USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 726 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 24 THR OG1 : rot 103:sc= 0.497 USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0.446 USER MOD Single : A 4 THR OG1 : rot 120:sc= -0.964 USER MOD Single : A 12 THR OG1 : rot 59:sc= 1.11 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.76) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 90:sc= 0.4 USER MOD Single : A 43 ASN : amide:sc= -0.0868 K(o=-0.087,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0716 K(o=-0.072,f=-2.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.54) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.65) USER MOD Single : A 123 SER OG : rot 158:sc= -0.661 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -87:sc= 0.673 USER MOD Single : A 133 TYR OH : rot -173:sc= -0.0335 USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -18.304 -10.416 8.824 1.00 0.00 N ATOM 32 CA GLY A 3 -16.942 -10.939 9.103 1.00 0.00 C ATOM 33 C GLY A 3 -15.937 -9.785 9.140 1.00 0.00 C ATOM 34 O GLY A 3 -15.678 -9.205 10.178 1.00 0.00 O ATOM 0 HA2 GLY A 3 -16.935 -11.469 10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -16.655 -11.658 8.336 1.00 0.00 H new ATOM 38 N THR A 4 -15.358 -9.448 8.020 1.00 0.00 N ATOM 39 CA THR A 4 -14.357 -8.342 8.022 1.00 0.00 C ATOM 40 C THR A 4 -14.440 -7.477 6.768 1.00 0.00 C ATOM 41 O THR A 4 -14.499 -7.957 5.660 1.00 0.00 O ATOM 42 CB THR A 4 -12.991 -9.034 8.100 1.00 0.00 C ATOM 43 OG1 THR A 4 -12.881 -9.719 9.340 1.00 0.00 O ATOM 44 CG2 THR A 4 -11.867 -7.992 7.991 1.00 0.00 C ATOM 0 H THR A 4 -15.531 -9.884 7.114 1.00 0.00 H new ATOM 0 HA THR A 4 -14.536 -7.665 8.857 1.00 0.00 H new ATOM 0 HB THR A 4 -12.901 -9.743 7.277 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.747 -10.676 9.175 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.900 -8.492 8.047 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.949 -7.467 7.039 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.953 -7.277 8.809 1.00 0.00 H new ATOM 52 N LEU A 5 -14.402 -6.194 6.948 1.00 0.00 N ATOM 53 CA LEU A 5 -14.420 -5.272 5.786 1.00 0.00 C ATOM 54 C LEU A 5 -13.221 -4.339 5.915 1.00 0.00 C ATOM 55 O LEU A 5 -12.903 -3.897 6.994 1.00 0.00 O ATOM 56 CB LEU A 5 -15.750 -4.504 5.884 1.00 0.00 C ATOM 57 CG LEU A 5 -15.733 -3.199 5.048 1.00 0.00 C ATOM 58 CD1 LEU A 5 -15.061 -2.072 5.846 1.00 0.00 C ATOM 59 CD2 LEU A 5 -15.020 -3.398 3.708 1.00 0.00 C ATOM 0 H LEU A 5 -14.359 -5.738 7.859 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.352 -5.778 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.563 -5.143 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.953 -4.263 6.927 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.766 -2.923 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -15.054 -1.159 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.615 -1.899 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.037 -2.357 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.028 -2.462 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.990 -3.706 3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.534 -4.168 3.133 1.00 0.00 H new ATOM 71 N LEU A 6 -12.554 -4.017 4.849 1.00 0.00 N ATOM 72 CA LEU A 6 -11.394 -3.099 4.991 1.00 0.00 C ATOM 73 C LEU A 6 -11.417 -2.024 3.904 1.00 0.00 C ATOM 74 O LEU A 6 -11.627 -2.301 2.739 1.00 0.00 O ATOM 75 CB LEU A 6 -10.166 -4.001 4.871 1.00 0.00 C ATOM 76 CG LEU A 6 -9.516 -4.140 6.249 1.00 0.00 C ATOM 77 CD1 LEU A 6 -9.976 -5.429 6.924 1.00 0.00 C ATOM 78 CD2 LEU A 6 -7.999 -4.166 6.102 1.00 0.00 C ATOM 0 H LEU A 6 -12.754 -4.341 3.903 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.402 -2.559 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.454 -4.981 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.456 -3.578 4.160 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.813 -3.289 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.506 -5.515 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.059 -5.411 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.692 -6.283 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.540 -4.265 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.708 -5.012 5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.663 -3.240 5.636 1.00 0.00 H new ATOM 90 N ALA A 7 -11.193 -0.794 4.284 1.00 0.00 N ATOM 91 CA ALA A 7 -11.186 0.314 3.287 1.00 0.00 C ATOM 92 C ALA A 7 -9.804 0.959 3.275 1.00 0.00 C ATOM 93 O ALA A 7 -9.324 1.412 4.290 1.00 0.00 O ATOM 94 CB ALA A 7 -12.235 1.310 3.782 1.00 0.00 C ATOM 0 H ALA A 7 -11.014 -0.509 5.247 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.407 -0.026 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.286 2.155 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.208 0.821 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.960 1.665 4.775 1.00 0.00 H new ATOM 100 N PHE A 8 -9.162 0.998 2.141 1.00 0.00 N ATOM 101 CA PHE A 8 -7.799 1.590 2.064 1.00 0.00 C ATOM 102 C PHE A 8 -7.802 2.924 1.319 1.00 0.00 C ATOM 103 O PHE A 8 -8.318 3.040 0.226 1.00 0.00 O ATOM 104 CB PHE A 8 -6.969 0.572 1.274 1.00 0.00 C ATOM 105 CG PHE A 8 -7.076 -0.803 1.894 1.00 0.00 C ATOM 106 CD1 PHE A 8 -8.211 -1.587 1.663 1.00 0.00 C ATOM 107 CD2 PHE A 8 -6.032 -1.300 2.687 1.00 0.00 C ATOM 108 CE1 PHE A 8 -8.305 -2.864 2.226 1.00 0.00 C ATOM 109 CE2 PHE A 8 -6.128 -2.578 3.249 1.00 0.00 C ATOM 110 CZ PHE A 8 -7.265 -3.359 3.020 1.00 0.00 C ATOM 0 H PHE A 8 -9.527 0.642 1.258 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.405 1.788 3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.314 0.538 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.925 0.886 1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.015 -1.206 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.154 -0.697 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.182 -3.469 2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.324 -2.961 3.860 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.340 -4.344 3.456 1.00 0.00 H new ATOM 120 N ASP A 9 -7.175 3.915 1.885 1.00 0.00 N ATOM 121 CA ASP A 9 -7.079 5.225 1.195 1.00 0.00 C ATOM 122 C ASP A 9 -5.614 5.435 0.856 1.00 0.00 C ATOM 123 O ASP A 9 -4.841 5.911 1.674 1.00 0.00 O ATOM 124 CB ASP A 9 -7.549 6.269 2.207 1.00 0.00 C ATOM 125 CG ASP A 9 -7.276 7.674 1.663 1.00 0.00 C ATOM 126 OD1 ASP A 9 -8.010 8.101 0.787 1.00 0.00 O ATOM 127 OD2 ASP A 9 -6.336 8.295 2.128 1.00 0.00 O ATOM 0 H ASP A 9 -6.724 3.872 2.799 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.676 5.287 0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.614 6.145 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.031 6.129 3.156 1.00 0.00 H new ATOM 132 N PHE A 10 -5.204 5.051 -0.325 1.00 0.00 N ATOM 133 CA PHE A 10 -3.764 5.204 -0.672 1.00 0.00 C ATOM 134 C PHE A 10 -3.463 4.761 -2.108 1.00 0.00 C ATOM 135 O PHE A 10 -4.351 4.596 -2.932 1.00 0.00 O ATOM 136 CB PHE A 10 -3.014 4.320 0.352 1.00 0.00 C ATOM 137 CG PHE A 10 -2.951 2.859 -0.073 1.00 0.00 C ATOM 138 CD1 PHE A 10 -4.015 1.998 0.214 1.00 0.00 C ATOM 139 CD2 PHE A 10 -1.814 2.365 -0.723 1.00 0.00 C ATOM 140 CE1 PHE A 10 -3.941 0.646 -0.154 1.00 0.00 C ATOM 141 CE2 PHE A 10 -1.738 1.017 -1.083 1.00 0.00 C ATOM 142 CZ PHE A 10 -2.800 0.158 -0.800 1.00 0.00 C ATOM 0 H PHE A 10 -5.794 4.645 -1.052 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.454 6.248 -0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.001 4.701 0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.509 4.392 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.893 2.373 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.992 3.029 -0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.765 -0.018 0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.857 0.640 -1.581 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.741 -0.884 -1.080 1.00 0.00 H new ATOM 152 N GLY A 11 -2.195 4.566 -2.387 1.00 0.00 N ATOM 153 CA GLY A 11 -1.756 4.127 -3.744 1.00 0.00 C ATOM 154 C GLY A 11 -0.404 3.417 -3.607 1.00 0.00 C ATOM 155 O GLY A 11 0.215 3.460 -2.569 1.00 0.00 O ATOM 0 H GLY A 11 -1.436 4.696 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.494 3.456 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.668 4.985 -4.411 1.00 0.00 H new ATOM 159 N THR A 12 0.055 2.755 -4.634 1.00 0.00 N ATOM 160 CA THR A 12 1.365 2.032 -4.537 1.00 0.00 C ATOM 161 C THR A 12 2.522 2.994 -4.215 1.00 0.00 C ATOM 162 O THR A 12 3.306 3.335 -5.079 1.00 0.00 O ATOM 163 CB THR A 12 1.568 1.401 -5.916 1.00 0.00 C ATOM 164 OG1 THR A 12 1.726 2.428 -6.886 1.00 0.00 O ATOM 165 CG2 THR A 12 0.353 0.541 -6.275 1.00 0.00 C ATOM 0 H THR A 12 -0.416 2.681 -5.536 1.00 0.00 H new ATOM 0 HA THR A 12 1.353 1.295 -3.734 1.00 0.00 H new ATOM 0 HB THR A 12 2.459 0.774 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.496 2.986 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.502 0.094 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.233 -0.247 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.541 1.164 -6.291 1.00 0.00 H new ATOM 173 N LYS A 13 2.643 3.413 -2.968 1.00 0.00 N ATOM 174 CA LYS A 13 3.754 4.347 -2.545 1.00 0.00 C ATOM 175 C LYS A 13 3.426 5.004 -1.198 1.00 0.00 C ATOM 176 O LYS A 13 4.298 5.483 -0.500 1.00 0.00 O ATOM 177 CB LYS A 13 3.858 5.440 -3.619 1.00 0.00 C ATOM 178 CG LYS A 13 5.167 5.269 -4.390 1.00 0.00 C ATOM 179 CD LYS A 13 5.037 5.913 -5.770 1.00 0.00 C ATOM 180 CE LYS A 13 6.431 6.232 -6.314 1.00 0.00 C ATOM 181 NZ LYS A 13 6.855 4.994 -7.028 1.00 0.00 N ATOM 0 H LYS A 13 2.011 3.144 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 13 4.687 3.794 -2.438 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.010 5.377 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.822 6.426 -3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.988 5.728 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.405 4.210 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.514 5.240 -6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.443 6.824 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.406 7.088 -6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.122 6.480 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.804 5.133 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.876 4.198 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.182 4.787 -7.793 1.00 0.00 H new ATOM 195 N SER A 14 2.172 5.061 -0.847 1.00 0.00 N ATOM 196 CA SER A 14 1.764 5.720 0.432 1.00 0.00 C ATOM 197 C SER A 14 0.687 4.869 1.126 1.00 0.00 C ATOM 198 O SER A 14 -0.129 4.275 0.468 1.00 0.00 O ATOM 199 CB SER A 14 1.188 7.075 -0.022 1.00 0.00 C ATOM 200 OG SER A 14 1.478 7.303 -1.399 1.00 0.00 O ATOM 0 H SER A 14 1.402 4.676 -1.395 1.00 0.00 H new ATOM 0 HA SER A 14 2.581 5.837 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.110 7.090 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.610 7.878 0.583 1.00 0.00 H new ATOM 0 HG SER A 14 1.104 8.166 -1.673 1.00 0.00 H new ATOM 206 N ILE A 15 0.705 4.765 2.440 1.00 0.00 N ATOM 207 CA ILE A 15 -0.323 3.901 3.149 1.00 0.00 C ATOM 208 C ILE A 15 -1.180 4.647 4.216 1.00 0.00 C ATOM 209 O ILE A 15 -0.759 4.865 5.346 1.00 0.00 O ATOM 210 CB ILE A 15 0.519 2.836 3.837 1.00 0.00 C ATOM 211 CG1 ILE A 15 1.361 2.087 2.793 1.00 0.00 C ATOM 212 CG2 ILE A 15 -0.394 1.852 4.570 1.00 0.00 C ATOM 213 CD1 ILE A 15 0.453 1.281 1.852 1.00 0.00 C ATOM 0 H ILE A 15 1.375 5.232 3.051 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.053 3.528 2.431 1.00 0.00 H new ATOM 0 HB ILE A 15 1.184 3.312 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.954 2.797 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.062 1.419 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.212 1.091 5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.981 2.387 5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.065 1.376 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.064 0.756 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.120 0.557 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.230 1.957 1.338 1.00 0.00 H new ATOM 225 N GLY A 16 -2.398 4.991 3.896 1.00 0.00 N ATOM 226 CA GLY A 16 -3.285 5.638 4.904 1.00 0.00 C ATOM 227 C GLY A 16 -4.564 4.827 4.846 1.00 0.00 C ATOM 228 O GLY A 16 -5.295 4.925 3.879 1.00 0.00 O ATOM 0 H GLY A 16 -2.818 4.851 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.842 5.613 5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.466 6.685 4.662 1.00 0.00 H new ATOM 232 N VAL A 17 -4.823 3.960 5.803 1.00 0.00 N ATOM 233 CA VAL A 17 -6.041 3.111 5.629 1.00 0.00 C ATOM 234 C VAL A 17 -6.893 2.976 6.891 1.00 0.00 C ATOM 235 O VAL A 17 -6.486 3.289 7.989 1.00 0.00 O ATOM 236 CB VAL A 17 -5.475 1.746 5.181 1.00 0.00 C ATOM 237 CG1 VAL A 17 -6.547 0.654 5.278 1.00 0.00 C ATOM 238 CG2 VAL A 17 -4.993 1.849 3.734 1.00 0.00 C ATOM 0 H VAL A 17 -4.276 3.810 6.651 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.729 3.557 4.910 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.645 1.482 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.126 -0.299 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.889 0.571 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.389 0.913 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.593 0.887 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.828 2.126 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.214 2.608 3.663 1.00 0.00 H new ATOM 248 N ALA A 18 -8.083 2.467 6.701 1.00 0.00 N ATOM 249 CA ALA A 18 -9.028 2.228 7.822 1.00 0.00 C ATOM 250 C ALA A 18 -9.508 0.781 7.716 1.00 0.00 C ATOM 251 O ALA A 18 -9.912 0.341 6.657 1.00 0.00 O ATOM 252 CB ALA A 18 -10.210 3.164 7.593 1.00 0.00 C ATOM 0 H ALA A 18 -8.445 2.201 5.785 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.574 2.401 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.940 3.030 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.861 4.197 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.675 2.935 6.634 1.00 0.00 H new ATOM 258 N VAL A 19 -9.486 0.040 8.778 1.00 0.00 N ATOM 259 CA VAL A 19 -9.962 -1.367 8.695 1.00 0.00 C ATOM 260 C VAL A 19 -11.375 -1.423 9.264 1.00 0.00 C ATOM 261 O VAL A 19 -11.654 -0.817 10.262 1.00 0.00 O ATOM 262 CB VAL A 19 -8.991 -2.162 9.563 1.00 0.00 C ATOM 263 CG1 VAL A 19 -9.489 -3.596 9.731 1.00 0.00 C ATOM 264 CG2 VAL A 19 -7.600 -2.173 8.912 1.00 0.00 C ATOM 0 H VAL A 19 -9.162 0.341 9.697 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.992 -1.762 7.679 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.928 -1.690 10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.788 -4.154 10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.469 -3.587 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.565 -4.072 8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.911 -2.742 9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.663 -2.635 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.238 -1.150 8.811 1.00 0.00 H new ATOM 274 N GLY A 20 -12.279 -2.106 8.630 1.00 0.00 N ATOM 275 CA GLY A 20 -13.665 -2.132 9.159 1.00 0.00 C ATOM 276 C GLY A 20 -14.033 -3.514 9.682 1.00 0.00 C ATOM 277 O GLY A 20 -13.709 -4.530 9.104 1.00 0.00 O ATOM 0 H GLY A 20 -12.122 -2.643 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.764 -1.400 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.362 -1.841 8.373 1.00 0.00 H new ATOM 281 N GLN A 21 -14.743 -3.554 10.765 1.00 0.00 N ATOM 282 CA GLN A 21 -15.174 -4.862 11.310 1.00 0.00 C ATOM 283 C GLN A 21 -16.585 -5.129 10.801 1.00 0.00 C ATOM 284 O GLN A 21 -17.520 -4.429 11.152 1.00 0.00 O ATOM 285 CB GLN A 21 -15.160 -4.698 12.831 1.00 0.00 C ATOM 286 CG GLN A 21 -13.755 -4.298 13.292 1.00 0.00 C ATOM 287 CD GLN A 21 -12.741 -5.348 12.827 1.00 0.00 C ATOM 288 OE1 GLN A 21 -12.832 -6.502 13.195 1.00 0.00 O ATOM 289 NE2 GLN A 21 -11.773 -4.992 12.029 1.00 0.00 N ATOM 0 H GLN A 21 -15.044 -2.738 11.297 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.535 -5.694 11.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.882 -3.939 13.132 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.459 -5.630 13.310 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.493 -3.321 12.886 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.729 -4.210 14.378 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.697 -4.023 11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.092 -5.683 11.714 1.00 0.00 H new ATOM 298 N ARG A 22 -16.745 -6.121 9.959 1.00 0.00 N ATOM 299 CA ARG A 22 -18.097 -6.416 9.405 1.00 0.00 C ATOM 300 C ARG A 22 -18.862 -7.363 10.330 1.00 0.00 C ATOM 301 O ARG A 22 -19.808 -8.013 9.930 1.00 0.00 O ATOM 302 CB ARG A 22 -17.834 -7.057 8.042 1.00 0.00 C ATOM 303 CG ARG A 22 -19.162 -7.259 7.307 1.00 0.00 C ATOM 304 CD ARG A 22 -18.982 -6.928 5.822 1.00 0.00 C ATOM 305 NE ARG A 22 -18.671 -8.232 5.174 1.00 0.00 N ATOM 306 CZ ARG A 22 -19.438 -8.687 4.221 1.00 0.00 C ATOM 307 NH1 ARG A 22 -19.680 -7.952 3.171 1.00 0.00 N ATOM 308 NH2 ARG A 22 -19.959 -9.879 4.318 1.00 0.00 N ATOM 0 H ARG A 22 -15.999 -6.736 9.634 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.713 -5.521 9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.172 -6.423 7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.328 -8.014 8.170 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.500 -8.289 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.931 -6.620 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.886 -6.484 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.176 -6.210 5.672 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.858 -8.770 5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.270 -7.021 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.279 -8.308 2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.767 -10.454 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.559 -10.236 3.574 1.00 0.00 H new ATOM 322 N ILE A 23 -18.472 -7.418 11.574 1.00 0.00 N ATOM 323 CA ILE A 23 -19.164 -8.266 12.557 1.00 0.00 C ATOM 324 C ILE A 23 -19.817 -7.326 13.578 1.00 0.00 C ATOM 325 O ILE A 23 -20.873 -7.606 14.111 1.00 0.00 O ATOM 326 CB ILE A 23 -18.062 -9.180 13.146 1.00 0.00 C ATOM 327 CG1 ILE A 23 -18.561 -9.866 14.422 1.00 0.00 C ATOM 328 CG2 ILE A 23 -16.785 -8.386 13.446 1.00 0.00 C ATOM 329 CD1 ILE A 23 -18.695 -8.846 15.547 1.00 0.00 C ATOM 0 H ILE A 23 -17.682 -6.893 11.949 1.00 0.00 H new ATOM 0 HA ILE A 23 -19.960 -8.896 12.159 1.00 0.00 H new ATOM 0 HB ILE A 23 -17.827 -9.940 12.401 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -19.524 -10.342 14.236 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -17.867 -10.654 14.716 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -16.029 -9.055 13.859 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -16.410 -7.939 12.525 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -17.007 -7.600 14.168 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -19.050 -9.344 16.449 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -17.724 -8.390 15.742 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -19.406 -8.074 15.255 1.00 0.00 H new ATOM 341 N THR A 24 -19.195 -6.200 13.843 1.00 0.00 N ATOM 342 CA THR A 24 -19.772 -5.225 14.814 1.00 0.00 C ATOM 343 C THR A 24 -20.088 -3.894 14.111 1.00 0.00 C ATOM 344 O THR A 24 -20.850 -3.090 14.610 1.00 0.00 O ATOM 345 CB THR A 24 -18.688 -5.024 15.877 1.00 0.00 C ATOM 346 OG1 THR A 24 -17.404 -5.224 15.299 1.00 0.00 O ATOM 347 CG2 THR A 24 -18.896 -6.021 17.018 1.00 0.00 C ATOM 0 H THR A 24 -18.309 -5.917 13.425 1.00 0.00 H new ATOM 0 HA THR A 24 -20.705 -5.585 15.248 1.00 0.00 H new ATOM 0 HB THR A 24 -18.753 -4.008 16.267 1.00 0.00 H new ATOM 0 HG1 THR A 24 -16.981 -4.356 15.133 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.123 -5.876 17.773 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.876 -5.861 17.467 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.837 -7.037 16.629 1.00 0.00 H new ATOM 355 N GLY A 25 -19.527 -3.659 12.949 1.00 0.00 N ATOM 356 CA GLY A 25 -19.825 -2.384 12.225 1.00 0.00 C ATOM 357 C GLY A 25 -18.883 -1.260 12.683 1.00 0.00 C ATOM 358 O GLY A 25 -19.280 -0.115 12.774 1.00 0.00 O ATOM 0 H GLY A 25 -18.881 -4.289 12.474 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.719 -2.538 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -20.860 -2.092 12.405 1.00 0.00 H new ATOM 362 N THR A 26 -17.653 -1.567 12.997 1.00 0.00 N ATOM 363 CA THR A 26 -16.718 -0.510 13.474 1.00 0.00 C ATOM 364 C THR A 26 -15.504 -0.392 12.543 1.00 0.00 C ATOM 365 O THR A 26 -15.178 -1.314 11.824 1.00 0.00 O ATOM 366 CB THR A 26 -16.273 -1.003 14.847 1.00 0.00 C ATOM 367 OG1 THR A 26 -16.669 -2.357 15.051 1.00 0.00 O ATOM 368 CG2 THR A 26 -16.892 -0.126 15.926 1.00 0.00 C ATOM 0 H THR A 26 -17.256 -2.505 12.943 1.00 0.00 H new ATOM 0 HA THR A 26 -17.187 0.474 13.502 1.00 0.00 H new ATOM 0 HB THR A 26 -15.186 -0.947 14.901 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.373 -2.655 15.936 1.00 0.00 H new ATOM 0 HG21 THR A 26 -16.574 -0.478 16.908 1.00 0.00 H new ATOM 0 HG22 THR A 26 -16.567 0.905 15.788 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.979 -0.176 15.857 1.00 0.00 H new ATOM 376 N ALA A 27 -14.819 0.733 12.551 1.00 0.00 N ATOM 377 CA ALA A 27 -13.627 0.867 11.658 1.00 0.00 C ATOM 378 C ALA A 27 -12.355 1.204 12.453 1.00 0.00 C ATOM 379 O ALA A 27 -12.247 2.233 13.092 1.00 0.00 O ATOM 380 CB ALA A 27 -13.947 1.987 10.652 1.00 0.00 C ATOM 0 H ALA A 27 -15.032 1.547 13.127 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.431 -0.078 11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.102 2.122 9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.832 1.717 10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.133 2.917 11.190 1.00 0.00 H new ATOM 386 N ARG A 28 -11.385 0.337 12.368 1.00 0.00 N ATOM 387 CA ARG A 28 -10.075 0.539 13.042 1.00 0.00 C ATOM 388 C ARG A 28 -9.178 1.351 12.100 1.00 0.00 C ATOM 389 O ARG A 28 -9.384 1.338 10.907 1.00 0.00 O ATOM 390 CB ARG A 28 -9.535 -0.882 13.226 1.00 0.00 C ATOM 391 CG ARG A 28 -8.046 -0.856 13.574 1.00 0.00 C ATOM 392 CD ARG A 28 -7.499 -2.283 13.571 1.00 0.00 C ATOM 393 NE ARG A 28 -8.331 -3.012 14.567 1.00 0.00 N ATOM 394 CZ ARG A 28 -9.180 -3.919 14.169 1.00 0.00 C ATOM 395 NH1 ARG A 28 -8.867 -4.718 13.185 1.00 0.00 N ATOM 396 NH2 ARG A 28 -10.342 -4.030 14.754 1.00 0.00 N ATOM 0 H ARG A 28 -11.451 -0.533 11.840 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.132 1.074 13.990 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.089 -1.387 14.017 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.690 -1.456 12.312 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.503 -0.245 12.853 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.898 -0.400 14.553 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.579 -2.735 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.445 -2.303 13.846 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.237 -2.802 15.561 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.959 -4.633 12.728 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.530 -5.427 12.873 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.587 -3.407 15.523 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.005 -4.740 14.441 1.00 0.00 H new ATOM 410 N PRO A 29 -8.232 2.055 12.651 1.00 0.00 N ATOM 411 CA PRO A 29 -7.352 2.884 11.815 1.00 0.00 C ATOM 412 C PRO A 29 -6.089 2.127 11.375 1.00 0.00 C ATOM 413 O PRO A 29 -5.451 1.445 12.151 1.00 0.00 O ATOM 414 CB PRO A 29 -6.987 4.029 12.751 1.00 0.00 C ATOM 415 CG PRO A 29 -7.140 3.483 14.148 1.00 0.00 C ATOM 416 CD PRO A 29 -7.893 2.173 14.065 1.00 0.00 C ATOM 0 HA PRO A 29 -7.830 3.199 10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.967 4.369 12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.641 4.887 12.593 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.162 3.331 14.606 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.679 4.192 14.776 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.279 1.337 14.400 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.785 2.184 14.691 1.00 0.00 H new ATOM 424 N LEU A 30 -5.718 2.283 10.129 1.00 0.00 N ATOM 425 CA LEU A 30 -4.487 1.624 9.601 1.00 0.00 C ATOM 426 C LEU A 30 -3.363 2.674 9.590 1.00 0.00 C ATOM 427 O LEU A 30 -3.622 3.837 9.316 1.00 0.00 O ATOM 428 CB LEU A 30 -4.846 1.173 8.188 1.00 0.00 C ATOM 429 CG LEU A 30 -4.020 -0.068 7.815 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.825 -0.998 6.909 1.00 0.00 C ATOM 431 CD2 LEU A 30 -2.748 0.377 7.080 1.00 0.00 C ATOM 0 H LEU A 30 -6.224 2.847 9.447 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.150 0.775 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.910 0.945 8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.652 1.978 7.479 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.761 -0.606 8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.223 -1.871 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.729 -1.319 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.099 -0.469 5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.157 -0.499 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.022 0.920 6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.161 1.026 7.729 1.00 0.00 H new ATOM 443 N PRO A 31 -2.167 2.236 9.936 1.00 0.00 N ATOM 444 CA PRO A 31 -0.985 3.140 10.089 1.00 0.00 C ATOM 445 C PRO A 31 -0.807 4.203 9.005 1.00 0.00 C ATOM 446 O PRO A 31 -1.497 4.252 8.006 1.00 0.00 O ATOM 447 CB PRO A 31 0.193 2.167 10.210 1.00 0.00 C ATOM 448 CG PRO A 31 -0.336 0.902 9.638 1.00 0.00 C ATOM 449 CD PRO A 31 -1.752 0.849 10.149 1.00 0.00 C ATOM 0 HA PRO A 31 -1.098 3.786 10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 31 1.064 2.522 9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.502 2.039 11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.303 0.909 8.549 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.242 0.039 9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.367 0.142 9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.803 0.558 11.198 1.00 0.00 H new ATOM 457 N ALA A 32 0.098 5.107 9.290 1.00 0.00 N ATOM 458 CA ALA A 32 0.368 6.282 8.411 1.00 0.00 C ATOM 459 C ALA A 32 0.941 5.945 7.042 1.00 0.00 C ATOM 460 O ALA A 32 1.637 4.974 6.827 1.00 0.00 O ATOM 461 CB ALA A 32 1.380 7.116 9.196 1.00 0.00 C ATOM 0 H ALA A 32 0.680 5.075 10.127 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.571 6.789 8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.639 8.007 8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.945 7.412 10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.278 6.525 9.374 1.00 0.00 H new ATOM 467 N ILE A 33 0.602 6.810 6.136 1.00 0.00 N ATOM 468 CA ILE A 33 1.009 6.751 4.715 1.00 0.00 C ATOM 469 C ILE A 33 2.526 6.578 4.537 1.00 0.00 C ATOM 470 O ILE A 33 3.082 5.641 5.050 1.00 0.00 O ATOM 471 CB ILE A 33 0.458 8.078 4.209 1.00 0.00 C ATOM 472 CG1 ILE A 33 0.525 8.137 2.693 1.00 0.00 C ATOM 473 CG2 ILE A 33 1.221 9.231 4.855 1.00 0.00 C ATOM 474 CD1 ILE A 33 -0.871 7.880 2.119 1.00 0.00 C ATOM 0 H ILE A 33 0.013 7.616 6.346 1.00 0.00 H new ATOM 0 HA ILE A 33 0.632 5.890 4.163 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.591 8.167 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.890 9.112 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.228 7.393 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.825 10.179 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.107 9.182 5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.278 9.157 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.830 7.921 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.218 6.895 2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.561 8.641 2.485 1.00 0.00 H new ATOM 486 N LYS A 34 3.179 7.421 3.774 1.00 0.00 N ATOM 487 CA LYS A 34 4.655 7.280 3.528 1.00 0.00 C ATOM 488 C LYS A 34 5.103 5.808 3.464 1.00 0.00 C ATOM 489 O LYS A 34 5.485 5.228 4.462 1.00 0.00 O ATOM 490 CB LYS A 34 5.316 7.985 4.712 1.00 0.00 C ATOM 491 CG LYS A 34 6.245 9.085 4.197 1.00 0.00 C ATOM 492 CD LYS A 34 7.354 8.459 3.350 1.00 0.00 C ATOM 493 CE LYS A 34 8.479 9.476 3.151 1.00 0.00 C ATOM 494 NZ LYS A 34 8.947 9.259 1.754 1.00 0.00 N ATOM 0 H LYS A 34 2.747 8.215 3.302 1.00 0.00 H new ATOM 0 HA LYS A 34 4.933 7.710 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.555 8.413 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.880 7.267 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.681 9.804 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.677 9.633 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.740 7.565 3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.956 8.147 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.120 10.495 3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.286 9.319 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.720 9.921 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.288 8.282 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.159 9.422 1.095 1.00 0.00 H new ATOM 508 N ALA A 35 5.068 5.202 2.307 1.00 0.00 N ATOM 509 CA ALA A 35 5.503 3.777 2.203 1.00 0.00 C ATOM 510 C ALA A 35 7.011 3.714 1.927 1.00 0.00 C ATOM 511 O ALA A 35 7.609 4.682 1.500 1.00 0.00 O ATOM 512 CB ALA A 35 4.704 3.201 1.031 1.00 0.00 C ATOM 0 H ALA A 35 4.759 5.628 1.434 1.00 0.00 H new ATOM 0 HA ALA A 35 5.325 3.215 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.969 2.153 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.638 3.281 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.936 3.759 0.124 1.00 0.00 H new ATOM 518 N GLN A 36 7.635 2.595 2.186 1.00 0.00 N ATOM 519 CA GLN A 36 9.109 2.493 1.958 1.00 0.00 C ATOM 520 C GLN A 36 9.424 2.035 0.530 1.00 0.00 C ATOM 521 O GLN A 36 9.110 0.930 0.137 1.00 0.00 O ATOM 522 CB GLN A 36 9.595 1.460 2.974 1.00 0.00 C ATOM 523 CG GLN A 36 10.594 2.117 3.928 1.00 0.00 C ATOM 524 CD GLN A 36 10.726 1.273 5.197 1.00 0.00 C ATOM 525 OE1 GLN A 36 10.146 1.591 6.216 1.00 0.00 O ATOM 526 NE2 GLN A 36 11.473 0.203 5.180 1.00 0.00 N ATOM 0 H GLN A 36 7.191 1.750 2.544 1.00 0.00 H new ATOM 0 HA GLN A 36 9.601 3.458 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.750 1.059 3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.064 0.621 2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.565 2.215 3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.261 3.123 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.960 -0.065 4.325 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.569 -0.365 6.022 1.00 0.00 H new ATOM 535 N ASP A 37 10.052 2.880 -0.246 1.00 0.00 N ATOM 536 CA ASP A 37 10.402 2.501 -1.649 1.00 0.00 C ATOM 537 C ASP A 37 9.186 1.896 -2.357 1.00 0.00 C ATOM 538 O ASP A 37 9.317 1.118 -3.281 1.00 0.00 O ATOM 539 CB ASP A 37 11.515 1.462 -1.513 1.00 0.00 C ATOM 540 CG ASP A 37 12.771 1.966 -2.226 1.00 0.00 C ATOM 541 OD1 ASP A 37 12.976 3.168 -2.245 1.00 0.00 O ATOM 542 OD2 ASP A 37 13.508 1.141 -2.741 1.00 0.00 O ATOM 0 H ASP A 37 10.339 3.819 0.032 1.00 0.00 H new ATOM 0 HA ASP A 37 10.716 3.361 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.730 1.279 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.196 0.513 -1.943 1.00 0.00 H new ATOM 547 N GLY A 38 8.007 2.247 -1.927 1.00 0.00 N ATOM 548 CA GLY A 38 6.786 1.691 -2.570 1.00 0.00 C ATOM 549 C GLY A 38 6.321 0.450 -1.805 1.00 0.00 C ATOM 550 O GLY A 38 5.550 -0.343 -2.308 1.00 0.00 O ATOM 0 H GLY A 38 7.837 2.895 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.995 2.441 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.995 1.433 -3.608 1.00 0.00 H new ATOM 554 N THR A 39 6.781 0.267 -0.594 1.00 0.00 N ATOM 555 CA THR A 39 6.365 -0.917 0.186 1.00 0.00 C ATOM 556 C THR A 39 5.178 -0.558 1.093 1.00 0.00 C ATOM 557 O THR A 39 5.348 0.120 2.086 1.00 0.00 O ATOM 558 CB THR A 39 7.605 -1.263 1.013 1.00 0.00 C ATOM 559 OG1 THR A 39 8.600 -1.815 0.163 1.00 0.00 O ATOM 560 CG2 THR A 39 7.241 -2.272 2.094 1.00 0.00 C ATOM 0 H THR A 39 7.429 0.894 -0.117 1.00 0.00 H new ATOM 0 HA THR A 39 6.036 -1.750 -0.435 1.00 0.00 H new ATOM 0 HB THR A 39 7.988 -0.358 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.168 -1.096 -0.185 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.128 -2.514 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.480 -1.846 2.748 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.854 -3.179 1.630 1.00 0.00 H new ATOM 568 N PRO A 40 4.013 -1.034 0.732 1.00 0.00 N ATOM 569 CA PRO A 40 2.806 -0.755 1.546 1.00 0.00 C ATOM 570 C PRO A 40 2.864 -1.558 2.849 1.00 0.00 C ATOM 571 O PRO A 40 3.607 -2.513 2.962 1.00 0.00 O ATOM 572 CB PRO A 40 1.657 -1.230 0.659 1.00 0.00 C ATOM 573 CG PRO A 40 2.266 -2.252 -0.245 1.00 0.00 C ATOM 574 CD PRO A 40 3.706 -1.862 -0.444 1.00 0.00 C ATOM 0 HA PRO A 40 2.704 0.292 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.850 -1.659 1.253 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.229 -0.404 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.193 -3.247 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.740 -2.285 -1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.354 -2.737 -0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.845 -1.306 -1.371 1.00 0.00 H new ATOM 582 N ASP A 41 2.087 -1.192 3.831 1.00 0.00 N ATOM 583 CA ASP A 41 2.113 -1.952 5.111 1.00 0.00 C ATOM 584 C ASP A 41 1.625 -3.366 4.856 1.00 0.00 C ATOM 585 O ASP A 41 0.450 -3.664 4.916 1.00 0.00 O ATOM 586 CB ASP A 41 1.158 -1.207 6.044 1.00 0.00 C ATOM 587 CG ASP A 41 1.937 -0.166 6.848 1.00 0.00 C ATOM 588 OD1 ASP A 41 2.508 0.721 6.235 1.00 0.00 O ATOM 589 OD2 ASP A 41 1.949 -0.272 8.063 1.00 0.00 O ATOM 0 H ASP A 41 1.439 -0.405 3.803 1.00 0.00 H new ATOM 0 HA ASP A 41 3.111 -2.020 5.543 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.373 -0.721 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.669 -1.910 6.718 1.00 0.00 H new ATOM 594 N TRP A 42 2.539 -4.235 4.580 1.00 0.00 N ATOM 595 CA TRP A 42 2.181 -5.648 4.322 1.00 0.00 C ATOM 596 C TRP A 42 2.214 -6.430 5.636 1.00 0.00 C ATOM 597 O TRP A 42 1.663 -7.505 5.743 1.00 0.00 O ATOM 598 CB TRP A 42 3.263 -6.148 3.362 1.00 0.00 C ATOM 599 CG TRP A 42 3.087 -7.612 3.120 1.00 0.00 C ATOM 600 CD1 TRP A 42 1.971 -8.190 2.619 1.00 0.00 C ATOM 601 CD2 TRP A 42 4.035 -8.692 3.361 1.00 0.00 C ATOM 602 NE1 TRP A 42 2.174 -9.556 2.534 1.00 0.00 N ATOM 603 CE2 TRP A 42 3.431 -9.913 2.981 1.00 0.00 C ATOM 604 CE3 TRP A 42 5.346 -8.729 3.867 1.00 0.00 C ATOM 605 CZ2 TRP A 42 4.106 -11.129 3.098 1.00 0.00 C ATOM 606 CZ3 TRP A 42 6.028 -9.950 3.986 1.00 0.00 C ATOM 607 CH2 TRP A 42 5.409 -11.148 3.603 1.00 0.00 C ATOM 0 H TRP A 42 3.536 -4.026 4.520 1.00 0.00 H new ATOM 0 HA TRP A 42 1.182 -5.768 3.904 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.205 -5.605 2.419 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.251 -5.955 3.781 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.069 -7.670 2.332 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.481 -10.218 2.184 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.832 -7.812 4.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.625 -12.049 2.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.035 -9.967 4.375 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.938 -12.085 3.698 1.00 0.00 H new ATOM 618 N ASN A 43 2.850 -5.893 6.643 1.00 0.00 N ATOM 619 CA ASN A 43 2.903 -6.610 7.949 1.00 0.00 C ATOM 620 C ASN A 43 1.614 -6.362 8.728 1.00 0.00 C ATOM 621 O ASN A 43 1.122 -7.215 9.440 1.00 0.00 O ATOM 622 CB ASN A 43 4.103 -6.015 8.685 1.00 0.00 C ATOM 623 CG ASN A 43 5.360 -6.819 8.348 1.00 0.00 C ATOM 624 OD1 ASN A 43 5.334 -7.681 7.492 1.00 0.00 O ATOM 625 ND2 ASN A 43 6.469 -6.570 8.991 1.00 0.00 N ATOM 0 H ASN A 43 3.332 -4.994 6.618 1.00 0.00 H new ATOM 0 HA ASN A 43 3.002 -7.689 7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.238 -4.972 8.398 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.927 -6.030 9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.314 -7.099 8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.490 -5.846 9.709 1.00 0.00 H new ATOM 632 N ILE A 44 1.080 -5.183 8.600 1.00 0.00 N ATOM 633 CA ILE A 44 -0.168 -4.834 9.330 1.00 0.00 C ATOM 634 C ILE A 44 -1.401 -5.351 8.573 1.00 0.00 C ATOM 635 O ILE A 44 -2.287 -5.952 9.150 1.00 0.00 O ATOM 636 CB ILE A 44 -0.139 -3.298 9.382 1.00 0.00 C ATOM 637 CG1 ILE A 44 0.831 -2.851 10.476 1.00 0.00 C ATOM 638 CG2 ILE A 44 -1.529 -2.739 9.687 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.269 -3.082 10.010 1.00 0.00 C ATOM 0 H ILE A 44 1.458 -4.438 8.015 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.226 -5.281 10.322 1.00 0.00 H new ATOM 0 HB ILE A 44 0.184 -2.922 8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.677 -1.796 10.705 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.641 -3.407 11.394 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.484 -1.650 9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.225 -3.051 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.870 -3.117 10.651 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.960 -2.763 10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.419 -4.142 9.804 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.455 -2.506 9.103 1.00 0.00 H new ATOM 651 N ILE A 45 -1.474 -5.106 7.297 1.00 0.00 N ATOM 652 CA ILE A 45 -2.656 -5.562 6.515 1.00 0.00 C ATOM 653 C ILE A 45 -2.659 -7.087 6.355 1.00 0.00 C ATOM 654 O ILE A 45 -3.702 -7.706 6.329 1.00 0.00 O ATOM 655 CB ILE A 45 -2.525 -4.865 5.161 1.00 0.00 C ATOM 656 CG1 ILE A 45 -2.736 -3.363 5.358 1.00 0.00 C ATOM 657 CG2 ILE A 45 -3.586 -5.401 4.194 1.00 0.00 C ATOM 658 CD1 ILE A 45 -1.914 -2.591 4.330 1.00 0.00 C ATOM 0 H ILE A 45 -0.764 -4.608 6.759 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.594 -5.314 7.012 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.535 -5.055 4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.793 -3.117 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.441 -3.073 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.487 -4.900 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.448 -6.474 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.579 -5.211 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.066 -1.521 4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.858 -2.828 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.231 -2.872 3.326 1.00 0.00 H new ATOM 670 N GLU A 46 -1.511 -7.701 6.246 1.00 0.00 N ATOM 671 CA GLU A 46 -1.483 -9.185 6.084 1.00 0.00 C ATOM 672 C GLU A 46 -1.749 -9.874 7.425 1.00 0.00 C ATOM 673 O GLU A 46 -2.518 -10.811 7.510 1.00 0.00 O ATOM 674 CB GLU A 46 -0.077 -9.510 5.582 1.00 0.00 C ATOM 675 CG GLU A 46 -0.016 -10.975 5.145 1.00 0.00 C ATOM 676 CD GLU A 46 0.451 -11.838 6.318 1.00 0.00 C ATOM 677 OE1 GLU A 46 -0.380 -12.177 7.146 1.00 0.00 O ATOM 678 OE2 GLU A 46 1.630 -12.146 6.369 1.00 0.00 O ATOM 0 H GLU A 46 -0.599 -7.245 6.262 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.250 -9.534 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.182 -8.859 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.654 -9.324 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.997 -11.305 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.667 -11.086 4.303 1.00 0.00 H new ATOM 685 N ARG A 47 -1.118 -9.421 8.473 1.00 0.00 N ATOM 686 CA ARG A 47 -1.336 -10.056 9.805 1.00 0.00 C ATOM 687 C ARG A 47 -2.833 -10.127 10.124 1.00 0.00 C ATOM 688 O ARG A 47 -3.323 -11.117 10.633 1.00 0.00 O ATOM 689 CB ARG A 47 -0.621 -9.142 10.802 1.00 0.00 C ATOM 690 CG ARG A 47 0.836 -9.586 10.951 1.00 0.00 C ATOM 691 CD ARG A 47 1.615 -8.522 11.729 1.00 0.00 C ATOM 692 NE ARG A 47 2.168 -9.239 12.911 1.00 0.00 N ATOM 693 CZ ARG A 47 2.294 -8.617 14.052 1.00 0.00 C ATOM 694 NH1 ARG A 47 2.657 -7.362 14.075 1.00 0.00 N ATOM 695 NH2 ARG A 47 2.058 -9.248 15.170 1.00 0.00 N ATOM 0 H ARG A 47 -0.462 -8.640 8.466 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.956 -11.077 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.664 -8.108 10.459 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.123 -9.178 11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.885 -10.542 11.472 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.284 -9.735 9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.410 -8.091 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.966 -7.701 12.033 1.00 0.00 H new ATOM 0 HE ARG A 47 2.448 -10.216 12.829 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.842 -6.868 13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.755 -6.876 14.966 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.775 -10.228 15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.157 -8.761 16.061 1.00 0.00 H new ATOM 709 N LEU A 48 -3.566 -9.089 9.826 1.00 0.00 N ATOM 710 CA LEU A 48 -5.023 -9.106 10.116 1.00 0.00 C ATOM 711 C LEU A 48 -5.750 -9.868 8.994 1.00 0.00 C ATOM 712 O LEU A 48 -6.786 -10.467 9.204 1.00 0.00 O ATOM 713 CB LEU A 48 -5.384 -7.597 10.225 1.00 0.00 C ATOM 714 CG LEU A 48 -6.654 -7.201 9.451 1.00 0.00 C ATOM 715 CD1 LEU A 48 -6.405 -7.328 7.950 1.00 0.00 C ATOM 716 CD2 LEU A 48 -7.827 -8.091 9.866 1.00 0.00 C ATOM 0 H LEU A 48 -3.217 -8.233 9.395 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.318 -9.625 11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.516 -7.340 11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.546 -7.006 9.856 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.903 -6.166 9.685 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.307 -7.047 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.586 -6.669 7.660 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.144 -8.359 7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.719 -7.800 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.588 -9.132 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.011 -7.976 10.934 1.00 0.00 H new ATOM 728 N LEU A 49 -5.209 -9.853 7.807 1.00 0.00 N ATOM 729 CA LEU A 49 -5.865 -10.574 6.676 1.00 0.00 C ATOM 730 C LEU A 49 -6.003 -12.065 6.999 1.00 0.00 C ATOM 731 O LEU A 49 -7.058 -12.648 6.848 1.00 0.00 O ATOM 732 CB LEU A 49 -4.929 -10.382 5.482 1.00 0.00 C ATOM 733 CG LEU A 49 -5.698 -9.739 4.326 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.296 -8.269 4.198 1.00 0.00 C ATOM 735 CD2 LEU A 49 -5.365 -10.475 3.026 1.00 0.00 C ATOM 0 H LEU A 49 -4.341 -9.373 7.570 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.868 -10.193 6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.085 -9.753 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.519 -11.343 5.170 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.769 -9.804 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.844 -7.812 3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.531 -7.746 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.226 -8.200 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.911 -10.020 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.294 -10.408 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.652 -11.523 3.117 1.00 0.00 H new ATOM 747 N LYS A 50 -4.940 -12.686 7.426 1.00 0.00 N ATOM 748 CA LYS A 50 -5.001 -14.141 7.742 1.00 0.00 C ATOM 749 C LYS A 50 -5.785 -14.391 9.033 1.00 0.00 C ATOM 750 O LYS A 50 -6.429 -15.411 9.185 1.00 0.00 O ATOM 751 CB LYS A 50 -3.543 -14.563 7.913 1.00 0.00 C ATOM 752 CG LYS A 50 -3.477 -16.054 8.244 1.00 0.00 C ATOM 753 CD LYS A 50 -2.211 -16.655 7.631 1.00 0.00 C ATOM 754 CE LYS A 50 -2.511 -18.065 7.116 1.00 0.00 C ATOM 755 NZ LYS A 50 -1.220 -18.551 6.554 1.00 0.00 N ATOM 0 H LYS A 50 -4.030 -12.249 7.570 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.509 -14.706 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.985 -14.358 7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.077 -13.982 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.475 -16.198 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.359 -16.563 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.856 -16.026 6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.415 -16.690 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.861 -18.713 7.920 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.292 -18.050 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.344 -19.514 6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.915 -17.918 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.498 -18.561 7.302 1.00 0.00 H new ATOM 769 N GLU A 51 -5.729 -13.487 9.972 1.00 0.00 N ATOM 770 CA GLU A 51 -6.466 -13.710 11.250 1.00 0.00 C ATOM 771 C GLU A 51 -7.968 -13.452 11.077 1.00 0.00 C ATOM 772 O GLU A 51 -8.790 -14.191 11.581 1.00 0.00 O ATOM 773 CB GLU A 51 -5.864 -12.706 12.233 1.00 0.00 C ATOM 774 CG GLU A 51 -4.790 -13.398 13.076 1.00 0.00 C ATOM 775 CD GLU A 51 -5.159 -13.297 14.558 1.00 0.00 C ATOM 776 OE1 GLU A 51 -6.342 -13.269 14.853 1.00 0.00 O ATOM 777 OE2 GLU A 51 -4.252 -13.250 15.371 1.00 0.00 O ATOM 0 H GLU A 51 -5.210 -12.611 9.912 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.369 -14.740 11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.430 -11.866 11.691 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.643 -12.301 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.701 -14.444 12.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.820 -12.934 12.900 1.00 0.00 H new ATOM 784 N TRP A 52 -8.339 -12.411 10.383 1.00 0.00 N ATOM 785 CA TRP A 52 -9.794 -12.124 10.207 1.00 0.00 C ATOM 786 C TRP A 52 -10.240 -12.344 8.758 1.00 0.00 C ATOM 787 O TRP A 52 -11.390 -12.636 8.498 1.00 0.00 O ATOM 788 CB TRP A 52 -9.954 -10.657 10.602 1.00 0.00 C ATOM 789 CG TRP A 52 -9.834 -10.529 12.085 1.00 0.00 C ATOM 790 CD1 TRP A 52 -8.920 -9.771 12.733 1.00 0.00 C ATOM 791 CD2 TRP A 52 -10.637 -11.171 13.115 1.00 0.00 C ATOM 792 NE1 TRP A 52 -9.114 -9.903 14.095 1.00 0.00 N ATOM 793 CE2 TRP A 52 -10.162 -10.757 14.382 1.00 0.00 C ATOM 794 CE3 TRP A 52 -11.723 -12.062 13.072 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -10.745 -11.212 15.566 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -12.313 -12.523 14.262 1.00 0.00 C ATOM 797 CH2 TRP A 52 -11.824 -12.098 15.506 1.00 0.00 C ATOM 0 H TRP A 52 -7.705 -11.751 9.933 1.00 0.00 H new ATOM 0 HA TRP A 52 -10.410 -12.789 10.813 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -9.193 -10.051 10.110 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -10.923 -10.283 10.270 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -8.162 -9.162 12.263 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.552 -9.428 14.802 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -12.107 -12.395 12.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -10.365 -10.882 16.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -13.147 -13.208 14.218 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.281 -12.455 16.417 1.00 0.00 H new ATOM 808 N GLN A 53 -9.352 -12.194 7.810 1.00 0.00 N ATOM 809 CA GLN A 53 -9.748 -12.379 6.378 1.00 0.00 C ATOM 810 C GLN A 53 -10.861 -11.379 6.020 1.00 0.00 C ATOM 811 O GLN A 53 -11.993 -11.549 6.423 1.00 0.00 O ATOM 812 CB GLN A 53 -10.255 -13.821 6.273 1.00 0.00 C ATOM 813 CG GLN A 53 -9.284 -14.641 5.419 1.00 0.00 C ATOM 814 CD GLN A 53 -9.993 -15.890 4.890 1.00 0.00 C ATOM 815 OE1 GLN A 53 -11.151 -16.116 5.182 1.00 0.00 O ATOM 816 NE2 GLN A 53 -9.342 -16.717 4.118 1.00 0.00 N ATOM 0 H GLN A 53 -8.373 -11.952 7.962 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.920 -12.203 5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.343 -14.260 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.250 -13.837 5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.918 -14.039 4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.415 -14.927 6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.370 -16.528 3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.805 -17.552 3.760 1.00 0.00 H new ATOM 825 N PRO A 54 -10.497 -10.352 5.287 1.00 0.00 N ATOM 826 CA PRO A 54 -11.481 -9.307 4.899 1.00 0.00 C ATOM 827 C PRO A 54 -12.472 -9.831 3.860 1.00 0.00 C ATOM 828 O PRO A 54 -12.095 -10.389 2.848 1.00 0.00 O ATOM 829 CB PRO A 54 -10.615 -8.200 4.302 1.00 0.00 C ATOM 830 CG PRO A 54 -9.377 -8.893 3.834 1.00 0.00 C ATOM 831 CD PRO A 54 -9.159 -10.065 4.752 1.00 0.00 C ATOM 0 HA PRO A 54 -12.086 -8.973 5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.124 -7.701 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.384 -7.435 5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.488 -9.226 2.802 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.522 -8.217 3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.752 -10.922 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.455 -9.823 5.548 1.00 0.00 H new ATOM 839 N ASP A 55 -13.738 -9.645 4.104 1.00 0.00 N ATOM 840 CA ASP A 55 -14.766 -10.118 3.131 1.00 0.00 C ATOM 841 C ASP A 55 -14.908 -9.123 1.969 1.00 0.00 C ATOM 842 O ASP A 55 -15.047 -9.514 0.827 1.00 0.00 O ATOM 843 CB ASP A 55 -16.065 -10.199 3.934 1.00 0.00 C ATOM 844 CG ASP A 55 -16.601 -11.632 3.890 1.00 0.00 C ATOM 845 OD1 ASP A 55 -17.271 -11.962 2.926 1.00 0.00 O ATOM 846 OD2 ASP A 55 -16.331 -12.373 4.822 1.00 0.00 O ATOM 0 H ASP A 55 -14.108 -9.185 4.936 1.00 0.00 H new ATOM 0 HA ASP A 55 -14.500 -11.078 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.887 -9.897 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.803 -9.510 3.523 1.00 0.00 H new ATOM 851 N GLU A 56 -14.874 -7.841 2.243 1.00 0.00 N ATOM 852 CA GLU A 56 -15.007 -6.840 1.139 1.00 0.00 C ATOM 853 C GLU A 56 -13.927 -5.764 1.279 1.00 0.00 C ATOM 854 O GLU A 56 -13.414 -5.532 2.353 1.00 0.00 O ATOM 855 CB GLU A 56 -16.399 -6.233 1.319 1.00 0.00 C ATOM 856 CG GLU A 56 -17.052 -6.033 -0.050 1.00 0.00 C ATOM 857 CD GLU A 56 -18.310 -6.899 -0.148 1.00 0.00 C ATOM 858 OE1 GLU A 56 -18.997 -7.024 0.853 1.00 0.00 O ATOM 859 OE2 GLU A 56 -18.564 -7.421 -1.220 1.00 0.00 O ATOM 0 H GLU A 56 -14.761 -7.447 3.177 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.886 -7.288 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.015 -6.888 1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.326 -5.279 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.309 -4.983 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.351 -6.300 -0.841 1.00 0.00 H new ATOM 866 N ILE A 57 -13.558 -5.115 0.205 1.00 0.00 N ATOM 867 CA ILE A 57 -12.499 -4.070 0.316 1.00 0.00 C ATOM 868 C ILE A 57 -12.873 -2.768 -0.408 1.00 0.00 C ATOM 869 O ILE A 57 -13.357 -2.770 -1.522 1.00 0.00 O ATOM 870 CB ILE A 57 -11.244 -4.671 -0.299 1.00 0.00 C ATOM 871 CG1 ILE A 57 -10.857 -5.943 0.464 1.00 0.00 C ATOM 872 CG2 ILE A 57 -10.115 -3.645 -0.184 1.00 0.00 C ATOM 873 CD1 ILE A 57 -11.445 -7.167 -0.242 1.00 0.00 C ATOM 0 H ILE A 57 -13.938 -5.260 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 57 -12.358 -3.797 1.362 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.421 -4.923 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.772 -6.029 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.225 -5.890 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.204 -4.056 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.394 -2.736 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.941 -3.411 0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.168 -8.069 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.531 -7.082 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.055 -7.223 -1.258 1.00 0.00 H new ATOM 885 N ILE A 58 -12.600 -1.658 0.223 1.00 0.00 N ATOM 886 CA ILE A 58 -12.868 -0.321 -0.390 1.00 0.00 C ATOM 887 C ILE A 58 -11.501 0.357 -0.576 1.00 0.00 C ATOM 888 O ILE A 58 -10.808 0.575 0.383 1.00 0.00 O ATOM 889 CB ILE A 58 -13.710 0.493 0.624 1.00 0.00 C ATOM 890 CG1 ILE A 58 -14.176 -0.346 1.839 1.00 0.00 C ATOM 891 CG2 ILE A 58 -14.921 1.107 -0.083 1.00 0.00 C ATOM 892 CD1 ILE A 58 -15.286 -1.324 1.455 1.00 0.00 C ATOM 0 H ILE A 58 -12.194 -1.619 1.158 1.00 0.00 H new ATOM 0 HA ILE A 58 -13.397 -0.394 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.063 1.278 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.329 -0.898 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.532 0.319 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -15.510 1.678 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.580 1.767 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.536 0.313 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.587 -1.895 2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -16.143 -0.770 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.921 -2.005 0.687 1.00 0.00 H new ATOM 904 N VAL A 59 -11.068 0.649 -1.775 1.00 0.00 N ATOM 905 CA VAL A 59 -9.695 1.252 -1.917 1.00 0.00 C ATOM 906 C VAL A 59 -9.673 2.492 -2.824 1.00 0.00 C ATOM 907 O VAL A 59 -10.451 2.622 -3.746 1.00 0.00 O ATOM 908 CB VAL A 59 -8.859 0.126 -2.533 1.00 0.00 C ATOM 909 CG1 VAL A 59 -7.463 0.640 -2.903 1.00 0.00 C ATOM 910 CG2 VAL A 59 -8.714 -1.022 -1.530 1.00 0.00 C ATOM 0 H VAL A 59 -11.583 0.504 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.319 1.603 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.365 -0.227 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.880 -0.171 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.554 1.451 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.961 1.006 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.119 -1.820 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.219 -0.658 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.701 -1.406 -1.272 1.00 0.00 H new ATOM 920 N GLY A 60 -8.755 3.399 -2.565 1.00 0.00 N ATOM 921 CA GLY A 60 -8.646 4.621 -3.413 1.00 0.00 C ATOM 922 C GLY A 60 -7.680 5.640 -2.783 1.00 0.00 C ATOM 923 O GLY A 60 -7.881 6.097 -1.676 1.00 0.00 O ATOM 0 H GLY A 60 -8.080 3.340 -1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.295 4.348 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.630 5.073 -3.535 1.00 0.00 H new ATOM 927 N LEU A 61 -6.635 6.010 -3.485 1.00 0.00 N ATOM 928 CA LEU A 61 -5.674 7.015 -2.936 1.00 0.00 C ATOM 929 C LEU A 61 -6.386 8.377 -2.776 1.00 0.00 C ATOM 930 O LEU A 61 -7.314 8.679 -3.498 1.00 0.00 O ATOM 931 CB LEU A 61 -4.493 7.041 -3.951 1.00 0.00 C ATOM 932 CG LEU A 61 -4.607 8.140 -5.031 1.00 0.00 C ATOM 933 CD1 LEU A 61 -5.987 8.132 -5.688 1.00 0.00 C ATOM 934 CD2 LEU A 61 -4.330 9.512 -4.417 1.00 0.00 C ATOM 0 H LEU A 61 -6.407 5.658 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.299 6.770 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.561 7.182 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.430 6.070 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.864 7.932 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.035 8.917 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.160 7.164 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.751 8.309 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.413 10.279 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.055 9.710 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.324 9.527 -3.998 1.00 0.00 H new ATOM 1156 N ALA A 76 -5.029 5.748 -9.622 1.00 0.00 N ATOM 1157 CA ALA A 76 -5.846 5.141 -8.538 1.00 0.00 C ATOM 1158 C ALA A 76 -6.629 3.950 -9.086 1.00 0.00 C ATOM 1159 O ALA A 76 -6.687 2.898 -8.480 1.00 0.00 O ATOM 1160 CB ALA A 76 -6.808 6.248 -8.117 1.00 0.00 C ATOM 0 HA ALA A 76 -5.239 4.779 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.452 5.885 -7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.240 7.109 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.420 6.542 -8.970 1.00 0.00 H new ATOM 1166 N ARG A 77 -7.238 4.106 -10.229 1.00 0.00 N ATOM 1167 CA ARG A 77 -8.015 2.977 -10.805 1.00 0.00 C ATOM 1168 C ARG A 77 -7.088 1.789 -11.044 1.00 0.00 C ATOM 1169 O ARG A 77 -7.375 0.674 -10.653 1.00 0.00 O ATOM 1170 CB ARG A 77 -8.582 3.502 -12.123 1.00 0.00 C ATOM 1171 CG ARG A 77 -10.108 3.403 -12.099 1.00 0.00 C ATOM 1172 CD ARG A 77 -10.619 3.070 -13.502 1.00 0.00 C ATOM 1173 NE ARG A 77 -11.831 3.917 -13.682 1.00 0.00 N ATOM 1174 CZ ARG A 77 -11.760 5.016 -14.381 1.00 0.00 C ATOM 1175 NH1 ARG A 77 -11.616 4.959 -15.676 1.00 0.00 N ATOM 1176 NH2 ARG A 77 -11.833 6.175 -13.784 1.00 0.00 N ATOM 0 H ARG A 77 -7.231 4.961 -10.785 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.811 2.637 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.277 4.537 -12.275 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.183 2.926 -12.958 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.422 2.634 -11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.539 4.344 -11.757 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.867 3.292 -14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.860 2.011 -13.593 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.716 3.638 -13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.559 4.054 -16.143 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.561 5.819 -16.221 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.945 6.221 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.777 7.035 -14.330 1.00 0.00 H new ATOM 1190 N LYS A 78 -5.966 2.020 -11.662 1.00 0.00 N ATOM 1191 CA LYS A 78 -5.017 0.898 -11.895 1.00 0.00 C ATOM 1192 C LYS A 78 -4.397 0.488 -10.564 1.00 0.00 C ATOM 1193 O LYS A 78 -3.983 -0.639 -10.375 1.00 0.00 O ATOM 1194 CB LYS A 78 -3.956 1.451 -12.846 1.00 0.00 C ATOM 1195 CG LYS A 78 -4.536 1.545 -14.258 1.00 0.00 C ATOM 1196 CD LYS A 78 -3.460 1.164 -15.276 1.00 0.00 C ATOM 1197 CE LYS A 78 -2.301 2.156 -15.189 1.00 0.00 C ATOM 1198 NZ LYS A 78 -1.083 1.314 -15.038 1.00 0.00 N ATOM 0 H LYS A 78 -5.666 2.929 -12.014 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.499 0.017 -12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.628 2.435 -12.510 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.078 0.805 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.395 0.881 -14.355 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.892 2.557 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.102 0.153 -15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.879 1.166 -16.282 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.244 2.776 -16.084 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.422 2.831 -14.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.244 1.925 -14.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.162 0.740 -14.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.990 0.687 -15.863 1.00 0.00 H new ATOM 1212 N PHE A 79 -4.351 1.394 -9.629 1.00 0.00 N ATOM 1213 CA PHE A 79 -3.780 1.052 -8.302 1.00 0.00 C ATOM 1214 C PHE A 79 -4.658 -0.038 -7.673 1.00 0.00 C ATOM 1215 O PHE A 79 -4.170 -1.024 -7.159 1.00 0.00 O ATOM 1216 CB PHE A 79 -3.813 2.378 -7.514 1.00 0.00 C ATOM 1217 CG PHE A 79 -4.056 2.135 -6.040 1.00 0.00 C ATOM 1218 CD1 PHE A 79 -3.151 1.370 -5.295 1.00 0.00 C ATOM 1219 CD2 PHE A 79 -5.193 2.670 -5.427 1.00 0.00 C ATOM 1220 CE1 PHE A 79 -3.385 1.142 -3.935 1.00 0.00 C ATOM 1221 CE2 PHE A 79 -5.427 2.444 -4.068 1.00 0.00 C ATOM 1222 CZ PHE A 79 -4.524 1.680 -3.321 1.00 0.00 C ATOM 0 H PHE A 79 -4.683 2.353 -9.727 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.764 0.658 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.869 2.906 -7.647 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.597 3.021 -7.913 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.273 0.956 -5.770 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.891 3.258 -6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.688 0.552 -3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.305 2.859 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.705 1.505 -2.271 1.00 0.00 H new ATOM 1232 N ALA A 80 -5.949 0.130 -7.732 1.00 0.00 N ATOM 1233 CA ALA A 80 -6.855 -0.899 -7.161 1.00 0.00 C ATOM 1234 C ALA A 80 -6.656 -2.214 -7.914 1.00 0.00 C ATOM 1235 O ALA A 80 -6.821 -3.286 -7.367 1.00 0.00 O ATOM 1236 CB ALA A 80 -8.268 -0.354 -7.375 1.00 0.00 C ATOM 0 H ALA A 80 -6.414 0.935 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.665 -1.095 -6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.995 -1.062 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.372 0.601 -6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.446 -0.212 -8.441 1.00 0.00 H new ATOM 1242 N ASN A 81 -6.285 -2.141 -9.167 1.00 0.00 N ATOM 1243 CA ASN A 81 -6.060 -3.392 -9.942 1.00 0.00 C ATOM 1244 C ASN A 81 -4.842 -4.133 -9.382 1.00 0.00 C ATOM 1245 O ASN A 81 -4.700 -5.328 -9.543 1.00 0.00 O ATOM 1246 CB ASN A 81 -5.799 -2.928 -11.375 1.00 0.00 C ATOM 1247 CG ASN A 81 -6.336 -3.972 -12.356 1.00 0.00 C ATOM 1248 OD1 ASN A 81 -7.530 -4.085 -12.548 1.00 0.00 O ATOM 1249 ND2 ASN A 81 -5.497 -4.747 -12.989 1.00 0.00 N ATOM 0 H ASN A 81 -6.130 -1.274 -9.682 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.906 -4.077 -9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.282 -1.967 -11.551 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.730 -2.782 -11.532 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.844 -5.447 -13.645 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.494 -4.652 -12.828 1.00 0.00 H new ATOM 1256 N ARG A 82 -3.961 -3.426 -8.723 1.00 0.00 N ATOM 1257 CA ARG A 82 -2.750 -4.086 -8.150 1.00 0.00 C ATOM 1258 C ARG A 82 -3.103 -4.816 -6.848 1.00 0.00 C ATOM 1259 O ARG A 82 -2.884 -6.004 -6.715 1.00 0.00 O ATOM 1260 CB ARG A 82 -1.777 -2.940 -7.873 1.00 0.00 C ATOM 1261 CG ARG A 82 -0.344 -3.473 -7.870 1.00 0.00 C ATOM 1262 CD ARG A 82 0.584 -2.444 -8.517 1.00 0.00 C ATOM 1263 NE ARG A 82 1.235 -3.168 -9.643 1.00 0.00 N ATOM 1264 CZ ARG A 82 2.469 -2.896 -9.968 1.00 0.00 C ATOM 1265 NH1 ARG A 82 2.821 -1.665 -10.223 1.00 0.00 N ATOM 1266 NH2 ARG A 82 3.351 -3.855 -10.036 1.00 0.00 N ATOM 0 H ARG A 82 -4.027 -2.422 -8.557 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.328 -4.832 -8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.886 -2.166 -8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.006 -2.479 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.023 -3.677 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.294 -4.416 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.026 -1.578 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.322 -2.075 -7.805 1.00 0.00 H new ATOM 0 HE ARG A 82 0.716 -3.877 -10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.131 -0.916 -10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.786 -1.453 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.076 -4.816 -9.835 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.316 -3.643 -10.290 1.00 0.00 H new ATOM 1280 N ILE A 83 -3.644 -4.117 -5.886 1.00 0.00 N ATOM 1281 CA ILE A 83 -4.008 -4.776 -4.596 1.00 0.00 C ATOM 1282 C ILE A 83 -4.953 -5.956 -4.845 1.00 0.00 C ATOM 1283 O ILE A 83 -4.980 -6.911 -4.095 1.00 0.00 O ATOM 1284 CB ILE A 83 -4.715 -3.688 -3.788 1.00 0.00 C ATOM 1285 CG1 ILE A 83 -5.957 -3.220 -4.557 1.00 0.00 C ATOM 1286 CG2 ILE A 83 -3.759 -2.510 -3.577 1.00 0.00 C ATOM 1287 CD1 ILE A 83 -6.605 -2.040 -3.831 1.00 0.00 C ATOM 0 H ILE A 83 -3.850 -3.119 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.137 -5.175 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.016 -4.082 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.679 -2.927 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.670 -4.039 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.261 -1.733 -3.001 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.876 -2.850 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.458 -2.108 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.486 -1.713 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.899 -2.347 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.892 -1.218 -3.765 1.00 0.00 H new ATOM 1299 N HIS A 84 -5.733 -5.893 -5.889 1.00 0.00 N ATOM 1300 CA HIS A 84 -6.681 -7.006 -6.185 1.00 0.00 C ATOM 1301 C HIS A 84 -5.914 -8.252 -6.642 1.00 0.00 C ATOM 1302 O HIS A 84 -6.117 -9.339 -6.138 1.00 0.00 O ATOM 1303 CB HIS A 84 -7.566 -6.466 -7.315 1.00 0.00 C ATOM 1304 CG HIS A 84 -8.451 -7.562 -7.847 1.00 0.00 C ATOM 1305 ND1 HIS A 84 -8.059 -8.388 -8.889 1.00 0.00 N ATOM 1306 CD2 HIS A 84 -9.711 -7.977 -7.493 1.00 0.00 C ATOM 1307 CE1 HIS A 84 -9.066 -9.251 -9.123 1.00 0.00 C ATOM 1308 NE2 HIS A 84 -10.098 -9.044 -8.299 1.00 0.00 N ATOM 0 H HIS A 84 -5.755 -5.118 -6.551 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.263 -7.303 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.176 -5.641 -6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.944 -6.069 -8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.311 -7.541 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.043 -10.017 -9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.979 -9.557 -8.268 1.00 0.00 H new ATOM 1316 N GLY A 85 -5.045 -8.100 -7.600 1.00 0.00 N ATOM 1317 CA GLY A 85 -4.268 -9.268 -8.104 1.00 0.00 C ATOM 1318 C GLY A 85 -3.194 -9.671 -7.090 1.00 0.00 C ATOM 1319 O GLY A 85 -2.631 -10.746 -7.169 1.00 0.00 O ATOM 0 H GLY A 85 -4.837 -7.213 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.939 -10.108 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.802 -9.019 -9.057 1.00 0.00 H new ATOM 1323 N ARG A 86 -2.890 -8.822 -6.145 1.00 0.00 N ATOM 1324 CA ARG A 86 -1.837 -9.174 -5.148 1.00 0.00 C ATOM 1325 C ARG A 86 -2.370 -10.199 -4.145 1.00 0.00 C ATOM 1326 O ARG A 86 -1.706 -11.162 -3.816 1.00 0.00 O ATOM 1327 CB ARG A 86 -1.496 -7.863 -4.440 1.00 0.00 C ATOM 1328 CG ARG A 86 -0.212 -8.044 -3.626 1.00 0.00 C ATOM 1329 CD ARG A 86 0.601 -6.748 -3.656 1.00 0.00 C ATOM 1330 NE ARG A 86 1.807 -7.071 -4.471 1.00 0.00 N ATOM 1331 CZ ARG A 86 2.978 -6.622 -4.109 1.00 0.00 C ATOM 1332 NH1 ARG A 86 3.629 -7.205 -3.139 1.00 0.00 N ATOM 1333 NH2 ARG A 86 3.498 -5.592 -4.718 1.00 0.00 N ATOM 0 H ARG A 86 -3.322 -7.906 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.963 -9.620 -5.622 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.367 -7.065 -5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.316 -7.566 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.456 -8.309 -2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.377 -8.865 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.030 -5.933 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.877 -6.431 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 86 1.717 -7.643 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.223 -8.011 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.544 -6.854 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.990 -5.138 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.413 -5.241 -4.435 1.00 0.00 H new ATOM 1347 N PHE A 87 -3.564 -10.003 -3.659 1.00 0.00 N ATOM 1348 CA PHE A 87 -4.134 -10.970 -2.681 1.00 0.00 C ATOM 1349 C PHE A 87 -5.338 -11.699 -3.290 1.00 0.00 C ATOM 1350 O PHE A 87 -5.836 -12.659 -2.734 1.00 0.00 O ATOM 1351 CB PHE A 87 -4.575 -10.114 -1.492 1.00 0.00 C ATOM 1352 CG PHE A 87 -3.400 -9.876 -0.571 1.00 0.00 C ATOM 1353 CD1 PHE A 87 -2.903 -10.921 0.217 1.00 0.00 C ATOM 1354 CD2 PHE A 87 -2.810 -8.608 -0.503 1.00 0.00 C ATOM 1355 CE1 PHE A 87 -1.817 -10.698 1.073 1.00 0.00 C ATOM 1356 CE2 PHE A 87 -1.724 -8.385 0.353 1.00 0.00 C ATOM 1357 CZ PHE A 87 -1.229 -9.430 1.141 1.00 0.00 C ATOM 0 H PHE A 87 -4.168 -9.216 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.414 -11.735 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.972 -9.162 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.378 -10.613 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.357 -11.899 0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.193 -7.801 -1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.434 -11.504 1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.269 -7.407 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.393 -9.258 1.802 1.00 0.00 H new ATOM 1367 N GLY A 88 -5.823 -11.248 -4.417 1.00 0.00 N ATOM 1368 CA GLY A 88 -7.001 -11.915 -5.037 1.00 0.00 C ATOM 1369 C GLY A 88 -8.234 -11.584 -4.201 1.00 0.00 C ATOM 1370 O GLY A 88 -9.049 -12.436 -3.902 1.00 0.00 O ATOM 0 H GLY A 88 -5.454 -10.449 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.135 -11.572 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.849 -12.993 -5.078 1.00 0.00 H new ATOM 1374 N VAL A 89 -8.362 -10.349 -3.809 1.00 0.00 N ATOM 1375 CA VAL A 89 -9.525 -9.943 -2.971 1.00 0.00 C ATOM 1376 C VAL A 89 -10.493 -9.066 -3.767 1.00 0.00 C ATOM 1377 O VAL A 89 -10.115 -8.393 -4.705 1.00 0.00 O ATOM 1378 CB VAL A 89 -8.923 -9.152 -1.819 1.00 0.00 C ATOM 1379 CG1 VAL A 89 -7.989 -10.053 -1.012 1.00 0.00 C ATOM 1380 CG2 VAL A 89 -8.136 -7.980 -2.390 1.00 0.00 C ATOM 0 H VAL A 89 -7.709 -9.599 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.096 -10.806 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.715 -8.785 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.559 -9.485 -0.187 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.552 -10.898 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.190 -10.419 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.699 -7.404 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.342 -8.355 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.803 -7.341 -2.969 1.00 0.00 H new ATOM 1390 N GLU A 90 -11.738 -9.070 -3.388 1.00 0.00 N ATOM 1391 CA GLU A 90 -12.748 -8.238 -4.104 1.00 0.00 C ATOM 1392 C GLU A 90 -12.519 -6.758 -3.786 1.00 0.00 C ATOM 1393 O GLU A 90 -13.071 -6.222 -2.845 1.00 0.00 O ATOM 1394 CB GLU A 90 -14.100 -8.698 -3.558 1.00 0.00 C ATOM 1395 CG GLU A 90 -15.109 -8.797 -4.705 1.00 0.00 C ATOM 1396 CD GLU A 90 -15.695 -7.413 -4.991 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -14.921 -6.480 -5.130 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -16.909 -7.309 -5.068 1.00 0.00 O ATOM 0 H GLU A 90 -12.104 -9.616 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.688 -8.350 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.995 -9.666 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.458 -7.996 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.623 -9.189 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.905 -9.494 -4.444 1.00 0.00 H new ATOM 1405 N VAL A 91 -11.693 -6.101 -4.551 1.00 0.00 N ATOM 1406 CA VAL A 91 -11.407 -4.675 -4.287 1.00 0.00 C ATOM 1407 C VAL A 91 -12.398 -3.761 -5.012 1.00 0.00 C ATOM 1408 O VAL A 91 -12.920 -4.079 -6.062 1.00 0.00 O ATOM 1409 CB VAL A 91 -9.971 -4.484 -4.780 1.00 0.00 C ATOM 1410 CG1 VAL A 91 -9.930 -4.081 -6.258 1.00 0.00 C ATOM 1411 CG2 VAL A 91 -9.303 -3.408 -3.943 1.00 0.00 C ATOM 0 H VAL A 91 -11.203 -6.499 -5.352 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.512 -4.413 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.443 -5.432 -4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.894 -3.954 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.399 -4.859 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.468 -3.143 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.279 -3.264 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.855 -2.473 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.296 -3.713 -2.897 1.00 0.00 H new ATOM 1421 N LYS A 92 -12.634 -2.621 -4.446 1.00 0.00 N ATOM 1422 CA LYS A 92 -13.571 -1.640 -5.065 1.00 0.00 C ATOM 1423 C LYS A 92 -12.924 -0.254 -5.067 1.00 0.00 C ATOM 1424 O LYS A 92 -12.424 0.204 -4.058 1.00 0.00 O ATOM 1425 CB LYS A 92 -14.811 -1.652 -4.169 1.00 0.00 C ATOM 1426 CG LYS A 92 -15.887 -2.545 -4.792 1.00 0.00 C ATOM 1427 CD LYS A 92 -17.169 -1.734 -4.995 1.00 0.00 C ATOM 1428 CE LYS A 92 -18.379 -2.580 -4.594 1.00 0.00 C ATOM 1429 NZ LYS A 92 -19.254 -2.593 -5.799 1.00 0.00 N ATOM 0 H LYS A 92 -12.215 -2.316 -3.568 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.820 -1.888 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.551 -2.018 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -15.192 -0.638 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.539 -2.940 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.084 -3.400 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -17.134 -0.824 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -17.256 -1.427 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.079 -3.589 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -18.895 -2.150 -3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.107 -3.155 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.529 -1.619 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -18.738 -3.014 -6.598 1.00 0.00 H new ATOM 1443 N LEU A 93 -12.923 0.420 -6.183 1.00 0.00 N ATOM 1444 CA LEU A 93 -12.301 1.766 -6.228 1.00 0.00 C ATOM 1445 C LEU A 93 -13.400 2.836 -6.172 1.00 0.00 C ATOM 1446 O LEU A 93 -14.343 2.815 -6.938 1.00 0.00 O ATOM 1447 CB LEU A 93 -11.514 1.764 -7.558 1.00 0.00 C ATOM 1448 CG LEU A 93 -11.345 3.174 -8.151 1.00 0.00 C ATOM 1449 CD1 LEU A 93 -12.642 3.581 -8.845 1.00 0.00 C ATOM 1450 CD2 LEU A 93 -10.999 4.190 -7.052 1.00 0.00 C ATOM 0 H LEU A 93 -13.326 0.095 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.640 1.989 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.531 1.324 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.030 1.130 -8.280 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.527 3.161 -8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.531 4.579 -9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.866 2.872 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.457 3.583 -8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.884 5.180 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.800 4.214 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.067 3.899 -6.568 1.00 0.00 H new ATOM 1462 N HIS A 94 -13.285 3.764 -5.262 1.00 0.00 N ATOM 1463 CA HIS A 94 -14.318 4.834 -5.145 1.00 0.00 C ATOM 1464 C HIS A 94 -13.982 6.001 -6.077 1.00 0.00 C ATOM 1465 O HIS A 94 -13.049 6.743 -5.845 1.00 0.00 O ATOM 1466 CB HIS A 94 -14.256 5.279 -3.683 1.00 0.00 C ATOM 1467 CG HIS A 94 -15.520 6.008 -3.322 1.00 0.00 C ATOM 1468 ND1 HIS A 94 -15.869 7.217 -3.902 1.00 0.00 N ATOM 1469 CD2 HIS A 94 -16.526 5.715 -2.434 1.00 0.00 C ATOM 1470 CE1 HIS A 94 -17.039 7.604 -3.362 1.00 0.00 C ATOM 1471 NE2 HIS A 94 -17.484 6.724 -2.461 1.00 0.00 N ATOM 0 H HIS A 94 -12.518 3.828 -4.592 1.00 0.00 H new ATOM 0 HA HIS A 94 -15.311 4.484 -5.425 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.126 4.413 -3.034 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.394 5.927 -3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.567 4.835 -1.809 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.556 8.515 -3.625 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.341 6.780 -1.911 1.00 0.00 H new ATOM 1909 N SER A 123 -4.799 9.043 8.115 1.00 0.00 N ATOM 1910 CA SER A 123 -5.516 7.841 7.599 1.00 0.00 C ATOM 1911 C SER A 123 -7.029 8.023 7.745 1.00 0.00 C ATOM 1912 O SER A 123 -7.771 7.069 7.860 1.00 0.00 O ATOM 1913 CB SER A 123 -5.028 6.684 8.470 1.00 0.00 C ATOM 1914 OG SER A 123 -4.423 5.697 7.644 1.00 0.00 O ATOM 0 HA SER A 123 -5.319 7.666 6.541 1.00 0.00 H new ATOM 0 HB2 SER A 123 -4.312 7.046 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 123 -5.863 6.251 9.021 1.00 0.00 H new ATOM 0 HG SER A 123 -3.815 5.148 8.182 1.00 0.00 H new ATOM 1920 N ALA A 124 -7.491 9.244 7.745 1.00 0.00 N ATOM 1921 CA ALA A 124 -8.955 9.487 7.884 1.00 0.00 C ATOM 1922 C ALA A 124 -9.662 9.251 6.546 1.00 0.00 C ATOM 1923 O ALA A 124 -10.744 8.702 6.492 1.00 0.00 O ATOM 1924 CB ALA A 124 -9.076 10.952 8.302 1.00 0.00 C ATOM 0 H ALA A 124 -6.918 10.083 7.655 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.416 8.816 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -10.128 11.210 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.552 11.106 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.635 11.587 7.534 1.00 0.00 H new ATOM 1930 N SER A 125 -9.061 9.670 5.467 1.00 0.00 N ATOM 1931 CA SER A 125 -9.697 9.482 4.131 1.00 0.00 C ATOM 1932 C SER A 125 -10.088 8.016 3.911 1.00 0.00 C ATOM 1933 O SER A 125 -10.964 7.716 3.130 1.00 0.00 O ATOM 1934 CB SER A 125 -8.632 9.913 3.125 1.00 0.00 C ATOM 1935 OG SER A 125 -8.525 11.331 3.136 1.00 0.00 O ATOM 0 H SER A 125 -8.154 10.136 5.452 1.00 0.00 H new ATOM 0 HA SER A 125 -10.615 10.061 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.672 9.462 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.895 9.564 2.127 1.00 0.00 H new ATOM 0 HG SER A 125 -7.841 11.612 2.493 1.00 0.00 H new ATOM 1941 N ALA A 126 -9.459 7.103 4.598 1.00 0.00 N ATOM 1942 CA ALA A 126 -9.810 5.666 4.428 1.00 0.00 C ATOM 1943 C ALA A 126 -11.004 5.339 5.307 1.00 0.00 C ATOM 1944 O ALA A 126 -12.015 4.895 4.826 1.00 0.00 O ATOM 1945 CB ALA A 126 -8.574 4.894 4.865 1.00 0.00 C ATOM 0 H ALA A 126 -8.716 7.291 5.271 1.00 0.00 H new ATOM 0 HA ALA A 126 -10.083 5.413 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.759 3.824 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.729 5.175 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.347 5.129 5.905 1.00 0.00 H new ATOM 1951 N VAL A 127 -10.924 5.599 6.588 1.00 0.00 N ATOM 1952 CA VAL A 127 -12.117 5.340 7.461 1.00 0.00 C ATOM 1953 C VAL A 127 -13.300 6.099 6.826 1.00 0.00 C ATOM 1954 O VAL A 127 -14.446 5.715 6.956 1.00 0.00 O ATOM 1955 CB VAL A 127 -11.774 5.785 8.927 1.00 0.00 C ATOM 1956 CG1 VAL A 127 -10.447 6.539 9.036 1.00 0.00 C ATOM 1957 CG2 VAL A 127 -12.885 6.654 9.519 1.00 0.00 C ATOM 0 H VAL A 127 -10.102 5.972 7.063 1.00 0.00 H new ATOM 0 HA VAL A 127 -12.391 4.287 7.527 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.682 4.859 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.271 6.817 10.075 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.635 5.899 8.689 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -10.488 7.438 8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -12.617 6.945 10.535 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -13.014 7.547 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -13.817 6.090 9.538 1.00 0.00 H new ATOM 1967 N ILE A 128 -13.005 7.131 6.066 1.00 0.00 N ATOM 1968 CA ILE A 128 -14.083 7.851 5.343 1.00 0.00 C ATOM 1969 C ILE A 128 -14.534 6.915 4.211 1.00 0.00 C ATOM 1970 O ILE A 128 -15.711 6.677 4.021 1.00 0.00 O ATOM 1971 CB ILE A 128 -13.428 9.155 4.831 1.00 0.00 C ATOM 1972 CG1 ILE A 128 -13.743 10.288 5.810 1.00 0.00 C ATOM 1973 CG2 ILE A 128 -13.960 9.546 3.443 1.00 0.00 C ATOM 1974 CD1 ILE A 128 -12.939 10.101 7.097 1.00 0.00 C ATOM 0 H ILE A 128 -12.064 7.498 5.921 1.00 0.00 H new ATOM 0 HA ILE A 128 -14.960 8.108 5.938 1.00 0.00 H new ATOM 0 HB ILE A 128 -12.353 8.988 4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -13.502 11.250 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -14.809 10.300 6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -13.478 10.467 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -13.742 8.749 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -15.038 9.700 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -13.168 10.911 7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -13.201 9.147 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -11.874 10.112 6.865 1.00 0.00 H new ATOM 1986 N ILE A 129 -13.594 6.329 3.498 1.00 0.00 N ATOM 1987 CA ILE A 129 -13.987 5.351 2.433 1.00 0.00 C ATOM 1988 C ILE A 129 -14.700 4.199 3.143 1.00 0.00 C ATOM 1989 O ILE A 129 -15.730 3.703 2.721 1.00 0.00 O ATOM 1990 CB ILE A 129 -12.672 4.870 1.803 1.00 0.00 C ATOM 1991 CG1 ILE A 129 -12.054 5.995 0.981 1.00 0.00 C ATOM 1992 CG2 ILE A 129 -12.923 3.678 0.870 1.00 0.00 C ATOM 1993 CD1 ILE A 129 -10.595 5.648 0.704 1.00 0.00 C ATOM 0 H ILE A 129 -12.592 6.483 3.606 1.00 0.00 H new ATOM 0 HA ILE A 129 -14.641 5.766 1.666 1.00 0.00 H new ATOM 0 HB ILE A 129 -12.001 4.570 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -12.597 6.122 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -12.123 6.940 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -11.979 3.352 0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -13.362 2.858 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -13.606 3.976 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -10.137 6.443 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -10.061 5.541 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -10.543 4.711 0.150 1.00 0.00 H new ATOM 2005 N LEU A 130 -14.145 3.815 4.259 1.00 0.00 N ATOM 2006 CA LEU A 130 -14.729 2.740 5.102 1.00 0.00 C ATOM 2007 C LEU A 130 -16.166 3.137 5.456 1.00 0.00 C ATOM 2008 O LEU A 130 -17.094 2.370 5.314 1.00 0.00 O ATOM 2009 CB LEU A 130 -13.820 2.741 6.348 1.00 0.00 C ATOM 2010 CG LEU A 130 -13.941 1.440 7.151 1.00 0.00 C ATOM 2011 CD1 LEU A 130 -15.398 1.152 7.434 1.00 0.00 C ATOM 2012 CD2 LEU A 130 -13.342 0.270 6.377 1.00 0.00 C ATOM 0 H LEU A 130 -13.284 4.216 4.630 1.00 0.00 H new ATOM 0 HA LEU A 130 -14.774 1.758 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -12.784 2.882 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -14.081 3.586 6.986 1.00 0.00 H new ATOM 0 HG LEU A 130 -13.395 1.561 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -15.482 0.227 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -15.826 1.973 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -15.938 1.048 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.439 -0.643 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -13.871 0.150 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.288 0.465 6.181 1.00 0.00 H new ATOM 2024 N GLU A 131 -16.356 4.349 5.899 1.00 0.00 N ATOM 2025 CA GLU A 131 -17.730 4.810 6.245 1.00 0.00 C ATOM 2026 C GLU A 131 -18.649 4.674 5.028 1.00 0.00 C ATOM 2027 O GLU A 131 -19.857 4.620 5.151 1.00 0.00 O ATOM 2028 CB GLU A 131 -17.568 6.281 6.633 1.00 0.00 C ATOM 2029 CG GLU A 131 -18.067 6.490 8.064 1.00 0.00 C ATOM 2030 CD GLU A 131 -19.469 7.100 8.034 1.00 0.00 C ATOM 2031 OE1 GLU A 131 -20.236 6.730 7.160 1.00 0.00 O ATOM 2032 OE2 GLU A 131 -19.754 7.924 8.887 1.00 0.00 O ATOM 0 H GLU A 131 -15.619 5.040 6.036 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.175 4.224 7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.521 6.575 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.129 6.913 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -18.084 5.539 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.385 7.146 8.605 1.00 0.00 H new ATOM 2039 N SER A 132 -18.085 4.627 3.851 1.00 0.00 N ATOM 2040 CA SER A 132 -18.922 4.504 2.623 1.00 0.00 C ATOM 2041 C SER A 132 -19.557 3.109 2.535 1.00 0.00 C ATOM 2042 O SER A 132 -20.747 2.976 2.333 1.00 0.00 O ATOM 2043 CB SER A 132 -17.952 4.743 1.460 1.00 0.00 C ATOM 2044 OG SER A 132 -17.486 3.495 0.955 1.00 0.00 O ATOM 0 H SER A 132 -17.079 4.669 3.687 1.00 0.00 H new ATOM 0 HA SER A 132 -19.749 5.214 2.615 1.00 0.00 H new ATOM 0 HB2 SER A 132 -18.450 5.303 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 132 -17.109 5.347 1.796 1.00 0.00 H new ATOM 0 HG SER A 132 -16.698 3.210 1.463 1.00 0.00 H new ATOM 2050 N TYR A 133 -18.775 2.071 2.675 1.00 0.00 N ATOM 2051 CA TYR A 133 -19.354 0.695 2.586 1.00 0.00 C ATOM 2052 C TYR A 133 -20.472 0.522 3.632 1.00 0.00 C ATOM 2053 O TYR A 133 -21.503 -0.057 3.355 1.00 0.00 O ATOM 2054 CB TYR A 133 -18.156 -0.256 2.795 1.00 0.00 C ATOM 2055 CG TYR A 133 -18.285 -1.084 4.056 1.00 0.00 C ATOM 2056 CD1 TYR A 133 -19.011 -2.280 4.050 1.00 0.00 C ATOM 2057 CD2 TYR A 133 -17.665 -0.653 5.221 1.00 0.00 C ATOM 2058 CE1 TYR A 133 -19.109 -3.040 5.221 1.00 0.00 C ATOM 2059 CE2 TYR A 133 -17.763 -1.402 6.390 1.00 0.00 C ATOM 2060 CZ TYR A 133 -18.487 -2.601 6.396 1.00 0.00 C ATOM 2061 OH TYR A 133 -18.584 -3.348 7.552 1.00 0.00 O ATOM 0 H TYR A 133 -17.770 2.113 2.845 1.00 0.00 H new ATOM 0 HA TYR A 133 -19.833 0.485 1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -18.070 -0.921 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -17.237 0.328 2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -19.494 -2.616 3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -17.103 0.269 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -19.665 -3.966 5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -17.280 -1.058 7.293 1.00 0.00 H new ATOM 0 HH TYR A 133 -18.190 -2.849 8.298 1.00 0.00 H new ATOM 2071 N PHE A 134 -20.284 1.024 4.828 1.00 0.00 N ATOM 2072 CA PHE A 134 -21.352 0.881 5.864 1.00 0.00 C ATOM 2073 C PHE A 134 -22.677 1.408 5.309 1.00 0.00 C ATOM 2074 O PHE A 134 -23.741 0.933 5.652 1.00 0.00 O ATOM 2075 CB PHE A 134 -20.896 1.732 7.054 1.00 0.00 C ATOM 2076 CG PHE A 134 -19.883 0.966 7.876 1.00 0.00 C ATOM 2077 CD1 PHE A 134 -20.104 -0.381 8.199 1.00 0.00 C ATOM 2078 CD2 PHE A 134 -18.714 1.602 8.308 1.00 0.00 C ATOM 2079 CE1 PHE A 134 -19.151 -1.087 8.944 1.00 0.00 C ATOM 2080 CE2 PHE A 134 -17.768 0.898 9.059 1.00 0.00 C ATOM 2081 CZ PHE A 134 -17.983 -0.447 9.376 1.00 0.00 C ATOM 0 H PHE A 134 -19.446 1.522 5.129 1.00 0.00 H new ATOM 0 HA PHE A 134 -21.505 -0.158 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -20.458 2.665 6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -21.753 1.997 7.672 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -21.008 -0.873 7.873 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -18.542 2.639 8.061 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -19.317 -2.126 9.186 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.869 1.394 9.395 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.250 -0.991 9.953 1.00 0.00 H new ATOM 2091 N GLU A 135 -22.613 2.384 4.445 1.00 0.00 N ATOM 2092 CA GLU A 135 -23.862 2.940 3.855 1.00 0.00 C ATOM 2093 C GLU A 135 -24.352 2.035 2.721 1.00 0.00 C ATOM 2094 O GLU A 135 -25.508 2.061 2.350 1.00 0.00 O ATOM 2095 CB GLU A 135 -23.468 4.315 3.314 1.00 0.00 C ATOM 2096 CG GLU A 135 -23.838 5.392 4.336 1.00 0.00 C ATOM 2097 CD GLU A 135 -24.088 6.717 3.613 1.00 0.00 C ATOM 2098 OE1 GLU A 135 -23.608 6.862 2.501 1.00 0.00 O ATOM 2099 OE2 GLU A 135 -24.753 7.564 4.184 1.00 0.00 O ATOM 0 H GLU A 135 -21.749 2.820 4.123 1.00 0.00 H new ATOM 0 HA GLU A 135 -24.671 3.008 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -22.398 4.344 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -23.977 4.505 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -24.729 5.093 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -23.035 5.509 5.064 1.00 0.00 H new