00 0.00 H new ATOM 790 N VAL A 54 -6.732 -8.099 0.219 1.00 0.00 N ATOM 791 CA VAL A 54 -5.457 -7.410 0.316 1.00 0.00 C ATOM 792 C VAL A 54 -4.978 -7.396 1.767 1.00 0.00 C ATOM 793 O VAL A 54 -3.878 -7.844 2.065 1.00 0.00 O ATOM 794 CB VAL A 54 -5.555 -6.015 -0.351 1.00 0.00 C ATOM 795 CG1 VAL A 54 -6.867 -5.248 -0.137 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.400 -5.112 0.060 1.00 0.00 C ATOM 0 H VAL A 54 -7.420 -7.569 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.686 -7.944 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.513 -6.258 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.815 -4.288 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.698 -5.829 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.021 -5.081 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.504 -4.143 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.411 -4.976 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.457 -5.569 -0.239 1.00 0.00 H new ATOM 806 N VAL A 55 -5.806 -6.905 2.683 1.00 0.00 N ATOM 807 CA VAL A 55 -5.416 -6.722 4.075 1.00 0.00 C ATOM 808 C VAL A 55 -5.173 -8.080 4.721 1.00 0.00 C ATOM 809 O VAL A 55 -4.065 -8.265 5.202 1.00 0.00 O ATOM 810 CB VAL A 55 -6.425 -5.798 4.786 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.830 -5.163 6.028 1.00 0.00 C ATOM 812 CG2 VAL A 55 -6.920 -4.664 3.855 1.00 0.00 C ATOM 0 H VAL A 55 -6.765 -6.623 2.481 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.463 -6.200 4.163 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.264 -6.435 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.573 -4.520 6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.530 -5.943 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.959 -4.569 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.629 -4.035 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.071 -4.061 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.409 -5.097 2.982 1.00 0.00 H new ATOM 822 N GLN A 56 -6.111 -9.039 4.658 1.00 0.00 N ATOM 823 CA GLN A 56 -5.909 -10.360 5.260 1.00 0.00 C ATOM 824 C GLN A 56 -4.597 -11.010 4.767 1.00 0.00 C ATOM 825 O GLN A 56 -3.937 -11.756 5.495 1.00 0.00 O ATOM 826 CB GLN A 56 -7.089 -11.324 5.025 1.00 0.00 C ATOM 827 CG GLN A 56 -8.252 -11.144 6.024 1.00 0.00 C ATOM 828 CD GLN A 56 -8.351 -12.132 7.185 1.00 0.00 C ATOM 829 OE1 GLN A 56 -7.949 -13.294 7.111 1.00 0.00 O ATOM 830 NE2 GLN A 56 -8.987 -11.711 8.267 1.00 0.00 N ATOM 0 H GLN A 56 -7.013 -8.921 4.197 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.843 -10.184 6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.467 -11.180 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.725 -12.350 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.182 -10.140 6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.186 -11.191 5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.317 -10.748 8.322 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.147 -12.350 9.046 1.00 0.00 H new ATOM 839 N SER A 57 -4.208 -10.752 3.514 1.00 0.00 N ATOM 840 CA SER A 57 -2.917 -11.149 2.979 1.00 0.00 C ATOM 841 C SER A 57 -1.763 -10.393 3.617 1.00 0.00 C ATOM 842 O SER A 57 -0.927 -11.002 4.280 1.00 0.00 O ATOM 843 CB SER A 57 -2.896 -10.933 1.467 1.00 0.00 C ATOM 844 OG SER A 57 -3.628 -11.950 0.819 1.00 0.00 O ATOM 0 H SER A 57 -4.793 -10.256 2.842 1.00 0.00 H new ATOM 0 HA SER A 57 -2.783 -12.205 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.321 -9.959 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.867 -10.930 1.107 1.00 0.00 H new ATOM 0 HG SER A 57 -3.609 -11.800 -0.149 1.00 0.00 H new ATOM 850 N LEU A 58 -1.666 -9.089 3.371 1.00 0.00 N ATOM 851 CA LEU A 58 -0.485 -8.293 3.675 1.00 0.00 C ATOM 852 C LEU A 58 -0.160 -8.340 5.166 1.00 0.00 C ATOM 853 O LEU A 58 1.003 -8.447 5.546 1.00 0.00 O ATOM 854 CB LEU A 58 -0.727 -6.851 3.222 1.00 0.00 C ATOM 855 CG LEU A 58 -0.867 -6.618 1.708 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.230 -5.150 1.476 1.00 0.00 C ATOM 857 CD2 LEU A 58 0.403 -6.968 0.947 1.00 0.00 C ATOM 0 H LEU A 58 -2.420 -8.549 2.947 1.00 0.00 H new ATOM 0 HA LEU A 58 0.371 -8.706 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.633 -6.489 3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.097 -6.237 3.586 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.650 -7.275 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.334 -4.965 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.172 -4.925 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.443 -4.513 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.252 -6.786 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.225 -6.350 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.643 -8.019 1.104 1.00 0.00 H new ATOM 869 N VAL A 59 -1.190 -8.320 6.006 1.00 0.00 N ATOM 870 CA VAL A 59 -1.110 -8.463 7.455 1.00 0.00 C ATOM 871 C VAL A 59 -0.369 -9.751 7.855 1.00 0.00 C ATOM 872 O VAL A 59 0.428 -9.750 8.795 1.00 0.00 O ATOM 873 CB VAL A 59 -2.567 -8.378 7.949 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.850 -8.957 9.337 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.995 -6.900 7.956 1.00 0.00 C ATOM 0 H VAL A 59 -2.148 -8.198 5.679 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.516 -7.681 7.928 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.134 -8.998 7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.908 -8.838 9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.592 -10.016 9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.252 -8.430 10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.025 -6.821 8.303 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.343 -6.336 8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.920 -6.495 6.947 1.00 0.00 H new ATOM 885 N SER A 60 -0.542 -10.844 7.112 1.00 0.00 N ATOM 886 CA SER A 60 0.180 -12.085 7.360 1.00 0.00 C ATOM 887 C SER A 60 1.685 -11.969 7.073 1.00 0.00 C ATOM 888 O SER A 60 2.436 -12.860 7.478 1.00 0.00 O ATOM 889 CB SER A 60 -0.447 -13.178 6.499 1.00 0.00 C ATOM 890 OG SER A 60 -0.121 -14.488 6.922 1.00 0.00 O ATOM 0 H SER A 60 -1.187 -10.891 6.323 1.00 0.00 H new ATOM 0 HA SER A 60 0.096 -12.328 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.531 -13.061 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.122 -13.047 5.467 1.00 0.00 H new ATOM 0 HG SER A 60 0.804 -14.507 7.245 1.00 0.00 H new ATOM 896 N LYS A 61 2.154 -10.915 6.396 1.00 0.00 N ATOM 897 CA LYS A 61 3.582 -10.660 6.223 1.00 0.00 C ATOM 898 C LYS A 61 4.002 -9.449 7.061 1.00 0.00 C ATOM 899 O LYS A 61 4.933 -8.749 6.673 1.00 0.00 O ATOM 900 CB LYS A 61 3.897 -10.413 4.732 1.00 0.00 C ATOM 901 CG LYS A 61 3.575 -11.558 3.761 1.00 0.00 C ATOM 902 CD LYS A 61 2.184 -11.476 3.112 1.00 0.00 C ATOM 903 CE LYS A 61 2.106 -12.280 1.802 1.00 0.00 C ATOM 904 NZ LYS A 61 1.925 -13.732 2.011 1.00 0.00 N ATOM 0 H LYS A 61 1.553 -10.218 5.955 1.00 0.00 H new ATOM 0 HA LYS A 61 4.143 -11.532 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.347 -9.529 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.958 -10.179 4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.328 -11.571 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.656 -12.504 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.436 -11.850 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.939 -10.433 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.279 -11.902 1.201 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.018 -12.114 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.881 -14.212 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.726 -14.106 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.041 -13.900 2.532 1.00 0.00 H new ATOM 918 N GLY A 62 3.439 -9.276 8.261 1.00 0.00 N ATOM 919 CA GLY A 62 3.878 -8.260 9.220 1.00 0.00 C ATOM 920 C GLY A 62 3.894 -6.840 8.656 1.00 0.00 C ATOM 921 O GLY A 62 4.708 -6.028 9.096 1.00 0.00 O ATOM 0 H GLY A 62 2.660 -9.842 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.221 -8.287 10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.879 -8.513 9.569 1.00 0.00 H new ATOM 925 N VAL A 63 3.060 -6.548 7.655 1.00 0.00 N ATOM 926 CA VAL A 63 3.021 -5.258 7.000 1.00 0.00 C ATOM 927 C VAL A 63 2.377 -4.249 7.933 1.00 0.00 C ATOM 928 O VAL A 63 1.154 -4.100 7.970 1.00 0.00 O ATOM 929 CB VAL A 63 2.315 -5.370 5.639 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.130 -4.006 4.970 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.115 -6.246 4.667 1.00 0.00 C ATOM 0 H VAL A 63 2.388 -7.217 7.279 1.00 0.00 H new ATOM 0 HA VAL A 63 4.030 -4.905 6.786 1.00 0.00 H new ATOM 0 HB VAL A 63 1.342 -5.814 5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.627 -4.136 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.527 -3.365 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.104 -3.545 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.589 -6.305 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.101 -5.809 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.224 -7.247 5.084 1.00 0.00 H new ATOM 941 N GLU A 64 3.211 -3.495 8.639 1.00 0.00 N ATOM 942 CA GLU A 64 2.727 -2.494 9.578 1.00 0.00 C ATOM 943 C GLU A 64 2.877 -1.079 9.019 1.00 0.00 C ATOM 944 O GLU A 64 2.967 -0.093 9.752 1.00 0.00 O ATOM 945 CB GLU A 64 3.616 -2.647 10.809 1.00 0.00 C ATOM 946 CG GLU A 64 3.219 -3.869 11.633 1.00 0.00 C ATOM 947 CD GLU A 64 3.679 -3.707 13.079 1.00 0.00 C ATOM 948 OE1 GLU A 64 3.070 -2.941 13.869 1.00 0.00 O ATOM 949 OE2 GLU A 64 4.717 -4.320 13.425 1.00 0.00 O ATOM 0 H GLU A 64 4.227 -3.559 8.578 1.00 0.00 H new ATOM 0 HA GLU A 64 1.668 -2.638 9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.657 -2.738 10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.544 -1.751 11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.138 -4.001 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.663 -4.766 11.202 1.00 0.00 H new ATOM 956 N TYR A 65 2.695 -0.932 7.717 1.00 0.00 N ATOM 957 CA TYR A 65 3.135 0.230 6.961 1.00 0.00 C ATOM 958 C TYR A 65 2.630 0.090 5.526 1.00 0.00 C ATOM 959 O TYR A 65 2.455 -1.013 5.006 1.00 0.00 O ATOM 960 CB TYR A 65 4.677 0.319 7.017 1.00 0.00 C ATOM 961 CG TYR A 65 5.287 1.491 7.762 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.565 1.353 9.130 1.00 0.00 C ATOM 963 CD2 TYR A 65 5.627 2.688 7.106 1.00 0.00 C ATOM 964 CE1 TYR A 65 6.205 2.372 9.840 1.00 0.00 C ATOM 965 CE2 TYR A 65 6.157 3.768 7.842 1.00 0.00 C ATOM 966 CZ TYR A 65 6.472 3.602 9.212 1.00 0.00 C ATOM 967 OH TYR A 65 6.970 4.617 9.968 1.00 0.00 O ATOM 0 H TYR A 65 2.227 -1.633 7.143 1.00 0.00 H new ATOM 0 HA TYR A 65 2.732 1.150 7.384 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.050 -0.599 7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.049 0.342 5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.280 0.446 9.642 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.482 2.780 6.040 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.494 2.216 10.869 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.322 4.721 7.361 1.00 0.00 H new ATOM 0 HH TYR A 65 7.108 5.407 9.405 1.00 0.00 H new ATOM 977 N LEU A 66 2.399 1.206 4.848 1.00 0.00 N ATOM 978 CA LEU A 66 1.883 1.258 3.487 1.00 0.00 C ATOM 979 C LEU A 66 2.233 2.616 2.882 1.00 0.00 C ATOM 980 O LEU A 66 2.379 3.593 3.611 1.00 0.00 O ATOM 981 CB LEU A 66 0.366 0.998 3.559 1.00 0.00 C ATOM 982 CG LEU A 66 -0.498 1.450 2.378 1.00 0.00 C ATOM 983 CD1 LEU A 66 -0.246 0.761 1.035 1.00 0.00 C ATOM 984 CD2 LEU A 66 -1.967 1.233 2.757 1.00 0.00 C ATOM 0 H LEU A 66 2.571 2.130 5.243 1.00 0.00 H new ATOM 0 HA LEU A 66 2.326 0.501 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.217 -0.074 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.014 1.486 4.457 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.228 2.493 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.921 1.171 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.786 0.931 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.423 -0.310 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.606 1.547 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.137 0.177 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.205 1.820 3.644 1.00 0.00 H new ATOM 996 N ILE A 67 2.331 2.706 1.560 1.00 0.00 N ATOM 997 CA ILE A 67 2.512 3.943 0.805 1.00 0.00 C ATOM 998 C ILE A 67 1.406 3.960 -0.241 1.00 0.00 C ATOM 999 O ILE A 67 1.467 3.185 -1.187 1.00 0.00 O ATOM 1000 CB ILE A 67 3.908 3.944 0.155 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.023 3.992 1.227 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.101 5.177 -0.736 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.367 3.443 0.755 1.00 0.00 C ATOM 0 H ILE A 67 2.285 1.884 0.958 1.00 0.00 H new ATOM 0 HA ILE A 67 2.452 4.831 1.435 1.00 0.00 H new ATOM 0 HB ILE A 67 3.974 3.027 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.158 5.024 1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.698 3.425 2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.095 5.152 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.349 5.177 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.996 6.080 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.093 3.513 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.251 2.400 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.718 4.024 -0.098 1.00 0.00 H new ATOM 1015 N ALA A 68 0.357 4.754 -0.059 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.822 4.750 -0.910 1.00 0.00 C ATOM 1017 C ALA A 68 -1.617 6.037 -0.675 1.00 0.00 C ATOM 1018 O ALA A 68 -2.314 6.162 0.328 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.728 3.576 -0.556 1.00 0.00 C ATOM 0 H ALA A 68 0.304 5.432 0.701 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.498 4.672 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.606 3.587 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.185 2.642 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.042 3.659 0.485 1.00 0.00 H new ATOM 1025 N SER A 69 -1.563 6.971 -1.616 1.00 0.00 N ATOM 1026 CA SER A 69 -2.282 8.253 -1.501 1.00 0.00 C ATOM 1027 C SER A 69 -3.797 8.140 -1.419 1.00 0.00 C ATOM 1028 O SER A 69 -4.450 9.134 -1.096 1.00 0.00 O ATOM 1029 CB SER A 69 -1.947 9.185 -2.664 1.00 0.00 C ATOM 1030 OG SER A 69 -1.044 10.146 -2.196 1.00 0.00 O ATOM 0 H SER A 69 -1.026 6.872 -2.478 1.00 0.00 H new ATOM 0 HA SER A 69 -1.933 8.657 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.512 8.623 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.850 9.663 -3.043 1.00 0.00 H new ATOM 0 HG SER A 69 -0.410 10.373 -2.908 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.389 6.987 -1.720 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.817 6.813 -1.580 1.00 0.00 C ATOM 1038 C ASN A 70 -6.116 5.334 -1.417 1.00 0.00 C ATOM 1039 O ASN A 70 -5.212 4.494 -1.392 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.564 7.421 -2.789 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.227 8.725 -2.383 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -7.950 8.743 -1.396 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -6.980 9.850 -3.034 1.00 0.00 N ATOM 0 H ASN A 70 -3.894 6.163 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.170 7.342 -0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.866 7.597 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.314 6.720 -3.154 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.391 10.726 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.378 9.841 -3.857 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.394 4.993 -1.322 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.879 3.641 -1.163 1.00 0.00 C ATOM 1052 C VAL A 71 -9.021 3.449 -2.161 1.00 0.00 C ATOM 1053 O VAL A 71 -9.469 4.386 -2.820 1.00 0.00 O ATOM 1054 CB VAL A 71 -8.133 3.411 0.345 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.416 4.007 0.897 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -8.106 1.946 0.764 1.00 0.00 C ATOM 0 H VAL A 71 -8.145 5.682 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.183 2.842 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.287 3.947 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.492 3.785 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.408 5.087 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.271 3.577 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.293 1.870 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.877 1.398 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.129 1.520 0.535 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.395 2.192 -2.358 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.544 1.802 -3.166 1.00 0.00 C ATOM 1068 C GLY A 72 -11.809 2.449 -2.603 1.00 0.00 C ATOM 1069 O GLY A 72 -12.532 3.109 -3.344 1.00 0.00 O ATOM 0 H GLY A 72 -8.899 1.398 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.395 2.110 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.648 0.717 -3.168 1.00 0.00 H new ATOM 1073 N ARG A 73 -12.017 2.277 -1.291 1.00 0.00 N ATOM 1074 CA ARG A 73 -13.099 2.760 -0.417 1.00 0.00 C ATOM 1075 C ARG A 73 -12.958 2.010 0.902 1.00 0.00 C ATOM 1076 O ARG A 73 -12.194 2.454 1.761 1.00 0.00 O ATOM 1077 CB ARG A 73 -14.521 2.629 -1.007 1.00 0.00 C ATOM 1078 CG ARG A 73 -15.028 3.940 -1.615 1.00 0.00 C ATOM 1079 CD ARG A 73 -16.481 3.816 -2.069 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.749 4.851 -3.068 1.00 0.00 N ATOM 1081 CZ ARG A 73 -17.591 4.802 -4.096 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -18.512 3.851 -4.182 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -17.486 5.709 -5.055 1.00 0.00 N ATOM 0 H ARG A 73 -11.349 1.729 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.988 3.836 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.523 1.853 -1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.207 2.306 -0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.941 4.741 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.402 4.216 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.662 2.827 -2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.154 3.928 -1.219 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.224 5.719 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.583 3.142 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.150 3.829 -4.978 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.767 6.431 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.124 5.686 -5.851 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.585 0.835 1.030 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.326 -0.068 2.147 1.00 0.00 C ATOM 1099 C ASN A 74 -11.861 -0.475 2.079 1.00 0.00 C ATOM 1100 O ASN A 74 -11.352 -0.711 0.979 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.189 -1.344 2.092 1.00 0.00 C ATOM 1102 CG ASN A 74 -15.578 -1.169 2.689 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -16.055 -0.054 2.867 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -16.262 -2.251 3.006 1.00 0.00 N ATOM 0 H ASN A 74 -14.279 0.490 0.367 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.572 0.453 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.287 -1.661 1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.673 -2.144 2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.197 -2.165 3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.856 -3.174 2.854 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.224 -0.531 3.253 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.982 -1.215 3.637 1.00 0.00 C ATOM 1113 C ALA A 75 -9.332 -0.488 4.811 1.00 0.00 C ATOM 1114 O ALA A 75 -8.618 -1.095 5.599 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.946 -1.297 2.523 1.00 0.00 C ATOM 0 H ALA A 75 -11.614 -0.037 4.056 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.280 -2.232 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.060 -1.816 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.364 -1.843 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.672 -0.291 2.206 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.535 0.830 4.885 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.925 1.748 5.840 1.00 0.00 C ATOM 1123 C PHE A 76 -9.122 1.273 7.271 1.00 0.00 C ATOM 1124 O PHE A 76 -8.188 1.310 8.063 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.566 3.118 5.603 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.249 4.217 6.603 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -8.103 5.005 6.413 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.111 4.507 7.679 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.816 6.081 7.271 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.853 5.613 8.511 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.709 6.405 8.308 1.00 0.00 C ATOM 0 H PHE A 76 -10.166 1.308 4.242 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.846 1.800 5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.266 3.465 4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.648 2.985 5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.432 4.782 5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.971 3.880 7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.913 6.657 7.134 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.538 5.855 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.517 7.256 8.944 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.325 0.802 7.573 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.733 0.309 8.878 1.00 0.00 C ATOM 1143 C GLU A 77 -10.012 -1.010 9.172 1.00 0.00 C ATOM 1144 O GLU A 77 -9.592 -1.258 10.302 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.264 0.168 8.864 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.928 1.549 8.684 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.353 1.490 8.145 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.520 1.104 6.961 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -15.257 1.989 8.851 1.00 0.00 O ATOM 0 H GLU A 77 -11.075 0.752 6.883 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.459 0.996 9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.567 -0.497 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.602 -0.287 9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.936 2.064 9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.319 2.147 8.006 1.00 0.00 H new ATOM 1156 N THR A 78 -9.790 -1.842 8.153 1.00 0.00 N ATOM 1157 CA THR A 78 -9.092 -3.113 8.266 1.00 0.00 C ATOM 1158 C THR A 78 -7.579 -2.879 8.412 1.00 0.00 C ATOM 1159 O THR A 78 -6.874 -3.743 8.931 1.00 0.00 O ATOM 1160 CB THR A 78 -9.441 -4.011 7.049 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.685 -3.637 6.465 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.485 -5.485 7.471 1.00 0.00 C ATOM 0 H THR A 78 -10.101 -1.640 7.203 1.00 0.00 H new ATOM 0 HA THR A 78 -9.419 -3.637 9.164 1.00 0.00 H new ATOM 0 HB THR A 78 -8.660 -3.873 6.301 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.876 -4.220 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.731 -6.103 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.512 -5.780 7.864 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.244 -5.620 8.242 1.00 0.00 H new ATOM 1170 N LEU A 79 -7.059 -1.724 7.978 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.654 -1.358 8.144 1.00 0.00 C ATOM 1172 C LEU A 79 -5.370 -1.111 9.616 1.00 0.00 C ATOM 1173 O LEU A 79 -4.608 -1.835 10.247 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.279 -0.134 7.277 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.175 -0.446 5.774 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.999 0.826 4.937 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.975 -1.358 5.530 1.00 0.00 C ATOM 0 H LEU A 79 -7.610 -1.013 7.498 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.031 -2.183 7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.025 0.647 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.326 0.266 7.622 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.103 -0.931 5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.930 0.561 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.855 1.484 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.087 1.339 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.898 -1.581 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.065 -0.859 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.104 -2.286 6.087 1.00 0.00 H new ATOM 1189 N LYS A 80 -6.004 -0.095 10.181 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.839 0.291 11.570 1.00 0.00 C ATOM 1191 C LYS A 80 -6.220 -0.800 12.557 1.00 0.00 C ATOM 1192 O LYS A 80 -5.591 -0.902 13.608 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.615 1.575 11.808 1.00 0.00 C ATOM 1194 CG LYS A 80 -8.071 1.631 11.312 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.504 3.054 10.903 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.541 3.698 9.887 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.623 4.698 10.481 1.00 0.00 N ATOM 0 H LYS A 80 -6.662 0.496 9.673 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.778 0.459 11.753 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.618 1.772 12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.068 2.391 11.335 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.187 0.961 10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.733 1.265 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.506 3.016 10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.561 3.682 11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.951 2.914 9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.125 4.177 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.929 5.654 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.638 4.611 11.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.657 4.532 10.134 1.00 0.00 H new ATOM 1211 N ALA A 81 -7.164 -1.664 12.191 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.478 -2.896 12.908 1.00 0.00 C ATOM 1213 C ALA A 81 -6.218 -3.701 13.239 1.00 0.00 C ATOM 1214 O ALA A 81 -6.122 -4.214 14.355 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.442 -3.753 12.087 1.00 0.00 C ATOM 0 H ALA A 81 -7.747 -1.522 11.366 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.950 -2.615 13.849 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.669 -4.669 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.363 -3.198 11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.982 -4.004 11.131 1.00 0.00 H new ATOM 1221 N ALA A 82 -5.247 -3.770 12.317 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.964 -4.430 12.532 1.00 0.00 C ATOM 1223 C ALA A 82 -2.825 -3.407 12.651 1.00 0.00 C ATOM 1224 O ALA A 82 -1.696 -3.673 12.248 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.731 -5.352 11.326 1.00 0.00 C ATOM 0 H ALA A 82 -5.339 -3.360 11.388 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.979 -4.995 13.464 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.779 -5.870 11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.537 -6.084 11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.712 -4.758 10.412 1.00 0.00 H new ATOM 1231 N GLY A 83 -3.089 -2.267 13.283 1.00 0.00 N ATOM 1232 CA GLY A 83 -2.160 -1.163 13.483 1.00 0.00 C ATOM 1233 C GLY A 83 -1.312 -0.752 12.281 1.00 0.00 C ATOM 1234 O GLY A 83 -0.206 -0.241 12.455 1.00 0.00 O ATOM 0 H GLY A 83 -4.005 -2.080 13.690 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.730 -0.294 13.810 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.488 -1.428 14.299 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.813 -0.916 11.061 1.00 0.00 N ATOM 1239 CA VAL A 84 -1.007 -0.734 9.865 1.00 0.00 C ATOM 1240 C VAL A 84 -0.899 0.757 9.590 1.00 0.00 C ATOM 1241 O VAL A 84 -1.912 1.460 9.534 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.629 -1.532 8.703 1.00 0.00 C ATOM 1243 CG1 VAL A 84 -0.778 -1.458 7.430 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.800 -2.997 9.117 1.00 0.00 C ATOM 0 H VAL A 84 -2.782 -1.177 10.877 1.00 0.00 H new ATOM 0 HA VAL A 84 0.005 -1.119 9.993 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.598 -1.086 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.256 -2.035 6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.684 -0.419 7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.212 -1.867 7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.240 -3.559 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.827 -3.421 9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.455 -3.055 9.987 1.00 0.00 H new ATOM 1254 N LYS A 85 0.334 1.249 9.449 1.00 0.00 N ATOM 1255 CA LYS A 85 0.577 2.644 9.132 1.00 0.00 C ATOM 1256 C LYS A 85 0.356 2.848 7.632 1.00 0.00 C ATOM 1257 O LYS A 85 0.356 1.876 6.878 1.00 0.00 O ATOM 1258 CB LYS A 85 1.993 3.012 9.581 1.00 0.00 C ATOM 1259 CG LYS A 85 2.152 4.516 9.789 1.00 0.00 C ATOM 1260 CD LYS A 85 3.438 4.763 10.579 1.00 0.00 C ATOM 1261 CE LYS A 85 3.187 5.048 12.062 1.00 0.00 C ATOM 1262 NZ LYS A 85 2.929 3.838 12.874 1.00 0.00 N ATOM 0 H LYS A 85 1.181 0.690 9.552 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.112 3.304 9.659 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.226 2.491 10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.711 2.671 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.193 5.029 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.293 4.917 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.086 3.892 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.972 5.605 10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.051 5.570 12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.335 5.722 12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.769 4.112 13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.087 3.348 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.750 3.202 12.819 1.00 0.00 H new ATOM 1276 N VAL A 86 0.124 4.083 7.186 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.245 4.395 5.807 1.00 0.00 C ATOM 1278 C VAL A 86 0.359 5.764 5.492 1.00 0.00 C ATOM 1279 O VAL A 86 0.235 6.687 6.296 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.788 4.377 5.646 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.206 4.517 4.166 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.428 3.106 6.240 1.00 0.00 C ATOM 0 H VAL A 86 0.189 4.907 7.783 1.00 0.00 H new ATOM 0 HA VAL A 86 0.139 3.654 5.106 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.156 5.237 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.293 4.500 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.830 5.460 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.790 3.690 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.508 3.144 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.028 2.227 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.201 3.048 7.305 1.00 0.00 H new ATOM 1292 N TYR A 87 1.009 5.902 4.336 1.00 0.00 N ATOM 1293 CA TYR A 87 1.596 7.136 3.823 1.00 0.00 C ATOM 1294 C TYR A 87 0.905 7.547 2.526 1.00 0.00 C ATOM 1295 O TYR A 87 0.271 6.731 1.864 1.00 0.00 O ATOM 1296 CB TYR A 87 3.111 6.960 3.566 1.00 0.00 C ATOM 1297 CG TYR A 87 4.055 7.428 4.663 1.00 0.00 C ATOM 1298 CD1 TYR A 87 4.011 6.895 5.964 1.00 0.00 C ATOM 1299 CD2 TYR A 87 5.013 8.409 4.362 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.970 7.281 6.921 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.926 8.861 5.325 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.944 8.262 6.601 1.00 0.00 C ATOM 1303 OH TYR A 87 6.911 8.615 7.497 1.00 0.00 O ATOM 0 H TYR A 87 1.146 5.115 3.702 1.00 0.00 H new ATOM 0 HA TYR A 87 1.455 7.914 4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.303 5.903 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.364 7.494 2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.240 6.188 6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.047 8.825 3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.964 6.829 7.902 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.611 9.663 5.091 1.00 0.00 H new ATOM 0 HH TYR A 87 7.489 9.301 7.101 1.00 0.00 H new ATOM 1313 N ARG A 88 1.085 8.805 2.142 1.00 0.00 N ATOM 1314 CA ARG A 88 0.737 9.393 0.855 1.00 0.00 C ATOM 1315 C ARG A 88 1.830 9.015 -0.151 1.00 0.00 C ATOM 1316 O ARG A 88 2.973 8.841 0.252 1.00 0.00 O ATOM 1317 CB ARG A 88 0.711 10.913 1.097 1.00 0.00 C ATOM 1318 CG ARG A 88 0.573 11.878 -0.093 1.00 0.00 C ATOM 1319 CD ARG A 88 -0.780 12.593 -0.110 1.00 0.00 C ATOM 1320 NE ARG A 88 -0.723 13.755 -1.004 1.00 0.00 N ATOM 1321 CZ ARG A 88 -1.667 14.683 -1.157 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -2.856 14.562 -0.585 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -1.420 15.731 -1.930 1.00 0.00 N ATOM 0 H ARG A 88 1.509 9.490 2.768 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.219 9.048 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.114 11.119 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.630 11.174 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.372 12.619 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.700 11.324 -1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.559 11.907 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.045 12.912 0.898 1.00 0.00 H new ATOM 0 HE ARG A 88 0.123 13.863 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.066 13.744 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.562 15.286 -0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.518 15.818 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.132 16.450 -2.057 1.00 0.00 H new ATOM 1337 N PHE A 89 1.509 8.954 -1.443 1.00 0.00 N ATOM 1338 CA PHE A 89 2.437 8.926 -2.581 1.00 0.00 C ATOM 1339 C PHE A 89 1.725 9.647 -3.736 1.00 0.00 C ATOM 1340 O PHE A 89 0.583 9.310 -3.998 1.00 0.00 O ATOM 1341 CB PHE A 89 2.773 7.459 -2.916 1.00 0.00 C ATOM 1342 CG PHE A 89 2.536 7.085 -4.366 1.00 0.00 C ATOM 1343 CD1 PHE A 89 3.542 7.255 -5.333 1.00 0.00 C ATOM 1344 CD2 PHE A 89 1.232 6.728 -4.769 1.00 0.00 C ATOM 1345 CE1 PHE A 89 3.203 7.132 -6.684 1.00 0.00 C ATOM 1346 CE2 PHE A 89 0.891 6.656 -6.128 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.880 6.884 -7.096 1.00 0.00 C ATOM 0 H PHE A 89 0.535 8.921 -1.745 1.00 0.00 H new ATOM 0 HA PHE A 89 3.383 9.425 -2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.818 7.272 -2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.174 6.806 -2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.557 7.476 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.485 6.507 -4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.977 7.230 -7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.122 6.428 -6.425 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.629 6.869 -8.146 1.00 0.00 H new ATOM 1357 N GLU A 90 2.284 10.623 -4.448 1.00 0.00 N ATOM 1358 CA GLU A 90 1.463 11.483 -5.323 1.00 0.00 C ATOM 1359 C GLU A 90 2.009 11.517 -6.754 1.00 0.00 C ATOM 1360 O GLU A 90 1.929 12.522 -7.459 1.00 0.00 O ATOM 1361 CB GLU A 90 1.205 12.843 -4.656 1.00 0.00 C ATOM 1362 CG GLU A 90 2.425 13.706 -4.297 1.00 0.00 C ATOM 1363 CD GLU A 90 2.004 14.905 -3.436 1.00 0.00 C ATOM 1364 OE1 GLU A 90 1.563 14.727 -2.276 1.00 0.00 O ATOM 1365 OE2 GLU A 90 2.139 16.078 -3.850 1.00 0.00 O ATOM 0 H GLU A 90 3.280 10.842 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 90 0.470 11.050 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.566 13.426 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.639 12.666 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.157 13.104 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.909 14.058 -5.208 1.00 0.00 H new ATOM 1372 N GLY A 91 2.463 10.351 -7.214 1.00 0.00 N ATOM 1373 CA GLY A 91 2.862 10.059 -8.590 1.00 0.00 C ATOM 1374 C GLY A 91 4.313 9.588 -8.635 1.00 0.00 C ATOM 1375 O GLY A 91 5.173 10.227 -8.026 1.00 0.00 O ATOM 0 H GLY A 91 2.568 9.541 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.211 9.292 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.743 10.950 -9.207 1.00 0.00 H new ATOM 1379 N GLY A 92 4.596 8.483 -9.339 1.00 0.00 N ATOM 1380 CA GLY A 92 5.854 7.762 -9.185 1.00 0.00 C ATOM 1381 C GLY A 92 5.741 6.279 -9.540 1.00 0.00 C ATOM 1382 O GLY A 92 4.642 5.722 -9.589 1.00 0.00 O ATOM 0 H GLY A 92 3.962 8.072 -10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.611 8.225 -9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.198 7.858 -8.155 1.00 0.00 H new ATOM 1386 N THR A 93 6.883 5.633 -9.755 1.00 0.00 N ATOM 1387 CA THR A 93 7.036 4.185 -9.825 1.00 0.00 C ATOM 1388 C THR A 93 7.281 3.609 -8.435 1.00 0.00 C ATOM 1389 O THR A 93 7.464 4.378 -7.496 1.00 0.00 O ATOM 1390 CB THR A 93 8.178 3.862 -10.798 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.342 4.618 -10.508 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.726 4.138 -12.234 1.00 0.00 C ATOM 0 H THR A 93 7.765 6.127 -9.891 1.00 0.00 H new ATOM 0 HA THR A 93 6.122 3.722 -10.197 1.00 0.00 H new ATOM 0 HB THR A 93 8.428 2.807 -10.684 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.050 4.386 -11.145 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.539 3.908 -12.922 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.863 3.515 -12.470 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.453 5.188 -12.334 1.00 0.00 H new ATOM 1400 N VAL A 94 7.247 2.279 -8.259 1.00 0.00 N ATOM 1401 CA VAL A 94 7.430 1.628 -6.969 1.00 0.00 C ATOM 1402 C VAL A 94 8.595 2.269 -6.221 1.00 0.00 C ATOM 1403 O VAL A 94 8.425 2.645 -5.068 1.00 0.00 O ATOM 1404 CB VAL A 94 7.631 0.123 -7.167 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.727 -0.605 -5.828 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.589 -0.549 -8.068 1.00 0.00 C ATOM 0 H VAL A 94 7.089 1.624 -9.024 1.00 0.00 H new ATOM 0 HA VAL A 94 6.536 1.762 -6.359 1.00 0.00 H new ATOM 0 HB VAL A 94 8.579 0.037 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.869 -1.671 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.572 -0.214 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.808 -0.450 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.811 -1.613 -8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.597 -0.418 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.617 -0.095 -9.058 1.00 0.00 H new ATOM 1416 N GLN A 95 9.730 2.468 -6.892 1.00 0.00 N ATOM 1417 CA GLN A 95 10.922 3.051 -6.313 1.00 0.00 C ATOM 1418 C GLN A 95 10.710 4.430 -5.703 1.00 0.00 C ATOM 1419 O GLN A 95 11.282 4.717 -4.665 1.00 0.00 O ATOM 1420 CB GLN A 95 12.006 3.115 -7.403 1.00 0.00 C ATOM 1421 CG GLN A 95 13.428 3.248 -6.861 1.00 0.00 C ATOM 1422 CD GLN A 95 14.403 3.638 -7.971 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.807 4.796 -8.069 1.00 0.00 O ATOM 1424 NE2 GLN A 95 14.829 2.708 -8.808 1.00 0.00 N ATOM 0 H GLN A 95 9.840 2.220 -7.875 1.00 0.00 H new ATOM 0 HA GLN A 95 11.225 2.412 -5.483 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.945 2.215 -8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.798 3.961 -8.058 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.451 3.999 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.740 2.305 -6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.490 1.750 -8.721 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.497 2.948 -9.541 1.00 0.00 H new ATOM 1433 N GLU A 96 9.895 5.274 -6.316 1.00 0.00 N ATOM 1434 CA GLU A 96 9.627 6.643 -5.907 1.00 0.00 C ATOM 1435 C GLU A 96 8.900 6.620 -4.581 1.00 0.00 C ATOM 1436 O GLU A 96 9.293 7.332 -3.672 1.00 0.00 O ATOM 1437 CB GLU A 96 8.706 7.309 -6.933 1.00 0.00 C ATOM 1438 CG GLU A 96 9.339 7.531 -8.305 1.00 0.00 C ATOM 1439 CD GLU A 96 10.437 8.583 -8.310 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.118 9.786 -8.177 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.591 8.217 -8.616 1.00 0.00 O ATOM 0 H GLU A 96 9.377 5.009 -7.154 1.00 0.00 H new ATOM 0 HA GLU A 96 10.567 7.189 -5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.814 6.694 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.379 8.271 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.751 6.587 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.562 7.827 -9.010 1.00 0.00 H new ATOM 1448 N ALA A 97 7.875 5.773 -4.441 1.00 0.00 N ATOM 1449 CA ALA A 97 7.192 5.595 -3.175 1.00 0.00 C ATOM 1450 C ALA A 97 8.162 5.321 -2.020 1.00 0.00 C ATOM 1451 O ALA A 97 7.859 5.702 -0.896 1.00 0.00 O ATOM 1452 CB ALA A 97 6.145 4.491 -3.360 1.00 0.00 C ATOM 0 H ALA A 97 7.505 5.201 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 97 6.691 6.519 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.613 4.333 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.437 4.787 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.640 3.566 -3.656 1.00 0.00 H new ATOM 1458 N ILE A 98 9.309 4.691 -2.269 1.00 0.00 N ATOM 1459 CA ILE A 98 10.269 4.281 -1.247 1.00 0.00 C ATOM 1460 C ILE A 98 11.286 5.372 -1.106 1.00 0.00 C ATOM 1461 O ILE A 98 11.529 5.787 0.014 1.00 0.00 O ATOM 1462 CB ILE A 98 11.041 3.007 -1.645 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.194 2.043 -2.444 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.688 2.332 -0.422 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.857 1.659 -1.831 1.00 0.00 C ATOM 0 H ILE A 98 9.604 4.445 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 98 9.714 4.087 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 98 11.849 3.322 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.008 2.481 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.771 1.133 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.223 1.438 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.386 3.024 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.913 2.055 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.339 0.965 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.023 1.184 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.249 2.553 -1.696 1.00 0.00 H new ATOM 1477 N ASP A 99 11.893 5.812 -2.208 1.00 0.00 N ATOM 1478 CA ASP A 99 12.940 6.813 -2.188 1.00 0.00 C ATOM 1479 C ASP A 99 12.369 8.036 -1.498 1.00 0.00 C ATOM 1480 O ASP A 99 12.979 8.571 -0.573 1.00 0.00 O ATOM 1481 CB ASP A 99 13.460 7.142 -3.603 1.00 0.00 C ATOM 1482 CG ASP A 99 14.982 7.345 -3.646 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.665 7.311 -2.604 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.543 7.393 -4.769 1.00 0.00 O ATOM 0 H ASP A 99 11.664 5.476 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 99 13.808 6.438 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.186 6.335 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.967 8.044 -3.965 1.00 0.00 H new ATOM 1489 N ALA A 100 11.118 8.361 -1.844 1.00 0.00 N ATOM 1490 CA ALA A 100 10.469 9.547 -1.322 1.00 0.00 C ATOM 1491 C ALA A 100 10.206 9.372 0.176 1.00 0.00 C ATOM 1492 O ALA A 100 10.568 10.241 0.957 1.00 0.00 O ATOM 1493 CB ALA A 100 9.210 9.858 -2.136 1.00 0.00 C ATOM 0 H ALA A 100 10.543 7.813 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 100 11.119 10.416 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.729 10.751 -1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.483 10.028 -3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.520 9.016 -2.075 1.00 0.00 H new ATOM 1499 N PHE A 101 9.623 8.247 0.602 1.00 0.00 N ATOM 1500 CA PHE A 101 9.413 7.913 2.017 1.00 0.00 C ATOM 1501 C PHE A 101 10.725 7.942 2.802 1.00 0.00 C ATOM 1502 O PHE A 101 10.796 8.480 3.907 1.00 0.00 O ATOM 1503 CB PHE A 101 8.724 6.534 2.100 1.00 0.00 C ATOM 1504 CG PHE A 101 9.138 5.593 3.219 1.00 0.00 C ATOM 1505 CD1 PHE A 101 10.310 4.822 3.075 1.00 0.00 C ATOM 1506 CD2 PHE A 101 8.354 5.441 4.376 1.00 0.00 C ATOM 1507 CE1 PHE A 101 10.775 4.017 4.124 1.00 0.00 C ATOM 1508 CE2 PHE A 101 8.805 4.604 5.412 1.00 0.00 C ATOM 1509 CZ PHE A 101 10.023 3.918 5.303 1.00 0.00 C ATOM 0 H PHE A 101 9.278 7.530 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 101 8.770 8.663 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.651 6.702 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 101 8.891 6.020 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 101 10.857 4.852 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.413 5.963 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 101 11.705 3.477 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.206 4.488 6.303 1.00 0.00 H new ATOM 0 HZ PHE A 101 10.381 3.315 6.125 1.00 0.00 H new ATOM 1519 N SER A 102 11.755 7.339 2.225 1.00 0.00 N ATOM 1520 CA SER A 102 13.022 7.077 2.874 1.00 0.00 C ATOM 1521 C SER A 102 13.740 8.390 3.133 1.00 0.00 C ATOM 1522 O SER A 102 14.399 8.545 4.161 1.00 0.00 O ATOM 1523 CB SER A 102 13.823 6.071 2.037 1.00 0.00 C ATOM 1524 OG SER A 102 14.341 6.549 0.811 1.00 0.00 O ATOM 0 H SER A 102 11.726 7.010 1.260 1.00 0.00 H new ATOM 0 HA SER A 102 12.880 6.614 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.654 5.708 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.183 5.214 1.827 1.00 0.00 H new ATOM 0 HG SER A 102 13.778 7.280 0.481 1.00 0.00 H new ATOM 1530 N GLU A 103 13.515 9.363 2.253 1.00 0.00 N ATOM 1531 CA GLU A 103 14.023 10.708 2.377 1.00 0.00 C ATOM 1532 C GLU A 103 12.877 11.625 2.784 1.00 0.00 C ATOM 1533 O GLU A 103 12.882 12.810 2.462 1.00 0.00 O ATOM 1534 CB GLU A 103 14.567 11.060 0.982 1.00 0.00 C ATOM 1535 CG GLU A 103 15.765 10.179 0.577 1.00 0.00 C ATOM 1536 CD GLU A 103 17.060 10.958 0.771 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.285 11.532 1.865 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.791 11.165 -0.222 1.00 0.00 O ATOM 0 H GLU A 103 12.956 9.223 1.412 1.00 0.00 H new ATOM 0 HA GLU A 103 14.803 10.813 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.771 10.947 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.869 12.107 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.781 9.271 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.667 9.870 -0.464 1.00 0.00 H new ATOM 1545 N GLY A 104 11.973 11.125 3.628 1.00 0.00 N ATOM 1546 CA GLY A 104 10.909 11.855 4.288 1.00 0.00 C ATOM 1547 C GLY A 104 10.048 12.760 3.406 1.00 0.00 C ATOM 1548 O GLY A 104 9.254 13.538 3.943 1.00 0.00 O ATOM 0 H GLY A 104 11.971 10.136 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.254 11.134 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.352 12.467 5.073 1.00 0.00 H new ATOM 1552 N ARG A 105 10.129 12.675 2.077 1.00 0.00 N ATOM 1553 CA ARG A 105 9.396 13.522 1.150 1.00 0.00 C ATOM 1554 C ARG A 105 8.007 12.967 0.885 1.00 0.00 C ATOM 1555 O ARG A 105 7.462 13.198 -0.196 1.00 0.00 O ATOM 1556 CB ARG A 105 10.118 13.512 -0.209 1.00 0.00 C ATOM 1557 CG ARG A 105 11.599 13.916 -0.174 1.00 0.00 C ATOM 1558 CD ARG A 105 12.106 14.383 -1.541 1.00 0.00 C ATOM 1559 NE ARG A 105 11.497 15.662 -1.935 1.00 0.00 N ATOM 1560 CZ ARG A 105 11.785 16.857 -1.411 1.00 0.00 C ATOM 1561 NH1 ARG A 105 12.770 17.014 -0.532 1.00 0.00 N ATOM 1562 NH2 ARG A 105 11.062 17.900 -1.781 1.00 0.00 N ATOM 0 H ARG A 105 10.725 11.993 1.608 1.00 0.00 H new ATOM 0 HA ARG A 105 9.335 14.518 1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.042 12.511 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.592 14.185 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.738 14.714 0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.197 13.069 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.190 14.489 -1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.881 13.625 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 105 10.793 15.635 -2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.327 16.211 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 105 12.968 17.938 -0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.303 17.782 -2.453 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.263 18.822 -1.395 1.00 0.00 H new ATOM 1576 N LEU A 106 7.353 12.377 1.878 1.00 0.00 N ATOM 1577 CA LEU A 106 5.994 11.901 1.743 1.00 0.00 C ATOM 1578 C LEU A 106 5.250 12.232 3.039 1.00 0.00 C ATOM 1579 O LEU A 106 5.850 12.711 4.007 1.00 0.00 O ATOM 1580 CB LEU A 106 5.975 10.386 1.439 1.00 0.00 C ATOM 1581 CG LEU A 106 6.443 9.955 0.037 1.00 0.00 C ATOM 1582 CD1 LEU A 106 6.284 8.440 -0.120 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.633 10.607 -1.091 1.00 0.00 C ATOM 0 H LEU A 106 7.757 12.218 2.801 1.00 0.00 H new ATOM 0 HA LEU A 106 5.497 12.391 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.601 9.883 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.958 10.023 1.585 1.00 0.00 H new ATOM 0 HG LEU A 106 7.483 10.271 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.617 8.140 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.886 7.931 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.236 8.169 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.010 10.264 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.583 10.330 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.729 11.691 -1.028 1.00 0.00 H new ATOM 1595 N GLU A 107 3.952 11.957 3.085 1.00 0.00 N ATOM 1596 CA GLU A 107 3.086 12.321 4.203 1.00 0.00 C ATOM 1597 C GLU A 107 2.604 11.041 4.857 1.00 0.00 C ATOM 1598 O GLU A 107 2.508 10.028 4.170 1.00 0.00 O ATOM 1599 CB GLU A 107 1.850 13.109 3.730 1.00 0.00 C ATOM 1600 CG GLU A 107 2.081 14.155 2.635 1.00 0.00 C ATOM 1601 CD GLU A 107 2.560 15.476 3.223 1.00 0.00 C ATOM 1602 OE1 GLU A 107 3.742 15.571 3.626 1.00 0.00 O ATOM 1603 OE2 GLU A 107 1.774 16.449 3.256 1.00 0.00 O ATOM 0 H GLU A 107 3.463 11.467 2.336 1.00 0.00 H new ATOM 0 HA GLU A 107 3.653 12.947 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.109 12.396 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.415 13.611 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.818 13.783 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.156 14.315 2.081 1.00 0.00 H new ATOM 1610 N GLU A 108 2.152 11.098 6.102 1.00 0.00 N ATOM 1611 CA GLU A 108 1.330 10.052 6.672 1.00 0.00 C ATOM 1612 C GLU A 108 -0.069 10.321 6.109 1.00 0.00 C ATOM 1613 O GLU A 108 -0.480 11.480 5.972 1.00 0.00 O ATOM 1614 CB GLU A 108 1.470 10.141 8.206 1.00 0.00 C ATOM 1615 CG GLU A 108 1.223 8.848 8.989 1.00 0.00 C ATOM 1616 CD GLU A 108 1.426 9.063 10.503 1.00 0.00 C ATOM 1617 OE1 GLU A 108 0.564 9.676 11.176 1.00 0.00 O ATOM 1618 OE2 GLU A 108 2.445 8.595 11.069 1.00 0.00 O ATOM 0 H GLU A 108 2.347 11.870 6.740 1.00 0.00 H new ATOM 0 HA GLU A 108 1.603 9.027 6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.475 10.494 8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.775 10.898 8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.209 8.495 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.901 8.071 8.636 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.770 9.267 5.694 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.155 9.307 5.255 1.00 0.00 C ATOM 1627 C LEU A 109 -2.964 8.385 6.154 1.00 0.00 C ATOM 1628 O LEU A 109 -3.603 7.436 5.697 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.289 8.965 3.770 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.710 9.278 3.257 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.934 10.752 2.935 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -3.995 8.483 1.999 1.00 0.00 C ATOM 0 H LEU A 109 -0.370 8.330 5.655 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.549 10.319 5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.558 9.533 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.067 7.909 3.615 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.382 9.004 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.955 10.896 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.774 11.349 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.233 11.066 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.000 8.711 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.270 8.748 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.920 7.418 2.217 1.00 0.00 H new