USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 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 34 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0) USER MOD Set 1.2: A 35 ASN : amide:sc= 0.577 K(o=1.8,f=-4.5) USER MOD Single : A 4 TYR OH : rot -26:sc= 1.23 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 7 THR OG1 : rot 144:sc= 0.316 USER MOD Single : A 15 SER OG : rot -83:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.457 K(o=0.46,f=-1.8) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-4.9!) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 1.15 (180deg=0.737) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0.452) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -90:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= 1.18 (180deg=-0.112) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 9.354 -1.190 1.431 1.00 0.00 N ATOM 48 CA ASP A 3 8.737 -0.298 0.449 1.00 0.00 C ATOM 49 C ASP A 3 7.238 -0.350 0.795 1.00 0.00 C ATOM 50 O ASP A 3 6.868 -0.662 1.935 1.00 0.00 O ATOM 51 CB ASP A 3 9.139 -0.720 -0.990 1.00 0.00 C ATOM 52 CG ASP A 3 8.269 -0.211 -2.147 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.866 0.975 -2.217 1.00 0.00 O ATOM 54 OD2 ASP A 3 7.826 -1.085 -2.913 1.00 0.00 O ATOM 0 HA ASP A 3 9.069 0.740 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.161 -0.385 -1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.149 -1.809 -1.031 1.00 0.00 H new ATOM 59 N TYR A 4 6.365 -0.012 -0.143 1.00 0.00 N ATOM 60 CA TYR A 4 4.931 -0.072 -0.065 1.00 0.00 C ATOM 61 C TYR A 4 4.363 -0.920 -1.208 1.00 0.00 C ATOM 62 O TYR A 4 3.361 -1.593 -0.978 1.00 0.00 O ATOM 63 CB TYR A 4 4.422 1.374 -0.042 1.00 0.00 C ATOM 64 CG TYR A 4 4.970 2.150 1.145 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.648 1.731 2.449 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.870 3.220 0.969 1.00 0.00 C ATOM 67 CE1 TYR A 4 5.167 2.391 3.567 1.00 0.00 C ATOM 68 CE2 TYR A 4 6.411 3.880 2.089 1.00 0.00 C ATOM 69 CZ TYR A 4 6.054 3.474 3.396 1.00 0.00 C ATOM 70 OH TYR A 4 6.613 4.065 4.488 1.00 0.00 O ATOM 0 H TYR A 4 6.678 0.339 -1.048 1.00 0.00 H new ATOM 0 HA TYR A 4 4.590 -0.571 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.709 1.875 -0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.333 1.375 -0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.990 0.886 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.145 3.534 -0.027 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.889 2.072 4.561 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.101 4.699 1.950 1.00 0.00 H new ATOM 0 HH TYR A 4 6.027 3.940 5.264 1.00 0.00 H new ATOM 80 N TYR A 5 4.980 -0.969 -2.405 1.00 0.00 N ATOM 81 CA TYR A 5 4.482 -1.798 -3.495 1.00 0.00 C ATOM 82 C TYR A 5 4.590 -3.245 -3.017 1.00 0.00 C ATOM 83 O TYR A 5 3.630 -4.003 -3.114 1.00 0.00 O ATOM 84 CB TYR A 5 5.386 -1.703 -4.727 1.00 0.00 C ATOM 85 CG TYR A 5 5.395 -0.469 -5.594 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.440 0.561 -5.497 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.405 -0.402 -6.563 1.00 0.00 C ATOM 88 CE1 TYR A 5 4.500 1.655 -6.387 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.467 0.672 -7.452 1.00 0.00 C ATOM 90 CZ TYR A 5 5.526 1.715 -7.360 1.00 0.00 C ATOM 91 OH TYR A 5 5.620 2.754 -8.227 1.00 0.00 O ATOM 0 H TYR A 5 5.823 -0.441 -2.631 1.00 0.00 H new ATOM 0 HA TYR A 5 3.472 -1.480 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.409 -1.859 -4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.134 -2.544 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.666 0.514 -4.746 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.142 -1.189 -6.622 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.765 2.444 -6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.236 0.703 -8.210 1.00 0.00 H new ATOM 0 HH TYR A 5 6.389 2.618 -8.819 1.00 0.00 H new ATOM 101 N GLN A 6 5.764 -3.610 -2.490 1.00 0.00 N ATOM 102 CA GLN A 6 6.087 -4.968 -2.076 1.00 0.00 C ATOM 103 C GLN A 6 5.222 -5.389 -0.885 1.00 0.00 C ATOM 104 O GLN A 6 4.834 -6.553 -0.785 1.00 0.00 O ATOM 105 CB GLN A 6 7.590 -5.057 -1.765 1.00 0.00 C ATOM 106 CG GLN A 6 8.322 -5.968 -2.759 1.00 0.00 C ATOM 107 CD GLN A 6 9.838 -5.875 -2.601 1.00 0.00 C ATOM 108 OE1 GLN A 6 10.424 -4.798 -2.711 1.00 0.00 O ATOM 109 NE2 GLN A 6 10.518 -6.984 -2.367 1.00 0.00 N ATOM 0 H GLN A 6 6.528 -2.951 -2.339 1.00 0.00 H new ATOM 0 HA GLN A 6 5.865 -5.665 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.028 -4.059 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.730 -5.436 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.003 -7.000 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.045 -5.693 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 6 10.027 -7.874 -2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 6 11.533 -6.950 -2.277 1.00 0.00 H new ATOM 118 N THR A 7 4.847 -4.447 -0.022 1.00 0.00 N ATOM 119 CA THR A 7 3.930 -4.653 1.098 1.00 0.00 C ATOM 120 C THR A 7 2.514 -4.972 0.589 1.00 0.00 C ATOM 121 O THR A 7 1.691 -5.528 1.316 1.00 0.00 O ATOM 122 CB THR A 7 3.948 -3.374 1.953 1.00 0.00 C ATOM 123 OG1 THR A 7 5.293 -2.952 2.093 1.00 0.00 O ATOM 124 CG2 THR A 7 3.383 -3.584 3.359 1.00 0.00 C ATOM 0 H THR A 7 5.184 -3.487 -0.085 1.00 0.00 H new ATOM 0 HA THR A 7 4.244 -5.505 1.701 1.00 0.00 H new ATOM 0 HB THR A 7 3.324 -2.638 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.331 -1.973 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.424 -2.645 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.348 -3.919 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.974 -4.337 3.880 1.00 0.00 H new ATOM 132 N LEU A 8 2.237 -4.669 -0.682 1.00 0.00 N ATOM 133 CA LEU A 8 1.011 -4.976 -1.404 1.00 0.00 C ATOM 134 C LEU A 8 1.283 -5.987 -2.540 1.00 0.00 C ATOM 135 O LEU A 8 0.438 -6.183 -3.415 1.00 0.00 O ATOM 136 CB LEU A 8 0.379 -3.644 -1.865 1.00 0.00 C ATOM 137 CG LEU A 8 -1.143 -3.726 -2.071 1.00 0.00 C ATOM 138 CD1 LEU A 8 -1.876 -3.792 -0.726 1.00 0.00 C ATOM 139 CD2 LEU A 8 -1.669 -2.510 -2.829 1.00 0.00 C ATOM 0 H LEU A 8 2.909 -4.171 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 8 0.285 -5.475 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.597 -2.873 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.848 -3.332 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.330 -4.631 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.951 -3.849 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.550 -4.675 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.650 -2.899 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.748 -2.600 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.445 -1.605 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.190 -2.456 -3.807 1.00 0.00 H new ATOM 151 N GLY A 9 2.447 -6.648 -2.529 1.00 0.00 N ATOM 152 CA GLY A 9 2.791 -7.780 -3.381 1.00 0.00 C ATOM 153 C GLY A 9 3.442 -7.418 -4.716 1.00 0.00 C ATOM 154 O GLY A 9 3.809 -8.327 -5.467 1.00 0.00 O ATOM 0 H GLY A 9 3.205 -6.393 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.467 -8.435 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.885 -8.352 -3.581 1.00 0.00 H new ATOM 158 N LEU A 10 3.587 -6.136 -5.047 1.00 0.00 N ATOM 159 CA LEU A 10 3.987 -5.673 -6.378 1.00 0.00 C ATOM 160 C LEU A 10 5.443 -5.196 -6.367 1.00 0.00 C ATOM 161 O LEU A 10 6.035 -5.020 -5.306 1.00 0.00 O ATOM 162 CB LEU A 10 3.082 -4.514 -6.812 1.00 0.00 C ATOM 163 CG LEU A 10 1.569 -4.821 -6.782 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.887 -3.903 -5.765 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.932 -4.634 -8.156 1.00 0.00 C ATOM 0 H LEU A 10 3.427 -5.375 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 10 3.891 -6.503 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.277 -3.659 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.357 -4.217 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 10 1.437 -5.864 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.182 -4.117 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.314 -4.074 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.043 -2.863 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.133 -4.859 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.068 -3.603 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.406 -5.307 -8.871 1.00 0.00 H new ATOM 177 N ALA A 11 5.996 -4.895 -7.540 1.00 0.00 N ATOM 178 CA ALA A 11 7.222 -4.121 -7.720 1.00 0.00 C ATOM 179 C ALA A 11 7.119 -3.400 -9.055 1.00 0.00 C ATOM 180 O ALA A 11 6.475 -3.930 -9.954 1.00 0.00 O ATOM 181 CB ALA A 11 8.432 -5.042 -7.757 1.00 0.00 C ATOM 0 H ALA A 11 5.587 -5.195 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 11 7.340 -3.420 -6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.337 -4.449 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.497 -5.595 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.331 -5.743 -8.586 1.00 0.00 H new ATOM 187 N ARG A 12 7.773 -2.239 -9.205 1.00 0.00 N ATOM 188 CA ARG A 12 8.123 -1.578 -10.476 1.00 0.00 C ATOM 189 C ARG A 12 7.090 -1.792 -11.595 1.00 0.00 C ATOM 190 O ARG A 12 7.414 -2.192 -12.717 1.00 0.00 O ATOM 191 CB ARG A 12 9.551 -1.981 -10.889 1.00 0.00 C ATOM 192 CG ARG A 12 9.663 -3.458 -11.313 1.00 0.00 C ATOM 193 CD ARG A 12 10.665 -4.285 -10.502 1.00 0.00 C ATOM 194 NE ARG A 12 11.981 -4.349 -11.161 1.00 0.00 N ATOM 195 CZ ARG A 12 12.274 -4.977 -12.309 1.00 0.00 C ATOM 196 NH1 ARG A 12 11.387 -5.738 -12.943 1.00 0.00 N ATOM 197 NH2 ARG A 12 13.478 -4.813 -12.837 1.00 0.00 N ATOM 0 H ARG A 12 8.091 -1.703 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 12 8.100 -0.502 -10.306 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.877 -1.347 -11.713 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.230 -1.796 -10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.680 -3.921 -11.230 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.946 -3.499 -12.365 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.776 -3.849 -9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.277 -5.295 -10.366 1.00 0.00 H new ATOM 0 HE ARG A 12 12.749 -3.865 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.450 -5.858 -12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.643 -6.201 -13.815 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.163 -4.218 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.720 -5.282 -13.710 1.00 0.00 H new ATOM 211 N GLY A 13 5.839 -1.486 -11.306 1.00 0.00 N ATOM 212 CA GLY A 13 4.718 -1.853 -12.169 1.00 0.00 C ATOM 213 C GLY A 13 3.382 -1.638 -11.481 1.00 0.00 C ATOM 214 O GLY A 13 2.359 -1.467 -12.144 1.00 0.00 O ATOM 0 H GLY A 13 5.565 -0.975 -10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.755 -1.262 -13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.812 -2.899 -12.462 1.00 0.00 H new ATOM 218 N ALA A 14 3.411 -1.568 -10.148 1.00 0.00 N ATOM 219 CA ALA A 14 2.386 -0.964 -9.329 1.00 0.00 C ATOM 220 C ALA A 14 2.099 0.430 -9.879 1.00 0.00 C ATOM 221 O ALA A 14 2.865 1.378 -9.706 1.00 0.00 O ATOM 222 CB ALA A 14 2.871 -0.928 -7.887 1.00 0.00 C ATOM 0 H ALA A 14 4.183 -1.948 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 14 1.459 -1.537 -9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.106 -0.474 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.068 -1.944 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.787 -0.341 -7.826 1.00 0.00 H new ATOM 228 N SER A 15 0.995 0.497 -10.597 1.00 0.00 N ATOM 229 CA SER A 15 0.420 1.609 -11.314 1.00 0.00 C ATOM 230 C SER A 15 -1.045 1.640 -10.884 1.00 0.00 C ATOM 231 O SER A 15 -1.568 0.617 -10.446 1.00 0.00 O ATOM 232 CB SER A 15 0.690 1.395 -12.811 1.00 0.00 C ATOM 233 OG SER A 15 0.467 0.052 -13.202 1.00 0.00 O ATOM 0 H SER A 15 0.411 -0.333 -10.701 1.00 0.00 H new ATOM 0 HA SER A 15 0.844 2.590 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.046 2.054 -13.394 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.719 1.673 -13.037 1.00 0.00 H new ATOM 0 HG SER A 15 1.261 -0.484 -12.998 1.00 0.00 H new ATOM 239 N ASP A 16 -1.705 2.791 -10.973 1.00 0.00 N ATOM 240 CA ASP A 16 -2.912 3.088 -10.198 1.00 0.00 C ATOM 241 C ASP A 16 -4.026 2.035 -10.230 1.00 0.00 C ATOM 242 O ASP A 16 -4.660 1.765 -9.207 1.00 0.00 O ATOM 243 CB ASP A 16 -3.465 4.460 -10.585 1.00 0.00 C ATOM 244 CG ASP A 16 -3.996 5.143 -9.334 1.00 0.00 C ATOM 245 OD1 ASP A 16 -5.068 4.756 -8.824 1.00 0.00 O ATOM 246 OD2 ASP A 16 -3.302 6.054 -8.831 1.00 0.00 O ATOM 0 H ASP A 16 -1.417 3.552 -11.589 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.571 3.078 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.684 5.066 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.260 4.352 -11.323 1.00 0.00 H new ATOM 251 N GLU A 17 -4.267 1.405 -11.381 1.00 0.00 N ATOM 252 CA GLU A 17 -5.294 0.375 -11.501 1.00 0.00 C ATOM 253 C GLU A 17 -4.858 -0.922 -10.821 1.00 0.00 C ATOM 254 O GLU A 17 -5.685 -1.581 -10.189 1.00 0.00 O ATOM 255 CB GLU A 17 -5.623 0.138 -12.980 1.00 0.00 C ATOM 256 CG GLU A 17 -6.796 -0.842 -13.111 1.00 0.00 C ATOM 257 CD GLU A 17 -7.092 -1.202 -14.554 1.00 0.00 C ATOM 258 OE1 GLU A 17 -6.381 -2.074 -15.104 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.083 -0.671 -15.105 1.00 0.00 O ATOM 0 H GLU A 17 -3.761 1.593 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.194 0.721 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.874 1.084 -13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.749 -0.259 -13.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.571 -1.750 -12.552 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.685 -0.402 -12.660 1.00 0.00 H new ATOM 266 N GLU A 18 -3.586 -1.296 -10.947 1.00 0.00 N ATOM 267 CA GLU A 18 -3.033 -2.529 -10.416 1.00 0.00 C ATOM 268 C GLU A 18 -2.902 -2.367 -8.908 1.00 0.00 C ATOM 269 O GLU A 18 -3.209 -3.284 -8.152 1.00 0.00 O ATOM 270 CB GLU A 18 -1.656 -2.791 -11.060 1.00 0.00 C ATOM 271 CG GLU A 18 -1.549 -4.153 -11.759 1.00 0.00 C ATOM 272 CD GLU A 18 -2.024 -5.342 -10.924 1.00 0.00 C ATOM 273 OE1 GLU A 18 -3.220 -5.702 -11.032 1.00 0.00 O ATOM 274 OE2 GLU A 18 -1.201 -5.971 -10.229 1.00 0.00 O ATOM 0 H GLU A 18 -2.895 -0.728 -11.437 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.679 -3.378 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.448 -2.004 -11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.887 -2.727 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.130 -4.119 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.510 -4.319 -12.043 1.00 0.00 H new ATOM 281 N ILE A 19 -2.518 -1.157 -8.495 1.00 0.00 N ATOM 282 CA ILE A 19 -2.483 -0.698 -7.131 1.00 0.00 C ATOM 283 C ILE A 19 -3.871 -0.928 -6.538 1.00 0.00 C ATOM 284 O ILE A 19 -3.997 -1.748 -5.634 1.00 0.00 O ATOM 285 CB ILE A 19 -1.950 0.755 -7.079 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.409 0.690 -7.097 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.459 1.529 -5.859 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.287 2.045 -7.253 1.00 0.00 C ATOM 0 H ILE A 19 -2.208 -0.441 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.784 -1.255 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.322 1.303 -7.945 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.068 0.226 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.096 0.040 -7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.053 2.541 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.548 1.574 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.139 1.024 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.367 1.901 -7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.020 2.505 -8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.009 2.694 -6.423 1.00 0.00 H new ATOM 300 N LYS A 20 -4.916 -0.273 -7.057 1.00 0.00 N ATOM 301 CA LYS A 20 -6.258 -0.382 -6.490 1.00 0.00 C ATOM 302 C LYS A 20 -6.772 -1.818 -6.537 1.00 0.00 C ATOM 303 O LYS A 20 -7.348 -2.281 -5.552 1.00 0.00 O ATOM 304 CB LYS A 20 -7.201 0.590 -7.200 1.00 0.00 C ATOM 305 CG LYS A 20 -8.556 0.722 -6.480 1.00 0.00 C ATOM 306 CD LYS A 20 -9.500 1.660 -7.241 1.00 0.00 C ATOM 307 CE LYS A 20 -9.966 0.997 -8.544 1.00 0.00 C ATOM 308 NZ LYS A 20 -10.055 1.960 -9.657 1.00 0.00 N ATOM 0 H LYS A 20 -4.854 0.339 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.216 -0.107 -5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.729 1.570 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.367 0.250 -8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.016 -0.261 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.399 1.101 -5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.362 1.904 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.992 2.598 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.274 0.198 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.941 0.535 -8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.373 1.469 -10.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.735 2.709 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.120 2.383 -9.826 1.00 0.00 H new ATOM 322 N ARG A 21 -6.548 -2.542 -7.641 1.00 0.00 N ATOM 323 CA ARG A 21 -6.943 -3.944 -7.768 1.00 0.00 C ATOM 324 C ARG A 21 -6.390 -4.712 -6.577 1.00 0.00 C ATOM 325 O ARG A 21 -7.147 -5.348 -5.851 1.00 0.00 O ATOM 326 CB ARG A 21 -6.445 -4.524 -9.104 1.00 0.00 C ATOM 327 CG ARG A 21 -7.055 -5.908 -9.387 1.00 0.00 C ATOM 328 CD ARG A 21 -6.532 -6.589 -10.663 1.00 0.00 C ATOM 329 NE ARG A 21 -7.057 -5.986 -11.903 1.00 0.00 N ATOM 330 CZ ARG A 21 -6.490 -5.023 -12.639 1.00 0.00 C ATOM 331 NH1 ARG A 21 -5.309 -4.525 -12.310 1.00 0.00 N ATOM 332 NH2 ARG A 21 -7.134 -4.524 -13.690 1.00 0.00 N ATOM 0 H ARG A 21 -6.087 -2.168 -8.471 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.029 -4.032 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.700 -3.841 -9.915 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.358 -4.603 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.856 -6.559 -8.536 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.137 -5.805 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.443 -6.537 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.800 -7.645 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.952 -6.343 -12.237 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.819 -4.875 -11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.888 -3.791 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.060 -4.875 -13.935 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.702 -3.790 -14.251 1.00 0.00 H new ATOM 346 N ALA A 22 -5.080 -4.613 -6.370 1.00 0.00 N ATOM 347 CA ALA A 22 -4.394 -5.247 -5.259 1.00 0.00 C ATOM 348 C ALA A 22 -4.912 -4.758 -3.901 1.00 0.00 C ATOM 349 O ALA A 22 -5.125 -5.590 -3.020 1.00 0.00 O ATOM 350 CB ALA A 22 -2.885 -5.026 -5.388 1.00 0.00 C ATOM 0 H ALA A 22 -4.460 -4.081 -6.981 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.602 -6.316 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.375 -5.504 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.532 -5.460 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.672 -3.957 -5.380 1.00 0.00 H new ATOM 356 N TYR A 23 -5.108 -3.452 -3.689 1.00 0.00 N ATOM 357 CA TYR A 23 -5.482 -2.828 -2.433 1.00 0.00 C ATOM 358 C TYR A 23 -6.801 -3.405 -1.940 1.00 0.00 C ATOM 359 O TYR A 23 -6.834 -4.007 -0.862 1.00 0.00 O ATOM 360 CB TYR A 23 -5.352 -1.299 -2.668 1.00 0.00 C ATOM 361 CG TYR A 23 -6.422 -0.321 -2.247 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.670 -0.360 -2.898 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.096 0.791 -1.449 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.631 0.625 -2.680 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.045 1.803 -1.240 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.310 1.708 -1.855 1.00 0.00 C ATOM 367 OH TYR A 23 -9.253 2.668 -1.657 1.00 0.00 O ATOM 0 H TYR A 23 -5.001 -2.769 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.836 -3.044 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.431 -0.985 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.205 -1.159 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.887 -1.169 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.117 0.865 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.606 0.554 -3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.808 2.649 -0.612 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.896 3.360 -1.062 1.00 0.00 H new ATOM 377 N ARG A 24 -7.844 -3.407 -2.770 1.00 0.00 N ATOM 378 CA ARG A 24 -9.163 -3.898 -2.378 1.00 0.00 C ATOM 379 C ARG A 24 -9.239 -5.429 -2.344 1.00 0.00 C ATOM 380 O ARG A 24 -10.332 -5.998 -2.259 1.00 0.00 O ATOM 381 CB ARG A 24 -10.233 -3.252 -3.265 1.00 0.00 C ATOM 382 CG ARG A 24 -10.231 -3.759 -4.721 1.00 0.00 C ATOM 383 CD ARG A 24 -11.635 -4.141 -5.185 1.00 0.00 C ATOM 384 NE ARG A 24 -12.229 -5.184 -4.332 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.532 -5.456 -4.234 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.407 -4.914 -5.076 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.955 -6.268 -3.271 1.00 0.00 N ATOM 0 H ARG A 24 -7.798 -3.069 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.357 -3.597 -1.348 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.214 -3.439 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.085 -2.172 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.829 -2.986 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.572 -4.623 -4.805 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.273 -3.258 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.594 -4.494 -6.215 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.591 -5.746 -3.769 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.085 -4.281 -5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.400 -5.131 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.286 -6.676 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.948 -6.484 -3.185 1.00 0.00 H new ATOM 401 N ARG A 25 -8.096 -6.107 -2.463 1.00 0.00 N ATOM 402 CA ARG A 25 -7.934 -7.550 -2.383 1.00 0.00 C ATOM 403 C ARG A 25 -6.899 -7.929 -1.322 1.00 0.00 C ATOM 404 O ARG A 25 -6.780 -9.121 -1.027 1.00 0.00 O ATOM 405 CB ARG A 25 -7.536 -8.059 -3.780 1.00 0.00 C ATOM 406 CG ARG A 25 -8.309 -9.280 -4.273 1.00 0.00 C ATOM 407 CD ARG A 25 -9.811 -9.009 -4.467 1.00 0.00 C ATOM 408 NE ARG A 25 -10.402 -9.921 -5.463 1.00 0.00 N ATOM 409 CZ ARG A 25 -10.688 -11.219 -5.300 1.00 0.00 C ATOM 410 NH1 ARG A 25 -10.556 -11.810 -4.119 1.00 0.00 N ATOM 411 NH2 ARG A 25 -11.103 -11.936 -6.336 1.00 0.00 N ATOM 0 H ARG A 25 -7.209 -5.630 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.869 -8.020 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.673 -7.249 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.473 -8.301 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.882 -9.615 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.183 -10.094 -3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.328 -9.125 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.957 -7.977 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.616 -9.520 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.231 -11.274 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.779 -12.800 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.203 -11.498 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.322 -12.925 -6.217 1.00 0.00 H new ATOM 425 N GLN A 26 -6.178 -6.962 -0.735 1.00 0.00 N ATOM 426 CA GLN A 26 -5.231 -7.171 0.349 1.00 0.00 C ATOM 427 C GLN A 26 -5.724 -6.573 1.659 1.00 0.00 C ATOM 428 O GLN A 26 -5.622 -7.253 2.677 1.00 0.00 O ATOM 429 CB GLN A 26 -3.850 -6.633 -0.057 1.00 0.00 C ATOM 430 CG GLN A 26 -2.847 -7.800 -0.128 1.00 0.00 C ATOM 431 CD GLN A 26 -1.670 -7.561 -1.059 1.00 0.00 C ATOM 432 OE1 GLN A 26 -0.528 -7.823 -0.722 1.00 0.00 O ATOM 433 NE2 GLN A 26 -1.933 -7.139 -2.286 1.00 0.00 N ATOM 0 H GLN A 26 -6.247 -5.984 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.139 -8.242 0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.912 -6.133 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.510 -5.890 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.467 -7.998 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.374 -8.697 -0.452 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.893 -6.923 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.176 -7.030 -2.961 1.00 0.00 H new ATOM 442 N ALA A 27 -6.329 -5.379 1.661 1.00 0.00 N ATOM 443 CA ALA A 27 -7.034 -4.912 2.851 1.00 0.00 C ATOM 444 C ALA A 27 -8.147 -5.900 3.165 1.00 0.00 C ATOM 445 O ALA A 27 -8.124 -6.499 4.233 1.00 0.00 O ATOM 446 CB ALA A 27 -7.574 -3.499 2.681 1.00 0.00 C ATOM 0 H ALA A 27 -6.343 -4.735 0.870 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.335 -4.864 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.090 -3.195 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.748 -2.815 2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.271 -3.474 1.843 1.00 0.00 H new ATOM 452 N LEU A 28 -9.044 -6.166 2.208 1.00 0.00 N ATOM 453 CA LEU A 28 -10.133 -7.140 2.334 1.00 0.00 C ATOM 454 C LEU A 28 -9.654 -8.545 2.738 1.00 0.00 C ATOM 455 O LEU A 28 -10.470 -9.384 3.119 1.00 0.00 O ATOM 456 CB LEU A 28 -10.897 -7.200 0.995 1.00 0.00 C ATOM 457 CG LEU A 28 -12.300 -7.844 1.052 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.286 -7.022 1.887 1.00 0.00 C ATOM 459 CD2 LEU A 28 -12.848 -7.949 -0.376 1.00 0.00 C ATOM 0 H LEU A 28 -9.032 -5.698 1.302 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.785 -6.804 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.999 -6.185 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.292 -7.754 0.277 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.197 -8.823 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.257 -7.517 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.914 -6.935 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.390 -6.028 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.839 -8.402 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.914 -6.953 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.181 -8.566 -0.977 1.00 0.00 H new ATOM 471 N ARG A 29 -8.355 -8.847 2.642 1.00 0.00 N ATOM 472 CA ARG A 29 -7.785 -10.110 3.079 1.00 0.00 C ATOM 473 C ARG A 29 -7.662 -10.182 4.605 1.00 0.00 C ATOM 474 O ARG A 29 -7.735 -11.283 5.137 1.00 0.00 O ATOM 475 CB ARG A 29 -6.424 -10.293 2.389 1.00 0.00 C ATOM 476 CG ARG A 29 -6.042 -11.764 2.199 1.00 0.00 C ATOM 477 CD ARG A 29 -4.747 -11.918 1.383 1.00 0.00 C ATOM 478 NE ARG A 29 -4.886 -11.420 -0.001 1.00 0.00 N ATOM 479 CZ ARG A 29 -3.945 -11.434 -0.953 1.00 0.00 C ATOM 480 NH1 ARG A 29 -2.771 -12.024 -0.754 1.00 0.00 N ATOM 481 NH2 ARG A 29 -4.184 -10.834 -2.113 1.00 0.00 N ATOM 0 H ARG A 29 -7.665 -8.205 2.251 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.450 -10.925 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.447 -9.801 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.654 -9.797 2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.915 -12.235 3.174 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.854 -12.288 1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.942 -11.378 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.459 -12.969 1.360 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.791 -11.025 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.573 -12.478 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.068 -12.023 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.078 -10.368 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.474 -10.839 -2.845 1.00 0.00 H new ATOM 495 N TYR A 30 -7.503 -9.061 5.317 1.00 0.00 N ATOM 496 CA TYR A 30 -7.183 -9.042 6.748 1.00 0.00 C ATOM 497 C TYR A 30 -7.935 -7.966 7.546 1.00 0.00 C ATOM 498 O TYR A 30 -7.808 -7.938 8.766 1.00 0.00 O ATOM 499 CB TYR A 30 -5.665 -8.871 6.931 1.00 0.00 C ATOM 500 CG TYR A 30 -4.815 -9.852 6.144 1.00 0.00 C ATOM 501 CD1 TYR A 30 -4.865 -11.229 6.433 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.997 -9.389 5.097 1.00 0.00 C ATOM 503 CE1 TYR A 30 -4.109 -12.134 5.670 1.00 0.00 C ATOM 504 CE2 TYR A 30 -3.222 -10.286 4.341 1.00 0.00 C ATOM 505 CZ TYR A 30 -3.283 -11.669 4.623 1.00 0.00 C ATOM 506 OH TYR A 30 -2.552 -12.563 3.907 1.00 0.00 O ATOM 0 H TYR A 30 -7.594 -8.130 4.910 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.517 -9.998 7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.390 -7.858 6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.427 -8.973 7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.484 -11.589 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.964 -8.333 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.160 -13.191 5.885 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.584 -9.920 3.550 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.036 -12.089 3.222 1.00 0.00 H new ATOM 516 N HIS A 31 -8.712 -7.099 6.890 1.00 0.00 N ATOM 517 CA HIS A 31 -9.403 -5.948 7.473 1.00 0.00 C ATOM 518 C HIS A 31 -10.239 -6.377 8.691 1.00 0.00 C ATOM 519 O HIS A 31 -10.894 -7.426 8.631 1.00 0.00 O ATOM 520 CB HIS A 31 -10.332 -5.333 6.394 1.00 0.00 C ATOM 521 CG HIS A 31 -10.434 -3.825 6.304 1.00 0.00 C ATOM 522 ND1 HIS A 31 -9.586 -2.874 6.831 1.00 0.00 N ATOM 523 CD2 HIS A 31 -11.381 -3.152 5.579 1.00 0.00 C ATOM 524 CE1 HIS A 31 -10.060 -1.663 6.492 1.00 0.00 C ATOM 525 NE2 HIS A 31 -11.145 -1.780 5.710 1.00 0.00 N ATOM 0 H HIS A 31 -8.884 -7.186 5.888 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.668 -5.215 7.804 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.002 -5.702 5.423 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.336 -5.724 6.559 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.747 -3.057 7.381 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.175 -3.604 5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.627 -0.724 6.806 1.00 0.00 H new ATOM 533 N PRO A 32 -10.358 -5.535 9.733 1.00 0.00 N ATOM 534 CA PRO A 32 -11.315 -5.734 10.819 1.00 0.00 C ATOM 535 C PRO A 32 -12.765 -5.490 10.372 1.00 0.00 C ATOM 536 O PRO A 32 -13.689 -5.583 11.181 1.00 0.00 O ATOM 537 CB PRO A 32 -10.865 -4.795 11.941 1.00 0.00 C ATOM 538 CG PRO A 32 -10.217 -3.647 11.181 1.00 0.00 C ATOM 539 CD PRO A 32 -9.584 -4.327 9.974 1.00 0.00 C ATOM 0 HA PRO A 32 -11.321 -6.769 11.162 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.706 -4.456 12.546 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.161 -5.281 12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.952 -2.900 10.881 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.471 -3.134 11.789 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.605 -3.672 9.103 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.538 -4.567 10.167 1.00 0.00 H new ATOM 547 N ASP A 33 -12.997 -5.257 9.079 1.00 0.00 N ATOM 548 CA ASP A 33 -14.312 -5.251 8.452 1.00 0.00 C ATOM 549 C ASP A 33 -14.648 -6.716 8.133 1.00 0.00 C ATOM 550 O ASP A 33 -15.467 -7.306 8.842 1.00 0.00 O ATOM 551 CB ASP A 33 -14.338 -4.246 7.273 1.00 0.00 C ATOM 552 CG ASP A 33 -14.623 -4.835 5.890 1.00 0.00 C ATOM 553 OD1 ASP A 33 -13.671 -5.383 5.283 1.00 0.00 O ATOM 554 OD2 ASP A 33 -15.761 -4.709 5.399 1.00 0.00 O ATOM 0 H ASP A 33 -12.244 -5.061 8.419 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.110 -4.881 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.093 -3.489 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.376 -3.736 7.236 1.00 0.00 H new ATOM 559 N LYS A 34 -13.949 -7.351 7.193 1.00 0.00 N ATOM 560 CA LYS A 34 -14.323 -8.665 6.677 1.00 0.00 C ATOM 561 C LYS A 34 -13.802 -9.782 7.573 1.00 0.00 C ATOM 562 O LYS A 34 -14.486 -10.794 7.700 1.00 0.00 O ATOM 563 CB LYS A 34 -13.789 -8.796 5.230 1.00 0.00 C ATOM 564 CG LYS A 34 -13.781 -10.194 4.561 1.00 0.00 C ATOM 565 CD LYS A 34 -12.650 -11.164 4.958 1.00 0.00 C ATOM 566 CE LYS A 34 -12.682 -12.436 4.103 1.00 0.00 C ATOM 567 NZ LYS A 34 -11.603 -13.374 4.477 1.00 0.00 N ATOM 0 H LYS A 34 -13.105 -6.967 6.767 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.409 -8.760 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.379 -8.131 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.766 -8.420 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.733 -10.678 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.738 -10.051 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.686 -10.669 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.747 -11.428 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.648 -12.928 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.584 -12.170 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.857 -14.335 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.717 -13.087 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.474 -13.361 5.509 1.00 0.00 H new ATOM 581 N ASN A 35 -12.583 -9.667 8.121 1.00 0.00 N ATOM 582 CA ASN A 35 -11.835 -10.837 8.593 1.00 0.00 C ATOM 583 C ASN A 35 -11.718 -10.864 10.103 1.00 0.00 C ATOM 584 O ASN A 35 -11.908 -11.921 10.695 1.00 0.00 O ATOM 585 CB ASN A 35 -10.433 -10.893 7.953 1.00 0.00 C ATOM 586 CG ASN A 35 -10.017 -12.309 7.563 1.00 0.00 C ATOM 587 OD1 ASN A 35 -10.829 -13.111 7.112 1.00 0.00 O ATOM 588 ND2 ASN A 35 -8.735 -12.604 7.623 1.00 0.00 N ATOM 0 H ASN A 35 -12.098 -8.779 8.247 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.399 -11.717 8.285 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.417 -10.258 7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.703 -10.484 8.652 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.404 -13.510 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.073 -11.926 8.001 1.00 0.00 H new ATOM 595 N LYS A 36 -11.398 -9.714 10.712 1.00 0.00 N ATOM 596 CA LYS A 36 -11.196 -9.549 12.151 1.00 0.00 C ATOM 597 C LYS A 36 -10.162 -10.543 12.713 1.00 0.00 C ATOM 598 O LYS A 36 -10.231 -10.904 13.887 1.00 0.00 O ATOM 599 CB LYS A 36 -12.553 -9.615 12.860 1.00 0.00 C ATOM 600 CG LYS A 36 -13.500 -8.455 12.530 1.00 0.00 C ATOM 601 CD LYS A 36 -14.906 -8.750 13.075 1.00 0.00 C ATOM 602 CE LYS A 36 -15.893 -7.583 12.914 1.00 0.00 C ATOM 603 NZ LYS A 36 -15.984 -7.078 11.525 1.00 0.00 N ATOM 0 H LYS A 36 -11.269 -8.845 10.194 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.764 -8.567 12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.042 -10.553 12.596 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.385 -9.636 13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.120 -7.530 12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.543 -8.306 11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.307 -9.625 12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.829 -9.005 14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.882 -7.905 13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.590 -6.767 13.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.943 -6.716 11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.294 -6.312 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.779 -7.851 10.860 1.00 0.00 H new ATOM 617 N GLU A 37 -9.273 -11.071 11.867 1.00 0.00 N ATOM 618 CA GLU A 37 -8.539 -12.280 12.159 1.00 0.00 C ATOM 619 C GLU A 37 -7.504 -12.021 13.269 1.00 0.00 C ATOM 620 O GLU A 37 -6.732 -11.065 13.157 1.00 0.00 O ATOM 621 CB GLU A 37 -7.918 -12.807 10.860 1.00 0.00 C ATOM 622 CG GLU A 37 -7.117 -14.087 11.108 1.00 0.00 C ATOM 623 CD GLU A 37 -6.270 -14.556 9.925 1.00 0.00 C ATOM 624 OE1 GLU A 37 -6.735 -14.517 8.764 1.00 0.00 O ATOM 625 OE2 GLU A 37 -5.161 -15.085 10.182 1.00 0.00 O ATOM 0 H GLU A 37 -9.050 -10.661 10.960 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.204 -13.053 12.543 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.705 -13.003 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.267 -12.046 10.430 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.462 -13.928 11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.809 -14.884 11.379 1.00 0.00 H new ATOM 632 N PRO A 38 -7.434 -12.861 14.319 1.00 0.00 N ATOM 633 CA PRO A 38 -6.430 -12.722 15.363 1.00 0.00 C ATOM 634 C PRO A 38 -5.030 -13.011 14.803 1.00 0.00 C ATOM 635 O PRO A 38 -4.828 -13.924 13.989 1.00 0.00 O ATOM 636 CB PRO A 38 -6.849 -13.694 16.468 1.00 0.00 C ATOM 637 CG PRO A 38 -7.608 -14.784 15.716 1.00 0.00 C ATOM 638 CD PRO A 38 -8.288 -14.010 14.587 1.00 0.00 C ATOM 0 HA PRO A 38 -6.373 -11.709 15.760 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.985 -14.098 16.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.479 -13.207 17.213 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.937 -15.552 15.332 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.334 -15.286 16.356 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.397 -14.631 13.698 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.289 -13.693 14.879 1.00 0.00 H new ATOM 646 N GLY A 39 -4.049 -12.229 15.245 1.00 0.00 N ATOM 647 CA GLY A 39 -2.685 -12.278 14.751 1.00 0.00 C ATOM 648 C GLY A 39 -2.543 -11.670 13.356 1.00 0.00 C ATOM 649 O GLY A 39 -1.473 -11.812 12.761 1.00 0.00 O ATOM 0 H GLY A 39 -4.188 -11.529 15.974 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.032 -11.746 15.443 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.348 -13.314 14.728 1.00 0.00 H new ATOM 653 N ALA A 40 -3.583 -11.036 12.799 1.00 0.00 N ATOM 654 CA ALA A 40 -3.545 -10.455 11.467 1.00 0.00 C ATOM 655 C ALA A 40 -3.960 -8.984 11.434 1.00 0.00 C ATOM 656 O ALA A 40 -3.857 -8.375 10.371 1.00 0.00 O ATOM 657 CB ALA A 40 -4.394 -11.284 10.505 1.00 0.00 C ATOM 0 H ALA A 40 -4.479 -10.915 13.271 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.504 -10.479 11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.357 -10.838 9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.006 -12.301 10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.426 -11.304 10.856 1.00 0.00 H new ATOM 663 N GLU A 41 -4.371 -8.372 12.545 1.00 0.00 N ATOM 664 CA GLU A 41 -4.644 -6.938 12.560 1.00 0.00 C ATOM 665 C GLU A 41 -3.328 -6.165 12.407 1.00 0.00 C ATOM 666 O GLU A 41 -3.283 -5.134 11.743 1.00 0.00 O ATOM 667 CB GLU A 41 -5.412 -6.561 13.837 1.00 0.00 C ATOM 668 CG GLU A 41 -5.838 -5.083 13.902 1.00 0.00 C ATOM 669 CD GLU A 41 -6.767 -4.621 12.768 1.00 0.00 C ATOM 670 OE1 GLU A 41 -7.412 -5.474 12.122 1.00 0.00 O ATOM 671 OE2 GLU A 41 -6.840 -3.384 12.554 1.00 0.00 O ATOM 0 H GLU A 41 -4.521 -8.843 13.437 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.281 -6.666 11.718 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.301 -7.188 13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.789 -6.787 14.703 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.338 -4.907 14.855 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.942 -4.462 13.892 1.00 0.00 H new ATOM 678 N GLU A 42 -2.222 -6.676 12.950 1.00 0.00 N ATOM 679 CA GLU A 42 -0.891 -6.103 12.762 1.00 0.00 C ATOM 680 C GLU A 42 -0.404 -6.316 11.327 1.00 0.00 C ATOM 681 O GLU A 42 0.361 -5.505 10.803 1.00 0.00 O ATOM 682 CB GLU A 42 0.083 -6.714 13.777 1.00 0.00 C ATOM 683 CG GLU A 42 1.298 -5.828 14.098 1.00 0.00 C ATOM 684 CD GLU A 42 0.935 -4.577 14.902 1.00 0.00 C ATOM 685 OE1 GLU A 42 0.143 -4.665 15.870 1.00 0.00 O ATOM 686 OE2 GLU A 42 1.460 -3.486 14.594 1.00 0.00 O ATOM 0 H GLU A 42 -2.227 -7.509 13.539 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.940 -5.028 12.932 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.456 -6.921 14.702 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.437 -7.671 13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.028 -6.413 14.657 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.777 -5.527 13.166 1.00 0.00 H new ATOM 693 N LYS A 43 -0.849 -7.395 10.675 1.00 0.00 N ATOM 694 CA LYS A 43 -0.643 -7.653 9.266 1.00 0.00 C ATOM 695 C LYS A 43 -1.354 -6.572 8.462 1.00 0.00 C ATOM 696 O LYS A 43 -0.757 -5.937 7.596 1.00 0.00 O ATOM 697 CB LYS A 43 -1.167 -9.050 8.902 1.00 0.00 C ATOM 698 CG LYS A 43 -0.413 -9.682 7.730 1.00 0.00 C ATOM 699 CD LYS A 43 -1.166 -10.899 7.173 1.00 0.00 C ATOM 700 CE LYS A 43 -1.363 -12.046 8.171 1.00 0.00 C ATOM 701 NZ LYS A 43 -0.134 -12.836 8.368 1.00 0.00 N ATOM 0 H LYS A 43 -1.380 -8.132 11.140 1.00 0.00 H new ATOM 0 HA LYS A 43 0.421 -7.629 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.087 -9.701 9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.226 -8.982 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.278 -8.943 6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.582 -9.985 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.144 -10.573 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.624 -11.279 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.688 -11.639 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.159 -12.700 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.317 -13.599 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.163 -13.248 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.620 -12.220 8.732 1.00 0.00 H new ATOM 715 N PHE A 44 -2.633 -6.357 8.778 1.00 0.00 N ATOM 716 CA PHE A 44 -3.451 -5.322 8.174 1.00 0.00 C ATOM 717 C PHE A 44 -2.803 -3.952 8.346 1.00 0.00 C ATOM 718 O PHE A 44 -2.686 -3.227 7.369 1.00 0.00 O ATOM 719 CB PHE A 44 -4.881 -5.323 8.734 1.00 0.00 C ATOM 720 CG PHE A 44 -5.699 -4.191 8.143 1.00 0.00 C ATOM 721 CD1 PHE A 44 -5.885 -4.122 6.749 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.091 -3.109 8.956 1.00 0.00 C ATOM 723 CE1 PHE A 44 -6.379 -2.945 6.166 1.00 0.00 C ATOM 724 CE2 PHE A 44 -6.601 -1.937 8.369 1.00 0.00 C ATOM 725 CZ PHE A 44 -6.712 -1.846 6.971 1.00 0.00 C ATOM 0 H PHE A 44 -3.131 -6.911 9.474 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.520 -5.542 7.109 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.361 -6.276 8.513 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.850 -5.226 9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.648 -4.974 6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.000 -3.180 10.030 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.503 -2.885 5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.907 -1.109 8.991 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.054 -0.928 6.516 1.00 0.00 H new ATOM 735 N LYS A 45 -2.350 -3.602 9.551 1.00 0.00 N ATOM 736 CA LYS A 45 -1.658 -2.333 9.830 1.00 0.00 C ATOM 737 C LYS A 45 -0.455 -2.130 8.912 1.00 0.00 C ATOM 738 O LYS A 45 -0.180 -0.995 8.521 1.00 0.00 O ATOM 739 CB LYS A 45 -1.175 -2.296 11.285 1.00 0.00 C ATOM 740 CG LYS A 45 -2.292 -2.050 12.313 1.00 0.00 C ATOM 741 CD LYS A 45 -1.960 -2.733 13.649 1.00 0.00 C ATOM 742 CE LYS A 45 -2.180 -1.877 14.891 1.00 0.00 C ATOM 743 NZ LYS A 45 -1.759 -2.628 16.089 1.00 0.00 N ATOM 0 H LYS A 45 -2.452 -4.196 10.374 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.376 -1.533 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.684 -3.241 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.424 -1.513 11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.421 -0.979 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.238 -2.432 11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.566 -3.635 13.738 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.917 -3.050 13.627 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.612 -0.950 14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.231 -1.600 14.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.225 -2.000 16.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.599 -2.988 16.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.156 -3.426 15.804 1.00 0.00 H new ATOM 757 N GLU A 46 0.226 -3.212 8.538 1.00 0.00 N ATOM 758 CA GLU A 46 1.424 -3.161 7.713 1.00 0.00 C ATOM 759 C GLU A 46 0.998 -2.830 6.280 1.00 0.00 C ATOM 760 O GLU A 46 1.556 -1.924 5.661 1.00 0.00 O ATOM 761 CB GLU A 46 2.156 -4.508 7.815 1.00 0.00 C ATOM 762 CG GLU A 46 3.617 -4.402 8.265 1.00 0.00 C ATOM 763 CD GLU A 46 4.609 -4.328 7.107 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.963 -5.404 6.565 1.00 0.00 O ATOM 765 OE2 GLU A 46 5.123 -3.225 6.817 1.00 0.00 O ATOM 0 H GLU A 46 -0.045 -4.159 8.805 1.00 0.00 H new ATOM 0 HA GLU A 46 2.117 -2.390 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.618 -5.148 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.123 -5.000 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.733 -3.516 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.860 -5.264 8.887 1.00 0.00 H new ATOM 772 N ILE A 47 -0.066 -3.482 5.787 1.00 0.00 N ATOM 773 CA ILE A 47 -0.711 -3.096 4.536 1.00 0.00 C ATOM 774 C ILE A 47 -1.157 -1.638 4.634 1.00 0.00 C ATOM 775 O ILE A 47 -0.938 -0.898 3.689 1.00 0.00 O ATOM 776 CB ILE A 47 -1.890 -4.030 4.171 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.379 -5.478 4.042 1.00 0.00 C ATOM 778 CG2 ILE A 47 -2.576 -3.591 2.855 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.462 -6.445 3.573 1.00 0.00 C ATOM 0 H ILE A 47 -0.496 -4.285 6.245 1.00 0.00 H new ATOM 0 HA ILE A 47 0.012 -3.198 3.726 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.632 -3.970 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.546 -5.504 3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.994 -5.810 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.399 -4.269 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.961 -2.577 2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.852 -3.617 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.046 -7.450 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.285 -6.444 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.830 -6.133 2.596 1.00 0.00 H new ATOM 791 N ALA A 48 -1.781 -1.213 5.734 1.00 0.00 N ATOM 792 CA ALA A 48 -2.497 0.049 5.857 1.00 0.00 C ATOM 793 C ALA A 48 -1.551 1.249 5.702 1.00 0.00 C ATOM 794 O ALA A 48 -1.964 2.288 5.183 1.00 0.00 O ATOM 795 CB ALA A 48 -3.229 0.084 7.202 1.00 0.00 C ATOM 0 H ALA A 48 -1.800 -1.762 6.593 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.229 0.122 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.767 1.027 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.936 -0.744 7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.506 -0.006 8.012 1.00 0.00 H new ATOM 801 N GLU A 49 -0.282 1.103 6.097 1.00 0.00 N ATOM 802 CA GLU A 49 0.737 2.133 5.868 1.00 0.00 C ATOM 803 C GLU A 49 1.024 2.263 4.370 1.00 0.00 C ATOM 804 O GLU A 49 1.142 3.375 3.851 1.00 0.00 O ATOM 805 CB GLU A 49 2.031 1.819 6.638 1.00 0.00 C ATOM 806 CG GLU A 49 2.977 3.039 6.645 1.00 0.00 C ATOM 807 CD GLU A 49 4.370 2.737 7.204 1.00 0.00 C ATOM 808 OE1 GLU A 49 4.501 1.980 8.188 1.00 0.00 O ATOM 809 OE2 GLU A 49 5.378 3.229 6.636 1.00 0.00 O ATOM 0 H GLU A 49 0.066 0.275 6.580 1.00 0.00 H new ATOM 0 HA GLU A 49 0.351 3.082 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.790 1.535 7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.533 0.967 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.078 3.415 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.524 3.835 7.235 1.00 0.00 H new ATOM 816 N ALA A 50 1.089 1.133 3.659 1.00 0.00 N ATOM 817 CA ALA A 50 1.290 1.104 2.216 1.00 0.00 C ATOM 818 C ALA A 50 0.026 1.537 1.485 1.00 0.00 C ATOM 819 O ALA A 50 0.115 2.090 0.397 1.00 0.00 O ATOM 820 CB ALA A 50 1.661 -0.321 1.781 1.00 0.00 C ATOM 0 H ALA A 50 1.002 0.207 4.077 1.00 0.00 H new ATOM 0 HA ALA A 50 2.095 1.795 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.812 -0.344 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.579 -0.627 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.856 -1.005 2.050 1.00 0.00 H new ATOM 826 N TYR A 51 -1.134 1.297 2.078 1.00 0.00 N ATOM 827 CA TYR A 51 -2.460 1.586 1.571 1.00 0.00 C ATOM 828 C TYR A 51 -2.657 3.094 1.497 1.00 0.00 C ATOM 829 O TYR A 51 -3.086 3.613 0.470 1.00 0.00 O ATOM 830 CB TYR A 51 -3.446 0.942 2.546 1.00 0.00 C ATOM 831 CG TYR A 51 -4.773 0.541 1.989 1.00 0.00 C ATOM 832 CD1 TYR A 51 -4.893 -0.701 1.343 1.00 0.00 C ATOM 833 CD2 TYR A 51 -5.899 1.340 2.235 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.159 -1.164 0.970 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.165 0.876 1.862 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.304 -0.392 1.260 1.00 0.00 C ATOM 837 OH TYR A 51 -8.544 -0.840 0.915 1.00 0.00 O ATOM 0 H TYR A 51 -1.171 0.860 2.999 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.611 1.191 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.974 0.057 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.618 1.639 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.014 -1.294 1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.790 2.305 2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.260 -2.111 0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.037 1.489 2.035 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.217 -0.183 1.191 1.00 0.00 H new ATOM 847 N ASP A 52 -2.296 3.793 2.578 1.00 0.00 N ATOM 848 CA ASP A 52 -2.260 5.249 2.676 1.00 0.00 C ATOM 849 C ASP A 52 -1.443 5.839 1.532 1.00 0.00 C ATOM 850 O ASP A 52 -1.878 6.771 0.860 1.00 0.00 O ATOM 851 CB ASP A 52 -1.634 5.619 4.024 1.00 0.00 C ATOM 852 CG ASP A 52 -1.355 7.113 4.180 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.279 7.937 3.992 1.00 0.00 O ATOM 854 OD2 ASP A 52 -0.211 7.459 4.559 1.00 0.00 O ATOM 0 H ASP A 52 -2.009 3.336 3.444 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.270 5.654 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.300 5.297 4.825 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.701 5.069 4.145 1.00 0.00 H new ATOM 859 N VAL A 53 -0.265 5.267 1.294 1.00 0.00 N ATOM 860 CA VAL A 53 0.600 5.681 0.198 1.00 0.00 C ATOM 861 C VAL A 53 -0.091 5.402 -1.144 1.00 0.00 C ATOM 862 O VAL A 53 -0.309 6.312 -1.941 1.00 0.00 O ATOM 863 CB VAL A 53 1.986 5.010 0.308 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.910 5.547 -0.783 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.700 5.272 1.641 1.00 0.00 C ATOM 0 H VAL A 53 0.114 4.505 1.856 1.00 0.00 H new ATOM 0 HA VAL A 53 0.775 6.755 0.258 1.00 0.00 H new ATOM 0 HB VAL A 53 1.793 3.941 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.886 5.070 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.482 5.330 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.022 6.625 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.666 4.768 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.850 6.344 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.091 4.890 2.461 1.00 0.00 H new ATOM 875 N LEU A 54 -0.409 4.140 -1.415 1.00 0.00 N ATOM 876 CA LEU A 54 -0.815 3.590 -2.695 1.00 0.00 C ATOM 877 C LEU A 54 -2.335 3.669 -2.806 1.00 0.00 C ATOM 878 O LEU A 54 -3.022 2.689 -3.097 1.00 0.00 O ATOM 879 CB LEU A 54 -0.259 2.161 -2.787 1.00 0.00 C ATOM 880 CG LEU A 54 1.279 2.122 -2.783 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.797 0.719 -2.498 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.867 2.548 -4.125 1.00 0.00 C ATOM 0 H LEU A 54 -0.386 3.425 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.416 4.153 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.636 1.574 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.628 1.690 -3.698 1.00 0.00 H new ATOM 0 HG LEU A 54 1.587 2.816 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.887 0.726 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.440 0.391 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.435 0.035 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.955 2.505 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.513 1.877 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.554 3.567 -4.352 1.00 0.00 H new ATOM 894 N SER A 55 -2.862 4.861 -2.555 1.00 0.00 N ATOM 895 CA SER A 55 -4.213 5.261 -2.912 1.00 0.00 C ATOM 896 C SER A 55 -4.329 6.780 -3.072 1.00 0.00 C ATOM 897 O SER A 55 -5.357 7.261 -3.548 1.00 0.00 O ATOM 898 CB SER A 55 -5.199 4.733 -1.868 1.00 0.00 C ATOM 899 OG SER A 55 -4.905 5.207 -0.568 1.00 0.00 O ATOM 0 H SER A 55 -2.341 5.599 -2.081 1.00 0.00 H new ATOM 0 HA SER A 55 -4.459 4.824 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.211 5.032 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.178 3.643 -1.869 1.00 0.00 H new ATOM 0 HG SER A 55 -4.290 4.586 -0.125 1.00 0.00 H new ATOM 905 N ASP A 56 -3.310 7.548 -2.668 1.00 0.00 N ATOM 906 CA ASP A 56 -3.270 8.992 -2.800 1.00 0.00 C ATOM 907 C ASP A 56 -1.989 9.372 -3.531 1.00 0.00 C ATOM 908 O ASP A 56 -0.914 9.196 -2.950 1.00 0.00 O ATOM 909 CB ASP A 56 -3.309 9.655 -1.422 1.00 0.00 C ATOM 910 CG ASP A 56 -3.146 11.172 -1.518 1.00 0.00 C ATOM 911 OD1 ASP A 56 -3.583 11.772 -2.529 1.00 0.00 O ATOM 912 OD2 ASP A 56 -2.635 11.780 -0.553 1.00 0.00 O ATOM 0 H ASP A 56 -2.473 7.163 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.137 9.336 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.254 9.421 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.516 9.243 -0.798 1.00 0.00 H new ATOM 917 N PRO A 57 -2.049 9.900 -4.769 1.00 0.00 N ATOM 918 CA PRO A 57 -0.843 10.255 -5.505 1.00 0.00 C ATOM 919 C PRO A 57 0.032 11.207 -4.699 1.00 0.00 C ATOM 920 O PRO A 57 1.248 11.055 -4.719 1.00 0.00 O ATOM 921 CB PRO A 57 -1.309 10.908 -6.815 1.00 0.00 C ATOM 922 CG PRO A 57 -2.779 11.253 -6.582 1.00 0.00 C ATOM 923 CD PRO A 57 -3.239 10.237 -5.539 1.00 0.00 C ATOM 0 HA PRO A 57 -0.234 9.373 -5.703 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.725 11.800 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.192 10.228 -7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.896 12.275 -6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.358 11.171 -7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.015 10.657 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.662 9.352 -6.014 1.00 0.00 H new ATOM 931 N ARG A 58 -0.565 12.135 -3.939 1.00 0.00 N ATOM 932 CA ARG A 58 0.176 13.143 -3.185 1.00 0.00 C ATOM 933 C ARG A 58 1.049 12.498 -2.107 1.00 0.00 C ATOM 934 O ARG A 58 2.080 13.072 -1.754 1.00 0.00 O ATOM 935 CB ARG A 58 -0.797 14.150 -2.546 1.00 0.00 C ATOM 936 CG ARG A 58 -1.305 15.252 -3.490 1.00 0.00 C ATOM 937 CD ARG A 58 -2.077 14.748 -4.723 1.00 0.00 C ATOM 938 NE ARG A 58 -2.981 15.780 -5.261 1.00 0.00 N ATOM 939 CZ ARG A 58 -2.635 16.960 -5.787 1.00 0.00 C ATOM 940 NH1 ARG A 58 -1.369 17.247 -6.067 1.00 0.00 N ATOM 941 NH2 ARG A 58 -3.591 17.851 -6.010 1.00 0.00 N ATOM 0 H ARG A 58 -1.577 12.204 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 58 0.831 13.669 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.655 13.604 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.303 14.620 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.951 15.924 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.452 15.840 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.370 14.445 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.654 13.863 -4.454 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.979 15.572 -5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.637 16.561 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.128 18.153 -6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.560 17.628 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.358 18.760 -6.410 1.00 0.00 H new ATOM 955 N LYS A 59 0.675 11.330 -1.576 1.00 0.00 N ATOM 956 CA LYS A 59 1.414 10.640 -0.537 1.00 0.00 C ATOM 957 C LYS A 59 2.649 10.011 -1.137 1.00 0.00 C ATOM 958 O LYS A 59 3.757 10.347 -0.720 1.00 0.00 O ATOM 959 CB LYS A 59 0.476 9.623 0.139 1.00 0.00 C ATOM 960 CG LYS A 59 0.747 9.419 1.626 1.00 0.00 C ATOM 961 CD LYS A 59 1.967 8.560 1.933 1.00 0.00 C ATOM 962 CE LYS A 59 2.779 9.183 3.059 1.00 0.00 C ATOM 963 NZ LYS A 59 2.248 8.816 4.388 1.00 0.00 N ATOM 0 H LYS A 59 -0.168 10.835 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 59 1.759 11.328 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.555 9.954 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.569 8.664 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.877 10.394 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.130 8.959 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.652 7.555 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.585 8.461 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.817 8.859 2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.775 10.268 2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.098 9.677 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.344 8.314 4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.928 8.198 4.875 1.00 0.00 H new ATOM 977 N ARG A 60 2.500 9.106 -2.111 1.00 0.00 N ATOM 978 CA ARG A 60 3.643 8.595 -2.812 1.00 0.00 C ATOM 979 C ARG A 60 4.441 9.682 -3.500 1.00 0.00 C ATOM 980 O ARG A 60 5.609 9.425 -3.715 1.00 0.00 O ATOM 981 CB ARG A 60 3.237 7.478 -3.786 1.00 0.00 C ATOM 982 CG ARG A 60 4.405 6.497 -3.766 1.00 0.00 C ATOM 983 CD ARG A 60 4.141 5.165 -4.454 1.00 0.00 C ATOM 984 NE ARG A 60 5.400 4.582 -4.956 1.00 0.00 N ATOM 985 CZ ARG A 60 6.183 3.582 -4.511 1.00 0.00 C ATOM 986 NH1 ARG A 60 5.973 2.971 -3.345 1.00 0.00 N ATOM 987 NH2 ARG A 60 7.209 3.194 -5.259 1.00 0.00 N ATOM 0 H ARG A 60 1.603 8.727 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 60 4.308 8.162 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.311 6.997 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.067 7.870 -4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.265 6.970 -4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.680 6.304 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.668 4.476 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.445 5.308 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 60 5.745 5.024 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.194 3.257 -2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.591 2.217 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.391 3.652 -6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.815 2.438 -4.941 1.00 0.00 H new ATOM 1001 N GLU A 61 3.906 10.865 -3.797 1.00 0.00 N ATOM 1002 CA GLU A 61 4.529 11.804 -4.713 1.00 0.00 C ATOM 1003 C GLU A 61 5.985 12.060 -4.351 1.00 0.00 C ATOM 1004 O GLU A 61 6.857 11.987 -5.222 1.00 0.00 O ATOM 1005 CB GLU A 61 3.747 13.126 -4.719 1.00 0.00 C ATOM 1006 CG GLU A 61 4.027 13.971 -5.958 1.00 0.00 C ATOM 1007 CD GLU A 61 3.322 13.411 -7.200 1.00 0.00 C ATOM 1008 OE1 GLU A 61 3.762 12.362 -7.723 1.00 0.00 O ATOM 1009 OE2 GLU A 61 2.334 14.021 -7.665 1.00 0.00 O ATOM 0 H GLU A 61 3.024 11.196 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 61 4.508 11.363 -5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.680 12.912 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.004 13.699 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.696 14.995 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.102 14.010 -6.136 1.00 0.00 H new ATOM 1016 N ILE A 62 6.248 12.309 -3.064 1.00 0.00 N ATOM 1017 CA ILE A 62 7.610 12.646 -2.647 1.00 0.00 C ATOM 1018 C ILE A 62 8.489 11.383 -2.665 1.00 0.00 C ATOM 1019 O ILE A 62 9.633 11.428 -3.125 1.00 0.00 O ATOM 1020 CB ILE A 62 7.623 13.368 -1.279 1.00 0.00 C ATOM 1021 CG1 ILE A 62 6.629 14.555 -1.268 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.047 13.868 -0.984 1.00 0.00 C ATOM 1023 CD1 ILE A 62 6.688 15.398 0.008 1.00 0.00 C ATOM 0 H ILE A 62 5.558 12.285 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 62 8.035 13.354 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 62 7.313 12.664 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.833 15.196 -2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.617 14.170 -1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.061 14.378 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.732 13.020 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 62 9.359 14.561 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.964 16.210 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.453 14.772 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.689 15.814 0.124 1.00 0.00 H new ATOM 1035 N PHE A 63 7.956 10.248 -2.202 1.00 0.00 N ATOM 1036 CA PHE A 63 8.636 8.958 -2.257 1.00 0.00 C ATOM 1037 C PHE A 63 9.002 8.623 -3.706 1.00 0.00 C ATOM 1038 O PHE A 63 10.095 8.123 -3.952 1.00 0.00 O ATOM 1039 CB PHE A 63 7.737 7.871 -1.633 1.00 0.00 C ATOM 1040 CG PHE A 63 8.299 6.457 -1.616 1.00 0.00 C ATOM 1041 CD1 PHE A 63 8.425 5.729 -2.817 1.00 0.00 C ATOM 1042 CD2 PHE A 63 8.650 5.839 -0.399 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.926 4.420 -2.804 1.00 0.00 C ATOM 1044 CE2 PHE A 63 9.087 4.500 -0.386 1.00 0.00 C ATOM 1045 CZ PHE A 63 9.205 3.784 -1.589 1.00 0.00 C ATOM 0 H PHE A 63 7.031 10.203 -1.775 1.00 0.00 H new ATOM 0 HA PHE A 63 9.561 9.003 -1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.512 8.162 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.792 7.857 -2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.134 6.183 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.584 6.393 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.097 3.900 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.332 4.022 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.510 2.748 -1.576 1.00 0.00 H new ATOM 1055 N ASP A 64 8.090 8.853 -4.651 1.00 0.00 N ATOM 1056 CA ASP A 64 8.173 8.402 -6.034 1.00 0.00 C ATOM 1057 C ASP A 64 9.175 9.257 -6.798 1.00 0.00 C ATOM 1058 O ASP A 64 9.958 8.714 -7.582 1.00 0.00 O ATOM 1059 CB ASP A 64 6.787 8.448 -6.712 1.00 0.00 C ATOM 1060 CG ASP A 64 6.551 7.246 -7.624 1.00 0.00 C ATOM 1061 OD1 ASP A 64 6.443 6.117 -7.087 1.00 0.00 O ATOM 1062 OD2 ASP A 64 6.397 7.398 -8.854 1.00 0.00 O ATOM 0 H ASP A 64 7.238 9.381 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 64 8.514 7.367 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.011 8.479 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.699 9.366 -7.293 1.00 0.00 H new ATOM 1067 N ARG A 65 9.186 10.581 -6.564 1.00 0.00 N ATOM 1068 CA ARG A 65 10.093 11.495 -7.233 1.00 0.00 C ATOM 1069 C ARG A 65 11.539 11.235 -6.839 1.00 0.00 C ATOM 1070 O ARG A 65 12.418 11.209 -7.704 1.00 0.00 O ATOM 1071 CB ARG A 65 9.637 12.954 -7.046 1.00 0.00 C ATOM 1072 CG ARG A 65 10.086 13.746 -5.808 1.00 0.00 C ATOM 1073 CD ARG A 65 9.785 15.250 -5.926 1.00 0.00 C ATOM 1074 NE ARG A 65 8.342 15.574 -5.936 1.00 0.00 N ATOM 1075 CZ ARG A 65 7.689 16.330 -5.038 1.00 0.00 C ATOM 1076 NH1 ARG A 65 8.310 16.847 -3.983 1.00 0.00 N ATOM 1077 NH2 ARG A 65 6.396 16.582 -5.185 1.00 0.00 N ATOM 0 H ARG A 65 8.559 11.037 -5.901 1.00 0.00 H new ATOM 0 HA ARG A 65 10.055 11.308 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.965 13.511 -7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.547 12.957 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.586 13.347 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.156 13.604 -5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.259 15.772 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.239 15.631 -6.841 1.00 0.00 H new ATOM 0 HE ARG A 65 7.788 15.185 -6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.305 16.673 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.792 17.418 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.890 16.201 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.907 17.157 -4.499 1.00 0.00 H new ATOM 1091 N TYR A 66 11.802 11.102 -5.543 1.00 0.00 N ATOM 1092 CA TYR A 66 13.158 10.934 -5.033 1.00 0.00 C ATOM 1093 C TYR A 66 13.607 9.476 -5.076 1.00 0.00 C ATOM 1094 O TYR A 66 14.771 9.208 -5.371 1.00 0.00 O ATOM 1095 CB TYR A 66 13.250 11.491 -3.610 1.00 0.00 C ATOM 1096 CG TYR A 66 13.295 13.006 -3.562 1.00 0.00 C ATOM 1097 CD1 TYR A 66 14.450 13.659 -4.033 1.00 0.00 C ATOM 1098 CD2 TYR A 66 12.219 13.762 -3.065 1.00 0.00 C ATOM 1099 CE1 TYR A 66 14.543 15.057 -3.991 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.313 15.162 -3.001 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.482 15.818 -3.449 1.00 0.00 C ATOM 1102 OH TYR A 66 13.602 17.165 -3.293 1.00 0.00 O ATOM 0 H TYR A 66 11.084 11.108 -4.819 1.00 0.00 H new ATOM 0 HA TYR A 66 13.833 11.493 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.393 11.141 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.143 11.092 -3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.270 13.079 -4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.319 13.266 -2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.424 15.552 -4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.489 15.739 -2.608 1.00 0.00 H new ATOM 0 HH TYR A 66 12.776 17.525 -2.907 1.00 0.00 H new ATOM 1112 N GLY A 67 12.699 8.538 -4.811 1.00 0.00 N ATOM 1113 CA GLY A 67 13.007 7.136 -4.614 1.00 0.00 C ATOM 1114 C GLY A 67 13.478 6.930 -3.185 1.00 0.00 C ATOM 1115 O GLY A 67 14.676 6.995 -2.923 1.00 0.00 O ATOM 0 H GLY A 67 11.704 8.745 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.126 6.525 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.779 6.818 -5.315 1.00 0.00 H new ATOM 1119 N GLU A 68 12.538 6.696 -2.267 1.00 0.00 N ATOM 1120 CA GLU A 68 12.736 6.451 -0.831 1.00 0.00 C ATOM 1121 C GLU A 68 13.254 7.686 -0.074 1.00 0.00 C ATOM 1122 O GLU A 68 12.561 8.181 0.820 1.00 0.00 O ATOM 1123 CB GLU A 68 13.556 5.157 -0.592 1.00 0.00 C ATOM 1124 CG GLU A 68 14.171 5.047 0.815 1.00 0.00 C ATOM 1125 CD GLU A 68 14.452 3.599 1.222 1.00 0.00 C ATOM 1126 OE1 GLU A 68 15.370 2.947 0.677 1.00 0.00 O ATOM 1127 OE2 GLU A 68 13.713 3.080 2.096 1.00 0.00 O ATOM 0 H GLU A 68 11.550 6.670 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 68 11.757 6.270 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.910 4.295 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.356 5.106 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.100 5.616 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.494 5.500 1.540 1.00 0.00 H new ATOM 1134 N GLU A 69 14.448 8.182 -0.409 1.00 0.00 N ATOM 1135 CA GLU A 69 15.174 9.248 0.285 1.00 0.00 C ATOM 1136 C GLU A 69 14.517 10.586 -0.110 1.00 0.00 C ATOM 1137 O GLU A 69 15.089 11.408 -0.823 1.00 0.00 O ATOM 1138 CB GLU A 69 16.656 9.195 -0.148 1.00 0.00 C ATOM 1139 CG GLU A 69 17.513 8.184 0.623 1.00 0.00 C ATOM 1140 CD GLU A 69 17.695 8.472 2.113 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.570 9.282 2.504 1.00 0.00 O ATOM 1142 OE2 GLU A 69 17.027 7.796 2.925 1.00 0.00 O ATOM 0 H GLU A 69 14.962 7.831 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 69 15.134 9.135 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.702 8.954 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.091 10.187 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.064 7.197 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.497 8.139 0.157 1.00 0.00 H new ATOM 1149 N GLY A 70 13.268 10.779 0.295 1.00 0.00 N ATOM 1150 CA GLY A 70 12.447 11.928 -0.042 1.00 0.00 C ATOM 1151 C GLY A 70 11.311 12.073 0.955 1.00 0.00 C ATOM 1152 O GLY A 70 11.051 13.161 1.460 1.00 0.00 O ATOM 0 H GLY A 70 12.782 10.110 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.057 12.832 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.045 11.814 -1.048 1.00 0.00 H new ATOM 1156 N LEU A 71 10.615 10.970 1.256 1.00 0.00 N ATOM 1157 CA LEU A 71 9.441 11.009 2.128 1.00 0.00 C ATOM 1158 C LEU A 71 9.858 11.445 3.540 1.00 0.00 C ATOM 1159 O LEU A 71 9.229 12.320 4.135 1.00 0.00 O ATOM 1160 CB LEU A 71 8.736 9.638 2.083 1.00 0.00 C ATOM 1161 CG LEU A 71 7.252 9.591 2.508 1.00 0.00 C ATOM 1162 CD1 LEU A 71 7.004 9.879 3.992 1.00 0.00 C ATOM 1163 CD2 LEU A 71 6.376 10.509 1.644 1.00 0.00 C ATOM 0 H LEU A 71 10.847 10.040 0.907 1.00 0.00 H new ATOM 0 HA LEU A 71 8.718 11.749 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.808 9.255 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.292 8.952 2.722 1.00 0.00 H new ATOM 0 HG LEU A 71 6.962 8.554 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.935 9.825 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.530 9.141 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.370 10.876 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.341 10.444 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.724 11.538 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.441 10.198 0.601 1.00 0.00 H new