USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 9 TYR OH : rot 180:sc= 0.0296 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 160:sc= 0.505 (180deg=-0.466) USER MOD Single : A 5 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.0012) USER MOD Single : A 6 TYR OH : rot 150:sc= 0.633 USER MOD Single : A 15 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.74) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 175:sc= -0.472 USER MOD Single : A 39 THR OG1 : rot 37:sc= 0.202 USER MOD Single : A 43 THR OG1 : rot 60:sc= -0.819 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -23:sc= 0.314 USER MOD Single : A 62 CYS SG : rot 107:sc= -3.02! USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= -0.768 (180deg=-2.48) USER MOD Single : A 69 SER OG : rot 177:sc= -0.536 USER MOD Single : A 70 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 5.803 1.867 -11.107 1.00 0.00 N ATOM 35 CA VAL A 3 5.652 2.576 -9.798 1.00 0.00 C ATOM 36 C VAL A 3 5.175 4.007 -10.011 1.00 0.00 C ATOM 37 O VAL A 3 5.385 4.606 -11.045 1.00 0.00 O ATOM 38 CB VAL A 3 6.996 2.600 -9.061 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.368 1.179 -8.643 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.097 3.166 -9.969 1.00 0.00 C ATOM 0 HA VAL A 3 4.912 2.040 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 3 6.903 3.236 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.323 1.192 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.597 0.780 -7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.449 0.549 -9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.044 3.176 -9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.192 2.542 -10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.838 4.182 -10.265 1.00 0.00 H new ATOM 50 N ALA A 4 4.528 4.550 -9.014 1.00 0.00 N ATOM 51 CA ALA A 4 4.005 5.949 -9.095 1.00 0.00 C ATOM 52 C ALA A 4 4.689 6.817 -8.040 1.00 0.00 C ATOM 53 O ALA A 4 4.831 6.440 -6.892 1.00 0.00 O ATOM 54 CB ALA A 4 2.498 5.930 -8.840 1.00 0.00 C ATOM 0 H ALA A 4 4.336 4.076 -8.131 1.00 0.00 H new ATOM 0 HA ALA A 4 4.209 6.361 -10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.107 6.946 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.010 5.310 -9.592 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.302 5.520 -7.849 1.00 0.00 H new ATOM 60 N HIS A 5 5.116 7.980 -8.438 1.00 0.00 N ATOM 61 CA HIS A 5 5.808 8.907 -7.500 1.00 0.00 C ATOM 62 C HIS A 5 4.787 9.682 -6.668 1.00 0.00 C ATOM 63 O HIS A 5 3.705 10.003 -7.121 1.00 0.00 O ATOM 64 CB HIS A 5 6.661 9.893 -8.305 1.00 0.00 C ATOM 65 CG HIS A 5 7.778 9.149 -8.985 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.679 9.781 -9.830 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.147 7.826 -8.966 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.536 8.846 -10.280 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.257 7.638 -9.784 1.00 0.00 N ATOM 0 H HIS A 5 5.014 8.334 -9.389 1.00 0.00 H new ATOM 0 HA HIS A 5 6.441 8.327 -6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.045 10.403 -9.046 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.068 10.660 -7.647 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.651 7.050 -8.402 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.351 9.048 -10.960 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.752 6.765 -9.966 1.00 0.00 H new ATOM 77 N TYR A 6 5.140 9.984 -5.448 1.00 0.00 N ATOM 78 CA TYR A 6 4.215 10.743 -4.557 1.00 0.00 C ATOM 79 C TYR A 6 5.031 11.501 -3.501 1.00 0.00 C ATOM 80 O TYR A 6 5.672 10.914 -2.648 1.00 0.00 O ATOM 81 CB TYR A 6 3.252 9.765 -3.876 1.00 0.00 C ATOM 82 CG TYR A 6 2.037 10.518 -3.388 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.158 11.089 -4.317 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.788 10.648 -2.017 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.030 11.789 -3.873 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.661 11.347 -1.575 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.218 11.919 -2.502 1.00 0.00 C ATOM 88 OH TYR A 6 -1.328 12.611 -2.064 1.00 0.00 O ATOM 0 H TYR A 6 6.035 9.736 -5.027 1.00 0.00 H new ATOM 0 HA TYR A 6 3.641 11.460 -5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.953 8.984 -4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.748 9.271 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.350 10.989 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.466 10.208 -1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.649 12.229 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.468 11.446 -0.517 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.630 12.238 -1.209 1.00 0.00 H new ATOM 98 N ARG A 7 5.003 12.804 -3.567 1.00 0.00 N ATOM 99 CA ARG A 7 5.764 13.648 -2.599 1.00 0.00 C ATOM 100 C ARG A 7 7.185 13.120 -2.445 1.00 0.00 C ATOM 101 O ARG A 7 7.771 13.164 -1.380 1.00 0.00 O ATOM 102 CB ARG A 7 5.051 13.668 -1.243 1.00 0.00 C ATOM 103 CG ARG A 7 3.815 14.568 -1.327 1.00 0.00 C ATOM 104 CD ARG A 7 3.107 14.581 0.028 1.00 0.00 C ATOM 105 NE ARG A 7 1.951 15.528 -0.019 1.00 0.00 N ATOM 106 CZ ARG A 7 0.780 15.127 -0.435 1.00 0.00 C ATOM 107 NH1 ARG A 7 0.598 13.895 -0.817 1.00 0.00 N ATOM 108 NH2 ARG A 7 -0.218 15.969 -0.465 1.00 0.00 N ATOM 0 H ARG A 7 4.475 13.330 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 7 5.812 14.667 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.759 12.657 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.727 14.033 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.106 15.580 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.138 14.205 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.759 13.579 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.804 14.880 0.811 1.00 0.00 H new ATOM 0 HE ARG A 7 2.078 16.496 0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.374 13.234 -0.793 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.321 13.592 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.080 16.934 -0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.135 15.662 -0.789 1.00 0.00 H new ATOM 122 N GLY A 8 7.748 12.635 -3.516 1.00 0.00 N ATOM 123 CA GLY A 8 9.147 12.113 -3.475 1.00 0.00 C ATOM 124 C GLY A 8 9.132 10.625 -3.133 1.00 0.00 C ATOM 125 O GLY A 8 10.079 9.912 -3.387 1.00 0.00 O ATOM 0 H GLY A 8 7.296 12.576 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.632 12.270 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.728 12.661 -2.733 1.00 0.00 H new ATOM 129 N TYR A 9 8.060 10.152 -2.555 1.00 0.00 N ATOM 130 CA TYR A 9 7.979 8.705 -2.184 1.00 0.00 C ATOM 131 C TYR A 9 7.466 7.890 -3.363 1.00 0.00 C ATOM 132 O TYR A 9 6.539 8.272 -4.050 1.00 0.00 O ATOM 133 CB TYR A 9 7.034 8.530 -0.993 1.00 0.00 C ATOM 134 CG TYR A 9 7.646 9.162 0.234 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.450 10.522 0.496 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.411 8.382 1.111 1.00 0.00 C ATOM 137 CE1 TYR A 9 8.020 11.104 1.634 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.979 8.963 2.250 1.00 0.00 C ATOM 139 CZ TYR A 9 8.784 10.325 2.512 1.00 0.00 C ATOM 140 OH TYR A 9 9.343 10.900 3.635 1.00 0.00 O ATOM 0 H TYR A 9 7.235 10.704 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 9 8.975 8.354 -1.914 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.070 8.990 -1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.849 7.471 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.859 11.123 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.562 7.332 0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.871 12.155 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.568 8.362 2.927 1.00 0.00 H new ATOM 0 HH TYR A 9 9.841 10.221 4.137 1.00 0.00 H new ATOM 150 N GLU A 10 8.068 6.758 -3.593 1.00 0.00 N ATOM 151 CA GLU A 10 7.641 5.885 -4.723 1.00 0.00 C ATOM 152 C GLU A 10 6.605 4.888 -4.225 1.00 0.00 C ATOM 153 O GLU A 10 6.614 4.483 -3.080 1.00 0.00 O ATOM 154 CB GLU A 10 8.852 5.125 -5.274 1.00 0.00 C ATOM 155 CG GLU A 10 9.805 6.115 -5.947 1.00 0.00 C ATOM 156 CD GLU A 10 11.034 5.372 -6.476 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.075 4.160 -6.341 1.00 0.00 O ATOM 158 OE2 GLU A 10 11.913 6.029 -7.009 1.00 0.00 O ATOM 0 H GLU A 10 8.846 6.396 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 10 7.210 6.500 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.364 4.600 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.527 4.370 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.296 6.625 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.110 6.882 -5.235 1.00 0.00 H new ATOM 165 N ILE A 11 5.707 4.499 -5.087 1.00 0.00 N ATOM 166 CA ILE A 11 4.639 3.528 -4.697 1.00 0.00 C ATOM 167 C ILE A 11 4.698 2.314 -5.615 1.00 0.00 C ATOM 168 O ILE A 11 4.771 2.429 -6.823 1.00 0.00 O ATOM 169 CB ILE A 11 3.271 4.200 -4.816 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.219 5.397 -3.858 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.187 3.194 -4.425 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.973 6.240 -4.148 1.00 0.00 C ATOM 0 H ILE A 11 5.665 4.814 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 11 4.794 3.208 -3.667 1.00 0.00 H new ATOM 0 HB ILE A 11 3.108 4.539 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.201 5.048 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.116 6.006 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.207 3.665 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.233 2.333 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.348 2.867 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.941 7.089 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.010 6.602 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.081 5.630 -4.010 1.00 0.00 H new ATOM 184 N GLU A 12 4.664 1.148 -5.032 1.00 0.00 N ATOM 185 CA GLU A 12 4.708 -0.121 -5.823 1.00 0.00 C ATOM 186 C GLU A 12 3.437 -0.925 -5.524 1.00 0.00 C ATOM 187 O GLU A 12 3.413 -1.744 -4.623 1.00 0.00 O ATOM 188 CB GLU A 12 5.938 -0.942 -5.422 1.00 0.00 C ATOM 189 CG GLU A 12 6.236 -1.966 -6.523 1.00 0.00 C ATOM 190 CD GLU A 12 7.427 -2.839 -6.127 1.00 0.00 C ATOM 191 OE1 GLU A 12 8.437 -2.286 -5.723 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.311 -4.048 -6.240 1.00 0.00 O ATOM 0 H GLU A 12 4.607 1.016 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 12 4.768 0.108 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.796 -0.287 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.759 -1.450 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.360 -2.591 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.449 -1.451 -7.460 1.00 0.00 H new ATOM 199 N PRO A 13 2.388 -0.686 -6.270 1.00 0.00 N ATOM 200 CA PRO A 13 1.089 -1.399 -6.086 1.00 0.00 C ATOM 201 C PRO A 13 1.234 -2.916 -6.216 1.00 0.00 C ATOM 202 O PRO A 13 2.054 -3.417 -6.960 1.00 0.00 O ATOM 203 CB PRO A 13 0.195 -0.835 -7.207 1.00 0.00 C ATOM 204 CG PRO A 13 0.813 0.477 -7.565 1.00 0.00 C ATOM 205 CD PRO A 13 2.309 0.300 -7.360 1.00 0.00 C ATOM 0 HA PRO A 13 0.679 -1.241 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.167 -1.506 -8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.833 -0.708 -6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.589 0.746 -8.597 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.424 1.277 -6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.799 -0.060 -8.265 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.792 1.239 -7.089 1.00 0.00 H new ATOM 213 N GLY A 14 0.438 -3.638 -5.483 1.00 0.00 N ATOM 214 CA GLY A 14 0.507 -5.122 -5.534 1.00 0.00 C ATOM 215 C GLY A 14 -0.724 -5.722 -4.856 1.00 0.00 C ATOM 216 O GLY A 14 -1.646 -5.026 -4.474 1.00 0.00 O ATOM 0 H GLY A 14 -0.263 -3.261 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.562 -5.457 -6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.413 -5.470 -5.037 1.00 0.00 H new ATOM 220 N HIS A 15 -0.735 -7.018 -4.715 1.00 0.00 N ATOM 221 CA HIS A 15 -1.895 -7.711 -4.076 1.00 0.00 C ATOM 222 C HIS A 15 -1.397 -8.854 -3.190 1.00 0.00 C ATOM 223 O HIS A 15 -0.719 -9.760 -3.635 1.00 0.00 O ATOM 224 CB HIS A 15 -2.799 -8.279 -5.170 1.00 0.00 C ATOM 225 CG HIS A 15 -2.022 -9.270 -5.997 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.140 -8.873 -6.990 1.00 0.00 N ATOM 227 CD2 HIS A 15 -1.977 -10.642 -5.980 1.00 0.00 C ATOM 228 CE1 HIS A 15 -0.606 -9.987 -7.525 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.082 -11.092 -6.946 1.00 0.00 N ATOM 0 H HIS A 15 0.018 -7.636 -5.018 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.449 -7.000 -3.464 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.668 -8.763 -4.724 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.172 -7.474 -5.803 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.549 -11.275 -5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.119 -9.987 -8.325 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.841 -12.059 -7.165 1.00 0.00 H new ATOM 237 N GLN A 16 -1.747 -8.811 -1.935 1.00 0.00 N ATOM 238 CA GLN A 16 -1.323 -9.885 -0.993 1.00 0.00 C ATOM 239 C GLN A 16 -2.306 -9.980 0.173 1.00 0.00 C ATOM 240 O GLN A 16 -2.993 -9.036 0.513 1.00 0.00 O ATOM 241 CB GLN A 16 0.070 -9.583 -0.454 1.00 0.00 C ATOM 242 CG GLN A 16 0.495 -10.706 0.491 1.00 0.00 C ATOM 243 CD GLN A 16 1.961 -10.527 0.870 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.330 -9.540 1.472 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.822 -11.448 0.537 1.00 0.00 N ATOM 0 H GLN A 16 -2.313 -8.072 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.308 -10.834 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.780 -9.494 -1.276 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.071 -8.628 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.126 -10.696 1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.348 -11.674 0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.511 -12.277 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.806 -11.339 0.783 1.00 0.00 H new ATOM 254 N TYR A 17 -2.365 -11.135 0.777 1.00 0.00 N ATOM 255 CA TYR A 17 -3.287 -11.369 1.926 1.00 0.00 C ATOM 256 C TYR A 17 -2.487 -11.529 3.215 1.00 0.00 C ATOM 257 O TYR A 17 -1.395 -12.059 3.226 1.00 0.00 O ATOM 258 CB TYR A 17 -4.090 -12.649 1.663 1.00 0.00 C ATOM 259 CG TYR A 17 -3.176 -13.854 1.723 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.453 -14.246 0.592 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.053 -14.577 2.917 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.608 -15.362 0.651 1.00 0.00 C ATOM 263 CE2 TYR A 17 -2.209 -15.693 2.977 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.486 -16.085 1.845 1.00 0.00 C ATOM 265 OH TYR A 17 -0.654 -17.183 1.903 1.00 0.00 O ATOM 0 H TYR A 17 -1.801 -11.944 0.517 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.960 -10.518 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.885 -12.748 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.569 -12.594 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.546 -13.688 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.609 -14.273 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.051 -15.665 -0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.116 -16.251 3.897 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.684 -17.569 2.803 1.00 0.00 H new ATOM 275 N ARG A 18 -3.041 -11.070 4.299 1.00 0.00 N ATOM 276 CA ARG A 18 -2.348 -11.176 5.621 1.00 0.00 C ATOM 277 C ARG A 18 -2.938 -12.340 6.423 1.00 0.00 C ATOM 278 O ARG A 18 -4.134 -12.552 6.455 1.00 0.00 O ATOM 279 CB ARG A 18 -2.519 -9.862 6.384 1.00 0.00 C ATOM 280 CG ARG A 18 -1.659 -8.780 5.723 1.00 0.00 C ATOM 281 CD ARG A 18 -1.820 -7.464 6.485 1.00 0.00 C ATOM 282 NE ARG A 18 -0.966 -6.413 5.854 1.00 0.00 N ATOM 283 CZ ARG A 18 0.286 -6.275 6.203 1.00 0.00 C ATOM 284 NH1 ARG A 18 0.819 -7.060 7.100 1.00 0.00 N ATOM 285 NH2 ARG A 18 1.011 -5.344 5.644 1.00 0.00 N ATOM 0 H ARG A 18 -3.956 -10.619 4.331 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.286 -11.364 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.567 -9.561 6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.225 -9.991 7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.612 -9.084 5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.957 -8.649 4.683 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.864 -7.152 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.537 -7.599 7.529 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.364 -5.798 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.257 -7.791 7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.797 -6.942 7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.600 -4.731 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.989 -5.230 5.911 1.00 0.00 H new ATOM 299 N ASP A 19 -2.089 -13.100 7.060 1.00 0.00 N ATOM 300 CA ASP A 19 -2.553 -14.274 7.859 1.00 0.00 C ATOM 301 C ASP A 19 -3.330 -13.794 9.092 1.00 0.00 C ATOM 302 O ASP A 19 -4.030 -14.559 9.729 1.00 0.00 O ATOM 303 CB ASP A 19 -1.337 -15.099 8.313 1.00 0.00 C ATOM 304 CG ASP A 19 -0.730 -15.838 7.118 1.00 0.00 C ATOM 305 OD1 ASP A 19 -1.376 -15.889 6.086 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.373 -16.346 7.257 1.00 0.00 O ATOM 0 H ASP A 19 -1.079 -12.956 7.061 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.205 -14.891 7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.591 -14.444 8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.638 -15.814 9.079 1.00 0.00 H new ATOM 311 N ASP A 20 -3.214 -12.539 9.429 1.00 0.00 N ATOM 312 CA ASP A 20 -3.947 -12.002 10.616 1.00 0.00 C ATOM 313 C ASP A 20 -5.452 -12.122 10.379 1.00 0.00 C ATOM 314 O ASP A 20 -6.197 -12.514 11.254 1.00 0.00 O ATOM 315 CB ASP A 20 -3.582 -10.530 10.811 1.00 0.00 C ATOM 316 CG ASP A 20 -2.151 -10.427 11.343 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.588 -11.459 11.668 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.646 -9.320 11.420 1.00 0.00 O ATOM 0 H ASP A 20 -2.641 -11.857 8.932 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.670 -12.570 11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.670 -9.994 9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.276 -10.061 11.509 1.00 0.00 H new ATOM 323 N ILE A 21 -5.894 -11.789 9.195 1.00 0.00 N ATOM 324 CA ILE A 21 -7.351 -11.880 8.860 1.00 0.00 C ATOM 325 C ILE A 21 -7.542 -12.940 7.775 1.00 0.00 C ATOM 326 O ILE A 21 -8.650 -13.297 7.429 1.00 0.00 O ATOM 327 CB ILE A 21 -7.842 -10.515 8.348 1.00 0.00 C ATOM 328 CG1 ILE A 21 -7.036 -10.088 7.108 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.667 -9.467 9.453 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.651 -8.824 6.504 1.00 0.00 C ATOM 0 H ILE A 21 -5.302 -11.453 8.435 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.923 -12.156 9.746 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.894 -10.596 8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.998 -9.903 7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.032 -10.891 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.014 -8.498 9.094 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.249 -9.759 10.327 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.614 -9.397 9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.078 -8.524 5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.682 -9.024 6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.631 -8.022 7.242 1.00 0.00 H new ATOM 342 N ARG A 22 -6.457 -13.436 7.236 1.00 0.00 N ATOM 343 CA ARG A 22 -6.534 -14.470 6.161 1.00 0.00 C ATOM 344 C ARG A 22 -7.395 -13.964 5.008 1.00 0.00 C ATOM 345 O ARG A 22 -8.216 -14.680 4.468 1.00 0.00 O ATOM 346 CB ARG A 22 -7.122 -15.764 6.738 1.00 0.00 C ATOM 347 CG ARG A 22 -6.128 -16.382 7.740 1.00 0.00 C ATOM 348 CD ARG A 22 -5.078 -17.230 6.999 1.00 0.00 C ATOM 349 NE ARG A 22 -5.770 -18.283 6.196 1.00 0.00 N ATOM 350 CZ ARG A 22 -5.112 -18.987 5.310 1.00 0.00 C ATOM 351 NH1 ARG A 22 -3.836 -18.789 5.114 1.00 0.00 N ATOM 352 NH2 ARG A 22 -5.740 -19.895 4.614 1.00 0.00 N ATOM 0 H ARG A 22 -5.510 -13.165 7.499 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.532 -14.672 5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.070 -15.555 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.331 -16.470 5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.634 -15.592 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.664 -17.002 8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.476 -16.596 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.396 -17.691 7.714 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.765 -18.455 6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.341 -18.079 5.654 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.334 -19.344 4.421 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.737 -20.052 4.762 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.234 -20.447 3.922 1.00 0.00 H new ATOM 366 N LYS A 23 -7.198 -12.732 4.618 1.00 0.00 N ATOM 367 CA LYS A 23 -7.993 -12.157 3.487 1.00 0.00 C ATOM 368 C LYS A 23 -7.113 -11.266 2.614 1.00 0.00 C ATOM 369 O LYS A 23 -6.055 -10.819 3.020 1.00 0.00 O ATOM 370 CB LYS A 23 -9.154 -11.336 4.042 1.00 0.00 C ATOM 371 CG LYS A 23 -10.192 -12.282 4.642 1.00 0.00 C ATOM 372 CD LYS A 23 -11.364 -11.474 5.198 1.00 0.00 C ATOM 373 CE LYS A 23 -12.403 -12.429 5.787 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.531 -11.643 6.358 1.00 0.00 N ATOM 0 H LYS A 23 -6.519 -12.095 5.034 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.378 -12.976 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.795 -10.642 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.604 -10.737 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.546 -12.978 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.740 -12.878 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.013 -10.783 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.813 -10.872 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.771 -13.105 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.948 -13.047 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.238 -12.292 6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.173 -11.016 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.971 -11.072 5.608 1.00 0.00 H new ATOM 388 N TYR A 24 -7.557 -11.016 1.412 1.00 0.00 N ATOM 389 CA TYR A 24 -6.779 -10.166 0.468 1.00 0.00 C ATOM 390 C TYR A 24 -7.092 -8.697 0.717 1.00 0.00 C ATOM 391 O TYR A 24 -8.239 -8.278 0.756 1.00 0.00 O ATOM 392 CB TYR A 24 -7.154 -10.526 -0.976 1.00 0.00 C ATOM 393 CG TYR A 24 -6.670 -11.924 -1.289 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.489 -13.030 -1.023 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.400 -12.114 -1.847 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.035 -14.323 -1.313 1.00 0.00 C ATOM 397 CE2 TYR A 24 -4.946 -13.407 -2.135 1.00 0.00 C ATOM 398 CZ TYR A 24 -5.764 -14.511 -1.869 1.00 0.00 C ATOM 399 OH TYR A 24 -5.317 -15.786 -2.152 1.00 0.00 O ATOM 0 H TYR A 24 -8.438 -11.370 1.040 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.715 -10.341 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.234 -10.466 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.708 -9.812 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.470 -12.885 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.770 -11.262 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.666 -15.175 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.965 -13.552 -2.562 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.416 -15.739 -2.534 1.00 0.00 H new ATOM 409 N VAL A 25 -6.062 -7.908 0.879 1.00 0.00 N ATOM 410 CA VAL A 25 -6.249 -6.451 1.127 1.00 0.00 C ATOM 411 C VAL A 25 -5.186 -5.658 0.348 1.00 0.00 C ATOM 412 O VAL A 25 -4.087 -6.131 0.131 1.00 0.00 O ATOM 413 CB VAL A 25 -6.112 -6.157 2.625 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.361 -6.654 3.351 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.878 -6.864 3.192 1.00 0.00 C ATOM 0 H VAL A 25 -5.090 -8.216 0.849 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.243 -6.154 0.793 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.001 -5.082 2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.269 -6.447 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.239 -6.142 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.468 -7.728 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.792 -6.647 4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.977 -7.940 3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.986 -6.509 2.676 1.00 0.00 H new ATOM 425 N PRO A 26 -5.517 -4.456 -0.071 1.00 0.00 N ATOM 426 CA PRO A 26 -4.589 -3.583 -0.838 1.00 0.00 C ATOM 427 C PRO A 26 -3.147 -3.707 -0.360 1.00 0.00 C ATOM 428 O PRO A 26 -2.789 -3.260 0.711 1.00 0.00 O ATOM 429 CB PRO A 26 -5.136 -2.175 -0.580 1.00 0.00 C ATOM 430 CG PRO A 26 -6.609 -2.356 -0.330 1.00 0.00 C ATOM 431 CD PRO A 26 -6.816 -3.803 0.136 1.00 0.00 C ATOM 0 HA PRO A 26 -4.552 -3.848 -1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.646 -1.715 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.960 -1.523 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.960 -1.654 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.180 -2.159 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.115 -3.842 1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.601 -4.295 -0.438 1.00 0.00 H new ATOM 439 N TYR A 27 -2.318 -4.316 -1.160 1.00 0.00 N ATOM 440 CA TYR A 27 -0.886 -4.494 -0.784 1.00 0.00 C ATOM 441 C TYR A 27 -0.018 -3.521 -1.569 1.00 0.00 C ATOM 442 O TYR A 27 0.032 -3.547 -2.784 1.00 0.00 O ATOM 443 CB TYR A 27 -0.463 -5.929 -1.105 1.00 0.00 C ATOM 444 CG TYR A 27 0.915 -6.181 -0.545 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.081 -6.401 0.828 1.00 0.00 C ATOM 446 CD2 TYR A 27 2.028 -6.192 -1.396 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.358 -6.633 1.349 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.305 -6.424 -0.873 1.00 0.00 C ATOM 449 CZ TYR A 27 3.471 -6.645 0.499 1.00 0.00 C ATOM 450 OH TYR A 27 4.731 -6.869 1.015 1.00 0.00 O ATOM 0 H TYR A 27 -2.573 -4.703 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.762 -4.299 0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.176 -6.634 -0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.464 -6.088 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.223 -6.392 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.900 -6.022 -2.455 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.486 -6.803 2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.163 -6.433 -1.529 1.00 0.00 H new ATOM 0 HH TYR A 27 5.380 -6.921 0.283 1.00 0.00 H new ATOM 460 N ALA A 28 0.683 -2.667 -0.875 1.00 0.00 N ATOM 461 CA ALA A 28 1.578 -1.689 -1.565 1.00 0.00 C ATOM 462 C ALA A 28 2.826 -1.456 -0.722 1.00 0.00 C ATOM 463 O ALA A 28 2.795 -1.491 0.493 1.00 0.00 O ATOM 464 CB ALA A 28 0.840 -0.357 -1.776 1.00 0.00 C ATOM 0 H ALA A 28 0.676 -2.602 0.143 1.00 0.00 H new ATOM 0 HA ALA A 28 1.866 -2.093 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.500 0.349 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.046 -0.525 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.542 0.051 -0.810 1.00 0.00 H new ATOM 470 N LEU A 29 3.919 -1.208 -1.382 1.00 0.00 N ATOM 471 CA LEU A 29 5.206 -0.959 -0.670 1.00 0.00 C ATOM 472 C LEU A 29 5.584 0.510 -0.817 1.00 0.00 C ATOM 473 O LEU A 29 5.527 1.079 -1.891 1.00 0.00 O ATOM 474 CB LEU A 29 6.300 -1.822 -1.296 1.00 0.00 C ATOM 475 CG LEU A 29 5.846 -3.285 -1.323 1.00 0.00 C ATOM 476 CD1 LEU A 29 6.927 -4.139 -1.991 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.610 -3.781 0.112 1.00 0.00 C ATOM 0 H LEU A 29 3.979 -1.166 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 29 5.097 -1.208 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.514 -1.478 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.224 -1.727 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 29 4.917 -3.366 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.607 -5.181 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.089 -3.789 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.856 -4.056 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.287 -4.822 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.536 -3.701 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.839 -3.173 0.585 1.00 0.00 H new ATOM 489 N ILE A 30 5.972 1.122 0.266 1.00 0.00 N ATOM 490 CA ILE A 30 6.363 2.562 0.229 1.00 0.00 C ATOM 491 C ILE A 30 7.881 2.666 0.271 1.00 0.00 C ATOM 492 O ILE A 30 8.526 2.170 1.172 1.00 0.00 O ATOM 493 CB ILE A 30 5.770 3.280 1.445 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.261 3.003 1.514 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.013 4.785 1.308 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.594 3.360 0.179 1.00 0.00 C ATOM 0 H ILE A 30 6.036 0.684 1.185 1.00 0.00 H new ATOM 0 HA ILE A 30 5.987 3.023 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 30 6.245 2.917 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.087 1.952 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.814 3.585 2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.593 5.301 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.085 4.977 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.535 5.150 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.525 3.159 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.753 4.417 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.030 2.758 -0.618 1.00 0.00 H new ATOM 508 N ARG A 31 8.453 3.309 -0.715 1.00 0.00 N ATOM 509 CA ARG A 31 9.943 3.461 -0.774 1.00 0.00 C ATOM 510 C ARG A 31 10.315 4.923 -0.962 1.00 0.00 C ATOM 511 O ARG A 31 9.723 5.640 -1.741 1.00 0.00 O ATOM 512 CB ARG A 31 10.491 2.653 -1.949 1.00 0.00 C ATOM 513 CG ARG A 31 10.204 1.156 -1.731 1.00 0.00 C ATOM 514 CD ARG A 31 11.312 0.535 -0.867 1.00 0.00 C ATOM 515 NE ARG A 31 12.597 0.571 -1.627 1.00 0.00 N ATOM 516 CZ ARG A 31 13.718 0.234 -1.048 1.00 0.00 C ATOM 517 NH1 ARG A 31 13.734 -0.147 0.201 1.00 0.00 N ATOM 518 NH2 ARG A 31 14.832 0.282 -1.727 1.00 0.00 N ATOM 0 H ARG A 31 7.949 3.740 -1.490 1.00 0.00 H new ATOM 0 HA ARG A 31 10.371 3.098 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.032 2.989 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.564 2.817 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.237 1.029 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.148 0.643 -2.691 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.412 1.084 0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.056 -0.492 -0.608 1.00 0.00 H new ATOM 0 HE ARG A 31 12.599 0.861 -2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.865 -0.184 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.615 -0.408 0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.822 0.581 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.712 0.020 -1.282 1.00 0.00 H new ATOM 532 N LYS A 32 11.310 5.353 -0.241 1.00 0.00 N ATOM 533 CA LYS A 32 11.774 6.767 -0.333 1.00 0.00 C ATOM 534 C LYS A 32 13.042 6.839 -1.186 1.00 0.00 C ATOM 535 O LYS A 32 13.901 5.980 -1.134 1.00 0.00 O ATOM 536 CB LYS A 32 12.062 7.292 1.073 1.00 0.00 C ATOM 537 CG LYS A 32 12.424 8.773 0.990 1.00 0.00 C ATOM 538 CD LYS A 32 12.651 9.326 2.397 1.00 0.00 C ATOM 539 CE LYS A 32 12.994 10.815 2.310 1.00 0.00 C ATOM 540 NZ LYS A 32 11.846 11.555 1.715 1.00 0.00 N ATOM 0 H LYS A 32 11.831 4.776 0.420 1.00 0.00 H new ATOM 0 HA LYS A 32 11.000 7.378 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.190 7.154 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.880 6.730 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.323 8.905 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.625 9.326 0.496 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.757 9.182 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.460 8.783 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.218 11.206 3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.887 10.958 1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.920 12.564 1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.861 11.445 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.955 11.173 2.091 1.00 0.00 H new ATOM 554 N VAL A 33 13.145 7.867 -1.980 1.00 0.00 N ATOM 555 CA VAL A 33 14.327 8.040 -2.877 1.00 0.00 C ATOM 556 C VAL A 33 15.615 8.142 -2.058 1.00 0.00 C ATOM 557 O VAL A 33 15.704 8.867 -1.088 1.00 0.00 O ATOM 558 CB VAL A 33 14.141 9.323 -3.702 1.00 0.00 C ATOM 559 CG1 VAL A 33 15.397 9.595 -4.532 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.944 9.150 -4.642 1.00 0.00 C ATOM 0 H VAL A 33 12.449 8.609 -2.048 1.00 0.00 H new ATOM 0 HA VAL A 33 14.404 7.175 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 33 13.966 10.161 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.258 10.506 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.253 9.716 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.576 8.757 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.808 10.058 -5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.125 8.309 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.045 8.960 -4.055 1.00 0.00 H new ATOM 643 N THR A 39 14.216 -2.543 5.552 1.00 0.00 N ATOM 644 CA THR A 39 13.061 -3.175 6.246 1.00 0.00 C ATOM 645 C THR A 39 11.762 -2.557 5.737 1.00 0.00 C ATOM 646 O THR A 39 11.183 -1.698 6.374 1.00 0.00 O ATOM 647 CB THR A 39 13.192 -2.956 7.756 1.00 0.00 C ATOM 648 OG1 THR A 39 14.466 -3.419 8.183 1.00 0.00 O ATOM 649 CG2 THR A 39 12.095 -3.735 8.479 1.00 0.00 C ATOM 0 HA THR A 39 13.050 -4.246 6.041 1.00 0.00 H new ATOM 0 HB THR A 39 13.092 -1.895 7.986 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.136 -3.211 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.187 -3.580 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.119 -3.384 8.144 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.195 -4.797 8.256 1.00 0.00 H new ATOM 657 N PRO A 40 11.309 -2.991 4.588 1.00 0.00 N ATOM 658 CA PRO A 40 10.058 -2.465 3.970 1.00 0.00 C ATOM 659 C PRO A 40 8.842 -2.636 4.876 1.00 0.00 C ATOM 660 O PRO A 40 8.723 -3.601 5.604 1.00 0.00 O ATOM 661 CB PRO A 40 9.908 -3.295 2.680 1.00 0.00 C ATOM 662 CG PRO A 40 11.284 -3.800 2.389 1.00 0.00 C ATOM 663 CD PRO A 40 11.935 -4.023 3.748 1.00 0.00 C ATOM 0 HA PRO A 40 10.117 -1.392 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.206 -4.117 2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.528 -2.686 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.248 -4.726 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.849 -3.080 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.741 -5.026 4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.017 -3.904 3.701 1.00 0.00 H new ATOM 671 N ILE A 41 7.943 -1.694 4.822 1.00 0.00 N ATOM 672 CA ILE A 41 6.708 -1.753 5.658 1.00 0.00 C ATOM 673 C ILE A 41 5.492 -1.574 4.736 1.00 0.00 C ATOM 674 O ILE A 41 5.040 -0.470 4.502 1.00 0.00 O ATOM 675 CB ILE A 41 6.746 -0.629 6.710 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.201 -0.409 7.186 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.867 -1.030 7.899 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.930 0.578 6.261 1.00 0.00 C ATOM 0 H ILE A 41 8.012 -0.871 4.224 1.00 0.00 H new ATOM 0 HA ILE A 41 6.642 -2.711 6.174 1.00 0.00 H new ATOM 0 HB ILE A 41 6.373 0.297 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.201 -0.027 8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.732 -1.361 7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.888 -0.240 8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.842 -1.181 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.245 -1.955 8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.952 0.719 6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.947 0.181 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.409 1.535 6.267 1.00 0.00 H new ATOM 690 N PRO A 42 4.976 -2.655 4.208 1.00 0.00 N ATOM 691 CA PRO A 42 3.804 -2.621 3.285 1.00 0.00 C ATOM 692 C PRO A 42 2.611 -1.870 3.870 1.00 0.00 C ATOM 693 O PRO A 42 2.337 -1.932 5.052 1.00 0.00 O ATOM 694 CB PRO A 42 3.461 -4.105 3.076 1.00 0.00 C ATOM 695 CG PRO A 42 4.736 -4.836 3.350 1.00 0.00 C ATOM 696 CD PRO A 42 5.461 -4.027 4.418 1.00 0.00 C ATOM 0 HA PRO A 42 4.038 -2.092 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.668 -4.426 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.109 -4.290 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.538 -5.850 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.340 -4.920 2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.226 -4.386 5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.543 -4.091 4.303 1.00 0.00 H new ATOM 704 N THR A 43 1.908 -1.157 3.033 1.00 0.00 N ATOM 705 CA THR A 43 0.727 -0.375 3.498 1.00 0.00 C ATOM 706 C THR A 43 -0.556 -1.070 3.064 1.00 0.00 C ATOM 707 O THR A 43 -0.693 -1.525 1.939 1.00 0.00 O ATOM 708 CB THR A 43 0.786 1.036 2.902 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.243 1.824 3.475 1.00 0.00 O ATOM 710 CG2 THR A 43 0.607 0.987 1.381 1.00 0.00 C ATOM 0 H THR A 43 2.104 -1.082 2.035 1.00 0.00 H new ATOM 0 HA THR A 43 0.740 -0.308 4.586 1.00 0.00 H new ATOM 0 HB THR A 43 1.760 1.474 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.118 1.869 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.652 1.998 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.401 0.384 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.360 0.543 1.143 1.00 0.00 H new ATOM 718 N THR A 44 -1.492 -1.167 3.971 1.00 0.00 N ATOM 719 CA THR A 44 -2.790 -1.838 3.668 1.00 0.00 C ATOM 720 C THR A 44 -3.929 -1.083 4.332 1.00 0.00 C ATOM 721 O THR A 44 -3.721 -0.227 5.174 1.00 0.00 O ATOM 722 CB THR A 44 -2.754 -3.275 4.182 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.686 -3.280 5.602 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.526 -3.982 3.601 1.00 0.00 C ATOM 0 H THR A 44 -1.411 -0.805 4.921 1.00 0.00 H new ATOM 0 HA THR A 44 -2.949 -1.844 2.590 1.00 0.00 H new ATOM 0 HB THR A 44 -3.659 -3.797 3.872 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.665 -4.205 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.492 -5.010 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.588 -3.983 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.623 -3.458 3.913 1.00 0.00 H new ATOM 732 N TYR A 45 -5.137 -1.400 3.947 1.00 0.00 N ATOM 733 CA TYR A 45 -6.325 -0.719 4.525 1.00 0.00 C ATOM 734 C TYR A 45 -7.324 -1.782 5.020 1.00 0.00 C ATOM 735 O TYR A 45 -7.447 -2.840 4.432 1.00 0.00 O ATOM 736 CB TYR A 45 -6.979 0.160 3.436 1.00 0.00 C ATOM 737 CG TYR A 45 -7.390 1.490 4.031 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.420 2.332 4.589 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.735 1.875 4.037 1.00 0.00 C ATOM 740 CE1 TYR A 45 -6.795 3.558 5.148 1.00 0.00 C ATOM 741 CE2 TYR A 45 -9.111 3.099 4.596 1.00 0.00 C ATOM 742 CZ TYR A 45 -8.141 3.942 5.151 1.00 0.00 C ATOM 743 OH TYR A 45 -8.512 5.151 5.703 1.00 0.00 O ATOM 0 H TYR A 45 -5.350 -2.111 3.248 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.029 -0.090 5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.280 0.319 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.849 -0.347 3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.382 2.034 4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.484 1.225 3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.047 4.208 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.150 3.395 4.600 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.482 5.264 5.622 1.00 0.00 H new ATOM 753 N PRO A 46 -8.043 -1.502 6.085 1.00 0.00 N ATOM 754 CA PRO A 46 -9.042 -2.458 6.638 1.00 0.00 C ATOM 755 C PRO A 46 -9.965 -2.994 5.540 1.00 0.00 C ATOM 756 O PRO A 46 -10.350 -4.148 5.538 1.00 0.00 O ATOM 757 CB PRO A 46 -9.842 -1.610 7.642 1.00 0.00 C ATOM 758 CG PRO A 46 -8.925 -0.500 8.049 1.00 0.00 C ATOM 759 CD PRO A 46 -7.982 -0.257 6.875 1.00 0.00 C ATOM 0 HA PRO A 46 -8.573 -3.332 7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.753 -1.220 7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.145 -2.205 8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.490 0.402 8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.366 -0.769 8.945 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.298 0.603 6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.967 -0.054 7.217 1.00 0.00 H new ATOM 767 N GLU A 47 -10.312 -2.153 4.608 1.00 0.00 N ATOM 768 CA GLU A 47 -11.209 -2.570 3.494 1.00 0.00 C ATOM 769 C GLU A 47 -10.763 -3.913 2.937 1.00 0.00 C ATOM 770 O GLU A 47 -9.602 -4.269 2.977 1.00 0.00 O ATOM 771 CB GLU A 47 -11.162 -1.512 2.387 1.00 0.00 C ATOM 772 CG GLU A 47 -11.889 -0.242 2.847 1.00 0.00 C ATOM 773 CD GLU A 47 -13.385 -0.531 3.003 1.00 0.00 C ATOM 774 OE1 GLU A 47 -13.852 -1.481 2.394 1.00 0.00 O ATOM 775 OE2 GLU A 47 -14.039 0.209 3.717 1.00 0.00 O ATOM 0 H GLU A 47 -10.008 -1.180 4.570 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.228 -2.666 3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.127 -1.279 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.628 -1.900 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.475 0.103 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.737 0.558 2.123 1.00 0.00 H new ATOM 782 N PHE A 48 -11.699 -4.664 2.428 1.00 0.00 N ATOM 783 CA PHE A 48 -11.388 -6.012 1.863 1.00 0.00 C ATOM 784 C PHE A 48 -11.818 -6.078 0.401 1.00 0.00 C ATOM 785 O PHE A 48 -12.866 -5.596 0.019 1.00 0.00 O ATOM 786 CB PHE A 48 -12.136 -7.081 2.672 1.00 0.00 C ATOM 787 CG PHE A 48 -12.141 -8.388 1.914 1.00 0.00 C ATOM 788 CD1 PHE A 48 -10.958 -9.116 1.775 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.328 -8.864 1.343 1.00 0.00 C ATOM 790 CE1 PHE A 48 -10.961 -10.323 1.067 1.00 0.00 C ATOM 791 CE2 PHE A 48 -13.331 -10.070 0.635 1.00 0.00 C ATOM 792 CZ PHE A 48 -12.147 -10.801 0.497 1.00 0.00 C ATOM 0 H PHE A 48 -12.683 -4.399 2.378 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.314 -6.190 1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -11.659 -7.215 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.159 -6.756 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.042 -8.748 2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.242 -8.299 1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.046 -10.887 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -14.247 -10.436 0.195 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.147 -11.733 -0.049 1.00 0.00 H new ATOM 802 N TYR A 49 -11.005 -6.698 -0.409 1.00 0.00 N ATOM 803 CA TYR A 49 -11.337 -6.838 -1.857 1.00 0.00 C ATOM 804 C TYR A 49 -10.901 -8.219 -2.345 1.00 0.00 C ATOM 805 O TYR A 49 -9.727 -8.522 -2.439 1.00 0.00 O ATOM 806 CB TYR A 49 -10.618 -5.755 -2.657 1.00 0.00 C ATOM 807 CG TYR A 49 -11.274 -4.419 -2.388 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.496 -4.109 -2.996 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.662 -3.490 -1.538 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.104 -2.871 -2.756 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.270 -2.254 -1.297 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.491 -1.944 -1.906 1.00 0.00 C ATOM 813 OH TYR A 49 -13.088 -0.724 -1.667 1.00 0.00 O ATOM 0 H TYR A 49 -10.118 -7.117 -0.129 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.412 -6.728 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.565 -5.719 -2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.658 -5.985 -3.722 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.970 -4.825 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.719 -3.728 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.046 -2.632 -3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.797 -1.539 -0.641 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.530 -0.201 -1.054 1.00 0.00 H new ATOM 823 N ASP A 50 -11.854 -9.047 -2.668 1.00 0.00 N ATOM 824 CA ASP A 50 -11.543 -10.413 -3.171 1.00 0.00 C ATOM 825 C ASP A 50 -10.898 -10.298 -4.550 1.00 0.00 C ATOM 826 O ASP A 50 -10.061 -11.095 -4.927 1.00 0.00 O ATOM 827 CB ASP A 50 -12.840 -11.227 -3.282 1.00 0.00 C ATOM 828 CG ASP A 50 -13.879 -10.455 -4.103 1.00 0.00 C ATOM 829 OD1 ASP A 50 -13.743 -9.248 -4.217 1.00 0.00 O ATOM 830 OD2 ASP A 50 -14.794 -11.088 -4.604 1.00 0.00 O ATOM 0 H ASP A 50 -12.849 -8.832 -2.604 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.861 -10.913 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.635 -12.189 -3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.234 -11.436 -2.287 1.00 0.00 H new ATOM 835 N LEU A 51 -11.298 -9.313 -5.305 1.00 0.00 N ATOM 836 CA LEU A 51 -10.738 -9.135 -6.674 1.00 0.00 C ATOM 837 C LEU A 51 -9.344 -8.530 -6.590 1.00 0.00 C ATOM 838 O LEU A 51 -9.083 -7.616 -5.833 1.00 0.00 O ATOM 839 CB LEU A 51 -11.659 -8.215 -7.483 1.00 0.00 C ATOM 840 CG LEU A 51 -13.067 -8.821 -7.543 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.999 -7.875 -8.308 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.020 -10.184 -8.258 1.00 0.00 C ATOM 0 H LEU A 51 -11.993 -8.619 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.671 -10.105 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.697 -7.227 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.265 -8.084 -8.491 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.440 -8.961 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.999 -8.306 -8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.040 -6.913 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.622 -7.733 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.023 -10.609 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.643 -10.050 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.361 -10.859 -7.712 1.00 0.00 H new ATOM 854 N GLU A 52 -8.450 -9.055 -7.373 1.00 0.00 N ATOM 855 CA GLU A 52 -7.049 -8.558 -7.377 1.00 0.00 C ATOM 856 C GLU A 52 -6.995 -7.166 -8.014 1.00 0.00 C ATOM 857 O GLU A 52 -6.232 -6.313 -7.601 1.00 0.00 O ATOM 858 CB GLU A 52 -6.180 -9.522 -8.194 1.00 0.00 C ATOM 859 CG GLU A 52 -4.714 -9.102 -8.073 1.00 0.00 C ATOM 860 CD GLU A 52 -3.824 -10.046 -8.884 1.00 0.00 C ATOM 861 OE1 GLU A 52 -3.742 -9.866 -10.088 1.00 0.00 O ATOM 862 OE2 GLU A 52 -3.230 -10.930 -8.286 1.00 0.00 O ATOM 0 H GLU A 52 -8.633 -9.821 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.680 -8.499 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.310 -10.542 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.489 -9.512 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.591 -8.079 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.410 -9.114 -7.026 1.00 0.00 H new ATOM 869 N ALA A 53 -7.788 -6.941 -9.026 1.00 0.00 N ATOM 870 CA ALA A 53 -7.785 -5.617 -9.718 1.00 0.00 C ATOM 871 C ALA A 53 -8.219 -4.512 -8.753 1.00 0.00 C ATOM 872 O ALA A 53 -7.692 -3.416 -8.772 1.00 0.00 O ATOM 873 CB ALA A 53 -8.765 -5.668 -10.897 1.00 0.00 C ATOM 0 H ALA A 53 -8.444 -7.623 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.777 -5.402 -10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.769 -4.705 -11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.456 -6.447 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.767 -5.888 -10.528 1.00 0.00 H new ATOM 879 N ASP A 54 -9.182 -4.789 -7.920 1.00 0.00 N ATOM 880 CA ASP A 54 -9.676 -3.758 -6.957 1.00 0.00 C ATOM 881 C ASP A 54 -8.559 -3.413 -5.964 1.00 0.00 C ATOM 882 O ASP A 54 -8.386 -2.273 -5.579 1.00 0.00 O ATOM 883 CB ASP A 54 -10.874 -4.339 -6.182 1.00 0.00 C ATOM 884 CG ASP A 54 -12.168 -4.163 -6.986 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.142 -3.458 -7.981 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.166 -4.747 -6.595 1.00 0.00 O ATOM 0 H ASP A 54 -9.654 -5.692 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.976 -2.860 -7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.706 -5.397 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.967 -3.840 -5.217 1.00 0.00 H new ATOM 891 N ALA A 55 -7.812 -4.398 -5.544 1.00 0.00 N ATOM 892 CA ALA A 55 -6.712 -4.151 -4.566 1.00 0.00 C ATOM 893 C ALA A 55 -5.647 -3.254 -5.199 1.00 0.00 C ATOM 894 O ALA A 55 -5.073 -2.400 -4.551 1.00 0.00 O ATOM 895 CB ALA A 55 -6.079 -5.490 -4.177 1.00 0.00 C ATOM 0 H ALA A 55 -7.917 -5.369 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.116 -3.659 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.274 -5.318 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.835 -6.132 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.677 -5.974 -5.067 1.00 0.00 H new ATOM 901 N GLU A 56 -5.376 -3.449 -6.461 1.00 0.00 N ATOM 902 CA GLU A 56 -4.343 -2.620 -7.151 1.00 0.00 C ATOM 903 C GLU A 56 -4.822 -1.168 -7.245 1.00 0.00 C ATOM 904 O GLU A 56 -4.094 -0.243 -6.938 1.00 0.00 O ATOM 905 CB GLU A 56 -4.124 -3.175 -8.565 1.00 0.00 C ATOM 906 CG GLU A 56 -3.527 -4.584 -8.484 1.00 0.00 C ATOM 907 CD GLU A 56 -2.129 -4.520 -7.866 1.00 0.00 C ATOM 908 OE1 GLU A 56 -1.546 -3.448 -7.874 1.00 0.00 O ATOM 909 OE2 GLU A 56 -1.664 -5.545 -7.396 1.00 0.00 O ATOM 0 H GLU A 56 -5.828 -4.150 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.411 -2.654 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.070 -3.202 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.456 -2.519 -9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.171 -5.228 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.475 -5.024 -9.480 1.00 0.00 H new ATOM 916 N ARG A 57 -6.040 -0.970 -7.671 1.00 0.00 N ATOM 917 CA ARG A 57 -6.590 0.417 -7.798 1.00 0.00 C ATOM 918 C ARG A 57 -6.720 1.054 -6.412 1.00 0.00 C ATOM 919 O ARG A 57 -6.376 2.204 -6.206 1.00 0.00 O ATOM 920 CB ARG A 57 -7.974 0.343 -8.451 1.00 0.00 C ATOM 921 CG ARG A 57 -8.525 1.754 -8.668 1.00 0.00 C ATOM 922 CD ARG A 57 -9.904 1.669 -9.325 1.00 0.00 C ATOM 923 NE ARG A 57 -10.435 3.047 -9.558 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.106 3.671 -8.624 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.333 3.104 -7.470 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.554 4.876 -8.853 1.00 0.00 N ATOM 0 H ARG A 57 -6.685 -1.713 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.918 1.021 -8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.908 -0.181 -9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.654 -0.229 -7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.596 2.278 -7.715 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.845 2.328 -9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.835 1.130 -10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.588 1.108 -8.688 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.272 3.506 -10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.986 2.163 -7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.858 3.603 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.380 5.322 -9.753 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.078 5.371 -8.131 1.00 0.00 H new ATOM 940 N VAL A 58 -7.221 0.312 -5.465 1.00 0.00 N ATOM 941 CA VAL A 58 -7.390 0.849 -4.083 1.00 0.00 C ATOM 942 C VAL A 58 -6.016 1.105 -3.461 1.00 0.00 C ATOM 943 O VAL A 58 -5.803 2.092 -2.784 1.00 0.00 O ATOM 944 CB VAL A 58 -8.162 -0.163 -3.230 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.182 0.305 -1.772 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.602 -0.277 -3.748 1.00 0.00 C ATOM 0 H VAL A 58 -7.524 -0.654 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.947 1.785 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.674 -1.136 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.731 -0.416 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.160 0.386 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.669 1.278 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.151 -0.997 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.089 0.696 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.590 -0.611 -4.785 1.00 0.00 H new ATOM 956 N SER A 59 -5.090 0.208 -3.673 1.00 0.00 N ATOM 957 CA SER A 59 -3.724 0.370 -3.090 1.00 0.00 C ATOM 958 C SER A 59 -3.114 1.687 -3.565 1.00 0.00 C ATOM 959 O SER A 59 -2.463 2.387 -2.812 1.00 0.00 O ATOM 960 CB SER A 59 -2.841 -0.795 -3.549 1.00 0.00 C ATOM 961 OG SER A 59 -2.776 -0.813 -4.972 1.00 0.00 O ATOM 0 H SER A 59 -5.222 -0.637 -4.229 1.00 0.00 H new ATOM 0 HA SER A 59 -3.791 0.377 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.840 -0.693 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.245 -1.738 -3.181 1.00 0.00 H new ATOM 0 HG SER A 59 -3.561 -0.357 -5.341 1.00 0.00 H new ATOM 967 N ILE A 60 -3.326 2.031 -4.803 1.00 0.00 N ATOM 968 CA ILE A 60 -2.773 3.311 -5.332 1.00 0.00 C ATOM 969 C ILE A 60 -3.419 4.481 -4.584 1.00 0.00 C ATOM 970 O ILE A 60 -2.759 5.415 -4.169 1.00 0.00 O ATOM 971 CB ILE A 60 -3.101 3.419 -6.828 1.00 0.00 C ATOM 972 CG1 ILE A 60 -2.305 2.365 -7.607 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.734 4.815 -7.337 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.836 2.265 -9.041 1.00 0.00 C ATOM 0 H ILE A 60 -3.860 1.480 -5.475 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.692 3.337 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.168 3.250 -6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.248 2.631 -7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.385 1.397 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.968 4.888 -8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.304 5.564 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.668 4.988 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.266 1.514 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.887 1.978 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.733 3.231 -9.535 1.00 0.00 H new ATOM 986 N ALA A 61 -4.712 4.422 -4.414 1.00 0.00 N ATOM 987 CA ALA A 61 -5.437 5.512 -3.696 1.00 0.00 C ATOM 988 C ALA A 61 -5.072 5.485 -2.211 1.00 0.00 C ATOM 989 O ALA A 61 -4.912 6.511 -1.577 1.00 0.00 O ATOM 990 CB ALA A 61 -6.944 5.299 -3.853 1.00 0.00 C ATOM 0 H ALA A 61 -5.303 3.659 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.153 6.476 -4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.480 6.092 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.206 5.320 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.221 4.334 -3.429 1.00 0.00 H new ATOM 996 N CYS A 62 -4.948 4.312 -1.652 1.00 0.00 N ATOM 997 CA CYS A 62 -4.601 4.192 -0.207 1.00 0.00 C ATOM 998 C CYS A 62 -3.144 4.608 0.009 1.00 0.00 C ATOM 999 O CYS A 62 -2.799 5.214 1.005 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.784 2.736 0.240 1.00 0.00 C ATOM 1001 SG CYS A 62 -4.966 2.683 2.036 1.00 0.00 S ATOM 0 H CYS A 62 -5.073 3.424 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.254 4.841 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.662 2.304 -0.239 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.926 2.138 -0.068 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.202 2.420 2.339 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.290 4.270 -0.918 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.845 4.619 -0.788 1.00 0.00 C ATOM 1009 C ALA A 63 -0.689 6.133 -0.679 1.00 0.00 C ATOM 1010 O ALA A 63 0.024 6.637 0.169 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.094 4.135 -2.030 1.00 0.00 C ATOM 0 H ALA A 63 -2.533 3.762 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.440 4.142 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.962 4.388 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.201 3.054 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.507 4.617 -2.916 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.354 6.860 -1.534 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.259 8.347 -1.497 1.00 0.00 C ATOM 1019 C LYS A 64 -1.834 8.857 -0.176 1.00 0.00 C ATOM 1020 O LYS A 64 -1.286 9.737 0.459 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.066 8.934 -2.660 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.380 8.600 -3.989 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.187 9.198 -5.148 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.462 8.938 -6.473 1.00 0.00 C ATOM 1025 NZ LYS A 64 -1.350 7.469 -6.703 1.00 0.00 N ATOM 0 H LYS A 64 -1.963 6.485 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.216 8.650 -1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.079 8.531 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.152 10.015 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.365 8.997 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.300 7.519 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.183 8.757 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.317 10.270 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.006 9.404 -7.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.470 9.389 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.357 7.177 -6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.932 6.963 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.682 7.241 -7.662 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.944 8.305 0.235 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.582 8.737 1.513 1.00 0.00 C ATOM 1041 C ILE A 65 -2.669 8.380 2.691 1.00 0.00 C ATOM 1042 O ILE A 65 -2.489 9.156 3.611 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.926 8.016 1.684 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.916 8.505 0.619 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.491 8.316 3.076 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -7.153 7.597 0.603 1.00 0.00 C ATOM 0 H ILE A 65 -3.440 7.567 -0.264 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.742 9.815 1.487 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.775 6.942 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.211 9.533 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.440 8.503 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.446 7.805 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.792 7.967 3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.638 9.390 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.853 7.949 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.851 6.575 0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.635 7.621 1.580 1.00 0.00 H new ATOM 1058 N ILE A 66 -2.114 7.199 2.670 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.225 6.753 3.785 1.00 0.00 C ATOM 1060 C ILE A 66 0.022 7.634 3.847 1.00 0.00 C ATOM 1061 O ILE A 66 0.452 8.044 4.907 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.807 5.295 3.537 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -2.030 4.363 3.704 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.301 4.895 4.523 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.230 3.987 5.181 1.00 0.00 C ATOM 0 H ILE A 66 -2.239 6.517 1.922 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.762 6.833 4.730 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.426 5.199 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.925 4.858 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.889 3.460 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.593 3.861 4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.164 5.545 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.067 4.995 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.095 3.331 5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.343 3.472 5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.394 4.891 5.768 1.00 0.00 H new ATOM 1077 N ILE A 67 0.609 7.913 2.717 1.00 0.00 N ATOM 1078 CA ILE A 67 1.835 8.761 2.696 1.00 0.00 C ATOM 1079 C ILE A 67 1.483 10.170 3.172 1.00 0.00 C ATOM 1080 O ILE A 67 2.198 10.773 3.949 1.00 0.00 O ATOM 1081 CB ILE A 67 2.385 8.818 1.266 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.916 7.434 0.875 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.523 9.841 1.191 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.154 7.378 -0.637 1.00 0.00 C ATOM 0 H ILE A 67 0.292 7.589 1.803 1.00 0.00 H new ATOM 0 HA ILE A 67 2.590 8.336 3.357 1.00 0.00 H new ATOM 0 HB ILE A 67 1.590 9.114 0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.845 7.227 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.202 6.664 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.912 9.879 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.147 10.825 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.321 9.548 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.531 6.392 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.216 7.565 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.884 8.137 -0.919 1.00 0.00 H new ATOM 1096 N ASP A 68 0.384 10.696 2.704 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.032 12.066 3.118 1.00 0.00 C ATOM 1098 C ASP A 68 -0.378 12.065 4.609 1.00 0.00 C ATOM 1099 O ASP A 68 -0.008 12.959 5.345 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.266 12.484 2.314 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.539 13.969 2.540 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.667 14.636 3.074 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.614 14.419 2.177 1.00 0.00 O ATOM 0 H ASP A 68 -0.247 10.233 2.049 1.00 0.00 H new ATOM 0 HA ASP A 68 0.783 12.766 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.106 12.290 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.130 11.893 2.619 1.00 0.00 H new ATOM 1108 N SER A 69 -1.093 11.064 5.048 1.00 0.00 N ATOM 1109 CA SER A 69 -1.482 10.978 6.488 1.00 0.00 C ATOM 1110 C SER A 69 -0.238 10.721 7.336 1.00 0.00 C ATOM 1111 O SER A 69 -0.104 11.220 8.438 1.00 0.00 O ATOM 1112 CB SER A 69 -2.469 9.822 6.676 1.00 0.00 C ATOM 1113 OG SER A 69 -1.859 8.609 6.251 1.00 0.00 O ATOM 0 H SER A 69 -1.427 10.295 4.467 1.00 0.00 H new ATOM 0 HA SER A 69 -1.947 11.914 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.764 9.747 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.377 10.007 6.102 1.00 0.00 H new ATOM 0 HG SER A 69 -2.470 7.860 6.416 1.00 0.00 H new ATOM 1119 N HIS A 70 0.672 9.938 6.824 1.00 0.00 N ATOM 1120 CA HIS A 70 1.921 9.624 7.574 1.00 0.00 C ATOM 1121 C HIS A 70 2.704 10.910 7.835 1.00 0.00 C ATOM 1122 O HIS A 70 3.189 11.147 8.925 1.00 0.00 O ATOM 1123 CB HIS A 70 2.780 8.672 6.737 1.00 0.00 C ATOM 1124 CG HIS A 70 4.043 8.353 7.483 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.071 7.466 8.545 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.330 8.809 7.340 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.338 7.417 8.999 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.146 8.216 8.298 1.00 0.00 N ATOM 0 H HIS A 70 0.602 9.497 5.907 1.00 0.00 H new ATOM 0 HA HIS A 70 1.666 9.158 8.526 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.228 7.756 6.527 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.018 9.129 5.776 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.659 9.520 6.597 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.661 6.806 9.829 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.146 8.361 8.435 1.00 0.00 H new ATOM 1136 N LEU A 71 2.832 11.736 6.835 1.00 0.00 N ATOM 1137 CA LEU A 71 3.585 13.016 6.996 1.00 0.00 C ATOM 1138 C LEU A 71 2.861 13.915 7.995 1.00 0.00 C ATOM 1139 O LEU A 71 3.468 14.535 8.847 1.00 0.00 O ATOM 1140 CB LEU A 71 3.654 13.725 5.638 1.00 0.00 C ATOM 1141 CG LEU A 71 4.555 12.931 4.680 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.374 13.457 3.251 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.031 13.078 5.095 1.00 0.00 C ATOM 0 H LEU A 71 2.445 11.580 5.904 1.00 0.00 H new ATOM 0 HA LEU A 71 4.590 12.807 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.654 13.820 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.043 14.735 5.764 1.00 0.00 H new ATOM 0 HG LEU A 71 4.275 11.878 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.014 12.893 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.333 13.341 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.647 14.512 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.660 12.511 4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.315 14.130 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.164 12.697 6.108 1.00 0.00 H new ATOM 1155 N ASP A 72 1.563 13.984 7.888 1.00 0.00 N ATOM 1156 CA ASP A 72 0.766 14.834 8.817 1.00 0.00 C ATOM 1157 C ASP A 72 0.674 14.136 10.171 1.00 0.00 C ATOM 1158 O ASP A 72 0.363 14.743 11.178 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.640 15.017 8.242 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.577 15.907 6.998 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.443 16.546 6.802 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.552 15.936 6.265 1.00 0.00 O ATOM 0 H ASP A 72 1.015 13.482 7.189 1.00 0.00 H new ATOM 0 HA ASP A 72 1.242 15.807 8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.068 14.048 7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.293 15.466 8.990 1.00 0.00 H new ATOM 1237 N GLY A 77 5.031 4.060 10.829 1.00 0.00 N ATOM 1238 CA GLY A 77 4.845 3.060 9.741 1.00 0.00 C ATOM 1239 C GLY A 77 6.017 3.146 8.765 1.00 0.00 C ATOM 1240 O GLY A 77 6.477 2.149 8.248 1.00 0.00 O ATOM 0 HA2 GLY A 77 4.781 2.057 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.907 3.246 9.217 1.00 0.00 H new ATOM 1244 N LEU A 78 6.491 4.339 8.503 1.00 0.00 N ATOM 1245 CA LEU A 78 7.632 4.521 7.548 1.00 0.00 C ATOM 1246 C LEU A 78 8.858 5.043 8.304 1.00 0.00 C ATOM 1247 O LEU A 78 9.721 5.684 7.738 1.00 0.00 O ATOM 1248 CB LEU A 78 7.225 5.517 6.455 1.00 0.00 C ATOM 1249 CG LEU A 78 5.898 5.074 5.819 1.00 0.00 C ATOM 1250 CD1 LEU A 78 5.492 6.077 4.733 1.00 0.00 C ATOM 1251 CD2 LEU A 78 6.061 3.678 5.194 1.00 0.00 C ATOM 0 H LEU A 78 6.134 5.203 8.912 1.00 0.00 H new ATOM 0 HA LEU A 78 7.881 3.565 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.120 6.515 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.003 5.574 5.694 1.00 0.00 H new ATOM 0 HG LEU A 78 5.126 5.036 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.551 5.763 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.370 7.065 5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.266 6.117 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.118 3.368 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.835 3.711 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.346 2.964 5.967 1.00 0.00 H new ATOM 1263 N ALA A 79 8.944 4.763 9.578 1.00 0.00 N ATOM 1264 CA ALA A 79 10.116 5.227 10.385 1.00 0.00 C ATOM 1265 C ALA A 79 11.384 4.516 9.898 1.00 0.00 C ATOM 1266 O ALA A 79 12.463 5.075 9.900 1.00 0.00 O ATOM 1267 CB ALA A 79 9.883 4.894 11.867 1.00 0.00 C ATOM 0 H ALA A 79 8.249 4.229 10.099 1.00 0.00 H new ATOM 0 HA ALA A 79 10.233 6.304 10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.737 5.232 12.454 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.981 5.397 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.766 3.817 11.984 1.00 0.00 H new ATOM 1273 N ASP A 80 11.253 3.280 9.499 1.00 0.00 N ATOM 1274 CA ASP A 80 12.434 2.505 9.020 1.00 0.00 C ATOM 1275 C ASP A 80 13.015 3.172 7.774 1.00 0.00 C ATOM 1276 O ASP A 80 14.217 3.266 7.606 1.00 0.00 O ATOM 1277 CB ASP A 80 11.992 1.082 8.662 1.00 0.00 C ATOM 1278 CG ASP A 80 11.688 0.295 9.940 1.00 0.00 C ATOM 1279 OD1 ASP A 80 12.081 0.752 11.000 1.00 0.00 O ATOM 1280 OD2 ASP A 80 11.073 -0.754 9.833 1.00 0.00 O ATOM 0 H ASP A 80 10.370 2.769 9.484 1.00 0.00 H new ATOM 0 HA ASP A 80 13.189 2.475 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.108 1.116 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.775 0.581 8.093 1.00 0.00 H new ATOM 1285 N LEU A 81 12.163 3.629 6.900 1.00 0.00 N ATOM 1286 CA LEU A 81 12.635 4.288 5.648 1.00 0.00 C ATOM 1287 C LEU A 81 12.913 5.765 5.936 1.00 0.00 C ATOM 1288 O LEU A 81 13.353 6.506 5.079 1.00 0.00 O ATOM 1289 CB LEU A 81 11.546 4.173 4.574 1.00 0.00 C ATOM 1290 CG LEU A 81 11.054 2.724 4.488 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.970 2.615 3.412 1.00 0.00 C ATOM 1292 CD2 LEU A 81 12.223 1.799 4.127 1.00 0.00 C ATOM 0 H LEU A 81 11.149 3.574 7.000 1.00 0.00 H new ATOM 0 HA LEU A 81 13.546 3.805 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.714 4.836 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.939 4.491 3.609 1.00 0.00 H new ATOM 0 HG LEU A 81 10.643 2.427 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.620 1.584 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.135 3.267 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.382 2.916 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.868 0.770 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.638 2.096 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.995 1.872 4.893 1.00 0.00 H new ATOM 1304 N GLY A 82 12.656 6.193 7.141 1.00 0.00 N ATOM 1305 CA GLY A 82 12.899 7.621 7.507 1.00 0.00 C ATOM 1306 C GLY A 82 12.400 7.870 8.934 1.00 0.00 C ATOM 1307 O GLY A 82 11.329 8.438 9.075 1.00 0.00 O ATOM 1308 OXT GLY A 82 13.096 7.486 9.860 1.00 0.00 O ATOM 0 H GLY A 82 12.286 5.613 7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.962 7.851 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.383 8.280 6.809 1.00 0.00 H new