USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 666 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 17 TYR OH : rot 3:sc= -0.463 USER MOD Set 1.2: A 33 HIS : no HD1:sc= 0.275 K(o=-0.19,f=-1.8) USER MOD Single : A 3 SER OG : rot 26:sc= 0.235 USER MOD Single : A 6 TYR OH : rot -30:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.8! C(o=-5.8!,f=-2.9!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.497 K(o=-0.5,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0705 X(o=-0.071,f=-0.00075) USER MOD Single : A 32 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.3!) USER MOD Single : A 34 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-2.3!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0679) USER MOD Single : A 52 THR OG1 : rot 165:sc= 0.0417 USER MOD Single : A 56 ASN : amide:sc= -0.989 K(o=-0.99,f=-0.049) USER MOD Single : A 64 GLN : amide:sc= -1.58 K(o=-1.6,f=-2.5) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 54:sc= -2! USER MOD Single : A 76 ASN : amide:sc= -0.808 K(o=-0.81,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 3 -1.883 14.818 2.023 1.00 0.00 N ATOM 32 CA SER A 3 -2.293 13.912 0.913 1.00 0.00 C ATOM 33 C SER A 3 -1.296 12.757 0.789 1.00 0.00 C ATOM 34 O SER A 3 -1.029 12.273 -0.292 1.00 0.00 O ATOM 35 CB SER A 3 -2.323 14.697 -0.399 1.00 0.00 C ATOM 36 OG SER A 3 -3.108 15.869 -0.228 1.00 0.00 O ATOM 0 HA SER A 3 -3.284 13.511 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.310 14.965 -0.699 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.739 14.080 -1.196 1.00 0.00 H new ATOM 0 HG SER A 3 -3.107 16.128 0.717 1.00 0.00 H new ATOM 42 N LEU A 4 -0.743 12.307 1.884 1.00 0.00 N ATOM 43 CA LEU A 4 0.231 11.185 1.812 1.00 0.00 C ATOM 44 C LEU A 4 -0.252 10.026 2.685 1.00 0.00 C ATOM 45 O LEU A 4 -1.178 10.161 3.459 1.00 0.00 O ATOM 46 CB LEU A 4 1.594 11.661 2.309 1.00 0.00 C ATOM 47 CG LEU A 4 1.403 12.600 3.498 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.524 12.368 4.511 1.00 0.00 C ATOM 49 CD2 LEU A 4 1.446 14.050 3.011 1.00 0.00 C ATOM 0 H LEU A 4 -0.924 12.668 2.821 1.00 0.00 H new ATOM 0 HA LEU A 4 0.316 10.848 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.205 10.807 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.126 12.175 1.508 1.00 0.00 H new ATOM 0 HG LEU A 4 0.440 12.404 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.390 13.037 5.361 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.495 11.334 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.487 12.567 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.310 14.722 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.410 14.248 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.649 14.214 2.286 1.00 0.00 H new ATOM 61 N VAL A 5 0.362 8.882 2.554 1.00 0.00 N ATOM 62 CA VAL A 5 -0.062 7.710 3.355 1.00 0.00 C ATOM 63 C VAL A 5 1.162 7.031 3.976 1.00 0.00 C ATOM 64 O VAL A 5 2.285 7.461 3.797 1.00 0.00 O ATOM 65 CB VAL A 5 -0.787 6.724 2.431 1.00 0.00 C ATOM 66 CG1 VAL A 5 -1.548 7.496 1.355 1.00 0.00 C ATOM 67 CG2 VAL A 5 0.216 5.781 1.752 1.00 0.00 C ATOM 0 H VAL A 5 1.144 8.713 1.921 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.728 8.031 4.156 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.480 6.135 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.063 6.794 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.278 8.154 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.847 8.092 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.318 5.089 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.921 6.365 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.758 5.218 2.512 1.00 0.00 H new ATOM 77 N TYR A 6 0.949 5.959 4.686 1.00 0.00 N ATOM 78 CA TYR A 6 2.087 5.230 5.303 1.00 0.00 C ATOM 79 C TYR A 6 1.725 3.744 5.385 1.00 0.00 C ATOM 80 O TYR A 6 0.598 3.385 5.640 1.00 0.00 O ATOM 81 CB TYR A 6 2.357 5.794 6.703 1.00 0.00 C ATOM 82 CG TYR A 6 3.074 4.768 7.551 1.00 0.00 C ATOM 83 CD1 TYR A 6 2.348 3.739 8.164 1.00 0.00 C ATOM 84 CD2 TYR A 6 4.462 4.843 7.721 1.00 0.00 C ATOM 85 CE1 TYR A 6 3.009 2.787 8.947 1.00 0.00 C ATOM 86 CE2 TYR A 6 5.123 3.890 8.504 1.00 0.00 C ATOM 87 CZ TYR A 6 4.397 2.861 9.117 1.00 0.00 C ATOM 88 OH TYR A 6 5.049 1.922 9.889 1.00 0.00 O ATOM 0 H TYR A 6 0.030 5.556 4.865 1.00 0.00 H new ATOM 0 HA TYR A 6 2.988 5.352 4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.959 6.699 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.417 6.075 7.177 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.278 3.681 8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.022 5.636 7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.449 1.995 9.421 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.193 3.948 8.636 1.00 0.00 H new ATOM 0 HH TYR A 6 4.447 1.602 10.593 1.00 0.00 H new ATOM 98 N ILE A 7 2.672 2.883 5.163 1.00 0.00 N ATOM 99 CA ILE A 7 2.394 1.420 5.224 1.00 0.00 C ATOM 100 C ILE A 7 3.725 0.699 5.402 1.00 0.00 C ATOM 101 O ILE A 7 4.761 1.240 5.092 1.00 0.00 O ATOM 102 CB ILE A 7 1.738 0.960 3.914 1.00 0.00 C ATOM 103 CG1 ILE A 7 2.775 0.976 2.789 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.586 1.897 3.543 1.00 0.00 C ATOM 105 CD1 ILE A 7 3.362 -0.426 2.615 1.00 0.00 C ATOM 0 H ILE A 7 3.636 3.129 4.940 1.00 0.00 H new ATOM 0 HA ILE A 7 1.720 1.197 6.052 1.00 0.00 H new ATOM 0 HB ILE A 7 1.352 -0.050 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.313 1.306 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.568 1.687 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.129 1.561 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.160 1.889 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.968 2.910 3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.101 -0.414 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.839 -0.738 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.565 -1.126 2.364 1.00 0.00 H new ATOM 117 N ALA A 8 3.727 -0.506 5.896 1.00 0.00 N ATOM 118 CA ALA A 8 5.029 -1.210 6.068 1.00 0.00 C ATOM 119 C ALA A 8 4.792 -2.715 6.157 1.00 0.00 C ATOM 120 O ALA A 8 3.791 -3.167 6.669 1.00 0.00 O ATOM 121 CB ALA A 8 5.714 -0.711 7.341 1.00 0.00 C ATOM 0 H ALA A 8 2.899 -1.028 6.184 1.00 0.00 H new ATOM 0 HA ALA A 8 5.671 -1.003 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.666 -1.226 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.889 0.362 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.075 -0.913 8.201 1.00 0.00 H new ATOM 127 N PHE A 9 5.696 -3.497 5.643 1.00 0.00 N ATOM 128 CA PHE A 9 5.510 -4.962 5.682 1.00 0.00 C ATOM 129 C PHE A 9 6.864 -5.644 5.862 1.00 0.00 C ATOM 130 O PHE A 9 7.869 -5.004 6.104 1.00 0.00 O ATOM 131 CB PHE A 9 4.901 -5.404 4.359 1.00 0.00 C ATOM 132 CG PHE A 9 5.715 -4.839 3.227 1.00 0.00 C ATOM 133 CD1 PHE A 9 5.721 -3.463 2.987 1.00 0.00 C ATOM 134 CD2 PHE A 9 6.471 -5.695 2.423 1.00 0.00 C ATOM 135 CE1 PHE A 9 6.485 -2.940 1.941 1.00 0.00 C ATOM 136 CE2 PHE A 9 7.235 -5.176 1.376 1.00 0.00 C ATOM 137 CZ PHE A 9 7.244 -3.796 1.133 1.00 0.00 C ATOM 0 H PHE A 9 6.557 -3.179 5.197 1.00 0.00 H new ATOM 0 HA PHE A 9 4.857 -5.233 6.511 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.880 -6.492 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.869 -5.061 4.287 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.135 -2.804 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.465 -6.758 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.490 -1.876 1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.819 -5.838 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.835 -3.393 0.324 1.00 0.00 H new ATOM 147 N GLN A 10 6.896 -6.940 5.740 1.00 0.00 N ATOM 148 CA GLN A 10 8.186 -7.673 5.897 1.00 0.00 C ATOM 149 C GLN A 10 8.165 -8.918 5.011 1.00 0.00 C ATOM 150 O GLN A 10 7.600 -9.934 5.365 1.00 0.00 O ATOM 151 CB GLN A 10 8.380 -8.083 7.361 1.00 0.00 C ATOM 152 CG GLN A 10 9.864 -8.343 7.631 1.00 0.00 C ATOM 153 CD GLN A 10 10.261 -9.711 7.076 1.00 0.00 C ATOM 154 OE1 GLN A 10 10.325 -10.681 7.805 1.00 0.00 O ATOM 155 NE2 GLN A 10 10.534 -9.829 5.806 1.00 0.00 N ATOM 0 H GLN A 10 6.086 -7.526 5.538 1.00 0.00 H new ATOM 0 HA GLN A 10 9.011 -7.025 5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.013 -7.297 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.798 -8.979 7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.469 -7.563 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.060 -8.305 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.480 -9.014 5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.801 -10.736 5.424 1.00 0.00 H new ATOM 164 N ASP A 11 8.774 -8.839 3.858 1.00 0.00 N ATOM 165 CA ASP A 11 8.794 -10.009 2.934 1.00 0.00 C ATOM 166 C ASP A 11 10.205 -10.607 2.895 1.00 0.00 C ATOM 167 O ASP A 11 11.187 -9.896 2.826 1.00 0.00 O ATOM 168 CB ASP A 11 8.396 -9.548 1.529 1.00 0.00 C ATOM 169 CG ASP A 11 8.412 -10.740 0.570 1.00 0.00 C ATOM 170 OD1 ASP A 11 7.613 -11.641 0.761 1.00 0.00 O ATOM 171 OD2 ASP A 11 9.222 -10.729 -0.343 1.00 0.00 O ATOM 0 H ASP A 11 9.260 -8.011 3.515 1.00 0.00 H new ATOM 0 HA ASP A 11 8.091 -10.765 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.403 -9.100 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.085 -8.779 1.180 1.00 0.00 H new ATOM 176 N ASN A 12 10.314 -11.908 2.936 1.00 0.00 N ATOM 177 CA ASN A 12 11.664 -12.542 2.898 1.00 0.00 C ATOM 178 C ASN A 12 12.257 -12.398 1.499 1.00 0.00 C ATOM 179 O ASN A 12 13.456 -12.288 1.334 1.00 0.00 O ATOM 180 CB ASN A 12 11.547 -14.026 3.252 1.00 0.00 C ATOM 181 CG ASN A 12 12.886 -14.526 3.799 1.00 0.00 C ATOM 182 OD1 ASN A 12 13.857 -14.615 3.074 1.00 0.00 O ATOM 183 ND2 ASN A 12 12.980 -14.859 5.058 1.00 0.00 N ATOM 0 H ASN A 12 9.530 -12.557 2.994 1.00 0.00 H new ATOM 0 HA ASN A 12 12.314 -12.048 3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.761 -14.173 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.265 -14.600 2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.868 -15.193 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 12 12.165 -14.785 5.667 1.00 0.00 H new ATOM 190 N ASP A 13 11.435 -12.388 0.488 1.00 0.00 N ATOM 191 CA ASP A 13 11.969 -12.241 -0.884 1.00 0.00 C ATOM 192 C ASP A 13 12.767 -10.945 -0.958 1.00 0.00 C ATOM 193 O ASP A 13 12.215 -9.863 -0.986 1.00 0.00 O ATOM 194 CB ASP A 13 10.813 -12.198 -1.887 1.00 0.00 C ATOM 195 CG ASP A 13 11.129 -13.114 -3.071 1.00 0.00 C ATOM 196 OD1 ASP A 13 12.190 -13.717 -3.063 1.00 0.00 O ATOM 197 OD2 ASP A 13 10.305 -13.198 -3.967 1.00 0.00 O ATOM 0 H ASP A 13 10.421 -12.475 0.556 1.00 0.00 H new ATOM 0 HA ASP A 13 12.612 -13.087 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.888 -12.515 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.658 -11.177 -2.235 1.00 0.00 H new ATOM 202 N ASN A 14 14.064 -11.046 -0.995 1.00 0.00 N ATOM 203 CA ASN A 14 14.901 -9.823 -1.073 1.00 0.00 C ATOM 204 C ASN A 14 14.552 -9.071 -2.355 1.00 0.00 C ATOM 205 O ASN A 14 14.947 -7.938 -2.549 1.00 0.00 O ATOM 206 CB ASN A 14 16.380 -10.214 -1.093 1.00 0.00 C ATOM 207 CG ASN A 14 17.156 -9.321 -0.123 1.00 0.00 C ATOM 208 OD1 ASN A 14 17.654 -8.280 -0.504 1.00 0.00 O ATOM 209 ND2 ASN A 14 17.279 -9.684 1.125 1.00 0.00 N ATOM 0 H ASN A 14 14.580 -11.925 -0.974 1.00 0.00 H new ATOM 0 HA ASN A 14 14.713 -9.188 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.494 -11.261 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.781 -10.109 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 14 17.793 -9.094 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 14 16.861 -10.558 1.446 1.00 0.00 H new ATOM 216 N ALA A 15 13.811 -9.692 -3.234 1.00 0.00 N ATOM 217 CA ALA A 15 13.442 -9.004 -4.496 1.00 0.00 C ATOM 218 C ALA A 15 12.795 -7.663 -4.161 1.00 0.00 C ATOM 219 O ALA A 15 12.916 -6.699 -4.892 1.00 0.00 O ATOM 220 CB ALA A 15 12.460 -9.868 -5.289 1.00 0.00 C ATOM 0 H ALA A 15 13.449 -10.640 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 15 14.335 -8.840 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.192 -9.358 -6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.925 -10.826 -5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.562 -10.037 -4.695 1.00 0.00 H new ATOM 226 N ARG A 16 12.115 -7.595 -3.053 1.00 0.00 N ATOM 227 CA ARG A 16 11.464 -6.321 -2.655 1.00 0.00 C ATOM 228 C ARG A 16 12.544 -5.289 -2.328 1.00 0.00 C ATOM 229 O ARG A 16 12.478 -4.151 -2.751 1.00 0.00 O ATOM 230 CB ARG A 16 10.604 -6.565 -1.418 1.00 0.00 C ATOM 231 CG ARG A 16 9.445 -7.500 -1.774 1.00 0.00 C ATOM 232 CD ARG A 16 8.362 -6.717 -2.515 1.00 0.00 C ATOM 233 NE ARG A 16 7.066 -6.832 -1.776 1.00 0.00 N ATOM 234 CZ ARG A 16 6.615 -7.993 -1.369 1.00 0.00 C ATOM 235 NH1 ARG A 16 7.179 -9.107 -1.758 1.00 0.00 N ATOM 236 NH2 ARG A 16 5.552 -8.039 -0.614 1.00 0.00 N ATOM 0 H ARG A 16 11.982 -8.371 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 16 10.839 -5.952 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.208 -7.004 -0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.218 -5.619 -1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.804 -8.320 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.031 -7.944 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.651 -5.670 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.250 -7.102 -3.529 1.00 0.00 H new ATOM 0 HE ARG A 16 6.523 -5.990 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.982 -9.080 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.816 -10.003 -1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.079 -7.176 -0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.193 -8.938 -0.292 1.00 0.00 H new ATOM 250 N TYR A 17 13.541 -5.680 -1.582 1.00 0.00 N ATOM 251 CA TYR A 17 14.627 -4.725 -1.231 1.00 0.00 C ATOM 252 C TYR A 17 15.200 -4.121 -2.514 1.00 0.00 C ATOM 253 O TYR A 17 15.415 -2.929 -2.608 1.00 0.00 O ATOM 254 CB TYR A 17 15.731 -5.463 -0.471 1.00 0.00 C ATOM 255 CG TYR A 17 16.014 -4.741 0.824 1.00 0.00 C ATOM 256 CD1 TYR A 17 16.581 -3.462 0.799 1.00 0.00 C ATOM 257 CD2 TYR A 17 15.710 -5.349 2.047 1.00 0.00 C ATOM 258 CE1 TYR A 17 16.844 -2.790 1.999 1.00 0.00 C ATOM 259 CE2 TYR A 17 15.973 -4.678 3.247 1.00 0.00 C ATOM 260 CZ TYR A 17 16.541 -3.397 3.223 1.00 0.00 C ATOM 261 OH TYR A 17 16.801 -2.735 4.406 1.00 0.00 O ATOM 0 H TYR A 17 13.649 -6.620 -1.201 1.00 0.00 H new ATOM 0 HA TYR A 17 14.228 -3.930 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.425 -6.490 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.635 -5.513 -1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.816 -2.993 -0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.272 -6.336 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.281 -1.803 1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.738 -5.147 4.191 1.00 0.00 H new ATOM 0 HH TYR A 17 17.151 -1.841 4.210 1.00 0.00 H new ATOM 271 N VAL A 18 15.439 -4.933 -3.509 1.00 0.00 N ATOM 272 CA VAL A 18 15.986 -4.398 -4.786 1.00 0.00 C ATOM 273 C VAL A 18 15.065 -3.286 -5.290 1.00 0.00 C ATOM 274 O VAL A 18 15.468 -2.148 -5.431 1.00 0.00 O ATOM 275 CB VAL A 18 16.053 -5.520 -5.825 1.00 0.00 C ATOM 276 CG1 VAL A 18 16.273 -4.921 -7.217 1.00 0.00 C ATOM 277 CG2 VAL A 18 17.214 -6.458 -5.486 1.00 0.00 C ATOM 0 H VAL A 18 15.279 -5.940 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 18 16.989 -4.002 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 18 15.117 -6.078 -5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 18 16.320 -5.722 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 18 15.447 -4.252 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.208 -4.361 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 18 17.263 -7.258 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.149 -5.898 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 18 17.058 -6.887 -4.496 1.00 0.00 H new ATOM 287 N VAL A 19 13.827 -3.603 -5.552 1.00 0.00 N ATOM 288 CA VAL A 19 12.884 -2.557 -6.035 1.00 0.00 C ATOM 289 C VAL A 19 12.916 -1.376 -5.064 1.00 0.00 C ATOM 290 O VAL A 19 12.592 -0.259 -5.417 1.00 0.00 O ATOM 291 CB VAL A 19 11.467 -3.129 -6.096 1.00 0.00 C ATOM 292 CG1 VAL A 19 10.499 -2.043 -6.568 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.434 -4.302 -7.078 1.00 0.00 C ATOM 0 H VAL A 19 13.429 -4.537 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 19 13.179 -2.227 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 19 11.171 -3.474 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.489 -2.450 -6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.523 -1.206 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.794 -1.698 -7.559 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.425 -4.711 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.729 -3.956 -8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.125 -5.076 -6.743 1.00 0.00 H new ATOM 303 N GLU A 20 13.309 -1.616 -3.842 1.00 0.00 N ATOM 304 CA GLU A 20 13.369 -0.511 -2.846 1.00 0.00 C ATOM 305 C GLU A 20 14.474 0.468 -3.247 1.00 0.00 C ATOM 306 O GLU A 20 14.247 1.654 -3.388 1.00 0.00 O ATOM 307 CB GLU A 20 13.675 -1.089 -1.462 1.00 0.00 C ATOM 308 CG GLU A 20 12.893 -0.314 -0.400 1.00 0.00 C ATOM 309 CD GLU A 20 11.639 -1.100 -0.013 1.00 0.00 C ATOM 310 OE1 GLU A 20 10.995 -1.626 -0.906 1.00 0.00 O ATOM 311 OE2 GLU A 20 11.344 -1.163 1.169 1.00 0.00 O ATOM 0 H GLU A 20 13.591 -2.531 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 20 12.412 0.010 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.405 -2.145 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.744 -1.027 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.517 -0.150 0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.616 0.668 -0.782 1.00 0.00 H new ATOM 318 N ALA A 21 15.670 -0.020 -3.435 1.00 0.00 N ATOM 319 CA ALA A 21 16.786 0.882 -3.830 1.00 0.00 C ATOM 320 C ALA A 21 16.382 1.670 -5.077 1.00 0.00 C ATOM 321 O ALA A 21 16.733 2.822 -5.237 1.00 0.00 O ATOM 322 CB ALA A 21 18.034 0.049 -4.130 1.00 0.00 C ATOM 0 H ALA A 21 15.921 -1.003 -3.332 1.00 0.00 H new ATOM 0 HA ALA A 21 17.002 1.575 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.851 0.709 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.319 -0.513 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.822 -0.644 -4.944 1.00 0.00 H new ATOM 328 N ILE A 22 15.640 1.060 -5.962 1.00 0.00 N ATOM 329 CA ILE A 22 15.212 1.781 -7.192 1.00 0.00 C ATOM 330 C ILE A 22 14.299 2.944 -6.801 1.00 0.00 C ATOM 331 O ILE A 22 14.443 4.050 -7.284 1.00 0.00 O ATOM 332 CB ILE A 22 14.452 0.824 -8.112 1.00 0.00 C ATOM 333 CG1 ILE A 22 15.304 -0.422 -8.365 1.00 0.00 C ATOM 334 CG2 ILE A 22 14.164 1.520 -9.443 1.00 0.00 C ATOM 335 CD1 ILE A 22 14.473 -1.462 -9.118 1.00 0.00 C ATOM 0 H ILE A 22 15.313 0.097 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 22 16.089 2.161 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 22 13.513 0.535 -7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.189 -0.159 -8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 22 15.653 -0.835 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.622 0.839 -10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.560 2.410 -9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.104 1.808 -9.914 1.00 0.00 H new ATOM 0 HD11 ILE A 22 15.079 -2.350 -9.299 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.602 -1.732 -8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.146 -1.046 -10.071 1.00 0.00 H new ATOM 347 N ILE A 23 13.363 2.704 -5.924 1.00 0.00 N ATOM 348 CA ILE A 23 12.446 3.798 -5.498 1.00 0.00 C ATOM 349 C ILE A 23 13.275 5.009 -5.071 1.00 0.00 C ATOM 350 O ILE A 23 13.020 6.123 -5.485 1.00 0.00 O ATOM 351 CB ILE A 23 11.589 3.319 -4.325 1.00 0.00 C ATOM 352 CG1 ILE A 23 10.641 2.218 -4.804 1.00 0.00 C ATOM 353 CG2 ILE A 23 10.771 4.489 -3.776 1.00 0.00 C ATOM 354 CD1 ILE A 23 9.941 1.585 -3.599 1.00 0.00 C ATOM 0 H ILE A 23 13.194 1.799 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 23 11.795 4.076 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 23 12.236 2.929 -3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.903 2.633 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.197 1.459 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.161 4.146 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.444 5.275 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.124 4.881 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.266 0.801 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.686 1.156 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.372 2.347 -3.067 1.00 0.00 H new ATOM 366 N GLN A 24 14.271 4.803 -4.255 1.00 0.00 N ATOM 367 CA GLN A 24 15.115 5.949 -3.820 1.00 0.00 C ATOM 368 C GLN A 24 15.814 6.531 -5.046 1.00 0.00 C ATOM 369 O GLN A 24 16.066 7.717 -5.124 1.00 0.00 O ATOM 370 CB GLN A 24 16.160 5.468 -2.809 1.00 0.00 C ATOM 371 CG GLN A 24 16.010 6.255 -1.506 1.00 0.00 C ATOM 372 CD GLN A 24 17.364 6.845 -1.106 1.00 0.00 C ATOM 373 OE1 GLN A 24 18.373 6.544 -1.712 1.00 0.00 O ATOM 374 NE2 GLN A 24 17.431 7.677 -0.102 1.00 0.00 N ATOM 0 H GLN A 24 14.536 3.895 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 24 14.494 6.711 -3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 24 16.034 4.402 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 24 17.163 5.603 -3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.277 7.052 -1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.638 5.603 -0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 24 16.585 7.931 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 24 18.330 8.073 0.173 1.00 0.00 H new ATOM 383 N ASP A 25 16.112 5.710 -6.017 1.00 0.00 N ATOM 384 CA ASP A 25 16.773 6.231 -7.242 1.00 0.00 C ATOM 385 C ASP A 25 15.978 7.437 -7.733 1.00 0.00 C ATOM 386 O ASP A 25 16.523 8.379 -8.274 1.00 0.00 O ATOM 387 CB ASP A 25 16.788 5.149 -8.325 1.00 0.00 C ATOM 388 CG ASP A 25 18.103 5.224 -9.102 1.00 0.00 C ATOM 389 OD1 ASP A 25 18.429 6.301 -9.574 1.00 0.00 O ATOM 390 OD2 ASP A 25 18.764 4.204 -9.211 1.00 0.00 O ATOM 0 H ASP A 25 15.927 4.707 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 25 17.801 6.518 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.677 4.164 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 25 15.945 5.285 -9.002 1.00 0.00 H new ATOM 395 N ASN A 26 14.688 7.417 -7.530 1.00 0.00 N ATOM 396 CA ASN A 26 13.848 8.563 -7.964 1.00 0.00 C ATOM 397 C ASN A 26 13.962 9.680 -6.926 1.00 0.00 C ATOM 398 O ASN A 26 13.936 9.423 -5.738 1.00 0.00 O ATOM 399 CB ASN A 26 12.390 8.112 -8.067 1.00 0.00 C ATOM 400 CG ASN A 26 12.287 6.921 -9.022 1.00 0.00 C ATOM 401 OD1 ASN A 26 12.112 7.095 -10.212 1.00 0.00 O ATOM 402 ND2 ASN A 26 12.388 5.710 -8.548 1.00 0.00 N ATOM 0 H ASN A 26 14.182 6.654 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 26 14.185 8.924 -8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.014 7.835 -7.082 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.769 8.933 -8.425 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.320 4.909 -9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.535 5.564 -7.549 1.00 0.00 H new ATOM 409 N PRO A 27 14.081 10.887 -7.405 1.00 0.00 N ATOM 410 CA PRO A 27 14.191 12.017 -6.456 1.00 0.00 C ATOM 411 C PRO A 27 12.794 12.465 -6.018 1.00 0.00 C ATOM 412 O PRO A 27 12.493 13.641 -5.978 1.00 0.00 O ATOM 413 CB PRO A 27 14.893 13.141 -7.227 1.00 0.00 C ATOM 414 CG PRO A 27 15.161 12.628 -8.657 1.00 0.00 C ATOM 415 CD PRO A 27 14.641 11.187 -8.739 1.00 0.00 C ATOM 0 HA PRO A 27 14.745 11.743 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.271 14.035 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 27 15.827 13.416 -6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.658 13.259 -9.390 1.00 0.00 H new ATOM 0 HG3 PRO A 27 16.227 12.664 -8.883 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.881 11.089 -9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.444 10.495 -8.991 1.00 0.00 H new ATOM 423 N HIS A 28 11.937 11.534 -5.696 1.00 0.00 N ATOM 424 CA HIS A 28 10.563 11.902 -5.272 1.00 0.00 C ATOM 425 C HIS A 28 10.031 10.838 -4.314 1.00 0.00 C ATOM 426 O HIS A 28 9.604 11.132 -3.215 1.00 0.00 O ATOM 427 CB HIS A 28 9.670 11.962 -6.505 1.00 0.00 C ATOM 428 CG HIS A 28 8.499 12.868 -6.240 1.00 0.00 C ATOM 429 ND1 HIS A 28 8.047 13.785 -7.176 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.676 13.009 -5.150 1.00 0.00 C ATOM 431 CE1 HIS A 28 6.997 14.432 -6.636 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.729 13.997 -5.402 1.00 0.00 N ATOM 0 H HIS A 28 12.133 10.533 -5.710 1.00 0.00 H new ATOM 0 HA HIS A 28 10.572 12.870 -4.772 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.239 12.328 -7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.318 10.962 -6.760 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.752 12.439 -4.236 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.439 15.208 -7.139 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.989 14.320 -4.778 1.00 0.00 H new ATOM 440 N ALA A 29 10.057 9.600 -4.723 1.00 0.00 N ATOM 441 CA ALA A 29 9.557 8.515 -3.836 1.00 0.00 C ATOM 442 C ALA A 29 10.435 8.447 -2.586 1.00 0.00 C ATOM 443 O ALA A 29 11.641 8.579 -2.658 1.00 0.00 O ATOM 444 CB ALA A 29 9.620 7.181 -4.581 1.00 0.00 C ATOM 0 H ALA A 29 10.403 9.294 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 29 8.526 8.718 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.254 6.385 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.000 7.234 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.651 6.972 -4.866 1.00 0.00 H new ATOM 450 N VAL A 30 9.845 8.244 -1.441 1.00 0.00 N ATOM 451 CA VAL A 30 10.655 8.172 -0.194 1.00 0.00 C ATOM 452 C VAL A 30 10.844 6.711 0.211 1.00 0.00 C ATOM 453 O VAL A 30 10.093 5.842 -0.188 1.00 0.00 O ATOM 454 CB VAL A 30 9.937 8.924 0.928 1.00 0.00 C ATOM 455 CG1 VAL A 30 8.639 8.198 1.286 1.00 0.00 C ATOM 456 CG2 VAL A 30 10.843 8.984 2.161 1.00 0.00 C ATOM 0 H VAL A 30 8.840 8.125 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 30 11.629 8.628 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 30 9.705 9.935 0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.130 8.736 2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.993 8.154 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.868 7.186 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.333 9.520 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.075 7.972 2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.767 9.504 1.908 1.00 0.00 H new ATOM 466 N VAL A 31 11.843 6.432 1.002 1.00 0.00 N ATOM 467 CA VAL A 31 12.083 5.028 1.436 1.00 0.00 C ATOM 468 C VAL A 31 12.464 5.012 2.916 1.00 0.00 C ATOM 469 O VAL A 31 13.071 5.935 3.421 1.00 0.00 O ATOM 470 CB VAL A 31 13.220 4.425 0.611 1.00 0.00 C ATOM 471 CG1 VAL A 31 13.074 2.902 0.575 1.00 0.00 C ATOM 472 CG2 VAL A 31 13.162 4.977 -0.816 1.00 0.00 C ATOM 0 H VAL A 31 12.504 7.117 1.367 1.00 0.00 H new ATOM 0 HA VAL A 31 11.176 4.442 1.286 1.00 0.00 H new ATOM 0 HB VAL A 31 14.176 4.687 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.885 2.473 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.115 2.508 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.118 2.639 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 31 13.972 4.548 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.206 4.715 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.267 6.062 -0.791 1.00 0.00 H new ATOM 482 N GLN A 32 12.116 3.968 3.615 1.00 0.00 N ATOM 483 CA GLN A 32 12.460 3.890 5.063 1.00 0.00 C ATOM 484 C GLN A 32 12.788 2.442 5.425 1.00 0.00 C ATOM 485 O GLN A 32 12.360 1.932 6.441 1.00 0.00 O ATOM 486 CB GLN A 32 11.272 4.367 5.899 1.00 0.00 C ATOM 487 CG GLN A 32 11.763 5.341 6.971 1.00 0.00 C ATOM 488 CD GLN A 32 10.814 6.538 7.048 1.00 0.00 C ATOM 489 OE1 GLN A 32 9.711 6.487 6.542 1.00 0.00 O ATOM 490 NE2 GLN A 32 11.200 7.622 7.665 1.00 0.00 N ATOM 0 H GLN A 32 11.608 3.164 3.246 1.00 0.00 H new ATOM 0 HA GLN A 32 13.323 4.524 5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.536 4.854 5.260 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.776 3.516 6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.812 4.840 7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 32 12.772 5.678 6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.126 7.665 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.575 8.426 7.722 1.00 0.00 H new ATOM 499 N HIS A 33 13.545 1.774 4.599 1.00 0.00 N ATOM 500 CA HIS A 33 13.900 0.359 4.893 1.00 0.00 C ATOM 501 C HIS A 33 14.290 0.230 6.366 1.00 0.00 C ATOM 502 O HIS A 33 14.950 1.085 6.921 1.00 0.00 O ATOM 503 CB HIS A 33 15.077 -0.064 4.012 1.00 0.00 C ATOM 504 CG HIS A 33 16.309 0.693 4.421 1.00 0.00 C ATOM 505 ND1 HIS A 33 17.318 0.111 5.174 1.00 0.00 N ATOM 506 CD2 HIS A 33 16.712 1.984 4.190 1.00 0.00 C ATOM 507 CE1 HIS A 33 18.269 1.042 5.366 1.00 0.00 C ATOM 508 NE2 HIS A 33 17.950 2.203 4.787 1.00 0.00 N ATOM 0 H HIS A 33 13.933 2.148 3.733 1.00 0.00 H new ATOM 0 HA HIS A 33 13.044 -0.284 4.686 1.00 0.00 H new ATOM 0 HB2 HIS A 33 15.248 -1.136 4.107 1.00 0.00 H new ATOM 0 HB3 HIS A 33 14.849 0.131 2.964 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.153 2.719 3.630 1.00 0.00 H new ATOM 0 HE1 HIS A 33 19.180 0.872 5.921 1.00 0.00 H new ATOM 0 HE2 HIS A 33 18.496 3.064 4.783 1.00 0.00 H new ATOM 516 N HIS A 34 13.885 -0.832 7.006 1.00 0.00 N ATOM 517 CA HIS A 34 14.233 -1.009 8.443 1.00 0.00 C ATOM 518 C HIS A 34 15.358 -2.036 8.573 1.00 0.00 C ATOM 519 O HIS A 34 15.811 -2.590 7.591 1.00 0.00 O ATOM 520 CB HIS A 34 13.002 -1.496 9.210 1.00 0.00 C ATOM 521 CG HIS A 34 12.603 -0.457 10.222 1.00 0.00 C ATOM 522 ND1 HIS A 34 11.805 -0.757 11.315 1.00 0.00 N ATOM 523 CD2 HIS A 34 12.885 0.883 10.319 1.00 0.00 C ATOM 524 CE1 HIS A 34 11.635 0.380 12.016 1.00 0.00 C ATOM 525 NE2 HIS A 34 12.272 1.409 11.453 1.00 0.00 N ATOM 0 H HIS A 34 13.329 -1.583 6.597 1.00 0.00 H new ATOM 0 HA HIS A 34 14.564 -0.056 8.857 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.179 -1.682 8.520 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.220 -2.441 9.708 1.00 0.00 H new ATOM 0 HD2 HIS A 34 13.490 1.444 9.622 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.054 0.451 12.924 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.303 2.374 11.783 1.00 0.00 H new ATOM 533 N PRO A 35 15.775 -2.250 9.790 1.00 0.00 N ATOM 534 CA PRO A 35 16.866 -3.222 10.014 1.00 0.00 C ATOM 535 C PRO A 35 16.333 -4.654 9.908 1.00 0.00 C ATOM 536 O PRO A 35 17.052 -5.569 9.560 1.00 0.00 O ATOM 537 CB PRO A 35 17.379 -2.944 11.433 1.00 0.00 C ATOM 538 CG PRO A 35 16.541 -1.786 12.016 1.00 0.00 C ATOM 539 CD PRO A 35 15.516 -1.374 10.952 1.00 0.00 C ATOM 0 HA PRO A 35 17.658 -3.121 9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.286 -3.834 12.055 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.436 -2.679 11.413 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.038 -2.100 12.931 1.00 0.00 H new ATOM 0 HG3 PRO A 35 17.181 -0.944 12.277 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.498 -1.501 11.319 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.630 -0.324 10.684 1.00 0.00 H new ATOM 547 N ALA A 36 15.079 -4.857 10.207 1.00 0.00 N ATOM 548 CA ALA A 36 14.508 -6.231 10.123 1.00 0.00 C ATOM 549 C ALA A 36 13.294 -6.226 9.192 1.00 0.00 C ATOM 550 O ALA A 36 12.999 -7.206 8.537 1.00 0.00 O ATOM 551 CB ALA A 36 14.079 -6.690 11.519 1.00 0.00 C ATOM 0 H ALA A 36 14.426 -4.132 10.505 1.00 0.00 H new ATOM 0 HA ALA A 36 15.262 -6.914 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 36 13.661 -7.695 11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.944 -6.696 12.182 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.326 -6.007 11.911 1.00 0.00 H new ATOM 557 N MET A 37 12.588 -5.131 9.127 1.00 0.00 N ATOM 558 CA MET A 37 11.394 -5.065 8.237 1.00 0.00 C ATOM 559 C MET A 37 11.616 -4.002 7.160 1.00 0.00 C ATOM 560 O MET A 37 12.706 -3.494 6.990 1.00 0.00 O ATOM 561 CB MET A 37 10.160 -4.697 9.064 1.00 0.00 C ATOM 562 CG MET A 37 9.804 -5.851 10.003 1.00 0.00 C ATOM 563 SD MET A 37 9.864 -5.275 11.717 1.00 0.00 S ATOM 564 CE MET A 37 9.552 -6.872 12.508 1.00 0.00 C ATOM 0 H MET A 37 12.786 -4.279 9.652 1.00 0.00 H new ATOM 0 HA MET A 37 11.242 -6.036 7.765 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.354 -3.793 9.641 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.320 -4.480 8.404 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.809 -6.230 9.770 1.00 0.00 H new ATOM 0 HG3 MET A 37 10.501 -6.677 9.861 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.546 -6.747 13.591 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.586 -7.257 12.182 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.336 -7.576 12.228 1.00 0.00 H new ATOM 574 N ILE A 38 10.587 -3.660 6.434 1.00 0.00 N ATOM 575 CA ILE A 38 10.734 -2.628 5.371 1.00 0.00 C ATOM 576 C ILE A 38 9.495 -1.731 5.379 1.00 0.00 C ATOM 577 O ILE A 38 8.392 -2.176 5.131 1.00 0.00 O ATOM 578 CB ILE A 38 10.882 -3.319 4.012 1.00 0.00 C ATOM 579 CG1 ILE A 38 9.607 -4.108 3.692 1.00 0.00 C ATOM 580 CG2 ILE A 38 12.073 -4.278 4.066 1.00 0.00 C ATOM 581 CD1 ILE A 38 9.823 -4.968 2.441 1.00 0.00 C ATOM 0 H ILE A 38 9.650 -4.052 6.532 1.00 0.00 H new ATOM 0 HA ILE A 38 11.620 -2.020 5.554 1.00 0.00 H new ATOM 0 HB ILE A 38 11.045 -2.570 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.340 -4.742 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.775 -3.422 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.185 -4.774 3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.980 -3.719 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.903 -5.026 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.912 -5.525 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.069 -4.325 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.642 -5.666 2.616 1.00 0.00 H new ATOM 593 N ARG A 39 9.663 -0.474 5.686 1.00 0.00 N ATOM 594 CA ARG A 39 8.486 0.440 5.733 1.00 0.00 C ATOM 595 C ARG A 39 8.559 1.464 4.599 1.00 0.00 C ATOM 596 O ARG A 39 9.614 1.955 4.250 1.00 0.00 O ATOM 597 CB ARG A 39 8.462 1.182 7.072 1.00 0.00 C ATOM 598 CG ARG A 39 9.108 0.320 8.158 1.00 0.00 C ATOM 599 CD ARG A 39 8.686 0.840 9.533 1.00 0.00 C ATOM 600 NE ARG A 39 7.936 -0.225 10.258 1.00 0.00 N ATOM 601 CZ ARG A 39 7.711 -0.112 11.540 1.00 0.00 C ATOM 602 NH1 ARG A 39 8.143 0.933 12.194 1.00 0.00 N ATOM 603 NH2 ARG A 39 7.051 -1.046 12.169 1.00 0.00 N ATOM 0 H ARG A 39 10.560 -0.041 5.906 1.00 0.00 H new ATOM 0 HA ARG A 39 7.581 -0.156 5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.995 2.129 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.434 1.419 7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.805 -0.720 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.193 0.348 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.564 1.136 10.107 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.063 1.728 9.423 1.00 0.00 H new ATOM 0 HE ARG A 39 7.598 -1.044 9.752 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.658 1.664 11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.965 1.018 13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.712 -1.862 11.660 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.874 -0.960 13.170 1.00 0.00 H new ATOM 617 N ILE A 40 7.432 1.793 4.032 1.00 0.00 N ATOM 618 CA ILE A 40 7.398 2.789 2.929 1.00 0.00 C ATOM 619 C ILE A 40 6.097 3.598 3.019 1.00 0.00 C ATOM 620 O ILE A 40 5.095 3.125 3.515 1.00 0.00 O ATOM 621 CB ILE A 40 7.458 2.059 1.586 1.00 0.00 C ATOM 622 CG1 ILE A 40 8.641 1.089 1.592 1.00 0.00 C ATOM 623 CG2 ILE A 40 7.640 3.074 0.457 1.00 0.00 C ATOM 624 CD1 ILE A 40 9.948 1.879 1.667 1.00 0.00 C ATOM 0 H ILE A 40 6.523 1.409 4.290 1.00 0.00 H new ATOM 0 HA ILE A 40 8.251 3.462 3.013 1.00 0.00 H new ATOM 0 HB ILE A 40 6.531 1.508 1.430 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.564 0.411 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.626 0.475 0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.682 2.551 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.800 3.769 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.567 3.626 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.791 1.188 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.024 2.539 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.962 2.474 2.580 1.00 0.00 H new ATOM 636 N GLU A 41 6.105 4.815 2.543 1.00 0.00 N ATOM 637 CA GLU A 41 4.873 5.657 2.599 1.00 0.00 C ATOM 638 C GLU A 41 4.603 6.232 1.209 1.00 0.00 C ATOM 639 O GLU A 41 5.368 6.030 0.287 1.00 0.00 O ATOM 640 CB GLU A 41 5.083 6.808 3.588 1.00 0.00 C ATOM 641 CG GLU A 41 6.564 7.188 3.636 1.00 0.00 C ATOM 642 CD GLU A 41 6.791 8.209 4.752 1.00 0.00 C ATOM 643 OE1 GLU A 41 5.812 8.659 5.324 1.00 0.00 O ATOM 644 OE2 GLU A 41 7.940 8.523 5.017 1.00 0.00 O ATOM 0 H GLU A 41 6.915 5.264 2.116 1.00 0.00 H new ATOM 0 HA GLU A 41 4.028 5.050 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.487 7.670 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.742 6.513 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.173 6.301 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.875 7.605 2.678 1.00 0.00 H new ATOM 651 N ALA A 42 3.523 6.944 1.044 1.00 0.00 N ATOM 652 CA ALA A 42 3.218 7.523 -0.294 1.00 0.00 C ATOM 653 C ALA A 42 2.834 8.996 -0.142 1.00 0.00 C ATOM 654 O ALA A 42 2.818 9.536 0.946 1.00 0.00 O ATOM 655 CB ALA A 42 2.059 6.755 -0.931 1.00 0.00 C ATOM 0 H ALA A 42 2.841 7.149 1.774 1.00 0.00 H new ATOM 0 HA ALA A 42 4.099 7.444 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.836 7.179 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.336 5.707 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.178 6.831 -0.294 1.00 0.00 H new ATOM 661 N GLU A 43 2.525 9.648 -1.228 1.00 0.00 N ATOM 662 CA GLU A 43 2.144 11.085 -1.154 1.00 0.00 C ATOM 663 C GLU A 43 0.994 11.353 -2.127 1.00 0.00 C ATOM 664 O GLU A 43 1.103 12.167 -3.022 1.00 0.00 O ATOM 665 CB GLU A 43 3.348 11.948 -1.536 1.00 0.00 C ATOM 666 CG GLU A 43 4.576 11.486 -0.747 1.00 0.00 C ATOM 667 CD GLU A 43 5.639 12.587 -0.759 1.00 0.00 C ATOM 668 OE1 GLU A 43 5.408 13.612 -0.140 1.00 0.00 O ATOM 669 OE2 GLU A 43 6.666 12.384 -1.386 1.00 0.00 O ATOM 0 H GLU A 43 2.520 9.246 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 43 1.828 11.330 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.540 11.871 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.139 12.997 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.294 11.250 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.979 10.573 -1.184 1.00 0.00 H new ATOM 676 N LYS A 44 -0.109 10.673 -1.961 1.00 0.00 N ATOM 677 CA LYS A 44 -1.260 10.890 -2.882 1.00 0.00 C ATOM 678 C LYS A 44 -2.572 10.556 -2.165 1.00 0.00 C ATOM 679 O LYS A 44 -2.616 10.425 -0.958 1.00 0.00 O ATOM 680 CB LYS A 44 -1.103 9.991 -4.110 1.00 0.00 C ATOM 681 CG LYS A 44 -0.481 10.796 -5.254 1.00 0.00 C ATOM 682 CD LYS A 44 -1.429 11.927 -5.656 1.00 0.00 C ATOM 683 CE LYS A 44 -0.709 13.271 -5.524 1.00 0.00 C ATOM 684 NZ LYS A 44 0.373 13.360 -6.547 1.00 0.00 N ATOM 0 H LYS A 44 -0.262 9.979 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.281 11.934 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.473 9.135 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.073 9.598 -4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.480 11.206 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.290 10.146 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.768 11.784 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.316 11.914 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.417 14.089 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.287 13.373 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.690 14.347 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.174 12.763 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.010 13.033 -7.465 1.00 0.00 H new ATOM 698 N ARG A 45 -3.643 10.428 -2.902 1.00 0.00 N ATOM 699 CA ARG A 45 -4.955 10.114 -2.268 1.00 0.00 C ATOM 700 C ARG A 45 -5.730 9.136 -3.149 1.00 0.00 C ATOM 701 O ARG A 45 -5.209 8.614 -4.114 1.00 0.00 O ATOM 702 CB ARG A 45 -5.760 11.400 -2.131 1.00 0.00 C ATOM 703 CG ARG A 45 -6.144 11.880 -3.528 1.00 0.00 C ATOM 704 CD ARG A 45 -6.662 13.316 -3.454 1.00 0.00 C ATOM 705 NE ARG A 45 -6.005 14.144 -4.515 1.00 0.00 N ATOM 706 CZ ARG A 45 -4.705 14.134 -4.679 1.00 0.00 C ATOM 707 NH1 ARG A 45 -3.926 13.549 -3.809 1.00 0.00 N ATOM 708 NH2 ARG A 45 -4.178 14.762 -5.696 1.00 0.00 N ATOM 0 H ARG A 45 -3.665 10.528 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.788 9.668 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.653 11.226 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.174 12.161 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.280 11.828 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.909 11.228 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.744 13.330 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.455 13.737 -2.470 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.581 14.727 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.328 13.093 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.916 13.548 -3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.778 15.256 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.167 14.758 -5.829 1.00 0.00 H new ATOM 722 N LEU A 46 -6.976 8.888 -2.833 1.00 0.00 N ATOM 723 CA LEU A 46 -7.771 7.942 -3.663 1.00 0.00 C ATOM 724 C LEU A 46 -9.273 8.178 -3.467 1.00 0.00 C ATOM 725 O LEU A 46 -9.709 8.703 -2.461 1.00 0.00 O ATOM 726 CB LEU A 46 -7.444 6.510 -3.246 1.00 0.00 C ATOM 727 CG LEU A 46 -6.155 6.054 -3.912 1.00 0.00 C ATOM 728 CD1 LEU A 46 -5.907 4.577 -3.602 1.00 0.00 C ATOM 729 CD2 LEU A 46 -6.284 6.238 -5.415 1.00 0.00 C ATOM 0 H LEU A 46 -7.472 9.298 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.518 8.104 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.343 6.453 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.262 5.846 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.320 6.644 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.983 4.255 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.823 4.441 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.738 3.981 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.364 5.914 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.119 5.643 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.461 7.290 -5.639 1.00 0.00 H new ATOM 741 N GLU A 47 -10.066 7.771 -4.423 1.00 0.00 N ATOM 742 CA GLU A 47 -11.542 7.945 -4.307 1.00 0.00 C ATOM 743 C GLU A 47 -12.239 6.993 -5.283 1.00 0.00 C ATOM 744 O GLU A 47 -11.794 6.799 -6.397 1.00 0.00 O ATOM 745 CB GLU A 47 -11.918 9.390 -4.643 1.00 0.00 C ATOM 746 CG GLU A 47 -13.439 9.507 -4.761 1.00 0.00 C ATOM 747 CD GLU A 47 -13.804 10.063 -6.138 1.00 0.00 C ATOM 748 OE1 GLU A 47 -13.427 11.188 -6.420 1.00 0.00 O ATOM 749 OE2 GLU A 47 -14.456 9.354 -6.887 1.00 0.00 O ATOM 0 H GLU A 47 -9.752 7.323 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.857 7.721 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.550 10.062 -3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.446 9.692 -5.578 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.901 8.530 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.826 10.161 -3.979 1.00 0.00 H new ATOM 756 N ILE A 48 -13.323 6.387 -4.873 1.00 0.00 N ATOM 757 CA ILE A 48 -14.035 5.439 -5.783 1.00 0.00 C ATOM 758 C ILE A 48 -15.511 5.351 -5.392 1.00 0.00 C ATOM 759 O ILE A 48 -15.855 5.351 -4.227 1.00 0.00 O ATOM 760 CB ILE A 48 -13.413 4.041 -5.682 1.00 0.00 C ATOM 761 CG1 ILE A 48 -12.411 3.979 -4.523 1.00 0.00 C ATOM 762 CG2 ILE A 48 -12.693 3.718 -6.985 1.00 0.00 C ATOM 763 CD1 ILE A 48 -11.976 2.530 -4.301 1.00 0.00 C ATOM 0 H ILE A 48 -13.745 6.506 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.944 5.807 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 48 -14.206 3.316 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -11.543 4.600 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -12.864 4.377 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -12.249 2.725 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.405 3.743 -7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -11.909 4.455 -7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.264 2.486 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.848 1.921 -4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -11.506 2.148 -5.207 1.00 0.00 H new ATOM 775 N ARG A 49 -16.389 5.265 -6.356 1.00 0.00 N ATOM 776 CA ARG A 49 -17.838 5.165 -6.025 1.00 0.00 C ATOM 777 C ARG A 49 -18.303 3.710 -6.161 1.00 0.00 C ATOM 778 O ARG A 49 -18.066 2.893 -5.293 1.00 0.00 O ATOM 779 CB ARG A 49 -18.659 6.062 -6.955 1.00 0.00 C ATOM 780 CG ARG A 49 -17.976 6.165 -8.320 1.00 0.00 C ATOM 781 CD ARG A 49 -18.812 7.058 -9.239 1.00 0.00 C ATOM 782 NE ARG A 49 -19.823 6.229 -9.966 1.00 0.00 N ATOM 783 CZ ARG A 49 -19.472 5.165 -10.639 1.00 0.00 C ATOM 784 NH1 ARG A 49 -18.210 4.906 -10.857 1.00 0.00 N ATOM 785 NH2 ARG A 49 -20.391 4.388 -11.142 1.00 0.00 N ATOM 0 H ARG A 49 -16.166 5.260 -7.351 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.987 5.496 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.664 5.656 -7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.765 7.054 -6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.973 6.577 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.865 5.174 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.313 7.830 -8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -18.165 7.568 -9.953 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.806 6.500 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.491 5.536 -10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.944 4.074 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.377 4.612 -11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.124 3.556 -11.668 1.00 0.00 H new ATOM 799 N ARG A 50 -18.962 3.374 -7.243 1.00 0.00 N ATOM 800 CA ARG A 50 -19.432 1.972 -7.421 1.00 0.00 C ATOM 801 C ARG A 50 -18.224 1.057 -7.635 1.00 0.00 C ATOM 802 O ARG A 50 -18.348 -0.150 -7.685 1.00 0.00 O ATOM 803 CB ARG A 50 -20.359 1.888 -8.637 1.00 0.00 C ATOM 804 CG ARG A 50 -21.102 0.550 -8.621 1.00 0.00 C ATOM 805 CD ARG A 50 -22.520 0.741 -9.164 1.00 0.00 C ATOM 806 NE ARG A 50 -23.504 0.537 -8.063 1.00 0.00 N ATOM 807 CZ ARG A 50 -24.741 0.936 -8.203 1.00 0.00 C ATOM 808 NH1 ARG A 50 -25.126 1.512 -9.309 1.00 0.00 N ATOM 809 NH2 ARG A 50 -25.596 0.755 -7.233 1.00 0.00 N ATOM 0 H ARG A 50 -19.192 4.010 -8.006 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.978 1.657 -6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -21.072 2.712 -8.622 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -19.781 1.984 -9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -20.566 -0.182 -9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -21.141 0.157 -7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -22.629 1.741 -9.583 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -22.710 0.034 -9.972 1.00 0.00 H new ATOM 0 HE ARG A 50 -23.211 0.084 -7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.461 1.653 -10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -26.092 1.821 -9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -25.298 0.303 -6.368 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -26.562 1.065 -7.340 1.00 0.00 H new ATOM 823 N GLU A 51 -17.053 1.624 -7.757 1.00 0.00 N ATOM 824 CA GLU A 51 -15.839 0.788 -7.960 1.00 0.00 C ATOM 825 C GLU A 51 -15.719 -0.220 -6.817 1.00 0.00 C ATOM 826 O GLU A 51 -14.986 -1.187 -6.900 1.00 0.00 O ATOM 827 CB GLU A 51 -14.603 1.687 -7.979 1.00 0.00 C ATOM 828 CG GLU A 51 -14.795 2.797 -9.013 1.00 0.00 C ATOM 829 CD GLU A 51 -13.572 2.856 -9.928 1.00 0.00 C ATOM 830 OE1 GLU A 51 -12.895 1.848 -10.044 1.00 0.00 O ATOM 831 OE2 GLU A 51 -13.333 3.908 -10.498 1.00 0.00 O ATOM 0 H GLU A 51 -16.887 2.630 -7.725 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.916 0.255 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.440 2.119 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.717 1.100 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.694 2.610 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.935 3.755 -8.512 1.00 0.00 H new ATOM 838 N THR A 52 -16.426 -0.007 -5.743 1.00 0.00 N ATOM 839 CA THR A 52 -16.335 -0.964 -4.610 1.00 0.00 C ATOM 840 C THR A 52 -16.749 -2.354 -5.090 1.00 0.00 C ATOM 841 O THR A 52 -16.121 -3.342 -4.766 1.00 0.00 O ATOM 842 CB THR A 52 -17.253 -0.507 -3.474 1.00 0.00 C ATOM 843 OG1 THR A 52 -17.475 0.892 -3.583 1.00 0.00 O ATOM 844 CG2 THR A 52 -16.600 -0.817 -2.126 1.00 0.00 C ATOM 0 H THR A 52 -17.057 0.782 -5.602 1.00 0.00 H new ATOM 0 HA THR A 52 -15.310 -1.000 -4.242 1.00 0.00 H new ATOM 0 HB THR A 52 -18.204 -1.035 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 52 -18.236 1.147 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.257 -0.490 -1.320 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.430 -1.890 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.648 -0.292 -2.054 1.00 0.00 H new ATOM 852 N VAL A 53 -17.789 -2.446 -5.872 1.00 0.00 N ATOM 853 CA VAL A 53 -18.207 -3.782 -6.371 1.00 0.00 C ATOM 854 C VAL A 53 -16.970 -4.495 -6.917 1.00 0.00 C ATOM 855 O VAL A 53 -16.827 -5.701 -6.810 1.00 0.00 O ATOM 856 CB VAL A 53 -19.243 -3.617 -7.484 1.00 0.00 C ATOM 857 CG1 VAL A 53 -19.686 -4.994 -7.980 1.00 0.00 C ATOM 858 CG2 VAL A 53 -20.457 -2.858 -6.943 1.00 0.00 C ATOM 0 H VAL A 53 -18.361 -1.661 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.652 -4.364 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 53 -18.801 -3.058 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -20.424 -4.875 -8.773 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.823 -5.537 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.127 -5.553 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.195 -2.740 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.897 -3.417 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -20.144 -1.875 -6.590 1.00 0.00 H new ATOM 868 N GLU A 54 -16.058 -3.749 -7.479 1.00 0.00 N ATOM 869 CA GLU A 54 -14.818 -4.373 -8.009 1.00 0.00 C ATOM 870 C GLU A 54 -14.006 -4.878 -6.822 1.00 0.00 C ATOM 871 O GLU A 54 -13.508 -5.986 -6.822 1.00 0.00 O ATOM 872 CB GLU A 54 -14.011 -3.339 -8.805 1.00 0.00 C ATOM 873 CG GLU A 54 -12.563 -3.813 -8.961 1.00 0.00 C ATOM 874 CD GLU A 54 -12.194 -3.853 -10.445 1.00 0.00 C ATOM 875 OE1 GLU A 54 -13.000 -4.337 -11.223 1.00 0.00 O ATOM 876 OE2 GLU A 54 -11.112 -3.400 -10.779 1.00 0.00 O ATOM 0 H GLU A 54 -16.120 -2.737 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 54 -15.061 -5.199 -8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.462 -3.191 -9.786 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.034 -2.376 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.890 -3.142 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.444 -4.802 -8.519 1.00 0.00 H new ATOM 883 N GLU A 55 -13.884 -4.078 -5.798 1.00 0.00 N ATOM 884 CA GLU A 55 -13.123 -4.532 -4.605 1.00 0.00 C ATOM 885 C GLU A 55 -13.635 -5.917 -4.212 1.00 0.00 C ATOM 886 O GLU A 55 -12.868 -6.823 -3.954 1.00 0.00 O ATOM 887 CB GLU A 55 -13.335 -3.554 -3.447 1.00 0.00 C ATOM 888 CG GLU A 55 -12.744 -4.148 -2.167 1.00 0.00 C ATOM 889 CD GLU A 55 -13.875 -4.560 -1.224 1.00 0.00 C ATOM 890 OE1 GLU A 55 -14.584 -5.497 -1.554 1.00 0.00 O ATOM 891 OE2 GLU A 55 -14.013 -3.934 -0.186 1.00 0.00 O ATOM 0 H GLU A 55 -14.275 -3.138 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.058 -4.573 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.860 -2.599 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.399 -3.357 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.124 -5.012 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.098 -3.418 -1.680 1.00 0.00 H new ATOM 898 N ASN A 56 -14.930 -6.098 -4.190 1.00 0.00 N ATOM 899 CA ASN A 56 -15.480 -7.437 -3.842 1.00 0.00 C ATOM 900 C ASN A 56 -14.834 -8.464 -4.768 1.00 0.00 C ATOM 901 O ASN A 56 -14.395 -9.516 -4.343 1.00 0.00 O ATOM 902 CB ASN A 56 -16.996 -7.445 -4.040 1.00 0.00 C ATOM 903 CG ASN A 56 -17.608 -8.564 -3.195 1.00 0.00 C ATOM 904 OD1 ASN A 56 -18.520 -8.331 -2.427 1.00 0.00 O ATOM 905 ND2 ASN A 56 -17.141 -9.779 -3.306 1.00 0.00 N ATOM 0 H ASN A 56 -15.625 -5.380 -4.397 1.00 0.00 H new ATOM 0 HA ASN A 56 -15.266 -7.675 -2.800 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.418 -6.482 -3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.236 -7.595 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -17.542 -10.533 -2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.375 -9.974 -3.951 1.00 0.00 H new ATOM 912 N LEU A 57 -14.743 -8.149 -6.032 1.00 0.00 N ATOM 913 CA LEU A 57 -14.093 -9.085 -6.984 1.00 0.00 C ATOM 914 C LEU A 57 -12.736 -9.456 -6.403 1.00 0.00 C ATOM 915 O LEU A 57 -12.522 -10.556 -5.933 1.00 0.00 O ATOM 916 CB LEU A 57 -13.909 -8.368 -8.328 1.00 0.00 C ATOM 917 CG LEU A 57 -13.429 -9.335 -9.419 1.00 0.00 C ATOM 918 CD1 LEU A 57 -12.188 -10.108 -8.968 1.00 0.00 C ATOM 919 CD2 LEU A 57 -14.548 -10.322 -9.759 1.00 0.00 C ATOM 0 H LEU A 57 -15.092 -7.283 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.695 -9.981 -7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -14.852 -7.914 -8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.188 -7.559 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.167 -8.750 -10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.872 -10.785 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.383 -9.407 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.423 -10.684 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.205 -11.008 -10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.818 -10.888 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.419 -9.775 -10.119 1.00 0.00 H new ATOM 931 N GLY A 58 -11.820 -8.530 -6.436 1.00 0.00 N ATOM 932 CA GLY A 58 -10.458 -8.790 -5.886 1.00 0.00 C ATOM 933 C GLY A 58 -10.569 -9.616 -4.601 1.00 0.00 C ATOM 934 O GLY A 58 -9.679 -10.368 -4.258 1.00 0.00 O ATOM 0 H GLY A 58 -11.956 -7.596 -6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.854 -9.322 -6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.952 -7.847 -5.681 1.00 0.00 H new ATOM 938 N ARG A 59 -11.659 -9.489 -3.890 1.00 0.00 N ATOM 939 CA ARG A 59 -11.823 -10.276 -2.636 1.00 0.00 C ATOM 940 C ARG A 59 -11.590 -11.753 -2.942 1.00 0.00 C ATOM 941 O ARG A 59 -10.714 -12.380 -2.380 1.00 0.00 O ATOM 942 CB ARG A 59 -13.240 -10.091 -2.098 1.00 0.00 C ATOM 943 CG ARG A 59 -13.224 -10.177 -0.571 1.00 0.00 C ATOM 944 CD ARG A 59 -13.741 -8.867 0.022 1.00 0.00 C ATOM 945 NE ARG A 59 -12.689 -8.270 0.902 1.00 0.00 N ATOM 946 CZ ARG A 59 -12.079 -8.987 1.812 1.00 0.00 C ATOM 947 NH1 ARG A 59 -12.502 -10.188 2.113 1.00 0.00 N ATOM 948 NH2 ARG A 59 -11.072 -8.476 2.465 1.00 0.00 N ATOM 0 H ARG A 59 -12.440 -8.876 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.105 -9.933 -1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.637 -9.126 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.899 -10.856 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.844 -11.009 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -12.211 -10.373 -0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.001 -8.171 -0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.650 -9.048 0.595 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.442 -7.286 0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.316 -10.576 1.637 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.018 -10.736 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.765 -7.524 2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.592 -9.028 3.175 1.00 0.00 H new ATOM 962 N ALA A 60 -12.367 -12.312 -3.835 1.00 0.00 N ATOM 963 CA ALA A 60 -12.184 -13.749 -4.185 1.00 0.00 C ATOM 964 C ALA A 60 -10.689 -14.030 -4.317 1.00 0.00 C ATOM 965 O ALA A 60 -10.211 -15.099 -3.995 1.00 0.00 O ATOM 966 CB ALA A 60 -12.887 -14.051 -5.510 1.00 0.00 C ATOM 0 H ALA A 60 -13.118 -11.835 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.614 -14.380 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.751 -15.103 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -13.951 -13.835 -5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.460 -13.430 -6.298 1.00 0.00 H new ATOM 972 N TRP A 61 -9.944 -13.059 -4.769 1.00 0.00 N ATOM 973 CA TRP A 61 -8.476 -13.243 -4.899 1.00 0.00 C ATOM 974 C TRP A 61 -7.820 -12.791 -3.595 1.00 0.00 C ATOM 975 O TRP A 61 -6.894 -12.008 -3.592 1.00 0.00 O ATOM 976 CB TRP A 61 -7.948 -12.399 -6.060 1.00 0.00 C ATOM 977 CG TRP A 61 -6.601 -12.902 -6.468 1.00 0.00 C ATOM 978 CD1 TRP A 61 -6.288 -14.201 -6.678 1.00 0.00 C ATOM 979 CD2 TRP A 61 -5.383 -12.142 -6.718 1.00 0.00 C ATOM 980 NE1 TRP A 61 -4.956 -14.288 -7.041 1.00 0.00 N ATOM 981 CE2 TRP A 61 -4.355 -13.045 -7.079 1.00 0.00 C ATOM 982 CE3 TRP A 61 -5.073 -10.772 -6.666 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -3.066 -12.604 -7.379 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -3.776 -10.324 -6.967 1.00 0.00 C ATOM 985 CH2 TRP A 61 -2.775 -11.239 -7.323 1.00 0.00 C ATOM 0 H TRP A 61 -10.293 -12.144 -5.054 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.245 -14.290 -5.095 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -8.637 -12.449 -6.903 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.883 -11.352 -5.763 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -6.967 -15.035 -6.578 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.477 -15.163 -7.254 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -5.837 -10.059 -6.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.299 -13.313 -7.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -3.549 -9.269 -6.924 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.780 -10.889 -7.554 1.00 0.00 H new ATOM 996 N ASP A 62 -8.315 -13.279 -2.488 1.00 0.00 N ATOM 997 CA ASP A 62 -7.758 -12.899 -1.165 1.00 0.00 C ATOM 998 C ASP A 62 -6.435 -13.623 -0.946 1.00 0.00 C ATOM 999 O ASP A 62 -6.351 -14.609 -0.242 1.00 0.00 O ATOM 1000 CB ASP A 62 -8.744 -13.291 -0.063 1.00 0.00 C ATOM 1001 CG ASP A 62 -8.992 -14.800 -0.113 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -9.758 -15.227 -0.960 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -8.411 -15.502 0.698 1.00 0.00 O ATOM 0 H ASP A 62 -9.095 -13.935 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.593 -11.822 -1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.347 -13.009 0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.683 -12.753 -0.192 1.00 0.00 H new ATOM 1008 N VAL A 63 -5.404 -13.124 -1.552 1.00 0.00 N ATOM 1009 CA VAL A 63 -4.051 -13.741 -1.413 1.00 0.00 C ATOM 1010 C VAL A 63 -3.473 -13.468 -0.017 1.00 0.00 C ATOM 1011 O VAL A 63 -2.324 -13.757 0.246 1.00 0.00 O ATOM 1012 CB VAL A 63 -3.121 -13.132 -2.458 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -1.841 -13.964 -2.556 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -3.824 -13.114 -3.816 1.00 0.00 C ATOM 0 H VAL A 63 -5.435 -12.299 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.138 -14.818 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.867 -12.113 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.179 -13.526 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.339 -13.975 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.092 -14.984 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.160 -12.679 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.080 -14.133 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.733 -12.517 -3.747 1.00 0.00 H new ATOM 1024 N GLN A 64 -4.251 -12.910 0.874 1.00 0.00 N ATOM 1025 CA GLN A 64 -3.741 -12.619 2.247 1.00 0.00 C ATOM 1026 C GLN A 64 -2.849 -13.769 2.727 1.00 0.00 C ATOM 1027 O GLN A 64 -1.953 -13.576 3.524 1.00 0.00 O ATOM 1028 CB GLN A 64 -4.925 -12.463 3.204 1.00 0.00 C ATOM 1029 CG GLN A 64 -5.426 -11.018 3.167 1.00 0.00 C ATOM 1030 CD GLN A 64 -5.762 -10.631 1.726 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -6.836 -10.926 1.240 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -4.883 -9.978 1.017 1.00 0.00 N ATOM 0 H GLN A 64 -5.221 -12.642 0.709 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.159 -11.698 2.226 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.727 -13.144 2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.624 -12.729 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.308 -10.912 3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.665 -10.348 3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.981 -9.730 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.097 -9.715 0.055 1.00 0.00 H new ATOM 1041 N GLU A 65 -3.080 -14.963 2.247 1.00 0.00 N ATOM 1042 CA GLU A 65 -2.232 -16.109 2.679 1.00 0.00 C ATOM 1043 C GLU A 65 -0.770 -15.792 2.359 1.00 0.00 C ATOM 1044 O GLU A 65 0.082 -15.798 3.225 1.00 0.00 O ATOM 1045 CB GLU A 65 -2.659 -17.374 1.931 1.00 0.00 C ATOM 1046 CG GLU A 65 -3.598 -18.196 2.816 1.00 0.00 C ATOM 1047 CD GLU A 65 -4.195 -19.346 2.003 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -3.510 -19.842 1.124 1.00 0.00 O ATOM 1049 OE2 GLU A 65 -5.327 -19.712 2.275 1.00 0.00 O ATOM 0 H GLU A 65 -3.815 -15.192 1.578 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.348 -16.272 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.159 -17.108 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.783 -17.965 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.053 -18.589 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.394 -17.562 3.206 1.00 0.00 H new ATOM 1056 N MET A 66 -0.478 -15.502 1.121 1.00 0.00 N ATOM 1057 CA MET A 66 0.923 -15.168 0.740 1.00 0.00 C ATOM 1058 C MET A 66 1.321 -13.836 1.382 1.00 0.00 C ATOM 1059 O MET A 66 2.463 -13.426 1.333 1.00 0.00 O ATOM 1060 CB MET A 66 1.012 -15.043 -0.780 1.00 0.00 C ATOM 1061 CG MET A 66 1.947 -16.122 -1.329 1.00 0.00 C ATOM 1062 SD MET A 66 3.603 -15.894 -0.635 1.00 0.00 S ATOM 1063 CE MET A 66 4.389 -15.251 -2.132 1.00 0.00 C ATOM 0 H MET A 66 -1.151 -15.482 0.355 1.00 0.00 H new ATOM 0 HA MET A 66 1.595 -15.954 1.086 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.021 -15.147 -1.222 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.381 -14.054 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.567 -17.111 -1.074 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.986 -16.066 -2.417 1.00 0.00 H new ATOM 0 HE1 MET A 66 5.438 -15.037 -1.929 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.317 -15.992 -2.928 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.886 -14.335 -2.443 1.00 0.00 H new ATOM 1073 N LEU A 67 0.379 -13.157 1.977 1.00 0.00 N ATOM 1074 CA LEU A 67 0.678 -11.845 2.623 1.00 0.00 C ATOM 1075 C LEU A 67 1.391 -12.059 3.967 1.00 0.00 C ATOM 1076 O LEU A 67 1.600 -11.131 4.722 1.00 0.00 O ATOM 1077 CB LEU A 67 -0.637 -11.103 2.859 1.00 0.00 C ATOM 1078 CG LEU A 67 -0.350 -9.650 3.230 1.00 0.00 C ATOM 1079 CD1 LEU A 67 -0.273 -8.807 1.959 1.00 0.00 C ATOM 1080 CD2 LEU A 67 -1.477 -9.129 4.121 1.00 0.00 C ATOM 0 H LEU A 67 -0.594 -13.457 2.044 1.00 0.00 H new ATOM 0 HA LEU A 67 1.330 -11.263 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.255 -11.144 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.201 -11.587 3.656 1.00 0.00 H new ATOM 0 HG LEU A 67 0.598 -9.586 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.068 -7.769 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.526 -9.184 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.222 -8.865 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.278 -8.092 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.423 -9.190 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.534 -9.734 5.026 1.00 0.00 H new ATOM 1092 N VAL A 68 1.767 -13.272 4.272 1.00 0.00 N ATOM 1093 CA VAL A 68 2.466 -13.549 5.564 1.00 0.00 C ATOM 1094 C VAL A 68 3.476 -12.436 5.878 1.00 0.00 C ATOM 1095 O VAL A 68 3.810 -12.197 7.021 1.00 0.00 O ATOM 1096 CB VAL A 68 3.203 -14.884 5.466 1.00 0.00 C ATOM 1097 CG1 VAL A 68 3.904 -15.176 6.793 1.00 0.00 C ATOM 1098 CG2 VAL A 68 2.199 -15.998 5.163 1.00 0.00 C ATOM 0 H VAL A 68 1.620 -14.089 3.679 1.00 0.00 H new ATOM 0 HA VAL A 68 1.725 -13.589 6.362 1.00 0.00 H new ATOM 0 HB VAL A 68 3.943 -14.835 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.430 -16.128 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.618 -14.381 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.164 -15.227 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.723 -16.951 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.460 -16.049 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.698 -15.789 4.218 1.00 0.00 H new ATOM 1108 N ASP A 69 3.964 -11.752 4.877 1.00 0.00 N ATOM 1109 CA ASP A 69 4.947 -10.660 5.130 1.00 0.00 C ATOM 1110 C ASP A 69 4.315 -9.627 6.065 1.00 0.00 C ATOM 1111 O ASP A 69 3.133 -9.354 5.989 1.00 0.00 O ATOM 1112 CB ASP A 69 5.300 -9.993 3.800 1.00 0.00 C ATOM 1113 CG ASP A 69 5.627 -11.067 2.761 1.00 0.00 C ATOM 1114 OD1 ASP A 69 5.893 -12.189 3.161 1.00 0.00 O ATOM 1115 OD2 ASP A 69 5.605 -10.750 1.583 1.00 0.00 O ATOM 0 H ASP A 69 3.724 -11.902 3.897 1.00 0.00 H new ATOM 0 HA ASP A 69 5.849 -11.066 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.467 -9.381 3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.153 -9.327 3.930 1.00 0.00 H new ATOM 1120 N VAL A 70 5.086 -9.054 6.953 1.00 0.00 N ATOM 1121 CA VAL A 70 4.512 -8.044 7.894 1.00 0.00 C ATOM 1122 C VAL A 70 3.596 -7.103 7.119 1.00 0.00 C ATOM 1123 O VAL A 70 3.692 -6.996 5.915 1.00 0.00 O ATOM 1124 CB VAL A 70 5.634 -7.233 8.539 1.00 0.00 C ATOM 1125 CG1 VAL A 70 5.039 -6.061 9.318 1.00 0.00 C ATOM 1126 CG2 VAL A 70 6.431 -8.130 9.486 1.00 0.00 C ATOM 0 H VAL A 70 6.082 -9.240 7.068 1.00 0.00 H new ATOM 0 HA VAL A 70 3.948 -8.558 8.672 1.00 0.00 H new ATOM 0 HB VAL A 70 6.296 -6.848 7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.842 -5.484 9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.475 -5.421 8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.375 -6.440 10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.232 -7.552 9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.771 -8.518 10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.859 -8.961 8.926 1.00 0.00 H new ATOM 1136 N ILE A 71 2.704 -6.428 7.798 1.00 0.00 N ATOM 1137 CA ILE A 71 1.776 -5.501 7.097 1.00 0.00 C ATOM 1138 C ILE A 71 1.559 -4.244 7.946 1.00 0.00 C ATOM 1139 O ILE A 71 1.450 -4.312 9.154 1.00 0.00 O ATOM 1140 CB ILE A 71 0.432 -6.198 6.889 1.00 0.00 C ATOM 1141 CG1 ILE A 71 0.154 -7.151 8.061 1.00 0.00 C ATOM 1142 CG2 ILE A 71 0.451 -6.981 5.574 1.00 0.00 C ATOM 1143 CD1 ILE A 71 0.963 -8.442 7.898 1.00 0.00 C ATOM 0 H ILE A 71 2.581 -6.481 8.809 1.00 0.00 H new ATOM 0 HA ILE A 71 2.206 -5.221 6.135 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.357 -5.448 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.414 -6.667 9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.910 -7.383 8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.510 -7.476 5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.633 -6.297 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.243 -7.729 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.757 -9.109 8.735 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.682 -8.932 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.027 -8.205 7.877 1.00 0.00 H new ATOM 1155 N THR A 72 1.478 -3.099 7.323 1.00 0.00 N ATOM 1156 CA THR A 72 1.249 -1.846 8.097 1.00 0.00 C ATOM 1157 C THR A 72 0.584 -0.802 7.197 1.00 0.00 C ATOM 1158 O THR A 72 0.805 -0.760 6.003 1.00 0.00 O ATOM 1159 CB THR A 72 2.576 -1.306 8.640 1.00 0.00 C ATOM 1160 OG1 THR A 72 3.485 -2.382 8.824 1.00 0.00 O ATOM 1161 CG2 THR A 72 2.331 -0.612 9.981 1.00 0.00 C ATOM 0 H THR A 72 1.560 -2.978 6.314 1.00 0.00 H new ATOM 0 HA THR A 72 0.594 -2.063 8.940 1.00 0.00 H new ATOM 0 HB THR A 72 2.996 -0.592 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.561 -2.892 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.274 -0.227 10.369 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.632 0.213 9.841 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.912 -1.327 10.689 1.00 0.00 H new ATOM 1169 N ILE A 73 -0.243 0.033 7.764 1.00 0.00 N ATOM 1170 CA ILE A 73 -0.939 1.070 6.953 1.00 0.00 C ATOM 1171 C ILE A 73 -0.838 2.423 7.661 1.00 0.00 C ATOM 1172 O ILE A 73 -0.330 2.523 8.760 1.00 0.00 O ATOM 1173 CB ILE A 73 -2.415 0.691 6.783 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -2.858 -0.202 7.947 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -2.600 -0.063 5.465 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -4.332 -0.575 7.776 1.00 0.00 C ATOM 0 H ILE A 73 -0.467 0.041 8.759 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.469 1.135 5.972 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.020 1.598 6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.246 -1.103 7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.712 0.318 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.649 -0.332 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.291 0.573 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.992 -0.968 5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.645 -1.210 8.605 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.938 0.331 7.764 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.465 -1.112 6.837 1.00 0.00 H new ATOM 1188 N GLY A 74 -1.307 3.468 7.035 1.00 0.00 N ATOM 1189 CA GLY A 74 -1.226 4.813 7.669 1.00 0.00 C ATOM 1190 C GLY A 74 -1.723 5.876 6.692 1.00 0.00 C ATOM 1191 O GLY A 74 -0.981 6.740 6.268 1.00 0.00 O ATOM 0 H GLY A 74 -1.742 3.448 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.826 4.833 8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.198 5.026 7.961 1.00 0.00 H new ATOM 1195 N GLY A 75 -2.974 5.823 6.337 1.00 0.00 N ATOM 1196 CA GLY A 75 -3.525 6.834 5.394 1.00 0.00 C ATOM 1197 C GLY A 75 -4.876 7.321 5.914 1.00 0.00 C ATOM 1198 O GLY A 75 -4.952 8.213 6.737 1.00 0.00 O ATOM 0 H GLY A 75 -3.641 5.122 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.835 7.672 5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.639 6.399 4.401 1.00 0.00 H new ATOM 1202 N ASN A 76 -5.944 6.740 5.445 1.00 0.00 N ATOM 1203 CA ASN A 76 -7.293 7.164 5.915 1.00 0.00 C ATOM 1204 C ASN A 76 -8.359 6.266 5.283 1.00 0.00 C ATOM 1205 O ASN A 76 -8.167 5.718 4.217 1.00 0.00 O ATOM 1206 CB ASN A 76 -7.541 8.620 5.510 1.00 0.00 C ATOM 1207 CG ASN A 76 -8.536 9.259 6.480 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -8.156 10.031 7.338 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -9.804 8.970 6.377 1.00 0.00 N ATOM 0 H ASN A 76 -5.942 5.989 4.755 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.344 7.077 7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.603 9.175 5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.930 8.664 4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.477 9.392 7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.122 8.322 5.657 1.00 0.00 H new ATOM 1216 N VAL A 77 -9.485 6.113 5.928 1.00 0.00 N ATOM 1217 CA VAL A 77 -10.560 5.251 5.352 1.00 0.00 C ATOM 1218 C VAL A 77 -11.920 5.877 5.614 1.00 0.00 C ATOM 1219 O VAL A 77 -12.454 5.781 6.701 1.00 0.00 O ATOM 1220 CB VAL A 77 -10.555 3.863 5.996 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -9.997 2.845 5.008 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -9.707 3.873 7.268 1.00 0.00 C ATOM 0 H VAL A 77 -9.707 6.545 6.825 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.372 5.161 4.282 1.00 0.00 H new ATOM 0 HB VAL A 77 -11.577 3.589 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.994 1.856 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.619 2.827 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.979 3.122 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.712 2.879 7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.683 4.155 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.120 4.592 7.975 1.00 0.00 H new ATOM 1232 N ASP A 78 -12.505 6.491 4.633 1.00 0.00 N ATOM 1233 CA ASP A 78 -13.842 7.080 4.854 1.00 0.00 C ATOM 1234 C ASP A 78 -14.878 6.242 4.126 1.00 0.00 C ATOM 1235 O ASP A 78 -14.922 6.176 2.913 1.00 0.00 O ATOM 1236 CB ASP A 78 -13.919 8.503 4.337 1.00 0.00 C ATOM 1237 CG ASP A 78 -12.519 9.047 4.032 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -11.881 8.523 3.136 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -12.109 9.979 4.705 1.00 0.00 O ATOM 0 H ASP A 78 -12.119 6.609 3.696 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.032 7.093 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.531 8.535 3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.408 9.138 5.076 1.00 0.00 H new ATOM 1244 N GLU A 79 -15.706 5.607 4.877 1.00 0.00 N ATOM 1245 CA GLU A 79 -16.774 4.751 4.285 1.00 0.00 C ATOM 1246 C GLU A 79 -18.134 5.425 4.479 1.00 0.00 C ATOM 1247 O GLU A 79 -18.472 5.861 5.561 1.00 0.00 O ATOM 1248 CB GLU A 79 -16.779 3.389 4.982 1.00 0.00 C ATOM 1249 CG GLU A 79 -15.340 2.905 5.166 1.00 0.00 C ATOM 1250 CD GLU A 79 -15.072 2.652 6.650 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -15.998 2.262 7.342 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -13.944 2.854 7.071 1.00 0.00 O ATOM 0 H GLU A 79 -15.698 5.637 5.897 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.583 4.616 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.275 3.466 5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -17.344 2.668 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.177 1.991 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.643 3.649 4.782 1.00 0.00 H new ATOM 1259 N ASP A 80 -18.920 5.514 3.439 1.00 0.00 N ATOM 1260 CA ASP A 80 -20.256 6.160 3.571 1.00 0.00 C ATOM 1261 C ASP A 80 -21.350 5.082 3.600 1.00 0.00 C ATOM 1262 O ASP A 80 -21.502 4.375 4.577 1.00 0.00 O ATOM 1263 CB ASP A 80 -20.480 7.107 2.389 1.00 0.00 C ATOM 1264 CG ASP A 80 -19.898 6.486 1.118 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -20.028 5.283 0.957 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -19.332 7.222 0.327 1.00 0.00 O ATOM 0 H ASP A 80 -18.694 5.168 2.506 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.298 6.730 4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.545 7.297 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.007 8.069 2.586 1.00 0.00 H new ATOM 1271 N ASP A 81 -22.115 4.947 2.546 1.00 0.00 N ATOM 1272 CA ASP A 81 -23.189 3.913 2.537 1.00 0.00 C ATOM 1273 C ASP A 81 -22.796 2.777 1.591 1.00 0.00 C ATOM 1274 O ASP A 81 -22.735 1.627 1.977 1.00 0.00 O ATOM 1275 CB ASP A 81 -24.499 4.543 2.058 1.00 0.00 C ATOM 1276 CG ASP A 81 -25.682 3.783 2.660 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -25.521 3.231 3.737 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -26.729 3.765 2.035 1.00 0.00 O ATOM 0 H ASP A 81 -22.041 5.506 1.696 1.00 0.00 H new ATOM 0 HA ASP A 81 -23.321 3.518 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -24.539 5.592 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -24.551 4.515 0.970 1.00 0.00 H new ATOM 1283 N ASP A 82 -22.527 3.093 0.354 1.00 0.00 N ATOM 1284 CA ASP A 82 -22.135 2.036 -0.619 1.00 0.00 C ATOM 1285 C ASP A 82 -20.824 2.442 -1.292 1.00 0.00 C ATOM 1286 O ASP A 82 -19.996 1.616 -1.619 1.00 0.00 O ATOM 1287 CB ASP A 82 -23.229 1.881 -1.679 1.00 0.00 C ATOM 1288 CG ASP A 82 -23.669 3.263 -2.167 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -24.200 4.012 -1.363 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -23.469 3.548 -3.336 1.00 0.00 O ATOM 0 H ASP A 82 -22.562 4.039 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 82 -22.005 1.087 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -22.858 1.290 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -24.080 1.343 -1.262 1.00 0.00 H new ATOM 1295 N ARG A 83 -20.633 3.716 -1.493 1.00 0.00 N ATOM 1296 CA ARG A 83 -19.381 4.198 -2.135 1.00 0.00 C ATOM 1297 C ARG A 83 -18.197 3.922 -1.209 1.00 0.00 C ATOM 1298 O ARG A 83 -18.350 3.359 -0.144 1.00 0.00 O ATOM 1299 CB ARG A 83 -19.494 5.703 -2.371 1.00 0.00 C ATOM 1300 CG ARG A 83 -19.864 5.968 -3.830 1.00 0.00 C ATOM 1301 CD ARG A 83 -21.301 6.482 -3.920 1.00 0.00 C ATOM 1302 NE ARG A 83 -21.521 7.097 -5.260 1.00 0.00 N ATOM 1303 CZ ARG A 83 -22.734 7.315 -5.692 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -23.762 6.985 -4.957 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -22.919 7.860 -6.863 1.00 0.00 N ATOM 0 H ARG A 83 -21.296 4.448 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 83 -19.230 3.682 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -20.250 6.129 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.549 6.191 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -19.180 6.699 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -19.759 5.053 -4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -22.003 5.663 -3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -21.487 7.216 -3.135 1.00 0.00 H new ATOM 0 HE ARG A 83 -20.721 7.348 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -23.619 6.556 -4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -24.708 7.157 -5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -22.117 8.115 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -23.866 8.031 -7.202 1.00 0.00 H new ATOM 1319 N PHE A 84 -17.015 4.318 -1.600 1.00 0.00 N ATOM 1320 CA PHE A 84 -15.831 4.077 -0.728 1.00 0.00 C ATOM 1321 C PHE A 84 -14.685 5.000 -1.149 1.00 0.00 C ATOM 1322 O PHE A 84 -14.338 5.083 -2.310 1.00 0.00 O ATOM 1323 CB PHE A 84 -15.387 2.619 -0.859 1.00 0.00 C ATOM 1324 CG PHE A 84 -14.306 2.327 0.155 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -14.528 2.592 1.512 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -13.082 1.791 -0.262 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -13.525 2.321 2.451 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -12.079 1.519 0.677 1.00 0.00 C ATOM 1329 CZ PHE A 84 -12.301 1.784 2.033 1.00 0.00 C ATOM 0 H PHE A 84 -16.820 4.795 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 84 -16.099 4.283 0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -16.236 1.954 -0.702 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.016 2.430 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -15.472 3.005 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.911 1.587 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.695 2.526 3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.135 1.105 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.528 1.574 2.758 1.00 0.00 H new ATOM 1339 N VAL A 85 -14.090 5.694 -0.215 1.00 0.00 N ATOM 1340 CA VAL A 85 -12.966 6.602 -0.577 1.00 0.00 C ATOM 1341 C VAL A 85 -11.796 6.389 0.377 1.00 0.00 C ATOM 1342 O VAL A 85 -11.958 5.940 1.495 1.00 0.00 O ATOM 1343 CB VAL A 85 -13.412 8.071 -0.488 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -13.217 8.596 0.940 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -12.554 8.911 -1.435 1.00 0.00 C ATOM 0 H VAL A 85 -14.332 5.671 0.776 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.660 6.375 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.465 8.140 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.536 9.637 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.812 7.999 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.164 8.525 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.864 9.954 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.506 8.828 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.680 8.551 -2.456 1.00 0.00 H new ATOM 1355 N LEU A 86 -10.625 6.742 -0.051 1.00 0.00 N ATOM 1356 CA LEU A 86 -9.448 6.609 0.809 1.00 0.00 C ATOM 1357 C LEU A 86 -8.307 7.425 0.188 1.00 0.00 C ATOM 1358 O LEU A 86 -8.534 8.419 -0.472 1.00 0.00 O ATOM 1359 CB LEU A 86 -9.082 5.128 0.941 1.00 0.00 C ATOM 1360 CG LEU A 86 -9.542 4.337 -0.283 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -8.980 4.977 -1.545 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -9.017 2.904 -0.175 1.00 0.00 C ATOM 0 H LEU A 86 -10.439 7.123 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.646 6.990 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.003 5.026 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.542 4.715 1.839 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.631 4.336 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.309 4.412 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.337 6.004 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.891 4.974 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.340 2.332 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.928 2.918 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.408 2.440 0.731 1.00 0.00 H new ATOM 1374 N GLU A 87 -7.098 7.025 0.396 1.00 0.00 N ATOM 1375 CA GLU A 87 -5.944 7.769 -0.170 1.00 0.00 C ATOM 1376 C GLU A 87 -5.134 6.840 -1.066 1.00 0.00 C ATOM 1377 O GLU A 87 -5.539 5.732 -1.353 1.00 0.00 O ATOM 1378 CB GLU A 87 -5.062 8.273 0.968 1.00 0.00 C ATOM 1379 CG GLU A 87 -5.089 9.801 0.989 1.00 0.00 C ATOM 1380 CD GLU A 87 -4.983 10.297 2.431 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -5.986 10.263 3.125 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -3.900 10.702 2.819 1.00 0.00 O ATOM 0 H GLU A 87 -6.850 6.201 0.943 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.305 8.615 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.416 7.878 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.040 7.918 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.265 10.197 0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.011 10.165 0.536 1.00 0.00 H new