USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 407 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 49 THR OG1 : rot 104:sc= 0.938 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -8.37! C(o=-8.4!,f=-13!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 11 ASN : amide:sc= -0.113 K(o=-0.11,f=0.85) USER MOD Single : A 14 TYR OH : rot 60:sc= -0.799 USER MOD Single : A 16 THR OG1 : rot 93:sc= -0.183! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -169:sc= -0.122 USER MOD Single : A 28 ASN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 175:sc= -0.165 USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.0426 (180deg=-0.333) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.86 USER MOD Single : A 55 GLN : amide:sc= -2.02! C(o=-2!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 41 N TYR A 3 9.238 4.074 0.351 1.00 0.00 N ATOM 42 CA TYR A 3 8.557 3.051 -0.432 1.00 0.00 C ATOM 43 C TYR A 3 7.220 3.578 -0.928 1.00 0.00 C ATOM 44 O TYR A 3 6.608 4.432 -0.287 1.00 0.00 O ATOM 45 CB TYR A 3 8.340 1.791 0.405 1.00 0.00 C ATOM 46 CG TYR A 3 9.612 1.047 0.753 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.695 1.701 1.327 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.725 -0.313 0.508 1.00 0.00 C ATOM 49 CE1 TYR A 3 11.853 1.017 1.647 1.00 0.00 C ATOM 50 CE2 TYR A 3 10.879 -1.004 0.823 1.00 0.00 C ATOM 51 CZ TYR A 3 11.941 -0.335 1.392 1.00 0.00 C ATOM 52 OH TYR A 3 13.091 -1.018 1.708 1.00 0.00 O ATOM 0 HA TYR A 3 9.182 2.798 -1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.830 2.066 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.676 1.118 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.631 2.761 1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.895 -0.842 0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.685 1.540 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.949 -2.063 0.624 1.00 0.00 H new ATOM 0 HH TYR A 3 12.988 -1.962 1.465 1.00 0.00 H new ATOM 62 N LEU A 4 6.763 3.071 -2.068 1.00 0.00 N ATOM 63 CA LEU A 4 5.491 3.512 -2.630 1.00 0.00 C ATOM 64 C LEU A 4 4.540 2.336 -2.770 1.00 0.00 C ATOM 65 O LEU A 4 4.972 1.206 -2.997 1.00 0.00 O ATOM 66 CB LEU A 4 5.697 4.188 -3.993 1.00 0.00 C ATOM 67 CG LEU A 4 7.015 4.955 -4.170 1.00 0.00 C ATOM 68 CD1 LEU A 4 7.362 5.740 -2.913 1.00 0.00 C ATOM 69 CD2 LEU A 4 8.147 4.005 -4.539 1.00 0.00 C ATOM 0 H LEU A 4 7.249 2.361 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 4 5.055 4.242 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.637 3.424 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.871 4.879 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 4 6.883 5.665 -4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.300 6.274 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.568 6.455 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.467 5.054 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.071 4.570 -4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.274 3.266 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.907 3.499 -5.474 1.00 0.00 H new ATOM 81 N VAL A 5 3.243 2.592 -2.630 1.00 0.00 N ATOM 82 CA VAL A 5 2.268 1.517 -2.746 1.00 0.00 C ATOM 83 C VAL A 5 1.127 1.867 -3.700 1.00 0.00 C ATOM 84 O VAL A 5 0.728 3.025 -3.815 1.00 0.00 O ATOM 85 CB VAL A 5 1.675 1.112 -1.376 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.582 2.050 -0.924 1.00 0.00 C ATOM 87 CG2 VAL A 5 1.127 -0.285 -1.461 1.00 0.00 C ATOM 0 H VAL A 5 2.850 3.514 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 5 2.820 0.671 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 5 2.480 1.165 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.198 1.723 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.984 3.059 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.226 2.046 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.709 -0.571 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.346 -0.324 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.928 -0.974 -1.728 1.00 0.00 H new ATOM 97 N VAL A 6 0.602 0.842 -4.369 1.00 0.00 N ATOM 98 CA VAL A 6 -0.500 1.005 -5.298 1.00 0.00 C ATOM 99 C VAL A 6 -1.527 -0.118 -5.123 1.00 0.00 C ATOM 100 O VAL A 6 -1.244 -1.287 -5.372 1.00 0.00 O ATOM 101 CB VAL A 6 0.005 1.035 -6.759 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.196 1.970 -6.897 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.384 -0.361 -7.226 1.00 0.00 C ATOM 0 H VAL A 6 0.931 -0.119 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.980 1.959 -5.078 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.805 1.406 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.536 1.976 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.903 2.978 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.005 1.627 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.737 -0.317 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.175 -0.756 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.488 -1.013 -7.168 1.00 0.00 H new ATOM 113 N ASN A 7 -2.719 0.252 -4.686 1.00 0.00 N ATOM 114 CA ASN A 7 -3.789 -0.719 -4.464 1.00 0.00 C ATOM 115 C ASN A 7 -4.581 -0.978 -5.742 1.00 0.00 C ATOM 116 O ASN A 7 -5.024 -0.040 -6.404 1.00 0.00 O ATOM 117 CB ASN A 7 -4.733 -0.225 -3.353 1.00 0.00 C ATOM 118 CG ASN A 7 -6.101 -0.903 -3.376 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.397 -1.765 -2.551 1.00 0.00 O ATOM 120 ND2 ASN A 7 -6.941 -0.510 -4.324 1.00 0.00 N ATOM 0 H ASN A 7 -2.975 1.217 -4.476 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.328 -1.657 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.265 -0.400 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.867 0.852 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.870 -0.926 -4.387 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.658 0.209 -4.990 1.00 0.00 H new ATOM 127 N LYS A 8 -4.780 -2.254 -6.076 1.00 0.00 N ATOM 128 CA LYS A 8 -5.551 -2.598 -7.269 1.00 0.00 C ATOM 129 C LYS A 8 -6.498 -3.766 -7.002 1.00 0.00 C ATOM 130 O LYS A 8 -6.067 -4.885 -6.743 1.00 0.00 O ATOM 131 CB LYS A 8 -4.621 -2.938 -8.440 1.00 0.00 C ATOM 132 CG LYS A 8 -3.306 -2.171 -8.429 1.00 0.00 C ATOM 133 CD LYS A 8 -2.340 -2.711 -9.472 1.00 0.00 C ATOM 134 CE LYS A 8 -1.563 -1.591 -10.144 1.00 0.00 C ATOM 135 NZ LYS A 8 -2.274 -1.062 -11.342 1.00 0.00 N ATOM 0 H LYS A 8 -4.425 -3.052 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.148 -1.725 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.407 -4.007 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.142 -2.733 -9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.497 -1.115 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.852 -2.239 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.645 -3.406 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.892 -3.274 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.402 -0.782 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.579 -1.957 -10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.711 -0.300 -11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.405 -1.827 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.202 -0.689 -11.058 1.00 0.00 H new ATOM 149 N GLY A 9 -7.794 -3.497 -7.076 1.00 0.00 N ATOM 150 CA GLY A 9 -8.779 -4.537 -6.844 1.00 0.00 C ATOM 151 C GLY A 9 -9.748 -4.675 -8.002 1.00 0.00 C ATOM 152 O GLY A 9 -9.338 -4.874 -9.145 1.00 0.00 O ATOM 0 H GLY A 9 -8.182 -2.579 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.270 -5.487 -6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.334 -4.313 -5.933 1.00 0.00 H new ATOM 156 N GLN A 10 -11.038 -4.568 -7.707 1.00 0.00 N ATOM 157 CA GLN A 10 -12.066 -4.682 -8.733 1.00 0.00 C ATOM 158 C GLN A 10 -12.815 -3.365 -8.905 1.00 0.00 C ATOM 159 O GLN A 10 -13.301 -3.052 -9.998 1.00 0.00 O ATOM 160 CB GLN A 10 -13.051 -5.799 -8.377 1.00 0.00 C ATOM 161 CG GLN A 10 -12.656 -7.156 -8.933 1.00 0.00 C ATOM 162 CD GLN A 10 -11.450 -7.743 -8.229 1.00 0.00 C ATOM 163 OE1 GLN A 10 -10.329 -7.706 -8.741 1.00 0.00 O ATOM 164 NE2 GLN A 10 -11.670 -8.295 -7.041 1.00 0.00 N ATOM 0 H GLN A 10 -11.396 -4.403 -6.766 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.575 -4.925 -9.676 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.132 -5.869 -7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.039 -5.535 -8.754 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.497 -7.842 -8.839 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.440 -7.060 -9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.612 -8.306 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.897 -8.708 -6.519 1.00 0.00 H new ATOM 173 N ASN A 11 -12.924 -2.594 -7.828 1.00 0.00 N ATOM 174 CA ASN A 11 -13.616 -1.319 -7.860 1.00 0.00 C ATOM 175 C ASN A 11 -12.993 -0.317 -6.896 1.00 0.00 C ATOM 176 O ASN A 11 -13.697 0.379 -6.165 1.00 0.00 O ATOM 177 CB ASN A 11 -15.088 -1.528 -7.511 1.00 0.00 C ATOM 178 CG ASN A 11 -15.980 -0.446 -8.089 1.00 0.00 C ATOM 179 OD1 ASN A 11 -15.777 0.742 -7.840 1.00 0.00 O ATOM 180 ND2 ASN A 11 -16.980 -0.852 -8.872 1.00 0.00 N ATOM 0 H ASN A 11 -12.537 -2.837 -6.916 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.527 -0.911 -8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.412 -2.500 -7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.202 -1.548 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.611 -0.168 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.114 -1.847 -9.054 1.00 0.00 H new ATOM 187 N ALA A 12 -11.665 -0.249 -6.887 1.00 0.00 N ATOM 188 CA ALA A 12 -10.959 0.670 -6.000 1.00 0.00 C ATOM 189 C ALA A 12 -9.457 0.688 -6.287 1.00 0.00 C ATOM 190 O ALA A 12 -8.805 -0.356 -6.318 1.00 0.00 O ATOM 191 CB ALA A 12 -11.213 0.296 -4.549 1.00 0.00 C ATOM 0 H ALA A 12 -11.059 -0.816 -7.480 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.344 1.673 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.681 0.988 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.282 0.349 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.858 -0.719 -4.367 1.00 0.00 H new ATOM 197 N PHE A 13 -8.922 1.888 -6.491 1.00 0.00 N ATOM 198 CA PHE A 13 -7.499 2.056 -6.770 1.00 0.00 C ATOM 199 C PHE A 13 -6.906 3.152 -5.888 1.00 0.00 C ATOM 200 O PHE A 13 -7.279 4.317 -5.994 1.00 0.00 O ATOM 201 CB PHE A 13 -7.281 2.397 -8.243 1.00 0.00 C ATOM 202 CG PHE A 13 -7.312 1.196 -9.146 1.00 0.00 C ATOM 203 CD1 PHE A 13 -8.493 0.500 -9.356 1.00 0.00 C ATOM 204 CD2 PHE A 13 -6.161 0.764 -9.785 1.00 0.00 C ATOM 205 CE1 PHE A 13 -8.526 -0.604 -10.188 1.00 0.00 C ATOM 206 CE2 PHE A 13 -6.190 -0.338 -10.620 1.00 0.00 C ATOM 207 CZ PHE A 13 -7.367 -1.026 -10.815 1.00 0.00 C ATOM 0 H PHE A 13 -9.452 2.759 -6.468 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.994 1.116 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.049 3.102 -8.562 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.320 2.900 -8.353 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.398 0.824 -8.864 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.232 1.293 -9.630 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.453 -1.135 -10.348 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.288 -0.660 -11.120 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.385 -1.894 -11.457 1.00 0.00 H new ATOM 217 N TYR A 14 -5.978 2.771 -5.012 1.00 0.00 N ATOM 218 CA TYR A 14 -5.345 3.727 -4.115 1.00 0.00 C ATOM 219 C TYR A 14 -3.844 3.471 -4.011 1.00 0.00 C ATOM 220 O TYR A 14 -3.416 2.398 -3.594 1.00 0.00 O ATOM 221 CB TYR A 14 -5.983 3.655 -2.720 1.00 0.00 C ATOM 222 CG TYR A 14 -5.011 3.923 -1.589 1.00 0.00 C ATOM 223 CD1 TYR A 14 -4.583 5.216 -1.304 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.507 2.884 -0.813 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.690 5.463 -0.283 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.615 3.130 0.206 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.208 4.416 0.469 1.00 0.00 C ATOM 228 OH TYR A 14 -2.318 4.659 1.490 1.00 0.00 O ATOM 0 H TYR A 14 -5.651 1.811 -4.907 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.497 4.724 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.798 4.377 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.423 2.667 -2.582 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.957 6.041 -1.893 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.820 1.870 -1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.370 6.473 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.235 2.312 0.799 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.731 5.256 2.149 1.00 0.00 H new ATOM 238 N GLU A 15 -3.051 4.476 -4.353 1.00 0.00 N ATOM 239 CA GLU A 15 -1.607 4.366 -4.261 1.00 0.00 C ATOM 240 C GLU A 15 -1.055 5.561 -3.501 1.00 0.00 C ATOM 241 O GLU A 15 -1.250 6.709 -3.898 1.00 0.00 O ATOM 242 CB GLU A 15 -0.974 4.247 -5.658 1.00 0.00 C ATOM 243 CG GLU A 15 0.125 5.256 -5.945 1.00 0.00 C ATOM 244 CD GLU A 15 0.486 5.330 -7.415 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.426 5.549 -8.239 1.00 0.00 O ATOM 246 OE2 GLU A 15 1.680 5.166 -7.742 1.00 0.00 O ATOM 0 H GLU A 15 -3.386 5.376 -4.697 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.352 3.458 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.566 3.243 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.757 4.360 -6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.194 6.241 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.013 4.992 -5.370 1.00 0.00 H new ATOM 253 N THR A 16 -0.383 5.285 -2.399 1.00 0.00 N ATOM 254 CA THR A 16 0.179 6.342 -1.580 1.00 0.00 C ATOM 255 C THR A 16 1.570 5.971 -1.081 1.00 0.00 C ATOM 256 O THR A 16 1.764 4.938 -0.445 1.00 0.00 O ATOM 257 CB THR A 16 -0.771 6.664 -0.424 1.00 0.00 C ATOM 258 OG1 THR A 16 -1.795 7.539 -0.858 1.00 0.00 O ATOM 259 CG2 THR A 16 -0.099 7.314 0.758 1.00 0.00 C ATOM 0 H THR A 16 -0.214 4.341 -2.051 1.00 0.00 H new ATOM 0 HA THR A 16 0.291 7.239 -2.190 1.00 0.00 H new ATOM 0 HB THR A 16 -1.165 5.699 -0.105 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.571 7.016 -1.149 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.839 7.510 1.534 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.671 6.649 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.358 8.253 0.446 1.00 0.00 H new ATOM 267 N LEU A 17 2.528 6.836 -1.386 1.00 0.00 N ATOM 268 CA LEU A 17 3.919 6.642 -0.984 1.00 0.00 C ATOM 269 C LEU A 17 4.208 7.314 0.363 1.00 0.00 C ATOM 270 O LEU A 17 3.950 8.501 0.549 1.00 0.00 O ATOM 271 CB LEU A 17 4.876 7.172 -2.064 1.00 0.00 C ATOM 272 CG LEU A 17 4.432 8.426 -2.831 1.00 0.00 C ATOM 273 CD1 LEU A 17 3.378 8.080 -3.874 1.00 0.00 C ATOM 274 CD2 LEU A 17 3.924 9.502 -1.882 1.00 0.00 C ATOM 0 H LEU A 17 2.366 7.691 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 17 4.084 5.571 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.835 7.385 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.046 6.375 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 17 5.304 8.825 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.080 8.985 -4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.790 7.363 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.508 7.644 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.617 10.377 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.072 9.119 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.719 9.782 -1.190 1.00 0.00 H new ATOM 286 N THR A 18 4.735 6.537 1.307 1.00 0.00 N ATOM 287 CA THR A 18 5.049 7.050 2.640 1.00 0.00 C ATOM 288 C THR A 18 6.384 6.504 3.153 1.00 0.00 C ATOM 289 O THR A 18 6.798 5.405 2.781 1.00 0.00 O ATOM 290 CB THR A 18 3.912 6.708 3.618 1.00 0.00 C ATOM 291 OG1 THR A 18 3.474 7.872 4.296 1.00 0.00 O ATOM 292 CG2 THR A 18 4.279 5.679 4.675 1.00 0.00 C ATOM 0 H THR A 18 4.954 5.550 1.174 1.00 0.00 H new ATOM 0 HA THR A 18 5.144 8.134 2.571 1.00 0.00 H new ATOM 0 HB THR A 18 3.130 6.280 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.749 7.638 4.913 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.420 5.498 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.571 4.747 4.190 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.110 6.052 5.273 1.00 0.00 H new ATOM 300 N LYS A 19 7.041 7.268 4.027 1.00 0.00 N ATOM 301 CA LYS A 19 8.311 6.838 4.609 1.00 0.00 C ATOM 302 C LYS A 19 8.140 5.458 5.234 1.00 0.00 C ATOM 303 O LYS A 19 7.121 5.183 5.867 1.00 0.00 O ATOM 304 CB LYS A 19 8.783 7.840 5.665 1.00 0.00 C ATOM 305 CG LYS A 19 8.916 9.261 5.144 1.00 0.00 C ATOM 306 CD LYS A 19 10.293 9.514 4.560 1.00 0.00 C ATOM 307 CE LYS A 19 11.390 9.323 5.596 1.00 0.00 C ATOM 308 NZ LYS A 19 12.293 10.502 5.676 1.00 0.00 N ATOM 0 H LYS A 19 6.717 8.181 4.345 1.00 0.00 H new ATOM 0 HA LYS A 19 9.064 6.789 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.081 7.833 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.747 7.515 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.158 9.442 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.729 9.965 5.954 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.462 8.837 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.339 10.529 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.939 9.145 6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.973 8.436 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.026 10.330 6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.743 10.658 4.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.742 11.344 5.939 1.00 0.00 H new ATOM 322 N ALA A 20 9.113 4.579 5.028 1.00 0.00 N ATOM 323 CA ALA A 20 9.015 3.222 5.553 1.00 0.00 C ATOM 324 C ALA A 20 10.139 2.853 6.512 1.00 0.00 C ATOM 325 O ALA A 20 10.232 1.708 6.944 1.00 0.00 O ATOM 326 CB ALA A 20 8.969 2.242 4.400 1.00 0.00 C ATOM 0 H ALA A 20 9.968 4.777 4.508 1.00 0.00 H new ATOM 0 HA ALA A 20 8.096 3.173 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.896 1.226 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.101 2.455 3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.877 2.338 3.804 1.00 0.00 H new ATOM 332 N VAL A 21 10.979 3.814 6.849 1.00 0.00 N ATOM 333 CA VAL A 21 12.092 3.575 7.770 1.00 0.00 C ATOM 334 C VAL A 21 12.993 2.430 7.295 1.00 0.00 C ATOM 335 O VAL A 21 14.103 2.665 6.816 1.00 0.00 O ATOM 336 CB VAL A 21 11.581 3.260 9.191 1.00 0.00 C ATOM 337 CG1 VAL A 21 12.742 3.166 10.171 1.00 0.00 C ATOM 338 CG2 VAL A 21 10.580 4.313 9.642 1.00 0.00 C ATOM 0 H VAL A 21 10.918 4.771 6.502 1.00 0.00 H new ATOM 0 HA VAL A 21 12.679 4.493 7.791 1.00 0.00 H new ATOM 0 HB VAL A 21 11.076 2.294 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.360 2.943 11.167 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.420 2.373 9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.278 4.115 10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.230 4.075 10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.059 5.292 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.733 4.327 8.956 1.00 0.00 H new ATOM 348 N ASP A 22 12.516 1.191 7.432 1.00 0.00 N ATOM 349 CA ASP A 22 13.280 0.021 7.022 1.00 0.00 C ATOM 350 C ASP A 22 12.519 -0.779 5.961 1.00 0.00 C ATOM 351 O ASP A 22 11.640 -0.249 5.282 1.00 0.00 O ATOM 352 CB ASP A 22 13.583 -0.859 8.237 1.00 0.00 C ATOM 353 CG ASP A 22 14.041 -0.055 9.439 1.00 0.00 C ATOM 354 OD1 ASP A 22 14.728 0.969 9.239 1.00 0.00 O ATOM 355 OD2 ASP A 22 13.712 -0.448 10.577 1.00 0.00 O ATOM 0 H ASP A 22 11.600 0.976 7.826 1.00 0.00 H new ATOM 0 HA ASP A 22 14.221 0.357 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.691 -1.426 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.354 -1.583 7.974 1.00 0.00 H new ATOM 360 N ALA A 23 12.865 -2.055 5.829 1.00 0.00 N ATOM 361 CA ALA A 23 12.224 -2.934 4.853 1.00 0.00 C ATOM 362 C ALA A 23 10.963 -3.571 5.424 1.00 0.00 C ATOM 363 O ALA A 23 9.848 -3.210 5.044 1.00 0.00 O ATOM 364 CB ALA A 23 13.198 -4.007 4.391 1.00 0.00 C ATOM 0 H ALA A 23 13.589 -2.507 6.388 1.00 0.00 H new ATOM 0 HA ALA A 23 11.932 -2.328 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.708 -4.655 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.066 -3.536 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.519 -4.600 5.247 1.00 0.00 H new ATOM 370 N GLU A 24 11.140 -4.513 6.348 1.00 0.00 N ATOM 371 CA GLU A 24 10.005 -5.185 6.976 1.00 0.00 C ATOM 372 C GLU A 24 9.139 -4.174 7.715 1.00 0.00 C ATOM 373 O GLU A 24 7.963 -4.414 7.981 1.00 0.00 O ATOM 374 CB GLU A 24 10.473 -6.265 7.943 1.00 0.00 C ATOM 375 CG GLU A 24 11.461 -7.246 7.334 1.00 0.00 C ATOM 376 CD GLU A 24 10.780 -8.336 6.529 1.00 0.00 C ATOM 377 OE1 GLU A 24 10.444 -8.083 5.354 1.00 0.00 O ATOM 378 OE2 GLU A 24 10.583 -9.442 7.076 1.00 0.00 O ATOM 0 H GLU A 24 12.053 -4.827 6.677 1.00 0.00 H new ATOM 0 HA GLU A 24 9.418 -5.658 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.934 -5.790 8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.605 -6.816 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.155 -6.705 6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.052 -7.702 8.129 1.00 0.00 H new ATOM 385 N THR A 25 9.729 -3.025 8.000 1.00 0.00 N ATOM 386 CA THR A 25 9.030 -1.941 8.655 1.00 0.00 C ATOM 387 C THR A 25 8.101 -1.337 7.631 1.00 0.00 C ATOM 388 O THR A 25 6.965 -0.988 7.924 1.00 0.00 O ATOM 389 CB THR A 25 10.013 -0.892 9.179 1.00 0.00 C ATOM 390 OG1 THR A 25 10.877 -1.457 10.150 1.00 0.00 O ATOM 391 CG2 THR A 25 9.333 0.304 9.810 1.00 0.00 C ATOM 0 H THR A 25 10.705 -2.821 7.783 1.00 0.00 H new ATOM 0 HA THR A 25 8.473 -2.309 9.517 1.00 0.00 H new ATOM 0 HB THR A 25 10.568 -0.553 8.304 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.378 -0.743 10.597 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.087 1.009 10.160 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.696 0.792 9.072 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.725 -0.026 10.653 1.00 0.00 H new ATOM 399 N ALA A 26 8.580 -1.290 6.397 1.00 0.00 N ATOM 400 CA ALA A 26 7.775 -0.813 5.303 1.00 0.00 C ATOM 401 C ALA A 26 6.700 -1.848 5.040 1.00 0.00 C ATOM 402 O ALA A 26 5.623 -1.545 4.534 1.00 0.00 O ATOM 403 CB ALA A 26 8.634 -0.612 4.064 1.00 0.00 C ATOM 0 H ALA A 26 9.523 -1.578 6.137 1.00 0.00 H new ATOM 0 HA ALA A 26 7.324 0.148 5.551 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.012 -0.251 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.414 0.119 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.092 -1.560 3.781 1.00 0.00 H new ATOM 409 N ARG A 27 7.016 -3.086 5.418 1.00 0.00 N ATOM 410 CA ARG A 27 6.098 -4.196 5.256 1.00 0.00 C ATOM 411 C ARG A 27 5.041 -4.175 6.344 1.00 0.00 C ATOM 412 O ARG A 27 3.866 -4.376 6.067 1.00 0.00 O ATOM 413 CB ARG A 27 6.862 -5.527 5.287 1.00 0.00 C ATOM 414 CG ARG A 27 5.965 -6.750 5.213 1.00 0.00 C ATOM 415 CD ARG A 27 5.323 -6.889 3.844 1.00 0.00 C ATOM 416 NE ARG A 27 5.184 -8.288 3.442 1.00 0.00 N ATOM 417 CZ ARG A 27 5.032 -8.686 2.181 1.00 0.00 C ATOM 418 NH1 ARG A 27 5.000 -7.798 1.194 1.00 0.00 N ATOM 419 NH2 ARG A 27 4.912 -9.977 1.905 1.00 0.00 N ATOM 0 H ARG A 27 7.909 -3.339 5.841 1.00 0.00 H new ATOM 0 HA ARG A 27 5.604 -4.096 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.564 -5.552 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.452 -5.575 6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.548 -7.644 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.188 -6.679 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.341 -6.416 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.925 -6.358 3.106 1.00 0.00 H new ATOM 0 HE ARG A 27 5.205 -9.001 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.092 -6.803 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.883 -8.111 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.936 -10.664 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.795 -10.283 0.939 1.00 0.00 H new ATOM 433 N ASN A 28 5.468 -3.936 7.580 1.00 0.00 N ATOM 434 CA ASN A 28 4.547 -3.910 8.714 1.00 0.00 C ATOM 435 C ASN A 28 4.030 -2.504 9.008 1.00 0.00 C ATOM 436 O ASN A 28 2.836 -2.309 9.215 1.00 0.00 O ATOM 437 CB ASN A 28 5.230 -4.479 9.958 1.00 0.00 C ATOM 438 CG ASN A 28 5.151 -5.991 10.019 1.00 0.00 C ATOM 439 OD1 ASN A 28 4.516 -6.555 10.910 1.00 0.00 O ATOM 440 ND2 ASN A 28 5.797 -6.656 9.068 1.00 0.00 N ATOM 0 H ASN A 28 6.443 -3.758 7.823 1.00 0.00 H new ATOM 0 HA ASN A 28 3.689 -4.527 8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.276 -4.172 9.968 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.766 -4.057 10.849 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.779 -7.676 9.057 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.311 -6.147 8.349 1.00 0.00 H new ATOM 447 N ALA A 29 4.931 -1.531 9.046 1.00 0.00 N ATOM 448 CA ALA A 29 4.556 -0.150 9.339 1.00 0.00 C ATOM 449 C ALA A 29 3.703 0.463 8.236 1.00 0.00 C ATOM 450 O ALA A 29 2.659 1.058 8.507 1.00 0.00 O ATOM 451 CB ALA A 29 5.801 0.696 9.556 1.00 0.00 C ATOM 0 H ALA A 29 5.927 -1.671 8.878 1.00 0.00 H new ATOM 0 HA ALA A 29 3.956 -0.165 10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.509 1.723 9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.372 0.295 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.416 0.676 8.656 1.00 0.00 H new ATOM 457 N PHE A 30 4.161 0.342 6.997 1.00 0.00 N ATOM 458 CA PHE A 30 3.446 0.914 5.868 1.00 0.00 C ATOM 459 C PHE A 30 2.123 0.204 5.612 1.00 0.00 C ATOM 460 O PHE A 30 1.088 0.850 5.467 1.00 0.00 O ATOM 461 CB PHE A 30 4.318 0.852 4.615 1.00 0.00 C ATOM 462 CG PHE A 30 4.005 1.891 3.575 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.072 2.896 3.799 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.661 1.853 2.362 1.00 0.00 C ATOM 465 CE1 PHE A 30 2.811 3.841 2.826 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.402 2.790 1.385 1.00 0.00 C ATOM 467 CZ PHE A 30 3.478 3.786 1.618 1.00 0.00 C ATOM 0 H PHE A 30 5.022 -0.146 6.750 1.00 0.00 H new ATOM 0 HA PHE A 30 3.222 1.952 6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.362 0.958 4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.213 -0.135 4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.547 2.939 4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.389 1.077 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.087 4.621 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.922 2.744 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.276 4.524 0.856 1.00 0.00 H new ATOM 477 N ILE A 31 2.157 -1.123 5.537 1.00 0.00 N ATOM 478 CA ILE A 31 0.964 -1.895 5.278 1.00 0.00 C ATOM 479 C ILE A 31 -0.213 -1.471 6.153 1.00 0.00 C ATOM 480 O ILE A 31 -1.357 -1.505 5.712 1.00 0.00 O ATOM 481 CB ILE A 31 1.256 -3.381 5.465 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.159 -4.221 4.853 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.457 -3.730 6.920 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.710 -5.388 4.083 1.00 0.00 C ATOM 0 H ILE A 31 3.004 -1.680 5.653 1.00 0.00 H new ATOM 0 HA ILE A 31 0.673 -1.704 4.245 1.00 0.00 H new ATOM 0 HB ILE A 31 2.189 -3.603 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.502 -4.585 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.446 -3.602 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.663 -4.796 7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.298 -3.162 7.318 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.555 -3.484 7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.112 -5.965 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.350 -5.024 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.293 -6.022 4.751 1.00 0.00 H new ATOM 496 N GLN A 32 0.067 -1.067 7.388 1.00 0.00 N ATOM 497 CA GLN A 32 -0.995 -0.639 8.297 1.00 0.00 C ATOM 498 C GLN A 32 -1.645 0.642 7.798 1.00 0.00 C ATOM 499 O GLN A 32 -2.869 0.739 7.704 1.00 0.00 O ATOM 500 CB GLN A 32 -0.448 -0.417 9.707 1.00 0.00 C ATOM 501 CG GLN A 32 0.490 -1.513 10.175 1.00 0.00 C ATOM 502 CD GLN A 32 -0.028 -2.246 11.397 1.00 0.00 C ATOM 503 OE1 GLN A 32 0.305 -1.900 12.531 1.00 0.00 O ATOM 504 NE2 GLN A 32 -0.848 -3.267 11.172 1.00 0.00 N ATOM 0 H GLN A 32 1.008 -1.026 7.781 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.743 -1.431 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.078 0.537 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.283 -0.343 10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.640 -2.227 9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.464 -1.079 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.098 -3.519 10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.228 -3.798 11.955 1.00 0.00 H new ATOM 513 N SER A 33 -0.812 1.623 7.476 1.00 0.00 N ATOM 514 CA SER A 33 -1.297 2.901 6.982 1.00 0.00 C ATOM 515 C SER A 33 -1.836 2.753 5.571 1.00 0.00 C ATOM 516 O SER A 33 -2.896 3.285 5.241 1.00 0.00 O ATOM 517 CB SER A 33 -0.183 3.949 7.014 1.00 0.00 C ATOM 518 OG SER A 33 0.019 4.438 8.329 1.00 0.00 O ATOM 0 H SER A 33 0.203 1.556 7.549 1.00 0.00 H new ATOM 0 HA SER A 33 -2.105 3.235 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.742 3.512 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.437 4.775 6.350 1.00 0.00 H new ATOM 0 HG SER A 33 0.737 5.105 8.323 1.00 0.00 H new ATOM 524 N LEU A 34 -1.115 2.007 4.744 1.00 0.00 N ATOM 525 CA LEU A 34 -1.547 1.775 3.379 1.00 0.00 C ATOM 526 C LEU A 34 -2.877 1.046 3.407 1.00 0.00 C ATOM 527 O LEU A 34 -3.781 1.338 2.627 1.00 0.00 O ATOM 528 CB LEU A 34 -0.465 1.002 2.602 1.00 0.00 C ATOM 529 CG LEU A 34 -0.919 -0.115 1.648 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.377 -1.342 2.412 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.007 0.362 0.727 1.00 0.00 C ATOM 0 H LEU A 34 -0.235 1.557 4.995 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.689 2.721 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.109 1.724 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.218 0.563 3.329 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.056 -0.392 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.691 -2.113 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.555 -1.720 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.214 -1.077 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.306 -0.451 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.866 0.686 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.639 1.198 0.132 1.00 0.00 H new ATOM 543 N LYS A 35 -3.013 0.133 4.357 1.00 0.00 N ATOM 544 CA LYS A 35 -4.256 -0.592 4.520 1.00 0.00 C ATOM 545 C LYS A 35 -5.268 0.323 5.180 1.00 0.00 C ATOM 546 O LYS A 35 -6.467 0.230 4.934 1.00 0.00 O ATOM 547 CB LYS A 35 -4.049 -1.849 5.352 1.00 0.00 C ATOM 548 CG LYS A 35 -3.495 -3.008 4.541 1.00 0.00 C ATOM 549 CD LYS A 35 -3.912 -4.348 5.127 1.00 0.00 C ATOM 550 CE LYS A 35 -4.247 -5.353 4.038 1.00 0.00 C ATOM 551 NZ LYS A 35 -4.793 -6.620 4.597 1.00 0.00 N ATOM 0 H LYS A 35 -2.281 -0.120 5.021 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.623 -0.905 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.367 -1.627 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.999 -2.145 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.847 -2.934 3.512 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.407 -2.945 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.108 -4.740 5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.778 -4.209 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.974 -4.916 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.351 -5.570 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.008 -7.278 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.090 -7.051 5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.663 -6.418 5.130 1.00 0.00 H new ATOM 565 N ASP A 36 -4.762 1.237 6.000 1.00 0.00 N ATOM 566 CA ASP A 36 -5.624 2.201 6.665 1.00 0.00 C ATOM 567 C ASP A 36 -6.457 2.939 5.620 1.00 0.00 C ATOM 568 O ASP A 36 -7.570 3.388 5.898 1.00 0.00 O ATOM 569 CB ASP A 36 -4.792 3.196 7.476 1.00 0.00 C ATOM 570 CG ASP A 36 -5.619 3.922 8.520 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.808 4.192 8.252 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.076 4.223 9.604 1.00 0.00 O ATOM 0 H ASP A 36 -3.770 1.329 6.217 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.287 1.673 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.974 2.668 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.342 3.924 6.802 1.00 0.00 H new ATOM 577 N ASP A 37 -5.907 3.046 4.408 1.00 0.00 N ATOM 578 CA ASP A 37 -6.595 3.713 3.308 1.00 0.00 C ATOM 579 C ASP A 37 -7.379 2.709 2.464 1.00 0.00 C ATOM 580 O ASP A 37 -8.557 2.913 2.173 1.00 0.00 O ATOM 581 CB ASP A 37 -5.589 4.461 2.429 1.00 0.00 C ATOM 582 CG ASP A 37 -5.525 5.940 2.757 1.00 0.00 C ATOM 583 OD1 ASP A 37 -4.962 6.291 3.816 1.00 0.00 O ATOM 584 OD2 ASP A 37 -6.036 6.749 1.954 1.00 0.00 O ATOM 0 H ASP A 37 -4.987 2.678 4.167 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.299 4.428 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.600 4.020 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.862 4.335 1.381 1.00 0.00 H new ATOM 589 N GLY A 38 -6.712 1.625 2.072 1.00 0.00 N ATOM 590 CA GLY A 38 -7.360 0.603 1.262 1.00 0.00 C ATOM 591 C GLY A 38 -7.058 -0.803 1.748 1.00 0.00 C ATOM 592 O GLY A 38 -6.599 -1.649 0.981 1.00 0.00 O ATOM 0 H GLY A 38 -5.736 1.435 2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.438 0.764 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.034 0.704 0.227 1.00 0.00 H new ATOM 596 N VAL A 39 -7.312 -1.045 3.028 1.00 0.00 N ATOM 597 CA VAL A 39 -7.066 -2.351 3.641 1.00 0.00 C ATOM 598 C VAL A 39 -7.682 -3.487 2.825 1.00 0.00 C ATOM 599 O VAL A 39 -7.068 -4.539 2.654 1.00 0.00 O ATOM 600 CB VAL A 39 -7.624 -2.415 5.084 1.00 0.00 C ATOM 601 CG1 VAL A 39 -8.922 -1.629 5.211 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.834 -3.860 5.514 1.00 0.00 C ATOM 0 H VAL A 39 -7.692 -0.349 3.670 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.983 -2.476 3.665 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.888 -1.957 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.288 -1.694 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.742 -0.585 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.667 -2.045 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.226 -3.884 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.543 -4.341 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.883 -4.392 5.480 1.00 0.00 H new ATOM 612 N GLN A 40 -8.907 -3.268 2.359 1.00 0.00 N ATOM 613 CA GLN A 40 -9.661 -4.262 1.578 1.00 0.00 C ATOM 614 C GLN A 40 -8.760 -5.139 0.713 1.00 0.00 C ATOM 615 O GLN A 40 -9.080 -6.296 0.439 1.00 0.00 O ATOM 616 CB GLN A 40 -10.683 -3.566 0.675 1.00 0.00 C ATOM 617 CG GLN A 40 -11.289 -2.311 1.280 1.00 0.00 C ATOM 618 CD GLN A 40 -12.497 -1.823 0.517 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.639 -2.039 0.930 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.258 -1.159 -0.605 1.00 0.00 N ATOM 0 H GLN A 40 -9.413 -2.395 2.509 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.164 -4.904 2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.202 -3.306 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.484 -4.268 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.573 -2.511 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.536 -1.523 1.303 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.297 -1.002 -0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.035 -0.805 -1.163 1.00 0.00 H new ATOM 629 N GLY A 41 -7.642 -4.580 0.277 1.00 0.00 N ATOM 630 CA GLY A 41 -6.722 -5.325 -0.564 1.00 0.00 C ATOM 631 C GLY A 41 -5.433 -5.703 0.138 1.00 0.00 C ATOM 632 O GLY A 41 -5.069 -5.113 1.155 1.00 0.00 O ATOM 0 H GLY A 41 -7.353 -3.625 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.215 -6.232 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.485 -4.730 -1.446 1.00 0.00 H new ATOM 636 N VAL A 42 -4.731 -6.677 -0.430 1.00 0.00 N ATOM 637 CA VAL A 42 -3.453 -7.133 0.111 1.00 0.00 C ATOM 638 C VAL A 42 -2.356 -6.850 -0.903 1.00 0.00 C ATOM 639 O VAL A 42 -2.561 -7.045 -2.100 1.00 0.00 O ATOM 640 CB VAL A 42 -3.478 -8.639 0.445 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.645 -9.469 -0.818 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.213 -9.039 1.191 1.00 0.00 C ATOM 0 H VAL A 42 -5.027 -7.170 -1.272 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.261 -6.593 1.038 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.334 -8.833 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.660 -10.528 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.582 -9.202 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.813 -9.273 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.247 -10.104 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.342 -8.828 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.143 -8.471 2.119 1.00 0.00 H new ATOM 652 N TRP A 43 -1.210 -6.345 -0.454 1.00 0.00 N ATOM 653 CA TRP A 43 -0.156 -6.008 -1.400 1.00 0.00 C ATOM 654 C TRP A 43 0.919 -7.064 -1.577 1.00 0.00 C ATOM 655 O TRP A 43 1.154 -7.917 -0.721 1.00 0.00 O ATOM 656 CB TRP A 43 0.496 -4.663 -1.057 1.00 0.00 C ATOM 657 CG TRP A 43 1.451 -4.660 0.113 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.208 -5.688 0.611 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.760 -3.525 0.915 1.00 0.00 C ATOM 660 NE1 TRP A 43 2.963 -5.247 1.671 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.703 -3.919 1.876 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.324 -2.208 0.907 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.216 -3.032 2.817 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.832 -1.329 1.840 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.766 -1.739 2.780 1.00 0.00 C ATOM 0 H TRP A 43 -0.993 -6.165 0.526 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.674 -5.944 -2.357 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.033 -4.309 -1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.295 -3.941 -0.854 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.211 -6.697 0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.611 -5.816 2.216 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.597 -1.876 0.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.942 -3.351 3.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.497 -0.302 1.839 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.145 -1.025 3.496 1.00 0.00 H new ATOM 676 N THR A 44 1.590 -6.934 -2.714 1.00 0.00 N ATOM 677 CA THR A 44 2.705 -7.776 -3.096 1.00 0.00 C ATOM 678 C THR A 44 3.837 -6.861 -3.533 1.00 0.00 C ATOM 679 O THR A 44 3.839 -6.360 -4.657 1.00 0.00 O ATOM 680 CB THR A 44 2.312 -8.731 -4.219 1.00 0.00 C ATOM 681 OG1 THR A 44 1.167 -8.259 -4.907 1.00 0.00 O ATOM 682 CG2 THR A 44 2.009 -10.117 -3.711 1.00 0.00 C ATOM 0 H THR A 44 1.365 -6.222 -3.409 1.00 0.00 H new ATOM 0 HA THR A 44 3.018 -8.394 -2.254 1.00 0.00 H new ATOM 0 HB THR A 44 3.170 -8.776 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.934 -8.886 -5.623 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.734 -10.759 -4.548 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.891 -10.524 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.182 -10.072 -3.002 1.00 0.00 H new ATOM 690 N TYR A 45 4.759 -6.590 -2.623 1.00 0.00 N ATOM 691 CA TYR A 45 5.853 -5.671 -2.914 1.00 0.00 C ATOM 692 C TYR A 45 7.094 -6.380 -3.438 1.00 0.00 C ATOM 693 O TYR A 45 7.414 -7.498 -3.037 1.00 0.00 O ATOM 694 CB TYR A 45 6.175 -4.826 -1.672 1.00 0.00 C ATOM 695 CG TYR A 45 7.640 -4.521 -1.443 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.565 -5.524 -1.161 1.00 0.00 C ATOM 697 CD2 TYR A 45 8.092 -3.210 -1.504 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.896 -5.224 -0.950 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.423 -2.905 -1.294 1.00 0.00 C ATOM 700 CZ TYR A 45 10.320 -3.915 -1.018 1.00 0.00 C ATOM 701 OH TYR A 45 11.646 -3.614 -0.808 1.00 0.00 O ATOM 0 H TYR A 45 4.774 -6.988 -1.684 1.00 0.00 H new ATOM 0 HA TYR A 45 5.521 -5.011 -3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.635 -3.882 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.790 -5.344 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.236 -6.551 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.392 -2.416 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.602 -6.012 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.759 -1.880 -1.346 1.00 0.00 H new ATOM 0 HH TYR A 45 11.794 -2.659 -0.971 1.00 0.00 H new ATOM 711 N ASP A 46 7.794 -5.688 -4.330 1.00 0.00 N ATOM 712 CA ASP A 46 9.017 -6.196 -4.923 1.00 0.00 C ATOM 713 C ASP A 46 10.221 -5.492 -4.314 1.00 0.00 C ATOM 714 O ASP A 46 10.093 -4.414 -3.729 1.00 0.00 O ATOM 715 CB ASP A 46 8.994 -5.972 -6.431 1.00 0.00 C ATOM 716 CG ASP A 46 9.351 -7.227 -7.204 1.00 0.00 C ATOM 717 OD1 ASP A 46 10.095 -8.072 -6.663 1.00 0.00 O ATOM 718 OD2 ASP A 46 8.886 -7.365 -8.356 1.00 0.00 O ATOM 0 H ASP A 46 7.527 -4.760 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 46 9.091 -7.265 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.002 -5.633 -6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.694 -5.177 -6.689 1.00 0.00 H new ATOM 723 N ASP A 47 11.390 -6.094 -4.475 1.00 0.00 N ATOM 724 CA ASP A 47 12.622 -5.520 -3.963 1.00 0.00 C ATOM 725 C ASP A 47 13.294 -4.737 -5.071 1.00 0.00 C ATOM 726 O ASP A 47 13.905 -3.692 -4.847 1.00 0.00 O ATOM 727 CB ASP A 47 13.543 -6.632 -3.472 1.00 0.00 C ATOM 728 CG ASP A 47 13.912 -6.482 -2.010 1.00 0.00 C ATOM 729 OD1 ASP A 47 13.144 -6.966 -1.150 1.00 0.00 O ATOM 730 OD2 ASP A 47 14.968 -5.882 -1.723 1.00 0.00 O ATOM 0 H ASP A 47 11.510 -6.984 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 47 12.403 -4.855 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.055 -7.595 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.452 -6.637 -4.073 1.00 0.00 H new ATOM 735 N ALA A 48 13.142 -5.259 -6.268 1.00 0.00 N ATOM 736 CA ALA A 48 13.691 -4.649 -7.459 1.00 0.00 C ATOM 737 C ALA A 48 13.118 -3.255 -7.656 1.00 0.00 C ATOM 738 O ALA A 48 13.804 -2.338 -8.107 1.00 0.00 O ATOM 739 CB ALA A 48 13.354 -5.525 -8.648 1.00 0.00 C ATOM 0 H ALA A 48 12.631 -6.124 -6.444 1.00 0.00 H new ATOM 0 HA ALA A 48 14.772 -4.557 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.761 -5.079 -9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.787 -6.515 -8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.271 -5.612 -8.741 1.00 0.00 H new ATOM 745 N THR A 49 11.844 -3.122 -7.325 1.00 0.00 N ATOM 746 CA THR A 49 11.140 -1.853 -7.461 1.00 0.00 C ATOM 747 C THR A 49 11.041 -1.132 -6.121 1.00 0.00 C ATOM 748 O THR A 49 11.130 0.094 -6.059 1.00 0.00 O ATOM 749 CB THR A 49 9.740 -2.089 -8.028 1.00 0.00 C ATOM 750 OG1 THR A 49 8.867 -2.568 -7.021 1.00 0.00 O ATOM 751 CG2 THR A 49 9.716 -3.082 -9.160 1.00 0.00 C ATOM 0 H THR A 49 11.271 -3.882 -6.958 1.00 0.00 H new ATOM 0 HA THR A 49 11.707 -1.223 -8.146 1.00 0.00 H new ATOM 0 HB THR A 49 9.414 -1.120 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.270 -1.845 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.693 -3.203 -9.516 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.343 -2.720 -9.975 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.094 -4.042 -8.810 1.00 0.00 H new ATOM 759 N LYS A 50 10.841 -1.903 -5.052 1.00 0.00 N ATOM 760 CA LYS A 50 10.712 -1.346 -3.706 1.00 0.00 C ATOM 761 C LYS A 50 9.323 -0.758 -3.520 1.00 0.00 C ATOM 762 O LYS A 50 9.144 0.286 -2.884 1.00 0.00 O ATOM 763 CB LYS A 50 11.764 -0.269 -3.458 1.00 0.00 C ATOM 764 CG LYS A 50 13.145 -0.634 -3.979 1.00 0.00 C ATOM 765 CD LYS A 50 14.137 -0.831 -2.845 1.00 0.00 C ATOM 766 CE LYS A 50 15.512 -0.290 -3.206 1.00 0.00 C ATOM 767 NZ LYS A 50 15.509 1.194 -3.327 1.00 0.00 N ATOM 0 H LYS A 50 10.765 -2.919 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 50 10.866 -2.151 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.440 0.659 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.828 -0.076 -2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.082 -1.547 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.503 0.152 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.771 -0.329 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.213 -1.892 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.232 -0.591 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.840 -0.731 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.474 1.556 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.174 1.464 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.877 1.600 -2.607 1.00 0.00 H new ATOM 781 N THR A 51 8.348 -1.428 -4.104 1.00 0.00 N ATOM 782 CA THR A 51 6.969 -0.980 -4.037 1.00 0.00 C ATOM 783 C THR A 51 6.018 -2.140 -3.787 1.00 0.00 C ATOM 784 O THR A 51 6.297 -3.272 -4.172 1.00 0.00 O ATOM 785 CB THR A 51 6.599 -0.277 -5.339 1.00 0.00 C ATOM 786 OG1 THR A 51 7.538 -0.574 -6.357 1.00 0.00 O ATOM 787 CG2 THR A 51 6.536 1.223 -5.199 1.00 0.00 C ATOM 0 H THR A 51 8.486 -2.289 -4.633 1.00 0.00 H new ATOM 0 HA THR A 51 6.876 -0.286 -3.201 1.00 0.00 H new ATOM 0 HB THR A 51 5.608 -0.649 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.281 -0.114 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.268 1.667 -6.158 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.785 1.488 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.509 1.600 -4.883 1.00 0.00 H new ATOM 795 N PHE A 52 4.881 -1.840 -3.166 1.00 0.00 N ATOM 796 CA PHE A 52 3.868 -2.849 -2.893 1.00 0.00 C ATOM 797 C PHE A 52 2.560 -2.464 -3.563 1.00 0.00 C ATOM 798 O PHE A 52 2.272 -1.284 -3.743 1.00 0.00 O ATOM 799 CB PHE A 52 3.638 -3.053 -1.382 1.00 0.00 C ATOM 800 CG PHE A 52 4.590 -2.318 -0.470 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.751 -0.945 -0.552 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.333 -3.017 0.469 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.635 -0.288 0.281 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.211 -2.367 1.305 1.00 0.00 C ATOM 805 CZ PHE A 52 6.366 -1.003 1.210 1.00 0.00 C ATOM 0 H PHE A 52 4.640 -0.903 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 52 4.232 -3.792 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.621 -2.742 -1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.705 -4.119 -1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.179 -0.382 -1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.221 -4.088 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.755 0.783 0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.778 -2.926 2.035 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.059 -0.491 1.862 1.00 0.00 H new ATOM 815 N THR A 53 1.771 -3.458 -3.941 1.00 0.00 N ATOM 816 CA THR A 53 0.506 -3.207 -4.590 1.00 0.00 C ATOM 817 C THR A 53 -0.624 -3.882 -3.812 1.00 0.00 C ATOM 818 O THR A 53 -0.820 -5.089 -3.936 1.00 0.00 O ATOM 819 CB THR A 53 0.562 -3.726 -6.028 1.00 0.00 C ATOM 820 OG1 THR A 53 1.414 -2.921 -6.824 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.785 -3.769 -6.697 1.00 0.00 C ATOM 0 H THR A 53 1.990 -4.445 -3.807 1.00 0.00 H new ATOM 0 HA THR A 53 0.311 -2.135 -4.611 1.00 0.00 H new ATOM 0 HB THR A 53 0.945 -4.744 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.436 -3.273 -7.739 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.674 -4.146 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.449 -4.427 -6.136 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.209 -2.765 -6.727 1.00 0.00 H new ATOM 829 N VAL A 54 -1.364 -3.106 -3.015 1.00 0.00 N ATOM 830 CA VAL A 54 -2.458 -3.664 -2.224 1.00 0.00 C ATOM 831 C VAL A 54 -3.665 -3.957 -3.108 1.00 0.00 C ATOM 832 O VAL A 54 -4.481 -3.085 -3.395 1.00 0.00 O ATOM 833 CB VAL A 54 -2.846 -2.732 -1.042 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.347 -2.697 -0.794 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.132 -3.168 0.222 1.00 0.00 C ATOM 0 H VAL A 54 -1.226 -2.102 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.110 -4.603 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.536 -1.724 -1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.562 -2.031 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.855 -2.334 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.700 -3.701 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.411 -2.508 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.416 -4.192 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.054 -3.118 0.067 1.00 0.00 H new ATOM 845 N GLN A 55 -3.754 -5.201 -3.541 1.00 0.00 N ATOM 846 CA GLN A 55 -4.840 -5.632 -4.405 1.00 0.00 C ATOM 847 C GLN A 55 -5.851 -6.477 -3.641 1.00 0.00 C ATOM 848 O GLN A 55 -5.490 -7.428 -2.947 1.00 0.00 O ATOM 849 CB GLN A 55 -4.279 -6.431 -5.579 1.00 0.00 C ATOM 850 CG GLN A 55 -3.461 -5.607 -6.557 1.00 0.00 C ATOM 851 CD GLN A 55 -3.468 -6.191 -7.957 1.00 0.00 C ATOM 852 OE1 GLN A 55 -4.503 -6.225 -8.623 1.00 0.00 O ATOM 853 NE2 GLN A 55 -2.309 -6.656 -8.409 1.00 0.00 N ATOM 0 H GLN A 55 -3.085 -5.934 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.352 -4.745 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.657 -7.237 -5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.106 -6.896 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.854 -4.591 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.433 -5.540 -6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.476 -6.607 -7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.252 -7.062 -9.343 1.00 0.00 H new ATOM 862 N ALA A 56 -7.122 -6.123 -3.780 1.00 0.00 N ATOM 863 CA ALA A 56 -8.198 -6.844 -3.112 1.00 0.00 C ATOM 864 C ALA A 56 -8.910 -7.783 -4.079 1.00 0.00 C ATOM 865 O ALA A 56 -9.428 -7.293 -5.104 1.00 0.00 O ATOM 866 CB ALA A 56 -9.189 -5.867 -2.497 1.00 0.00 C ATOM 867 OXT ALA A 56 -8.944 -9.001 -3.804 1.00 0.00 O ATOM 0 H ALA A 56 -7.434 -5.338 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.759 -7.446 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.987 -6.421 -2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.676 -5.239 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.615 -5.240 -3.280 1.00 0.00 H new