USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.548 K(o=1.8,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -173:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -1.37 K(o=-1.2,f=-1.8!) USER MOD Set 2.2: A 6 SER OG : rot -150:sc= 0.156 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -26:sc= 0.0515 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 168:sc= -2.46! USER MOD Single : A 46 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-7.2!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 54 TYR OH : rot 15:sc= 1.24 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.947 USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.17) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.801) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= 1 (180deg=0.794) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.177 F(o=-0.83,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 8.408 10.939 -4.334 1.00 0.00 N ATOM 36 CA LYS A 4 7.271 11.601 -3.763 1.00 0.00 C ATOM 37 C LYS A 4 7.671 12.502 -2.612 1.00 0.00 C ATOM 38 O LYS A 4 8.827 12.488 -2.179 1.00 0.00 O ATOM 39 CB LYS A 4 6.247 10.579 -3.241 1.00 0.00 C ATOM 40 CG LYS A 4 6.771 9.218 -2.671 1.00 0.00 C ATOM 41 CD LYS A 4 7.994 9.235 -1.743 1.00 0.00 C ATOM 42 CE LYS A 4 7.789 9.959 -0.443 1.00 0.00 C ATOM 43 NZ LYS A 4 8.987 9.857 0.423 1.00 0.00 N ATOM 0 HA LYS A 4 6.828 12.203 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.665 11.064 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.559 10.354 -4.056 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.950 8.747 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.006 8.573 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.284 8.206 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.828 9.697 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.567 11.008 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.926 9.542 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.816 10.366 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.183 8.856 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.804 10.277 -0.064 1.00 0.00 H new ATOM 57 N HIS A 5 6.709 13.260 -2.110 1.00 0.00 N ATOM 58 CA HIS A 5 6.895 14.034 -0.889 1.00 0.00 C ATOM 59 C HIS A 5 6.178 13.316 0.275 1.00 0.00 C ATOM 60 O HIS A 5 6.547 13.470 1.437 1.00 0.00 O ATOM 61 CB HIS A 5 6.372 15.497 -1.047 1.00 0.00 C ATOM 62 CG HIS A 5 4.882 15.624 -1.246 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.260 15.487 -2.456 1.00 0.00 N ATOM 64 CD2 HIS A 5 3.894 15.830 -0.340 1.00 0.00 C ATOM 65 CE1 HIS A 5 2.947 15.591 -2.264 1.00 0.00 C ATOM 66 NE2 HIS A 5 2.667 15.807 -0.989 1.00 0.00 N ATOM 0 H HIS A 5 5.785 13.357 -2.531 1.00 0.00 H new ATOM 0 HA HIS A 5 7.962 14.102 -0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.655 16.065 -0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.877 15.958 -1.896 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.039 15.987 0.719 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.207 15.510 -3.046 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.745 15.930 -0.571 1.00 0.00 H new ATOM 74 N SER A 6 5.161 12.511 -0.065 1.00 0.00 N ATOM 75 CA SER A 6 4.377 11.764 0.909 1.00 0.00 C ATOM 76 C SER A 6 3.585 10.699 0.157 1.00 0.00 C ATOM 77 O SER A 6 3.758 10.547 -1.063 1.00 0.00 O ATOM 78 CB SER A 6 3.387 12.706 1.606 1.00 0.00 C ATOM 79 OG SER A 6 2.388 13.155 0.700 1.00 0.00 O ATOM 0 H SER A 6 4.864 12.364 -1.030 1.00 0.00 H new ATOM 0 HA SER A 6 5.035 11.314 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.918 12.191 2.444 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.922 13.562 2.017 1.00 0.00 H new ATOM 0 HG SER A 6 2.084 14.048 0.965 1.00 0.00 H new ATOM 85 N ILE A 7 2.700 10.004 0.858 1.00 0.00 N ATOM 86 CA ILE A 7 1.806 9.032 0.247 1.00 0.00 C ATOM 87 C ILE A 7 0.746 9.766 -0.592 1.00 0.00 C ATOM 88 O ILE A 7 0.186 9.217 -1.529 1.00 0.00 O ATOM 89 CB ILE A 7 1.100 8.142 1.324 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.289 7.025 0.650 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.206 8.986 2.245 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.401 6.094 1.612 1.00 0.00 C ATOM 0 H ILE A 7 2.582 10.099 1.867 1.00 0.00 H new ATOM 0 HA ILE A 7 2.402 8.379 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 7 1.872 7.684 1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.460 7.477 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.954 6.443 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.270 8.339 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.813 9.733 2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.560 9.485 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.950 5.336 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.342 5.610 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.094 6.661 2.233 1.00 0.00 H new ATOM 104 N SER A 8 0.546 11.043 -0.286 1.00 0.00 N ATOM 105 CA SER A 8 -0.441 11.851 -0.950 1.00 0.00 C ATOM 106 C SER A 8 0.070 12.234 -2.343 1.00 0.00 C ATOM 107 O SER A 8 -0.664 12.769 -3.163 1.00 0.00 O ATOM 108 CB SER A 8 -0.770 13.092 -0.085 1.00 0.00 C ATOM 109 OG SER A 8 -1.862 13.849 -0.592 1.00 0.00 O ATOM 0 H SER A 8 1.072 11.538 0.434 1.00 0.00 H new ATOM 0 HA SER A 8 -1.367 11.290 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.999 12.770 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.111 13.731 -0.026 1.00 0.00 H new ATOM 0 HG SER A 8 -1.937 13.708 -1.559 1.00 0.00 H new ATOM 115 N ASP A 9 1.344 11.956 -2.603 1.00 0.00 N ATOM 116 CA ASP A 9 1.895 12.169 -3.942 1.00 0.00 C ATOM 117 C ASP A 9 1.626 10.940 -4.829 1.00 0.00 C ATOM 118 O ASP A 9 1.825 10.964 -6.037 1.00 0.00 O ATOM 119 CB ASP A 9 3.390 12.466 -3.880 1.00 0.00 C ATOM 120 CG ASP A 9 3.981 12.832 -5.229 1.00 0.00 C ATOM 121 OD1 ASP A 9 3.914 14.020 -5.619 1.00 0.00 O ATOM 122 OD2 ASP A 9 4.555 11.953 -5.907 1.00 0.00 O ATOM 0 H ASP A 9 2.006 11.589 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 9 1.399 13.035 -4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.563 13.284 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.912 11.594 -3.486 1.00 0.00 H new ATOM 127 N TYR A 10 1.177 9.873 -4.224 1.00 0.00 N ATOM 128 CA TYR A 10 0.813 8.672 -4.953 1.00 0.00 C ATOM 129 C TYR A 10 -0.660 8.703 -5.261 1.00 0.00 C ATOM 130 O TYR A 10 -1.446 9.047 -4.401 1.00 0.00 O ATOM 131 CB TYR A 10 1.071 7.409 -4.114 1.00 0.00 C ATOM 132 CG TYR A 10 2.475 6.852 -4.120 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.470 7.325 -3.270 1.00 0.00 C ATOM 134 CD2 TYR A 10 2.790 5.795 -4.963 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.721 6.755 -3.278 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.044 5.235 -4.971 1.00 0.00 C ATOM 137 CZ TYR A 10 5.003 5.720 -4.124 1.00 0.00 C ATOM 138 OH TYR A 10 6.263 5.162 -4.121 1.00 0.00 O ATOM 0 H TYR A 10 1.051 9.805 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 10 1.416 8.643 -5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.799 7.628 -3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.396 6.628 -4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.258 8.145 -2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.033 5.405 -5.627 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.485 7.127 -2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.271 4.418 -5.640 1.00 0.00 H new ATOM 0 HH TYR A 10 6.301 4.436 -4.779 1.00 0.00 H new ATOM 148 N THR A 11 -1.038 8.413 -6.480 1.00 0.00 N ATOM 149 CA THR A 11 -2.444 8.197 -6.780 1.00 0.00 C ATOM 150 C THR A 11 -2.813 6.794 -6.304 1.00 0.00 C ATOM 151 O THR A 11 -1.927 6.034 -5.876 1.00 0.00 O ATOM 152 CB THR A 11 -2.733 8.284 -8.298 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.780 7.503 -9.012 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.712 9.706 -8.807 1.00 0.00 C ATOM 0 H THR A 11 -0.407 8.320 -7.276 1.00 0.00 H new ATOM 0 HA THR A 11 -3.027 8.970 -6.279 1.00 0.00 H new ATOM 0 HB THR A 11 -3.738 7.895 -8.463 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.966 7.558 -9.973 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.920 9.713 -9.877 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.471 10.290 -8.286 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.730 10.143 -8.626 1.00 0.00 H new ATOM 162 N GLU A 12 -4.080 6.429 -6.399 1.00 0.00 N ATOM 163 CA GLU A 12 -4.496 5.083 -6.056 1.00 0.00 C ATOM 164 C GLU A 12 -3.824 4.114 -7.026 1.00 0.00 C ATOM 165 O GLU A 12 -3.382 3.048 -6.647 1.00 0.00 O ATOM 166 CB GLU A 12 -6.024 4.953 -6.136 1.00 0.00 C ATOM 167 CG GLU A 12 -6.556 3.558 -5.839 1.00 0.00 C ATOM 168 CD GLU A 12 -8.044 3.460 -6.012 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.518 3.394 -7.151 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.778 3.475 -5.010 1.00 0.00 O ATOM 0 H GLU A 12 -4.833 7.043 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.199 4.852 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.473 5.656 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.349 5.247 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.069 2.839 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.294 3.283 -4.818 1.00 0.00 H new ATOM 177 N ALA A 13 -3.688 4.556 -8.258 1.00 0.00 N ATOM 178 CA ALA A 13 -3.074 3.756 -9.311 1.00 0.00 C ATOM 179 C ALA A 13 -1.572 3.562 -9.082 1.00 0.00 C ATOM 180 O ALA A 13 -1.073 2.453 -9.188 1.00 0.00 O ATOM 181 CB ALA A 13 -3.334 4.355 -10.671 1.00 0.00 C ATOM 0 H ALA A 13 -3.998 5.478 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.540 2.771 -9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.864 3.737 -11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.408 4.400 -10.850 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.917 5.361 -10.711 1.00 0.00 H new ATOM 187 N GLU A 14 -0.867 4.636 -8.751 1.00 0.00 N ATOM 188 CA GLU A 14 0.577 4.549 -8.457 1.00 0.00 C ATOM 189 C GLU A 14 0.801 3.751 -7.189 1.00 0.00 C ATOM 190 O GLU A 14 1.818 3.081 -7.027 1.00 0.00 O ATOM 191 CB GLU A 14 1.187 5.944 -8.321 1.00 0.00 C ATOM 192 CG GLU A 14 1.137 6.771 -9.595 1.00 0.00 C ATOM 193 CD GLU A 14 1.427 8.226 -9.341 1.00 0.00 C ATOM 194 OE1 GLU A 14 0.594 8.884 -8.696 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.464 8.750 -9.819 1.00 0.00 O ATOM 0 H GLU A 14 -1.258 5.575 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 14 1.069 4.041 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.663 6.482 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.226 5.845 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.860 6.378 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.152 6.673 -10.051 1.00 0.00 H new ATOM 202 N PHE A 15 -0.154 3.811 -6.297 1.00 0.00 N ATOM 203 CA PHE A 15 -0.064 3.061 -5.086 1.00 0.00 C ATOM 204 C PHE A 15 -0.389 1.616 -5.372 1.00 0.00 C ATOM 205 O PHE A 15 0.130 0.744 -4.750 1.00 0.00 O ATOM 206 CB PHE A 15 -0.940 3.640 -4.004 1.00 0.00 C ATOM 207 CG PHE A 15 -0.465 3.276 -2.645 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.601 3.958 -2.086 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.065 2.275 -1.923 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.054 3.644 -0.837 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.615 1.959 -0.670 1.00 0.00 C ATOM 212 CZ PHE A 15 0.442 2.642 -0.128 1.00 0.00 C ATOM 0 H PHE A 15 -1.000 4.373 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 15 0.956 3.118 -4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.964 4.725 -4.100 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.962 3.285 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.081 4.748 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.898 1.733 -2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.888 4.181 -0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.093 1.171 -0.108 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.795 2.390 0.861 1.00 0.00 H new ATOM 222 N LEU A 16 -1.261 1.377 -6.316 1.00 0.00 N ATOM 223 CA LEU A 16 -1.539 0.023 -6.780 1.00 0.00 C ATOM 224 C LEU A 16 -0.293 -0.609 -7.257 1.00 0.00 C ATOM 225 O LEU A 16 -0.055 -1.787 -7.030 1.00 0.00 O ATOM 226 CB LEU A 16 -2.540 0.026 -7.905 1.00 0.00 C ATOM 227 CG LEU A 16 -3.763 -0.739 -7.614 1.00 0.00 C ATOM 228 CD1 LEU A 16 -4.807 0.138 -6.997 1.00 0.00 C ATOM 229 CD2 LEU A 16 -4.301 -1.424 -8.792 1.00 0.00 C ATOM 0 H LEU A 16 -1.800 2.102 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.952 -0.538 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.813 1.056 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.070 -0.385 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.480 -1.512 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.701 -0.450 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.426 0.557 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.055 0.947 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.202 -1.971 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.544 -0.690 -9.560 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.558 -2.121 -9.178 1.00 0.00 H new ATOM 241 N GLU A 17 0.511 0.171 -7.878 1.00 0.00 N ATOM 242 CA GLU A 17 1.751 -0.305 -8.369 1.00 0.00 C ATOM 243 C GLU A 17 2.669 -0.750 -7.203 1.00 0.00 C ATOM 244 O GLU A 17 3.460 -1.672 -7.369 1.00 0.00 O ATOM 245 CB GLU A 17 2.441 0.724 -9.248 1.00 0.00 C ATOM 246 CG GLU A 17 1.610 1.223 -10.424 1.00 0.00 C ATOM 247 CD GLU A 17 1.236 0.140 -11.407 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.103 -0.265 -12.208 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.059 -0.294 -11.432 1.00 0.00 O ATOM 0 H GLU A 17 0.329 1.158 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 17 1.546 -1.175 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.721 1.578 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.365 0.292 -9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.699 1.686 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.167 2.000 -10.948 1.00 0.00 H new ATOM 256 N PHE A 18 2.502 -0.118 -6.009 1.00 0.00 N ATOM 257 CA PHE A 18 3.282 -0.475 -4.790 1.00 0.00 C ATOM 258 C PHE A 18 3.150 -1.953 -4.530 1.00 0.00 C ATOM 259 O PHE A 18 4.126 -2.690 -4.504 1.00 0.00 O ATOM 260 CB PHE A 18 2.819 0.366 -3.489 1.00 0.00 C ATOM 261 CG PHE A 18 2.084 -0.392 -2.300 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.703 -0.612 -2.302 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.788 -0.857 -1.199 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.068 -1.269 -1.249 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.151 -1.510 -0.153 1.00 0.00 C ATOM 266 CZ PHE A 18 0.797 -1.714 -0.181 1.00 0.00 C ATOM 0 H PHE A 18 1.835 0.640 -5.865 1.00 0.00 H new ATOM 0 HA PHE A 18 4.325 -0.218 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.706 0.845 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.157 1.162 -3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.115 -0.265 -3.139 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.857 -0.707 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.000 -1.427 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.728 -1.860 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.308 -2.224 0.636 1.00 0.00 H new ATOM 276 N VAL A 19 1.934 -2.375 -4.439 1.00 0.00 N ATOM 277 CA VAL A 19 1.616 -3.716 -4.063 1.00 0.00 C ATOM 278 C VAL A 19 1.918 -4.706 -5.178 1.00 0.00 C ATOM 279 O VAL A 19 2.357 -5.830 -4.922 1.00 0.00 O ATOM 280 CB VAL A 19 0.159 -3.813 -3.559 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.829 -3.451 -4.615 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.134 -5.143 -2.909 1.00 0.00 C ATOM 0 H VAL A 19 1.119 -1.791 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 19 2.264 -3.995 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 19 0.047 -3.065 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.839 -3.534 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.652 -2.426 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.719 -4.127 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.170 -5.162 -2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.028 -5.944 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.529 -5.285 -2.055 1.00 0.00 H new ATOM 292 N LYS A 20 1.718 -4.271 -6.407 1.00 0.00 N ATOM 293 CA LYS A 20 2.022 -5.092 -7.555 1.00 0.00 C ATOM 294 C LYS A 20 3.519 -5.382 -7.589 1.00 0.00 C ATOM 295 O LYS A 20 3.941 -6.515 -7.836 1.00 0.00 O ATOM 296 CB LYS A 20 1.615 -4.393 -8.826 1.00 0.00 C ATOM 297 CG LYS A 20 0.138 -4.123 -8.915 1.00 0.00 C ATOM 298 CD LYS A 20 -0.164 -3.359 -10.151 1.00 0.00 C ATOM 299 CE LYS A 20 -1.589 -2.937 -10.257 1.00 0.00 C ATOM 300 NZ LYS A 20 -1.817 -2.216 -11.518 1.00 0.00 N ATOM 0 H LYS A 20 1.345 -3.349 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 20 1.467 -6.027 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.154 -3.449 -8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.917 -5.001 -9.679 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.413 -5.064 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.191 -3.561 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.472 -2.474 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.091 -3.970 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.238 -3.811 -10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.850 -2.298 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.734 -1.727 -11.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.059 -1.519 -11.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.820 -2.892 -12.309 1.00 0.00 H new ATOM 314 N LYS A 21 4.316 -4.351 -7.307 1.00 0.00 N ATOM 315 CA LYS A 21 5.763 -4.484 -7.226 1.00 0.00 C ATOM 316 C LYS A 21 6.147 -5.393 -6.090 1.00 0.00 C ATOM 317 O LYS A 21 7.015 -6.200 -6.242 1.00 0.00 O ATOM 318 CB LYS A 21 6.453 -3.131 -7.046 1.00 0.00 C ATOM 319 CG LYS A 21 6.410 -2.220 -8.260 1.00 0.00 C ATOM 320 CD LYS A 21 6.951 -0.829 -7.934 1.00 0.00 C ATOM 321 CE LYS A 21 8.408 -0.847 -7.463 1.00 0.00 C ATOM 322 NZ LYS A 21 9.353 -1.352 -8.489 1.00 0.00 N ATOM 0 H LYS A 21 3.975 -3.406 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 21 6.096 -4.914 -8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.990 -2.613 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.495 -3.305 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.996 -2.660 -9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.384 -2.138 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.869 -0.197 -8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.331 -0.376 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.701 0.163 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.486 -1.468 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.320 -1.338 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.097 -2.326 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.306 -0.746 -9.333 1.00 0.00 H new ATOM 336 N ILE A 22 5.469 -5.273 -4.967 1.00 0.00 N ATOM 337 CA ILE A 22 5.769 -6.116 -3.815 1.00 0.00 C ATOM 338 C ILE A 22 5.443 -7.585 -4.113 1.00 0.00 C ATOM 339 O ILE A 22 6.176 -8.491 -3.715 1.00 0.00 O ATOM 340 CB ILE A 22 5.038 -5.642 -2.540 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.431 -4.200 -2.240 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.395 -6.537 -1.358 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.756 -3.608 -1.042 1.00 0.00 C ATOM 0 H ILE A 22 4.711 -4.606 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 22 6.839 -6.029 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 22 3.962 -5.700 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.510 -4.154 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.202 -3.586 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.872 -6.189 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.099 -7.563 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.470 -6.499 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.095 -2.581 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.676 -3.617 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.005 -4.194 -0.157 1.00 0.00 H new ATOM 355 N CYS A 23 4.383 -7.807 -4.860 1.00 0.00 N ATOM 356 CA CYS A 23 3.976 -9.147 -5.255 1.00 0.00 C ATOM 357 C CYS A 23 5.100 -9.837 -6.067 1.00 0.00 C ATOM 358 O CYS A 23 5.325 -11.037 -5.943 1.00 0.00 O ATOM 359 CB CYS A 23 2.672 -9.077 -6.058 1.00 0.00 C ATOM 360 SG CYS A 23 1.981 -10.674 -6.522 1.00 0.00 S ATOM 0 H CYS A 23 3.776 -7.067 -5.213 1.00 0.00 H new ATOM 0 HA CYS A 23 3.798 -9.746 -4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.931 -8.533 -5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.851 -8.498 -6.964 1.00 0.00 H new ATOM 0 HG CYS A 23 0.882 -10.493 -7.193 1.00 0.00 H new ATOM 366 N ARG A 24 5.824 -9.051 -6.851 1.00 0.00 N ATOM 367 CA ARG A 24 6.937 -9.564 -7.646 1.00 0.00 C ATOM 368 C ARG A 24 8.285 -9.294 -6.969 1.00 0.00 C ATOM 369 O ARG A 24 9.343 -9.612 -7.514 1.00 0.00 O ATOM 370 CB ARG A 24 6.941 -8.945 -9.033 1.00 0.00 C ATOM 371 CG ARG A 24 7.004 -7.455 -9.013 1.00 0.00 C ATOM 372 CD ARG A 24 7.143 -6.891 -10.380 1.00 0.00 C ATOM 373 NE ARG A 24 8.437 -7.193 -10.996 1.00 0.00 N ATOM 374 CZ ARG A 24 8.963 -6.564 -12.055 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.272 -5.612 -12.687 1.00 0.00 N ATOM 376 NH2 ARG A 24 10.173 -6.902 -12.486 1.00 0.00 N ATOM 0 H ARG A 24 5.661 -8.050 -6.956 1.00 0.00 H new ATOM 0 HA ARG A 24 6.798 -10.642 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.793 -9.330 -9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.042 -9.257 -9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.102 -7.059 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.847 -7.135 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.346 -7.284 -11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.012 -5.810 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 24 8.985 -7.948 -10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.338 -5.360 -12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.678 -5.137 -13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.697 -7.637 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.579 -6.426 -13.292 1.00 0.00 H new ATOM 390 N ALA A 25 8.236 -8.746 -5.762 1.00 0.00 N ATOM 391 CA ALA A 25 9.436 -8.297 -5.060 1.00 0.00 C ATOM 392 C ALA A 25 10.066 -9.389 -4.250 1.00 0.00 C ATOM 393 O ALA A 25 11.082 -9.183 -3.587 1.00 0.00 O ATOM 394 CB ALA A 25 9.127 -7.138 -4.160 1.00 0.00 C ATOM 0 H ALA A 25 7.370 -8.600 -5.243 1.00 0.00 H new ATOM 0 HA ALA A 25 10.144 -7.990 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.036 -6.822 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.738 -6.310 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.382 -7.438 -3.423 1.00 0.00 H new ATOM 400 N GLU A 26 9.496 -10.554 -4.312 1.00 0.00 N ATOM 401 CA GLU A 26 10.017 -11.698 -3.597 1.00 0.00 C ATOM 402 C GLU A 26 11.140 -12.330 -4.430 1.00 0.00 C ATOM 403 O GLU A 26 11.196 -13.554 -4.607 1.00 0.00 O ATOM 404 CB GLU A 26 8.906 -12.710 -3.375 1.00 0.00 C ATOM 405 CG GLU A 26 7.692 -12.172 -2.654 1.00 0.00 C ATOM 406 CD GLU A 26 6.692 -13.253 -2.352 1.00 0.00 C ATOM 407 OE1 GLU A 26 5.904 -13.639 -3.246 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.671 -13.748 -1.210 1.00 0.00 O ATOM 0 H GLU A 26 8.656 -10.747 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 26 10.408 -11.386 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.592 -13.102 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.307 -13.549 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.004 -11.696 -1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.220 -11.401 -3.264 1.00 0.00 H new ATOM 415 N GLY A 27 12.027 -11.488 -4.912 1.00 0.00 N ATOM 416 CA GLY A 27 13.083 -11.900 -5.780 1.00 0.00 C ATOM 417 C GLY A 27 14.170 -12.628 -5.064 1.00 0.00 C ATOM 418 O GLY A 27 14.286 -13.840 -5.193 1.00 0.00 O ATOM 0 H GLY A 27 12.027 -10.489 -4.704 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.675 -12.542 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.503 -11.024 -6.274 1.00 0.00 H new ATOM 422 N ALA A 28 14.956 -11.901 -4.299 1.00 0.00 N ATOM 423 CA ALA A 28 16.063 -12.499 -3.579 1.00 0.00 C ATOM 424 C ALA A 28 15.539 -13.340 -2.451 1.00 0.00 C ATOM 425 O ALA A 28 15.610 -14.570 -2.472 1.00 0.00 O ATOM 426 CB ALA A 28 17.010 -11.431 -3.024 1.00 0.00 C ATOM 0 H ALA A 28 14.850 -10.896 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 28 16.623 -13.121 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 28 17.829 -11.913 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.412 -10.838 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.464 -10.780 -2.341 1.00 0.00 H new ATOM 432 N THR A 29 14.970 -12.678 -1.500 1.00 0.00 N ATOM 433 CA THR A 29 14.471 -13.285 -0.316 1.00 0.00 C ATOM 434 C THR A 29 13.234 -12.530 0.116 1.00 0.00 C ATOM 435 O THR A 29 12.812 -11.579 -0.557 1.00 0.00 O ATOM 436 CB THR A 29 15.531 -13.181 0.809 1.00 0.00 C ATOM 437 OG1 THR A 29 16.004 -11.824 0.873 1.00 0.00 O ATOM 438 CG2 THR A 29 16.705 -14.127 0.584 1.00 0.00 C ATOM 0 H THR A 29 14.836 -11.667 -1.528 1.00 0.00 H new ATOM 0 HA THR A 29 14.242 -14.334 -0.505 1.00 0.00 H new ATOM 0 HB THR A 29 15.061 -13.471 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.675 -11.745 1.583 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.421 -14.018 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.343 -15.155 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.191 -13.886 -0.361 1.00 0.00 H new ATOM 446 N GLU A 30 12.678 -12.907 1.238 1.00 0.00 N ATOM 447 CA GLU A 30 11.552 -12.210 1.812 1.00 0.00 C ATOM 448 C GLU A 30 11.985 -10.834 2.348 1.00 0.00 C ATOM 449 O GLU A 30 11.161 -9.968 2.610 1.00 0.00 O ATOM 450 CB GLU A 30 10.909 -13.060 2.900 1.00 0.00 C ATOM 451 CG GLU A 30 11.849 -13.468 4.014 1.00 0.00 C ATOM 452 CD GLU A 30 11.178 -14.364 5.001 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.162 -15.609 4.786 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.642 -13.853 6.000 1.00 0.00 O ATOM 0 H GLU A 30 12.993 -13.709 1.783 1.00 0.00 H new ATOM 0 HA GLU A 30 10.806 -12.039 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.074 -12.507 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.494 -13.959 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.716 -13.976 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.219 -12.578 4.523 1.00 0.00 H new ATOM 461 N GLU A 31 13.283 -10.644 2.467 1.00 0.00 N ATOM 462 CA GLU A 31 13.865 -9.384 2.907 1.00 0.00 C ATOM 463 C GLU A 31 13.747 -8.377 1.760 1.00 0.00 C ATOM 464 O GLU A 31 13.581 -7.174 1.964 1.00 0.00 O ATOM 465 CB GLU A 31 15.342 -9.606 3.204 1.00 0.00 C ATOM 466 CG GLU A 31 15.623 -10.749 4.154 1.00 0.00 C ATOM 467 CD GLU A 31 15.115 -10.486 5.551 1.00 0.00 C ATOM 468 OE1 GLU A 31 13.932 -10.734 5.832 1.00 0.00 O ATOM 469 OE2 GLU A 31 15.907 -10.006 6.396 1.00 0.00 O ATOM 0 H GLU A 31 13.974 -11.365 2.260 1.00 0.00 H new ATOM 0 HA GLU A 31 13.353 -9.017 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.865 -9.792 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.757 -8.690 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.160 -11.658 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.697 -10.929 4.191 1.00 0.00 H new ATOM 476 N ASP A 32 13.814 -8.908 0.560 1.00 0.00 N ATOM 477 CA ASP A 32 13.737 -8.139 -0.687 1.00 0.00 C ATOM 478 C ASP A 32 12.302 -7.633 -0.867 1.00 0.00 C ATOM 479 O ASP A 32 12.059 -6.529 -1.359 1.00 0.00 O ATOM 480 CB ASP A 32 14.196 -9.066 -1.825 1.00 0.00 C ATOM 481 CG ASP A 32 14.315 -8.435 -3.184 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.473 -7.220 -3.285 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.297 -9.182 -4.192 1.00 0.00 O ATOM 0 H ASP A 32 13.926 -9.910 0.408 1.00 0.00 H new ATOM 0 HA ASP A 32 14.383 -7.261 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.165 -9.486 -1.556 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.496 -9.898 -1.893 1.00 0.00 H new ATOM 488 N ASP A 33 11.381 -8.444 -0.413 1.00 0.00 N ATOM 489 CA ASP A 33 9.952 -8.097 -0.317 1.00 0.00 C ATOM 490 C ASP A 33 9.790 -7.008 0.740 1.00 0.00 C ATOM 491 O ASP A 33 9.265 -5.916 0.473 1.00 0.00 O ATOM 492 CB ASP A 33 9.172 -9.383 0.078 1.00 0.00 C ATOM 493 CG ASP A 33 7.741 -9.182 0.590 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.577 -8.844 1.782 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.788 -9.481 -0.144 1.00 0.00 O ATOM 0 H ASP A 33 11.589 -9.388 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 33 9.563 -7.722 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.135 -10.040 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.740 -9.904 0.848 1.00 0.00 H new ATOM 500 N ASN A 34 10.338 -7.300 1.903 1.00 0.00 N ATOM 501 CA ASN A 34 10.309 -6.447 3.083 1.00 0.00 C ATOM 502 C ASN A 34 10.754 -5.024 2.818 1.00 0.00 C ATOM 503 O ASN A 34 10.067 -4.088 3.211 1.00 0.00 O ATOM 504 CB ASN A 34 11.192 -7.062 4.158 1.00 0.00 C ATOM 505 CG ASN A 34 11.403 -6.183 5.370 1.00 0.00 C ATOM 506 OD1 ASN A 34 12.320 -5.357 5.415 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.614 -6.388 6.364 1.00 0.00 N ATOM 0 H ASN A 34 10.838 -8.175 2.062 1.00 0.00 H new ATOM 0 HA ASN A 34 9.270 -6.388 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.749 -8.004 4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.163 -7.299 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.734 -5.859 7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.868 -7.079 6.289 1.00 0.00 H new ATOM 514 N LYS A 35 11.882 -4.857 2.141 1.00 0.00 N ATOM 515 CA LYS A 35 12.438 -3.526 1.933 1.00 0.00 C ATOM 516 C LYS A 35 11.500 -2.632 1.129 1.00 0.00 C ATOM 517 O LYS A 35 11.457 -1.419 1.349 1.00 0.00 O ATOM 518 CB LYS A 35 13.855 -3.561 1.337 1.00 0.00 C ATOM 519 CG LYS A 35 13.960 -4.155 -0.056 1.00 0.00 C ATOM 520 CD LYS A 35 15.406 -4.195 -0.522 1.00 0.00 C ATOM 521 CE LYS A 35 15.523 -4.732 -1.937 1.00 0.00 C ATOM 522 NZ LYS A 35 16.930 -4.867 -2.369 1.00 0.00 N ATOM 0 H LYS A 35 12.425 -5.617 1.730 1.00 0.00 H new ATOM 0 HA LYS A 35 12.534 -3.078 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.245 -2.544 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.499 -4.132 2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.545 -5.163 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.365 -3.564 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.831 -3.192 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.990 -4.820 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.032 -5.703 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.997 -4.066 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.961 -5.237 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.394 -3.937 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.427 -5.523 -1.733 1.00 0.00 H new ATOM 536 N LEU A 36 10.730 -3.212 0.210 1.00 0.00 N ATOM 537 CA LEU A 36 9.731 -2.404 -0.474 1.00 0.00 C ATOM 538 C LEU A 36 8.602 -2.089 0.465 1.00 0.00 C ATOM 539 O LEU A 36 8.221 -0.934 0.615 1.00 0.00 O ATOM 540 CB LEU A 36 9.181 -3.050 -1.741 1.00 0.00 C ATOM 541 CG LEU A 36 10.105 -3.103 -2.948 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.355 -3.689 -4.117 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.607 -1.711 -3.306 1.00 0.00 C ATOM 0 H LEU A 36 10.775 -4.193 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 36 10.237 -1.491 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.882 -4.070 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.277 -2.513 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 36 10.966 -3.726 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.011 -3.730 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.020 -4.696 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.490 -3.065 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.266 -1.773 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.759 -1.068 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.156 -1.294 -2.462 1.00 0.00 H new ATOM 555 N VAL A 37 8.119 -3.114 1.150 1.00 0.00 N ATOM 556 CA VAL A 37 7.005 -2.987 2.090 1.00 0.00 C ATOM 557 C VAL A 37 7.274 -1.882 3.113 1.00 0.00 C ATOM 558 O VAL A 37 6.401 -1.091 3.416 1.00 0.00 O ATOM 559 CB VAL A 37 6.726 -4.323 2.859 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.534 -4.160 3.778 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.464 -5.465 1.903 1.00 0.00 C ATOM 0 H VAL A 37 8.487 -4.062 1.073 1.00 0.00 H new ATOM 0 HA VAL A 37 6.128 -2.736 1.493 1.00 0.00 H new ATOM 0 HB VAL A 37 7.615 -4.556 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.351 -5.096 4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.737 -3.369 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.655 -3.897 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.274 -6.377 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.595 -5.232 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.334 -5.610 1.262 1.00 0.00 H new ATOM 571 N ARG A 38 8.493 -1.805 3.589 1.00 0.00 N ATOM 572 CA ARG A 38 8.828 -0.853 4.626 1.00 0.00 C ATOM 573 C ARG A 38 8.782 0.598 4.167 1.00 0.00 C ATOM 574 O ARG A 38 8.385 1.463 4.945 1.00 0.00 O ATOM 575 CB ARG A 38 10.155 -1.172 5.302 1.00 0.00 C ATOM 576 CG ARG A 38 10.224 -2.561 5.923 1.00 0.00 C ATOM 577 CD ARG A 38 9.007 -2.864 6.791 1.00 0.00 C ATOM 578 NE ARG A 38 8.850 -1.922 7.911 1.00 0.00 N ATOM 579 CZ ARG A 38 7.687 -1.595 8.513 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.522 -2.069 8.050 1.00 0.00 N ATOM 581 NH2 ARG A 38 7.692 -0.789 9.566 1.00 0.00 N ATOM 0 H ARG A 38 9.270 -2.388 3.277 1.00 0.00 H new ATOM 0 HA ARG A 38 8.039 -0.964 5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.956 -1.074 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.342 -0.430 6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.299 -3.307 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.128 -2.643 6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.110 -2.836 6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.092 -3.877 7.185 1.00 0.00 H new ATOM 0 HE ARG A 38 9.697 -1.476 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.509 -2.683 7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.649 -1.816 8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.574 -0.417 9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.814 -0.541 10.022 1.00 0.00 H new ATOM 595 N GLU A 39 9.145 0.882 2.911 1.00 0.00 N ATOM 596 CA GLU A 39 9.100 2.276 2.469 1.00 0.00 C ATOM 597 C GLU A 39 7.649 2.697 2.326 1.00 0.00 C ATOM 598 O GLU A 39 7.275 3.818 2.669 1.00 0.00 O ATOM 599 CB GLU A 39 9.872 2.548 1.146 1.00 0.00 C ATOM 600 CG GLU A 39 9.209 2.023 -0.123 1.00 0.00 C ATOM 601 CD GLU A 39 9.934 2.425 -1.378 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.650 3.510 -1.925 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.802 1.672 -1.851 1.00 0.00 O ATOM 0 H GLU A 39 9.457 0.204 2.216 1.00 0.00 H new ATOM 0 HA GLU A 39 9.608 2.869 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.012 3.624 1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.864 2.103 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.155 0.935 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.184 2.391 -0.169 1.00 0.00 H new ATOM 610 N PHE A 40 6.834 1.766 1.880 1.00 0.00 N ATOM 611 CA PHE A 40 5.441 2.012 1.665 1.00 0.00 C ATOM 612 C PHE A 40 4.682 2.083 2.972 1.00 0.00 C ATOM 613 O PHE A 40 3.910 3.004 3.189 1.00 0.00 O ATOM 614 CB PHE A 40 4.858 0.979 0.721 1.00 0.00 C ATOM 615 CG PHE A 40 5.408 1.079 -0.682 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.199 2.219 -1.441 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.131 0.038 -1.239 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.700 2.312 -2.724 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.633 0.125 -2.519 1.00 0.00 C ATOM 620 CZ PHE A 40 6.418 1.262 -3.263 1.00 0.00 C ATOM 0 H PHE A 40 7.129 0.815 1.658 1.00 0.00 H new ATOM 0 HA PHE A 40 5.335 2.988 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.060 -0.018 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.775 1.096 0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.639 3.043 -1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.304 -0.857 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.531 3.206 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.194 -0.698 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.810 1.334 -4.267 1.00 0.00 H new ATOM 630 N GLU A 41 4.955 1.154 3.860 1.00 0.00 N ATOM 631 CA GLU A 41 4.335 1.122 5.163 1.00 0.00 C ATOM 632 C GLU A 41 4.733 2.287 6.058 1.00 0.00 C ATOM 633 O GLU A 41 4.056 2.609 7.047 1.00 0.00 O ATOM 634 CB GLU A 41 4.475 -0.249 5.817 1.00 0.00 C ATOM 635 CG GLU A 41 3.418 -1.181 5.259 1.00 0.00 C ATOM 636 CD GLU A 41 2.093 -0.543 5.452 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.677 -0.439 6.612 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.468 -0.111 4.489 1.00 0.00 O ATOM 0 H GLU A 41 5.617 0.396 3.697 1.00 0.00 H new ATOM 0 HA GLU A 41 3.267 1.274 5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.469 -0.654 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.365 -0.162 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.598 -1.371 4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.454 -2.145 5.767 1.00 0.00 H new ATOM 645 N ARG A 42 5.798 2.948 5.701 1.00 0.00 N ATOM 646 CA ARG A 42 6.195 4.152 6.378 1.00 0.00 C ATOM 647 C ARG A 42 5.269 5.284 5.945 1.00 0.00 C ATOM 648 O ARG A 42 4.787 6.072 6.754 1.00 0.00 O ATOM 649 CB ARG A 42 7.619 4.488 6.012 1.00 0.00 C ATOM 650 CG ARG A 42 8.163 5.690 6.736 1.00 0.00 C ATOM 651 CD ARG A 42 9.608 5.924 6.378 1.00 0.00 C ATOM 652 NE ARG A 42 10.154 7.088 7.055 1.00 0.00 N ATOM 653 CZ ARG A 42 11.219 7.778 6.660 1.00 0.00 C ATOM 654 NH1 ARG A 42 11.881 7.424 5.566 1.00 0.00 N ATOM 655 NH2 ARG A 42 11.627 8.810 7.365 1.00 0.00 N ATOM 0 H ARG A 42 6.413 2.670 4.936 1.00 0.00 H new ATOM 0 HA ARG A 42 6.129 4.014 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.253 3.628 6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.676 4.665 4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.574 6.571 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.070 5.545 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.194 5.043 6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.698 6.056 5.300 1.00 0.00 H new ATOM 0 HE ARG A 42 9.681 7.401 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.573 6.618 5.022 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.698 7.958 5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.127 9.079 8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.444 9.342 7.065 1.00 0.00 H new ATOM 669 N LEU A 43 5.007 5.305 4.666 1.00 0.00 N ATOM 670 CA LEU A 43 4.171 6.313 4.033 1.00 0.00 C ATOM 671 C LEU A 43 2.709 6.174 4.449 1.00 0.00 C ATOM 672 O LEU A 43 2.013 7.172 4.633 1.00 0.00 O ATOM 673 CB LEU A 43 4.282 6.190 2.509 1.00 0.00 C ATOM 674 CG LEU A 43 5.667 6.422 1.914 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.677 6.074 0.436 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.099 7.862 2.118 1.00 0.00 C ATOM 0 H LEU A 43 5.372 4.611 4.013 1.00 0.00 H new ATOM 0 HA LEU A 43 4.523 7.292 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.948 5.193 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.591 6.901 2.057 1.00 0.00 H new ATOM 0 HG LEU A 43 6.374 5.771 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.673 6.246 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.408 5.026 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.957 6.701 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.089 8.009 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.388 8.528 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.130 8.085 3.185 1.00 0.00 H new ATOM 688 N THR A 44 2.269 4.951 4.613 1.00 0.00 N ATOM 689 CA THR A 44 0.885 4.655 4.923 1.00 0.00 C ATOM 690 C THR A 44 0.547 4.881 6.376 1.00 0.00 C ATOM 691 O THR A 44 -0.499 5.481 6.689 1.00 0.00 O ATOM 692 CB THR A 44 0.585 3.193 4.604 1.00 0.00 C ATOM 693 OG1 THR A 44 1.508 2.377 5.301 1.00 0.00 O ATOM 694 CG2 THR A 44 0.701 2.922 3.136 1.00 0.00 C ATOM 0 H THR A 44 2.862 4.125 4.535 1.00 0.00 H new ATOM 0 HA THR A 44 0.285 5.333 4.317 1.00 0.00 H new ATOM 0 HB THR A 44 -0.437 2.972 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.214 1.443 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.481 1.872 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.008 3.548 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.714 3.149 2.803 1.00 0.00 H new ATOM 702 N GLU A 45 1.445 4.391 7.258 1.00 0.00 N ATOM 703 CA GLU A 45 1.224 4.307 8.677 1.00 0.00 C ATOM 704 C GLU A 45 0.089 3.290 8.910 1.00 0.00 C ATOM 705 O GLU A 45 -0.624 3.307 9.922 1.00 0.00 O ATOM 706 CB GLU A 45 0.927 5.690 9.283 1.00 0.00 C ATOM 707 CG GLU A 45 0.910 5.682 10.784 1.00 0.00 C ATOM 708 CD GLU A 45 0.828 7.047 11.377 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.882 7.708 11.512 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.291 7.507 11.720 1.00 0.00 O ATOM 0 H GLU A 45 2.359 4.040 6.973 1.00 0.00 H new ATOM 0 HA GLU A 45 2.123 3.962 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.678 6.401 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.037 6.042 8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.061 5.092 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.811 5.188 11.149 1.00 0.00 H new ATOM 717 N HIS A 46 -0.022 2.348 7.987 1.00 0.00 N ATOM 718 CA HIS A 46 -1.080 1.398 8.039 1.00 0.00 C ATOM 719 C HIS A 46 -0.736 0.213 9.011 1.00 0.00 C ATOM 720 O HIS A 46 0.288 -0.434 8.903 1.00 0.00 O ATOM 721 CB HIS A 46 -1.506 0.939 6.613 1.00 0.00 C ATOM 722 CG HIS A 46 -2.799 0.192 6.629 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.929 -1.067 7.132 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.050 0.632 6.400 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.224 -1.334 7.246 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.951 -0.343 6.798 1.00 0.00 N ATOM 0 H HIS A 46 0.616 2.235 7.199 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.958 1.884 8.464 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.598 1.810 5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.727 0.306 6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.310 1.590 5.975 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.625 -2.250 7.655 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.969 -0.297 6.751 1.00 0.00 H new ATOM 734 N PRO A 47 -1.633 -0.065 9.953 1.00 0.00 N ATOM 735 CA PRO A 47 -1.439 -1.049 11.042 1.00 0.00 C ATOM 736 C PRO A 47 -1.206 -2.444 10.589 1.00 0.00 C ATOM 737 O PRO A 47 -0.412 -3.195 11.167 1.00 0.00 O ATOM 738 CB PRO A 47 -2.758 -1.020 11.770 1.00 0.00 C ATOM 739 CG PRO A 47 -3.711 -0.304 10.908 1.00 0.00 C ATOM 740 CD PRO A 47 -2.922 0.576 10.051 1.00 0.00 C ATOM 0 HA PRO A 47 -0.555 -0.783 11.622 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.108 -2.032 11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.656 -0.518 12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.294 -1.005 10.311 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.418 0.271 11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.383 0.690 9.070 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.836 1.574 10.481 1.00 0.00 H new ATOM 748 N ASP A 48 -1.872 -2.790 9.569 1.00 0.00 N ATOM 749 CA ASP A 48 -1.848 -4.108 9.095 1.00 0.00 C ATOM 750 C ASP A 48 -1.361 -4.051 7.700 1.00 0.00 C ATOM 751 O ASP A 48 -1.575 -4.941 6.938 1.00 0.00 O ATOM 752 CB ASP A 48 -3.253 -4.745 9.143 1.00 0.00 C ATOM 753 CG ASP A 48 -3.824 -4.856 10.544 1.00 0.00 C ATOM 754 OD1 ASP A 48 -4.405 -3.877 11.040 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.718 -5.938 11.167 1.00 0.00 O ATOM 0 H ASP A 48 -2.460 -2.156 9.028 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.199 -4.723 9.718 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.932 -4.153 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.207 -5.739 8.699 1.00 0.00 H new ATOM 760 N GLY A 49 -0.678 -2.955 7.392 1.00 0.00 N ATOM 761 CA GLY A 49 -0.189 -2.682 6.023 1.00 0.00 C ATOM 762 C GLY A 49 0.649 -3.742 5.455 1.00 0.00 C ATOM 763 O GLY A 49 0.379 -4.226 4.355 1.00 0.00 O ATOM 0 H GLY A 49 -0.443 -2.229 8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.047 -2.524 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.380 -1.752 6.032 1.00 0.00 H new ATOM 767 N SER A 50 1.634 -4.131 6.178 1.00 0.00 N ATOM 768 CA SER A 50 2.482 -5.214 5.719 1.00 0.00 C ATOM 769 C SER A 50 1.632 -6.501 5.615 1.00 0.00 C ATOM 770 O SER A 50 1.685 -7.228 4.623 1.00 0.00 O ATOM 771 CB SER A 50 3.669 -5.421 6.666 1.00 0.00 C ATOM 772 OG SER A 50 4.395 -4.204 6.891 1.00 0.00 O ATOM 0 H SER A 50 1.887 -3.733 7.083 1.00 0.00 H new ATOM 0 HA SER A 50 2.889 -4.965 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.309 -5.810 7.619 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.340 -6.171 6.248 1.00 0.00 H new ATOM 0 HG SER A 50 5.142 -4.377 7.501 1.00 0.00 H new ATOM 778 N ASP A 51 0.769 -6.694 6.602 1.00 0.00 N ATOM 779 CA ASP A 51 -0.093 -7.877 6.697 1.00 0.00 C ATOM 780 C ASP A 51 -1.136 -7.934 5.595 1.00 0.00 C ATOM 781 O ASP A 51 -1.620 -8.995 5.286 1.00 0.00 O ATOM 782 CB ASP A 51 -0.767 -7.984 8.068 1.00 0.00 C ATOM 783 CG ASP A 51 0.198 -8.326 9.171 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.813 -7.398 9.762 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.361 -9.517 9.476 1.00 0.00 O ATOM 0 H ASP A 51 0.642 -6.033 7.368 1.00 0.00 H new ATOM 0 HA ASP A 51 0.568 -8.734 6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.257 -7.039 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.546 -8.745 8.025 1.00 0.00 H new ATOM 790 N LEU A 52 -1.464 -6.790 5.005 1.00 0.00 N ATOM 791 CA LEU A 52 -2.418 -6.704 3.881 1.00 0.00 C ATOM 792 C LEU A 52 -1.871 -7.474 2.704 1.00 0.00 C ATOM 793 O LEU A 52 -2.594 -8.156 1.970 1.00 0.00 O ATOM 794 CB LEU A 52 -2.600 -5.235 3.427 1.00 0.00 C ATOM 795 CG LEU A 52 -3.151 -4.234 4.441 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.192 -2.847 3.840 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.527 -4.635 4.900 1.00 0.00 C ATOM 0 H LEU A 52 -1.080 -5.888 5.286 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.372 -7.111 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.631 -4.868 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.263 -5.233 2.562 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.487 -4.229 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.587 -2.144 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.185 -2.545 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.834 -2.851 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.897 -3.906 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.200 -4.671 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.482 -5.618 5.368 1.00 0.00 H new ATOM 809 N ILE A 53 -0.577 -7.394 2.572 1.00 0.00 N ATOM 810 CA ILE A 53 0.130 -7.965 1.447 1.00 0.00 C ATOM 811 C ILE A 53 0.350 -9.447 1.694 1.00 0.00 C ATOM 812 O ILE A 53 0.481 -10.254 0.764 1.00 0.00 O ATOM 813 CB ILE A 53 1.500 -7.269 1.313 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.306 -5.748 1.327 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.197 -7.704 0.023 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.581 -4.975 1.527 1.00 0.00 C ATOM 0 H ILE A 53 0.029 -6.927 3.247 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.451 -7.826 0.535 1.00 0.00 H new ATOM 0 HB ILE A 53 2.129 -7.558 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.850 -5.441 0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.606 -5.488 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.162 -7.204 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.348 -8.783 0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.578 -7.436 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.363 -3.907 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.029 -5.252 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.276 -5.205 0.720 1.00 0.00 H new ATOM 828 N TYR A 54 0.370 -9.795 2.951 1.00 0.00 N ATOM 829 CA TYR A 54 0.658 -11.136 3.357 1.00 0.00 C ATOM 830 C TYR A 54 -0.599 -11.978 3.540 1.00 0.00 C ATOM 831 O TYR A 54 -0.631 -13.137 3.137 1.00 0.00 O ATOM 832 CB TYR A 54 1.501 -11.133 4.630 1.00 0.00 C ATOM 833 CG TYR A 54 2.828 -10.415 4.502 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.614 -10.554 3.363 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.281 -9.573 5.504 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.805 -9.881 3.235 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.471 -8.890 5.376 1.00 0.00 C ATOM 838 CZ TYR A 54 5.224 -9.046 4.239 1.00 0.00 C ATOM 839 OH TYR A 54 6.409 -8.371 4.110 1.00 0.00 O ATOM 0 H TYR A 54 0.186 -9.153 3.722 1.00 0.00 H new ATOM 0 HA TYR A 54 1.227 -11.601 2.552 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.926 -10.667 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.688 -12.164 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.282 -11.202 2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.692 -9.450 6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.408 -10.009 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.809 -8.236 6.166 1.00 0.00 H new ATOM 0 HH TYR A 54 6.704 -8.403 3.176 1.00 0.00 H new ATOM 849 N TYR A 55 -1.619 -11.412 4.136 1.00 0.00 N ATOM 850 CA TYR A 55 -2.822 -12.149 4.436 1.00 0.00 C ATOM 851 C TYR A 55 -4.041 -11.309 4.072 1.00 0.00 C ATOM 852 O TYR A 55 -4.119 -10.130 4.468 1.00 0.00 O ATOM 853 CB TYR A 55 -2.901 -12.480 5.944 1.00 0.00 C ATOM 854 CG TYR A 55 -1.667 -13.133 6.531 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.373 -14.467 6.290 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.797 -12.402 7.334 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.242 -15.054 6.828 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.331 -12.979 7.875 1.00 0.00 C ATOM 859 CZ TYR A 55 0.606 -14.304 7.619 1.00 0.00 C ATOM 860 OH TYR A 55 1.732 -14.880 8.157 1.00 0.00 O ATOM 0 H TYR A 55 -1.640 -10.434 4.425 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.804 -13.074 3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.099 -11.558 6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.754 -13.138 6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.036 -15.056 5.674 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.010 -11.363 7.537 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.023 -16.093 6.631 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.995 -12.396 8.496 1.00 0.00 H new ATOM 0 HH TYR A 55 2.219 -14.214 8.686 1.00 0.00 H new ATOM 870 N PRO A 56 -5.003 -11.890 3.327 1.00 0.00 N ATOM 871 CA PRO A 56 -6.267 -11.220 2.980 1.00 0.00 C ATOM 872 C PRO A 56 -6.992 -10.748 4.238 1.00 0.00 C ATOM 873 O PRO A 56 -6.797 -11.314 5.329 1.00 0.00 O ATOM 874 CB PRO A 56 -7.085 -12.310 2.261 1.00 0.00 C ATOM 875 CG PRO A 56 -6.372 -13.590 2.537 1.00 0.00 C ATOM 876 CD PRO A 56 -4.932 -13.230 2.746 1.00 0.00 C ATOM 0 HA PRO A 56 -6.114 -10.334 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.109 -12.343 2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.142 -12.116 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.782 -14.082 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.483 -14.285 1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.434 -13.933 3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.376 -13.233 1.808 1.00 0.00 H new ATOM 884 N ARG A 57 -7.816 -9.737 4.110 1.00 0.00 N ATOM 885 CA ARG A 57 -8.452 -9.171 5.272 1.00 0.00 C ATOM 886 C ARG A 57 -9.775 -9.853 5.607 1.00 0.00 C ATOM 887 O ARG A 57 -9.812 -11.055 5.869 1.00 0.00 O ATOM 888 CB ARG A 57 -8.673 -7.675 5.066 1.00 0.00 C ATOM 889 CG ARG A 57 -7.432 -6.824 5.034 1.00 0.00 C ATOM 890 CD ARG A 57 -6.684 -6.928 6.335 1.00 0.00 C ATOM 891 NE ARG A 57 -5.731 -8.055 6.358 1.00 0.00 N ATOM 892 CZ ARG A 57 -5.088 -8.504 7.443 1.00 0.00 C ATOM 893 NH1 ARG A 57 -5.370 -8.010 8.650 1.00 0.00 N ATOM 894 NH2 ARG A 57 -4.173 -9.455 7.312 1.00 0.00 N ATOM 0 H ARG A 57 -8.059 -9.294 3.224 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.784 -9.335 6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.212 -7.533 4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.320 -7.310 5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.789 -7.140 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.702 -5.785 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.144 -5.998 6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.397 -7.045 7.151 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.547 -8.531 5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.080 -7.285 8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.875 -8.358 9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.964 -9.838 6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.678 -9.803 8.133 1.00 0.00 H new ATOM 908 N ASP A 58 -10.857 -9.115 5.564 1.00 0.00 N ATOM 909 CA ASP A 58 -12.151 -9.684 5.880 1.00 0.00 C ATOM 910 C ASP A 58 -13.136 -9.535 4.751 1.00 0.00 C ATOM 911 O ASP A 58 -13.706 -10.510 4.270 1.00 0.00 O ATOM 912 CB ASP A 58 -12.729 -9.091 7.160 1.00 0.00 C ATOM 913 CG ASP A 58 -14.076 -9.696 7.501 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.110 -10.820 8.048 1.00 0.00 O ATOM 915 OD2 ASP A 58 -15.120 -9.072 7.211 1.00 0.00 O ATOM 0 H ASP A 58 -10.872 -8.126 5.316 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.982 -10.750 6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.036 -9.259 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.833 -8.012 7.046 1.00 0.00 H new ATOM 920 N ASP A 59 -13.318 -8.300 4.339 1.00 0.00 N ATOM 921 CA ASP A 59 -14.363 -7.923 3.353 1.00 0.00 C ATOM 922 C ASP A 59 -13.727 -7.434 2.054 1.00 0.00 C ATOM 923 O ASP A 59 -14.397 -7.086 1.076 1.00 0.00 O ATOM 924 CB ASP A 59 -15.263 -6.825 3.989 1.00 0.00 C ATOM 925 CG ASP A 59 -16.356 -6.266 3.079 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.303 -6.994 2.720 1.00 0.00 O ATOM 927 OD2 ASP A 59 -16.284 -5.074 2.711 1.00 0.00 O ATOM 0 H ASP A 59 -12.757 -7.513 4.665 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.972 -8.792 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.733 -7.237 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.627 -6.001 4.314 1.00 0.00 H new ATOM 932 N ARG A 60 -12.436 -7.469 2.033 1.00 0.00 N ATOM 933 CA ARG A 60 -11.686 -6.950 0.967 1.00 0.00 C ATOM 934 C ARG A 60 -11.427 -7.986 -0.110 1.00 0.00 C ATOM 935 O ARG A 60 -11.373 -9.196 0.155 1.00 0.00 O ATOM 936 CB ARG A 60 -10.389 -6.440 1.545 1.00 0.00 C ATOM 937 CG ARG A 60 -9.442 -5.832 0.574 1.00 0.00 C ATOM 938 CD ARG A 60 -10.086 -4.663 -0.168 1.00 0.00 C ATOM 939 NE ARG A 60 -10.729 -3.712 0.733 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.905 -3.136 0.541 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.563 -3.307 -0.592 1.00 0.00 N ATOM 942 NH2 ARG A 60 -12.389 -2.351 1.480 1.00 0.00 N ATOM 0 H ARG A 60 -11.871 -7.872 2.781 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.242 -6.148 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.621 -5.699 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.886 -7.268 2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.551 -5.487 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.118 -6.587 -0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.326 -4.146 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.824 -5.047 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.227 -3.469 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.165 -3.888 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.469 -2.858 -0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.859 -2.195 2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.294 -1.898 1.350 1.00 0.00 H new ATOM 956 N GLU A 61 -11.342 -7.512 -1.309 1.00 0.00 N ATOM 957 CA GLU A 61 -10.937 -8.296 -2.420 1.00 0.00 C ATOM 958 C GLU A 61 -9.432 -8.383 -2.366 1.00 0.00 C ATOM 959 O GLU A 61 -8.745 -7.351 -2.287 1.00 0.00 O ATOM 960 CB GLU A 61 -11.371 -7.628 -3.718 1.00 0.00 C ATOM 961 CG GLU A 61 -11.070 -8.449 -4.944 1.00 0.00 C ATOM 962 CD GLU A 61 -11.704 -9.802 -4.871 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.924 -9.906 -5.071 1.00 0.00 O ATOM 964 OE2 GLU A 61 -10.994 -10.784 -4.629 1.00 0.00 O ATOM 0 H GLU A 61 -11.559 -6.544 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.390 -9.287 -2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.442 -7.431 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.873 -6.663 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.429 -7.926 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.991 -8.558 -5.054 1.00 0.00 H new ATOM 971 N ASP A 62 -8.912 -9.567 -2.400 1.00 0.00 N ATOM 972 CA ASP A 62 -7.482 -9.733 -2.276 1.00 0.00 C ATOM 973 C ASP A 62 -6.832 -9.639 -3.631 1.00 0.00 C ATOM 974 O ASP A 62 -6.684 -10.632 -4.350 1.00 0.00 O ATOM 975 CB ASP A 62 -7.109 -11.034 -1.563 1.00 0.00 C ATOM 976 CG ASP A 62 -5.608 -11.189 -1.374 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.050 -10.565 -0.467 1.00 0.00 O ATOM 978 OD2 ASP A 62 -4.970 -11.971 -2.127 1.00 0.00 O ATOM 0 H ASP A 62 -9.441 -10.432 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.104 -8.924 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.599 -11.064 -0.590 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.488 -11.880 -2.137 1.00 0.00 H new ATOM 983 N SER A 63 -6.554 -8.441 -4.019 1.00 0.00 N ATOM 984 CA SER A 63 -5.928 -8.164 -5.268 1.00 0.00 C ATOM 985 C SER A 63 -5.027 -6.966 -5.052 1.00 0.00 C ATOM 986 O SER A 63 -5.187 -6.286 -4.032 1.00 0.00 O ATOM 987 CB SER A 63 -7.023 -7.827 -6.296 1.00 0.00 C ATOM 988 OG SER A 63 -7.766 -6.680 -5.884 1.00 0.00 O ATOM 0 H SER A 63 -6.760 -7.609 -3.466 1.00 0.00 H new ATOM 0 HA SER A 63 -5.350 -9.012 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.570 -7.642 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.694 -8.678 -6.413 1.00 0.00 H new ATOM 0 HG SER A 63 -8.456 -6.480 -6.551 1.00 0.00 H new ATOM 994 N PRO A 64 -4.058 -6.678 -5.961 1.00 0.00 N ATOM 995 CA PRO A 64 -3.247 -5.458 -5.875 1.00 0.00 C ATOM 996 C PRO A 64 -4.155 -4.218 -5.766 1.00 0.00 C ATOM 997 O PRO A 64 -3.852 -3.264 -5.064 1.00 0.00 O ATOM 998 CB PRO A 64 -2.464 -5.466 -7.211 1.00 0.00 C ATOM 999 CG PRO A 64 -2.328 -6.906 -7.512 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.633 -7.533 -7.094 1.00 0.00 C ATOM 0 HA PRO A 64 -2.594 -5.425 -5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.004 -4.939 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.493 -4.982 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.137 -7.068 -8.573 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.491 -7.343 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.363 -7.525 -7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.504 -8.572 -6.791 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.285 -4.286 -6.425 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.259 -3.235 -6.395 1.00 0.00 C ATOM 1010 C GLU A 65 -6.909 -3.129 -5.010 1.00 0.00 C ATOM 1011 O GLU A 65 -6.919 -2.049 -4.392 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.312 -3.498 -7.451 1.00 0.00 C ATOM 1013 CG GLU A 65 -8.293 -2.382 -7.637 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.403 -2.765 -8.554 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.215 -2.718 -9.785 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -10.487 -3.157 -8.049 1.00 0.00 O ATOM 0 H GLU A 65 -5.553 -5.083 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.762 -2.288 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.815 -3.691 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.857 -4.404 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.704 -2.095 -6.669 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.778 -1.508 -8.036 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.427 -4.242 -4.526 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.117 -4.258 -3.262 1.00 0.00 C ATOM 1025 C GLY A 66 -7.219 -3.961 -2.084 1.00 0.00 C ATOM 1026 O GLY A 66 -7.646 -3.329 -1.135 1.00 0.00 O ATOM 0 H GLY A 66 -7.380 -5.147 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -8.924 -3.526 -3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.578 -5.236 -3.121 1.00 0.00 H new ATOM 1030 N ILE A 67 -5.979 -4.386 -2.140 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.044 -4.095 -1.061 1.00 0.00 C ATOM 1032 C ILE A 67 -4.913 -2.592 -0.860 1.00 0.00 C ATOM 1033 O ILE A 67 -5.043 -2.112 0.257 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.666 -4.792 -1.268 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.854 -6.317 -1.146 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.628 -4.282 -0.262 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.609 -7.143 -1.401 1.00 0.00 C ATOM 0 H ILE A 67 -5.590 -4.930 -2.910 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.452 -4.517 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.289 -4.552 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.222 -6.543 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.628 -6.629 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.677 -4.787 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.496 -3.208 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.972 -4.488 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.846 -8.201 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.248 -6.955 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.836 -6.868 -0.683 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.778 -1.855 -1.959 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.695 -0.390 -1.918 1.00 0.00 C ATOM 1051 C VAL A 68 -5.967 0.199 -1.315 1.00 0.00 C ATOM 1052 O VAL A 68 -5.922 1.205 -0.591 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.482 0.191 -3.333 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.472 1.718 -3.341 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.218 -0.355 -3.938 1.00 0.00 C ATOM 0 H VAL A 68 -4.723 -2.248 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.841 -0.122 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.331 -0.121 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.319 2.076 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.425 2.090 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.665 2.080 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.082 0.064 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.368 -0.084 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.287 -1.441 -4.007 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.086 -0.451 -1.588 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.371 -0.031 -1.073 1.00 0.00 C ATOM 1067 C LYS A 69 -8.365 -0.019 0.441 1.00 0.00 C ATOM 1068 O LYS A 69 -8.897 0.890 1.042 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.454 -0.952 -1.535 1.00 0.00 C ATOM 1070 CG LYS A 69 -10.825 -0.367 -1.368 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.327 0.240 -2.657 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.556 1.496 -3.058 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.934 1.959 -4.407 1.00 0.00 N ATOM 0 H LYS A 69 -7.125 -1.285 -2.174 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.559 0.975 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.294 -1.196 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.392 -1.887 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.515 -1.143 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.804 0.395 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.251 -0.498 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.384 0.486 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.748 2.288 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.486 1.291 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.278 2.705 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.888 1.162 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.903 2.337 -4.385 1.00 0.00 H new ATOM 1087 N GLU A 70 -7.731 -1.010 1.043 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.642 -1.082 2.492 1.00 0.00 C ATOM 1089 C GLU A 70 -6.894 0.112 3.059 1.00 0.00 C ATOM 1090 O GLU A 70 -7.364 0.732 4.012 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.030 -2.399 2.954 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.933 -3.594 2.766 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.220 -3.516 3.572 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -10.140 -2.777 3.179 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.359 -4.236 4.567 1.00 0.00 O ATOM 0 H GLU A 70 -7.270 -1.776 0.552 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.659 -1.047 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.102 -2.568 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.769 -2.316 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.181 -3.689 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.391 -4.497 3.048 1.00 0.00 H new ATOM 1102 N ILE A 71 -5.748 0.466 2.445 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.006 1.650 2.868 1.00 0.00 C ATOM 1104 C ILE A 71 -5.882 2.901 2.671 1.00 0.00 C ATOM 1105 O ILE A 71 -5.901 3.819 3.511 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.648 1.857 2.090 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -2.661 0.711 2.263 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -2.962 3.131 2.504 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.862 -0.470 1.386 1.00 0.00 C ATOM 0 H ILE A 71 -5.329 -0.046 1.669 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.756 1.497 3.918 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.938 1.902 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.656 1.097 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.702 0.378 3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.031 3.240 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.612 3.980 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.745 3.097 3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.099 -1.218 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.849 -0.895 1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.786 -0.165 0.342 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.582 2.928 1.563 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.475 4.021 1.213 1.00 0.00 C ATOM 1123 C LYS A 72 -8.627 4.203 2.198 1.00 0.00 C ATOM 1124 O LYS A 72 -8.733 5.258 2.835 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.973 3.870 -0.249 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.336 4.478 -0.551 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.621 4.605 -2.018 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.757 5.642 -2.678 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.193 5.886 -4.054 1.00 0.00 N ATOM 0 H LYS A 72 -6.551 2.184 0.865 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.894 4.940 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.238 4.326 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.008 2.808 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.110 3.864 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.396 5.464 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.462 3.641 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.670 4.864 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.798 6.571 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.718 5.312 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.449 6.401 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.375 4.978 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.065 6.453 -4.047 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.423 3.172 2.362 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.619 3.230 3.183 1.00 0.00 C ATOM 1145 C GLU A 73 -10.286 3.485 4.637 1.00 0.00 C ATOM 1146 O GLU A 73 -10.979 4.242 5.311 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.429 1.942 3.050 1.00 0.00 C ATOM 1148 CG GLU A 73 -11.904 1.636 1.635 1.00 0.00 C ATOM 1149 CD GLU A 73 -12.810 2.696 1.060 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -13.986 2.790 1.486 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.382 3.447 0.171 1.00 0.00 O ATOM 0 H GLU A 73 -9.262 2.263 1.929 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.219 4.065 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.822 1.108 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.298 2.005 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.036 1.521 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.430 0.681 1.636 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.201 2.900 5.103 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.819 3.045 6.484 1.00 0.00 C ATOM 1160 C TRP A 74 -8.363 4.479 6.764 1.00 0.00 C ATOM 1161 O TRP A 74 -8.842 5.121 7.696 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.736 2.036 6.817 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.287 2.039 8.233 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.897 1.438 9.289 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.109 2.647 8.737 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.162 1.637 10.424 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.058 2.377 10.109 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.092 3.397 8.151 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.027 2.821 10.907 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.060 3.847 8.934 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.032 3.553 10.308 1.00 0.00 C ATOM 0 H TRP A 74 -8.573 2.322 4.544 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.678 2.848 7.125 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.101 1.039 6.570 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.874 2.227 6.178 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.824 0.886 9.239 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.399 1.290 11.353 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.116 3.621 7.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.002 2.602 11.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.265 4.430 8.493 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.208 3.912 10.907 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.495 5.004 5.919 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.987 6.361 6.098 1.00 0.00 C ATOM 1184 C ARG A 75 -8.063 7.405 5.919 1.00 0.00 C ATOM 1185 O ARG A 75 -8.062 8.419 6.615 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.800 6.623 5.206 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.480 6.190 5.820 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.465 5.822 4.773 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.259 6.866 3.759 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.720 6.845 2.483 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.633 5.947 2.100 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.318 7.767 1.620 1.00 0.00 N ATOM 0 H ARG A 75 -7.125 4.517 5.103 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.648 6.441 7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.942 6.099 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.754 7.688 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.086 6.996 6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.648 5.337 6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.514 5.608 5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.783 4.904 4.278 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.718 7.684 4.041 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.992 5.267 2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.971 5.942 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.663 8.491 1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.664 7.753 0.660 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.002 7.141 5.042 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.107 8.050 4.825 1.00 0.00 C ATOM 1208 C ALA A 76 -11.036 8.072 6.037 1.00 0.00 C ATOM 1209 O ALA A 76 -11.651 9.090 6.332 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.876 7.667 3.575 1.00 0.00 C ATOM 0 H ALA A 76 -9.025 6.301 4.464 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.700 9.052 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.703 8.362 3.429 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.211 7.707 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.267 6.656 3.684 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.091 6.958 6.759 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.962 6.829 7.915 1.00 0.00 C ATOM 1218 C ALA A 77 -11.272 7.424 9.108 1.00 0.00 C ATOM 1219 O ALA A 77 -11.894 7.924 10.038 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.311 5.370 8.166 1.00 0.00 C ATOM 0 H ALA A 77 -10.536 6.126 6.559 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.895 7.362 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.964 5.296 9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.822 4.963 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.398 4.804 8.349 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.961 7.338 9.080 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.131 7.879 10.111 1.00 0.00 C ATOM 1228 C ASN A 78 -9.045 9.382 10.029 1.00 0.00 C ATOM 1229 O ASN A 78 -8.935 10.057 11.046 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.719 7.297 10.064 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.550 5.924 10.688 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.492 5.636 11.213 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.535 5.072 10.613 1.00 0.00 N ATOM 0 H ASN A 78 -9.443 6.883 8.328 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.600 7.601 11.055 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.403 7.243 9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.044 7.990 10.567 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.429 4.135 11.001 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.411 5.343 10.166 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.118 9.902 8.834 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.960 11.315 8.651 1.00 0.00 C ATOM 1242 C GLY A 79 -7.517 11.640 8.374 1.00 0.00 C ATOM 1243 O GLY A 79 -7.004 12.691 8.767 1.00 0.00 O ATOM 0 H GLY A 79 -9.285 9.371 7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.583 11.655 7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.296 11.845 9.542 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.869 10.725 7.713 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.495 10.831 7.356 1.00 0.00 C ATOM 1249 C LYS A 80 -5.367 11.323 5.933 1.00 0.00 C ATOM 1250 O LYS A 80 -6.387 11.544 5.248 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.848 9.467 7.507 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.573 9.076 8.950 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.086 7.651 9.044 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.532 7.315 10.424 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.508 7.421 11.525 1.00 0.00 N ATOM 0 H LYS A 80 -7.303 9.857 7.400 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.994 11.546 8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.495 8.716 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.910 9.457 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.827 9.747 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.481 9.193 9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.907 6.973 8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.312 7.484 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.137 6.299 10.404 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.694 7.979 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.021 7.292 12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.956 8.359 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.236 6.687 11.415 1.00 0.00 H new ATOM 1269 N SER A 81 -4.144 11.489 5.495 1.00 0.00 N ATOM 1270 CA SER A 81 -3.839 11.906 4.181 1.00 0.00 C ATOM 1271 C SER A 81 -4.336 10.854 3.184 1.00 0.00 C ATOM 1272 O SER A 81 -4.357 9.665 3.496 1.00 0.00 O ATOM 1273 CB SER A 81 -2.338 12.051 4.100 1.00 0.00 C ATOM 1274 OG SER A 81 -1.858 12.897 5.142 1.00 0.00 O ATOM 0 H SER A 81 -3.320 11.328 6.074 1.00 0.00 H new ATOM 0 HA SER A 81 -4.323 12.852 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.868 11.070 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.059 12.465 3.131 1.00 0.00 H new ATOM 0 HG SER A 81 -0.884 12.978 5.075 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.744 11.292 2.026 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.249 10.395 1.022 1.00 0.00 C ATOM 1282 C GLY A 82 -4.284 10.276 -0.120 1.00 0.00 C ATOM 1283 O GLY A 82 -3.094 10.531 0.056 1.00 0.00 O ATOM 0 H GLY A 82 -4.737 12.274 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.423 9.412 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.210 10.756 0.656 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.759 9.839 -1.263 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.935 9.750 -2.425 1.00 0.00 C ATOM 1289 C PHE A 83 -4.067 11.004 -3.287 1.00 0.00 C ATOM 1290 O PHE A 83 -4.892 11.892 -3.004 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.259 8.492 -3.242 1.00 0.00 C ATOM 1292 CG PHE A 83 -4.012 7.202 -2.514 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.755 6.914 -2.021 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.022 6.269 -2.339 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.509 5.735 -1.368 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.773 5.082 -1.684 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.516 4.816 -1.198 1.00 0.00 C ATOM 0 H PHE A 83 -5.724 9.539 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.900 9.675 -2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.305 8.530 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.662 8.501 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.955 7.628 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.012 6.474 -2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.520 5.527 -0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.566 4.361 -1.553 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.320 3.887 -0.684 1.00 0.00 H new ATOM 1307 N LYS A 84 -3.244 11.077 -4.298 1.00 0.00 N ATOM 1308 CA LYS A 84 -3.213 12.173 -5.242 1.00 0.00 C ATOM 1309 C LYS A 84 -4.330 12.014 -6.261 1.00 0.00 C ATOM 1310 O LYS A 84 -4.760 10.894 -6.557 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.858 12.159 -5.952 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.627 13.256 -6.990 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.217 13.168 -7.571 1.00 0.00 C ATOM 1314 CE LYS A 84 0.011 11.856 -8.309 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.428 11.630 -8.670 1.00 0.00 N ATOM 0 H LYS A 84 -2.552 10.354 -4.498 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.354 13.119 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.075 12.232 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.739 11.193 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.361 13.165 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.775 14.234 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.053 14.002 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.514 13.265 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.335 11.031 -7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.594 11.846 -9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.485 10.905 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.843 12.517 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.953 11.309 -7.832 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.799 13.114 -6.774 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.790 13.142 -7.760 1.00 0.00 C ATOM 1331 C GLN A 85 -5.128 13.226 -9.119 1.00 0.00 C ATOM 1332 O GLN A 85 -4.514 14.238 -9.459 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.702 14.333 -7.518 1.00 0.00 C ATOM 1334 CG GLN A 85 -7.767 14.111 -6.443 1.00 0.00 C ATOM 1335 CD GLN A 85 -7.236 13.957 -5.018 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.201 14.688 -4.666 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.809 13.217 -4.219 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.477 14.040 -6.493 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.394 12.235 -7.723 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.091 15.190 -7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.197 14.591 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.462 14.950 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.337 13.218 -6.699 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.609 12.662 -4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.484 13.159 -3.254 1.00 0.00 H new ATOM 1346 N GLY A 86 -5.229 12.170 -9.866 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.596 12.088 -11.141 1.00 0.00 C ATOM 1348 C GLY A 86 -5.428 11.274 -12.067 1.00 0.00 C ATOM 1349 O GLY A 86 -6.670 11.333 -11.951 1.00 0.00 O ATOM 1350 OXT GLY A 86 -4.874 10.500 -12.870 1.00 0.00 O ATOM 0 H GLY A 86 -5.757 11.337 -9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.453 13.088 -11.551 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.607 11.641 -11.038 1.00 0.00 H new