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 89:sc= 1 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.11 USER MOD Set 2.1: A 14 TYR OH : rot -85:sc= 0.548 USER MOD Set 2.2: A 16 THR OG1 : rot -141:sc= 0.729! USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -6.46! C(o=-6.5!,f=-15!) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.105 (180deg=-0.778) USER MOD Single : A 10 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.18) USER MOD Single : A 11 ASN : amide:sc= -0.05 X(o=-0.05,f=0) 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 -150:sc= -1.39 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0094) 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 110:sc= -0.182 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.87 USER MOD Single : A 55 GLN : amide:sc= -1.22! C(o=-1.2!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 41 N TYR A 3 9.486 4.175 -0.115 1.00 0.00 N ATOM 42 CA TYR A 3 8.596 3.140 -0.626 1.00 0.00 C ATOM 43 C TYR A 3 7.263 3.726 -1.066 1.00 0.00 C ATOM 44 O TYR A 3 6.810 4.741 -0.537 1.00 0.00 O ATOM 45 CB TYR A 3 8.367 2.058 0.425 1.00 0.00 C ATOM 46 CG TYR A 3 9.604 1.252 0.749 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.753 1.865 1.231 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.621 -0.126 0.573 1.00 0.00 C ATOM 49 CE1 TYR A 3 11.883 1.129 1.529 1.00 0.00 C ATOM 50 CE2 TYR A 3 10.747 -0.870 0.869 1.00 0.00 C ATOM 51 CZ TYR A 3 11.876 -0.237 1.345 1.00 0.00 C ATOM 52 OH TYR A 3 13.000 -0.975 1.642 1.00 0.00 O ATOM 0 HA TYR A 3 9.078 2.693 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.999 2.524 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.586 1.383 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.763 2.935 1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.739 -0.624 0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.768 1.621 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.743 -1.941 0.728 1.00 0.00 H new ATOM 0 HH TYR A 3 12.828 -1.922 1.457 1.00 0.00 H new ATOM 62 N LEU A 4 6.644 3.076 -2.041 1.00 0.00 N ATOM 63 CA LEU A 4 5.360 3.520 -2.566 1.00 0.00 C ATOM 64 C LEU A 4 4.416 2.335 -2.703 1.00 0.00 C ATOM 65 O LEU A 4 4.847 1.236 -3.050 1.00 0.00 O ATOM 66 CB LEU A 4 5.563 4.194 -3.929 1.00 0.00 C ATOM 67 CG LEU A 4 4.296 4.718 -4.621 1.00 0.00 C ATOM 68 CD1 LEU A 4 3.490 3.568 -5.203 1.00 0.00 C ATOM 69 CD2 LEU A 4 3.448 5.539 -3.660 1.00 0.00 C ATOM 0 H LEU A 4 7.012 2.235 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 4 4.921 4.240 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.253 5.028 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.047 3.480 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 4 4.603 5.371 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.596 3.959 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.096 3.033 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.199 2.886 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.557 5.898 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.152 4.918 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.026 6.390 -3.300 1.00 0.00 H new ATOM 81 N VAL A 5 3.125 2.548 -2.450 1.00 0.00 N ATOM 82 CA VAL A 5 2.170 1.456 -2.581 1.00 0.00 C ATOM 83 C VAL A 5 1.055 1.809 -3.552 1.00 0.00 C ATOM 84 O VAL A 5 0.646 2.961 -3.642 1.00 0.00 O ATOM 85 CB VAL A 5 1.544 1.019 -1.232 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.437 1.942 -0.783 1.00 0.00 C ATOM 87 CG2 VAL A 5 0.996 -0.376 -1.368 1.00 0.00 C ATOM 0 H VAL A 5 2.727 3.442 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 5 2.748 0.616 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 5 2.331 1.057 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.033 1.591 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.832 2.950 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.354 1.952 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.555 -0.687 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.234 -0.393 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.802 -1.059 -1.635 1.00 0.00 H new ATOM 97 N VAL A 6 0.562 0.802 -4.265 1.00 0.00 N ATOM 98 CA VAL A 6 -0.517 0.985 -5.217 1.00 0.00 C ATOM 99 C VAL A 6 -1.543 -0.139 -5.091 1.00 0.00 C ATOM 100 O VAL A 6 -1.255 -1.303 -5.353 1.00 0.00 O ATOM 101 CB VAL A 6 0.022 1.056 -6.661 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.199 2.016 -6.742 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.435 -0.323 -7.147 1.00 0.00 C ATOM 0 H VAL A 6 0.900 -0.158 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.006 1.932 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.776 1.425 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.567 2.054 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.879 3.011 -6.434 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.996 1.671 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.812 -0.251 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.216 -0.719 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.427 -0.990 -7.125 1.00 0.00 H new ATOM 113 N ASN A 7 -2.739 0.230 -4.676 1.00 0.00 N ATOM 114 CA ASN A 7 -3.819 -0.733 -4.490 1.00 0.00 C ATOM 115 C ASN A 7 -4.598 -0.953 -5.782 1.00 0.00 C ATOM 116 O ASN A 7 -5.036 0.005 -6.421 1.00 0.00 O ATOM 117 CB ASN A 7 -4.759 -0.244 -3.372 1.00 0.00 C ATOM 118 CG ASN A 7 -6.128 -0.913 -3.376 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.411 -1.800 -4.182 1.00 0.00 O ATOM 120 ND2 ASN A 7 -6.992 -0.484 -2.462 1.00 0.00 N ATOM 0 H ASN A 7 -2.993 1.194 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.382 -1.690 -4.204 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.283 -0.421 -2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.892 0.833 -3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.926 -0.892 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.722 0.253 -1.811 1.00 0.00 H new ATOM 127 N LYS A 8 -4.788 -2.220 -6.157 1.00 0.00 N ATOM 128 CA LYS A 8 -5.540 -2.530 -7.367 1.00 0.00 C ATOM 129 C LYS A 8 -6.500 -3.696 -7.135 1.00 0.00 C ATOM 130 O LYS A 8 -6.083 -4.822 -6.886 1.00 0.00 O ATOM 131 CB LYS A 8 -4.588 -2.846 -8.525 1.00 0.00 C ATOM 132 CG LYS A 8 -5.297 -3.202 -9.823 1.00 0.00 C ATOM 133 CD LYS A 8 -5.648 -1.962 -10.619 1.00 0.00 C ATOM 134 CE LYS A 8 -4.896 -1.903 -11.940 1.00 0.00 C ATOM 135 NZ LYS A 8 -3.430 -2.108 -11.743 1.00 0.00 N ATOM 0 H LYS A 8 -4.437 -3.032 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.130 -1.652 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.943 -1.984 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.942 -3.675 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.659 -3.852 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.205 -3.763 -9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.721 -1.946 -10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.416 -1.075 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.284 -2.666 -12.615 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.069 -0.938 -12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.904 -1.564 -12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.159 -1.785 -10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.204 -3.118 -11.843 1.00 0.00 H new ATOM 149 N GLY A 9 -7.794 -3.414 -7.228 1.00 0.00 N ATOM 150 CA GLY A 9 -8.791 -4.447 -7.027 1.00 0.00 C ATOM 151 C GLY A 9 -9.725 -4.572 -8.221 1.00 0.00 C ATOM 152 O GLY A 9 -9.275 -4.776 -9.349 1.00 0.00 O ATOM 0 H GLY A 9 -8.170 -2.489 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.295 -5.402 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.372 -4.222 -6.133 1.00 0.00 H new ATOM 156 N GLN A 10 -11.023 -4.446 -7.973 1.00 0.00 N ATOM 157 CA GLN A 10 -12.013 -4.545 -9.036 1.00 0.00 C ATOM 158 C GLN A 10 -12.697 -3.200 -9.272 1.00 0.00 C ATOM 159 O GLN A 10 -13.115 -2.894 -10.383 1.00 0.00 O ATOM 160 CB GLN A 10 -13.061 -5.607 -8.693 1.00 0.00 C ATOM 161 CG GLN A 10 -12.477 -7.005 -8.529 1.00 0.00 C ATOM 162 CD GLN A 10 -11.675 -7.446 -9.738 1.00 0.00 C ATOM 163 OE1 GLN A 10 -10.541 -7.898 -9.615 1.00 0.00 O ATOM 164 NE2 GLN A 10 -12.270 -7.312 -10.923 1.00 0.00 N ATOM 0 H GLN A 10 -11.413 -4.275 -7.046 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.496 -4.836 -9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.567 -5.322 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.817 -5.627 -9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.838 -7.027 -7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.286 -7.715 -8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.215 -6.931 -10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.781 -7.590 -11.774 1.00 0.00 H new ATOM 173 N ASN A 11 -12.799 -2.405 -8.207 1.00 0.00 N ATOM 174 CA ASN A 11 -13.437 -1.096 -8.302 1.00 0.00 C ATOM 175 C ASN A 11 -12.844 -0.129 -7.273 1.00 0.00 C ATOM 176 O ASN A 11 -13.579 0.596 -6.603 1.00 0.00 O ATOM 177 CB ASN A 11 -14.940 -1.238 -8.078 1.00 0.00 C ATOM 178 CG ASN A 11 -15.734 -0.121 -8.722 1.00 0.00 C ATOM 179 OD1 ASN A 11 -16.007 -0.154 -9.919 1.00 0.00 O ATOM 180 ND2 ASN A 11 -16.102 0.876 -7.926 1.00 0.00 N ATOM 0 H ASN A 11 -12.451 -2.643 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.256 -0.692 -9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.274 -2.195 -8.480 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.144 -1.253 -7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -16.635 1.659 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -15.851 0.858 -6.937 1.00 0.00 H new ATOM 187 N ALA A 12 -11.522 -0.123 -7.156 1.00 0.00 N ATOM 188 CA ALA A 12 -10.847 0.758 -6.202 1.00 0.00 C ATOM 189 C ALA A 12 -9.344 0.803 -6.443 1.00 0.00 C ATOM 190 O ALA A 12 -8.677 -0.231 -6.488 1.00 0.00 O ATOM 191 CB ALA A 12 -11.147 0.315 -4.782 1.00 0.00 C ATOM 0 H ALA A 12 -10.896 -0.713 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.230 1.768 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.640 0.977 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.222 0.356 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.794 -0.706 -4.637 1.00 0.00 H new ATOM 197 N PHE A 13 -8.814 2.014 -6.588 1.00 0.00 N ATOM 198 CA PHE A 13 -7.390 2.213 -6.819 1.00 0.00 C ATOM 199 C PHE A 13 -6.833 3.258 -5.855 1.00 0.00 C ATOM 200 O PHE A 13 -7.223 4.423 -5.894 1.00 0.00 O ATOM 201 CB PHE A 13 -7.132 2.647 -8.261 1.00 0.00 C ATOM 202 CG PHE A 13 -5.692 2.565 -8.672 1.00 0.00 C ATOM 203 CD1 PHE A 13 -4.773 3.495 -8.212 1.00 0.00 C ATOM 204 CD2 PHE A 13 -5.251 1.555 -9.513 1.00 0.00 C ATOM 205 CE1 PHE A 13 -3.444 3.421 -8.585 1.00 0.00 C ATOM 206 CE2 PHE A 13 -3.930 1.479 -9.895 1.00 0.00 C ATOM 207 CZ PHE A 13 -3.018 2.410 -9.424 1.00 0.00 C ATOM 0 H PHE A 13 -9.356 2.877 -6.549 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.883 1.264 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.726 2.024 -8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.478 3.673 -8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.099 4.287 -7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.953 0.818 -9.874 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.739 4.153 -8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.605 0.694 -10.562 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.979 2.345 -9.712 1.00 0.00 H new ATOM 217 N TYR A 14 -5.922 2.827 -4.982 1.00 0.00 N ATOM 218 CA TYR A 14 -5.322 3.724 -4.001 1.00 0.00 C ATOM 219 C TYR A 14 -3.817 3.471 -3.884 1.00 0.00 C ATOM 220 O TYR A 14 -3.391 2.347 -3.634 1.00 0.00 O ATOM 221 CB TYR A 14 -6.004 3.529 -2.640 1.00 0.00 C ATOM 222 CG TYR A 14 -5.089 3.736 -1.456 1.00 0.00 C ATOM 223 CD1 TYR A 14 -4.615 5.002 -1.141 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.689 2.667 -0.661 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.771 5.198 -0.067 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.850 2.862 0.413 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.394 4.124 0.707 1.00 0.00 C ATOM 228 OH TYR A 14 -2.560 4.315 1.786 1.00 0.00 O ATOM 0 H TYR A 14 -5.586 1.865 -4.936 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.467 4.753 -4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.842 4.222 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.418 2.522 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.911 5.846 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.041 1.672 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.408 6.188 0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.551 2.023 1.024 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.628 4.310 1.484 1.00 0.00 H new ATOM 238 N GLU A 15 -3.015 4.517 -4.050 1.00 0.00 N ATOM 239 CA GLU A 15 -1.570 4.383 -3.952 1.00 0.00 C ATOM 240 C GLU A 15 -0.963 5.550 -3.171 1.00 0.00 C ATOM 241 O GLU A 15 -1.237 6.715 -3.461 1.00 0.00 O ATOM 242 CB GLU A 15 -0.952 4.272 -5.357 1.00 0.00 C ATOM 243 CG GLU A 15 0.133 5.289 -5.657 1.00 0.00 C ATOM 244 CD GLU A 15 0.424 5.421 -7.140 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.183 4.672 -7.935 1.00 0.00 O ATOM 246 OE2 GLU A 15 1.261 6.273 -7.507 1.00 0.00 O ATOM 0 H GLU A 15 -3.341 5.462 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.342 3.469 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.536 3.272 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.745 4.379 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.167 6.260 -5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.047 5.002 -5.137 1.00 0.00 H new ATOM 253 N THR A 16 -0.144 5.227 -2.176 1.00 0.00 N ATOM 254 CA THR A 16 0.496 6.248 -1.353 1.00 0.00 C ATOM 255 C THR A 16 1.950 5.918 -1.022 1.00 0.00 C ATOM 256 O THR A 16 2.275 4.800 -0.630 1.00 0.00 O ATOM 257 CB THR A 16 -0.278 6.450 -0.053 1.00 0.00 C ATOM 258 OG1 THR A 16 -1.065 5.314 0.236 1.00 0.00 O ATOM 259 CG2 THR A 16 -1.191 7.654 -0.081 1.00 0.00 C ATOM 0 H THR A 16 0.092 4.268 -1.920 1.00 0.00 H new ATOM 0 HA THR A 16 0.489 7.164 -1.943 1.00 0.00 H new ATOM 0 HB THR A 16 0.478 6.612 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.926 5.598 0.608 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.711 7.739 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.601 8.554 -0.254 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.921 7.539 -0.882 1.00 0.00 H new ATOM 267 N LEU A 17 2.793 6.929 -1.156 1.00 0.00 N ATOM 268 CA LEU A 17 4.221 6.841 -0.844 1.00 0.00 C ATOM 269 C LEU A 17 4.469 7.313 0.592 1.00 0.00 C ATOM 270 O LEU A 17 4.031 8.399 0.970 1.00 0.00 O ATOM 271 CB LEU A 17 5.010 7.729 -1.808 1.00 0.00 C ATOM 272 CG LEU A 17 6.293 7.119 -2.367 1.00 0.00 C ATOM 273 CD1 LEU A 17 6.426 7.457 -3.842 1.00 0.00 C ATOM 274 CD2 LEU A 17 7.503 7.616 -1.590 1.00 0.00 C ATOM 0 H LEU A 17 2.506 7.849 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 17 4.546 5.806 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.361 7.994 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.264 8.656 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 17 6.245 6.035 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.344 7.019 -4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.571 7.056 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.459 8.539 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.408 7.171 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.565 8.701 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.404 7.332 -0.542 1.00 0.00 H new ATOM 286 N THR A 18 5.154 6.500 1.396 1.00 0.00 N ATOM 287 CA THR A 18 5.421 6.874 2.786 1.00 0.00 C ATOM 288 C THR A 18 6.843 6.527 3.233 1.00 0.00 C ATOM 289 O THR A 18 7.464 5.586 2.724 1.00 0.00 O ATOM 290 CB THR A 18 4.396 6.219 3.722 1.00 0.00 C ATOM 291 OG1 THR A 18 4.046 7.103 4.773 1.00 0.00 O ATOM 292 CG2 THR A 18 4.872 4.925 4.357 1.00 0.00 C ATOM 0 H THR A 18 5.529 5.594 1.116 1.00 0.00 H new ATOM 0 HA THR A 18 5.327 7.958 2.843 1.00 0.00 H new ATOM 0 HB THR A 18 3.543 5.989 3.083 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.391 6.671 5.359 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.089 4.527 5.003 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.102 4.200 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.767 5.118 4.948 1.00 0.00 H new ATOM 300 N LYS A 19 7.333 7.290 4.211 1.00 0.00 N ATOM 301 CA LYS A 19 8.660 7.073 4.781 1.00 0.00 C ATOM 302 C LYS A 19 8.616 5.870 5.719 1.00 0.00 C ATOM 303 O LYS A 19 8.189 5.983 6.867 1.00 0.00 O ATOM 304 CB LYS A 19 9.117 8.321 5.543 1.00 0.00 C ATOM 305 CG LYS A 19 10.486 8.831 5.120 1.00 0.00 C ATOM 306 CD LYS A 19 10.551 9.058 3.623 1.00 0.00 C ATOM 307 CE LYS A 19 11.675 10.014 3.260 1.00 0.00 C ATOM 308 NZ LYS A 19 11.577 10.478 1.849 1.00 0.00 N ATOM 0 H LYS A 19 6.824 8.070 4.627 1.00 0.00 H new ATOM 0 HA LYS A 19 9.371 6.878 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.383 9.114 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.136 8.097 6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.706 9.763 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.251 8.113 5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.702 8.106 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.601 9.460 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.649 10.875 3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.635 9.521 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.362 11.128 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.628 9.659 1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.673 10.972 1.708 1.00 0.00 H new ATOM 322 N ALA A 20 9.016 4.711 5.209 1.00 0.00 N ATOM 323 CA ALA A 20 8.974 3.478 5.990 1.00 0.00 C ATOM 324 C ALA A 20 10.294 3.138 6.674 1.00 0.00 C ATOM 325 O ALA A 20 10.445 2.049 7.219 1.00 0.00 O ATOM 326 CB ALA A 20 8.556 2.333 5.100 1.00 0.00 C ATOM 0 H ALA A 20 9.373 4.598 4.260 1.00 0.00 H new ATOM 0 HA ALA A 20 8.247 3.639 6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.524 1.412 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.568 2.535 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.274 2.224 4.287 1.00 0.00 H new ATOM 332 N VAL A 21 11.233 4.062 6.659 1.00 0.00 N ATOM 333 CA VAL A 21 12.530 3.847 7.300 1.00 0.00 C ATOM 334 C VAL A 21 13.276 2.630 6.735 1.00 0.00 C ATOM 335 O VAL A 21 14.297 2.782 6.065 1.00 0.00 O ATOM 336 CB VAL A 21 12.374 3.670 8.822 1.00 0.00 C ATOM 337 CG1 VAL A 21 13.736 3.668 9.503 1.00 0.00 C ATOM 338 CG2 VAL A 21 11.485 4.762 9.400 1.00 0.00 C ATOM 0 H VAL A 21 11.129 4.973 6.211 1.00 0.00 H new ATOM 0 HA VAL A 21 13.119 4.739 7.087 1.00 0.00 H new ATOM 0 HB VAL A 21 11.897 2.708 9.009 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.605 3.542 10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.337 2.847 9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.242 4.613 9.308 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.387 4.620 10.476 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.931 5.737 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.500 4.713 8.936 1.00 0.00 H new ATOM 348 N ASP A 22 12.776 1.424 7.021 1.00 0.00 N ATOM 349 CA ASP A 22 13.415 0.201 6.553 1.00 0.00 C ATOM 350 C ASP A 22 12.529 -0.551 5.561 1.00 0.00 C ATOM 351 O ASP A 22 11.604 0.016 4.979 1.00 0.00 O ATOM 352 CB ASP A 22 13.754 -0.696 7.747 1.00 0.00 C ATOM 353 CG ASP A 22 15.175 -1.222 7.688 1.00 0.00 C ATOM 354 OD1 ASP A 22 16.111 -0.432 7.929 1.00 0.00 O ATOM 355 OD2 ASP A 22 15.350 -2.426 7.403 1.00 0.00 O ATOM 0 H ASP A 22 11.932 1.274 7.574 1.00 0.00 H new ATOM 0 HA ASP A 22 14.333 0.476 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.615 -0.135 8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.059 -1.535 7.776 1.00 0.00 H new ATOM 360 N ALA A 23 12.830 -1.831 5.373 1.00 0.00 N ATOM 361 CA ALA A 23 12.084 -2.680 4.446 1.00 0.00 C ATOM 362 C ALA A 23 10.877 -3.326 5.119 1.00 0.00 C ATOM 363 O ALA A 23 9.736 -2.938 4.867 1.00 0.00 O ATOM 364 CB ALA A 23 12.997 -3.747 3.862 1.00 0.00 C ATOM 0 H ALA A 23 13.592 -2.309 5.854 1.00 0.00 H new ATOM 0 HA ALA A 23 11.712 -2.046 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.430 -4.373 3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.818 -3.270 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.398 -4.363 4.667 1.00 0.00 H new ATOM 370 N GLU A 24 11.129 -4.313 5.979 1.00 0.00 N ATOM 371 CA GLU A 24 10.047 -4.998 6.685 1.00 0.00 C ATOM 372 C GLU A 24 9.227 -4.001 7.489 1.00 0.00 C ATOM 373 O GLU A 24 8.061 -4.239 7.799 1.00 0.00 O ATOM 374 CB GLU A 24 10.587 -6.086 7.603 1.00 0.00 C ATOM 375 CG GLU A 24 11.526 -7.063 6.913 1.00 0.00 C ATOM 376 CD GLU A 24 12.445 -7.775 7.887 1.00 0.00 C ATOM 377 OE1 GLU A 24 11.952 -8.638 8.644 1.00 0.00 O ATOM 378 OE2 GLU A 24 13.655 -7.469 7.893 1.00 0.00 O ATOM 0 H GLU A 24 12.064 -4.654 6.202 1.00 0.00 H new ATOM 0 HA GLU A 24 9.408 -5.469 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.113 -5.618 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.749 -6.640 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.939 -7.801 6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.127 -6.527 6.178 1.00 0.00 H new ATOM 385 N THR A 25 9.838 -2.862 7.776 1.00 0.00 N ATOM 386 CA THR A 25 9.174 -1.789 8.486 1.00 0.00 C ATOM 387 C THR A 25 8.179 -1.182 7.527 1.00 0.00 C ATOM 388 O THR A 25 7.053 -0.860 7.888 1.00 0.00 O ATOM 389 CB THR A 25 10.179 -0.739 8.961 1.00 0.00 C ATOM 390 OG1 THR A 25 11.426 -1.338 9.268 1.00 0.00 O ATOM 391 CG2 THR A 25 9.721 0.018 10.188 1.00 0.00 C ATOM 0 H THR A 25 10.805 -2.659 7.523 1.00 0.00 H new ATOM 0 HA THR A 25 8.675 -2.169 9.377 1.00 0.00 H new ATOM 0 HB THR A 25 10.271 -0.036 8.133 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.871 -0.824 9.974 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.481 0.746 10.471 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.787 0.535 9.969 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.565 -0.681 11.010 1.00 0.00 H new ATOM 399 N ALA A 26 8.596 -1.100 6.269 1.00 0.00 N ATOM 400 CA ALA A 26 7.732 -0.614 5.221 1.00 0.00 C ATOM 401 C ALA A 26 6.678 -1.674 4.958 1.00 0.00 C ATOM 402 O ALA A 26 5.603 -1.395 4.442 1.00 0.00 O ATOM 403 CB ALA A 26 8.533 -0.328 3.958 1.00 0.00 C ATOM 0 H ALA A 26 9.530 -1.366 5.958 1.00 0.00 H new ATOM 0 HA ALA A 26 7.258 0.319 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.865 0.038 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.290 0.427 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.018 -1.244 3.620 1.00 0.00 H new ATOM 409 N ARG A 27 7.005 -2.903 5.340 1.00 0.00 N ATOM 410 CA ARG A 27 6.095 -4.021 5.171 1.00 0.00 C ATOM 411 C ARG A 27 5.093 -4.065 6.309 1.00 0.00 C ATOM 412 O ARG A 27 3.915 -4.314 6.084 1.00 0.00 O ATOM 413 CB ARG A 27 6.877 -5.335 5.097 1.00 0.00 C ATOM 414 CG ARG A 27 7.852 -5.395 3.931 1.00 0.00 C ATOM 415 CD ARG A 27 7.199 -5.976 2.687 1.00 0.00 C ATOM 416 NE ARG A 27 8.031 -7.000 2.060 1.00 0.00 N ATOM 417 CZ ARG A 27 8.148 -8.244 2.522 1.00 0.00 C ATOM 418 NH1 ARG A 27 7.487 -8.621 3.608 1.00 0.00 N ATOM 419 NH2 ARG A 27 8.928 -9.113 1.892 1.00 0.00 N ATOM 0 H ARG A 27 7.897 -3.147 5.770 1.00 0.00 H new ATOM 0 HA ARG A 27 5.550 -3.887 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.427 -5.474 6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.173 -6.163 5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.223 -4.393 3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.714 -6.002 4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.233 -6.406 2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.007 -5.177 1.971 1.00 0.00 H new ATOM 0 HE ARG A 27 8.552 -6.748 1.220 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.885 -7.957 4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.581 -9.575 3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.437 -8.828 1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.019 -10.066 2.244 1.00 0.00 H new ATOM 433 N ASN A 28 5.567 -3.820 7.525 1.00 0.00 N ATOM 434 CA ASN A 28 4.699 -3.840 8.701 1.00 0.00 C ATOM 435 C ASN A 28 4.110 -2.462 8.999 1.00 0.00 C ATOM 436 O ASN A 28 2.914 -2.333 9.241 1.00 0.00 O ATOM 437 CB ASN A 28 5.473 -4.346 9.918 1.00 0.00 C ATOM 438 CG ASN A 28 4.556 -4.760 11.054 1.00 0.00 C ATOM 439 OD1 ASN A 28 4.029 -3.918 11.780 1.00 0.00 O ATOM 440 ND2 ASN A 28 4.363 -6.064 11.213 1.00 0.00 N ATOM 0 H ASN A 28 6.544 -3.606 7.724 1.00 0.00 H new ATOM 0 HA ASN A 28 3.872 -4.516 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.091 -5.195 9.625 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.149 -3.565 10.266 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.757 -6.402 11.961 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.820 -6.727 10.587 1.00 0.00 H new ATOM 447 N ALA A 29 4.956 -1.439 9.001 1.00 0.00 N ATOM 448 CA ALA A 29 4.518 -0.075 9.292 1.00 0.00 C ATOM 449 C ALA A 29 3.625 0.492 8.191 1.00 0.00 C ATOM 450 O ALA A 29 2.552 1.031 8.466 1.00 0.00 O ATOM 451 CB ALA A 29 5.725 0.830 9.489 1.00 0.00 C ATOM 0 H ALA A 29 5.953 -1.526 8.804 1.00 0.00 H new ATOM 0 HA ALA A 29 3.929 -0.113 10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.388 1.844 9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.324 0.461 10.322 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.329 0.834 8.581 1.00 0.00 H new ATOM 457 N PHE A 30 4.082 0.385 6.952 1.00 0.00 N ATOM 458 CA PHE A 30 3.338 0.906 5.809 1.00 0.00 C ATOM 459 C PHE A 30 2.015 0.180 5.619 1.00 0.00 C ATOM 460 O PHE A 30 0.973 0.813 5.473 1.00 0.00 O ATOM 461 CB PHE A 30 4.188 0.752 4.550 1.00 0.00 C ATOM 462 CG PHE A 30 3.990 1.800 3.492 1.00 0.00 C ATOM 463 CD1 PHE A 30 2.999 2.766 3.583 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.821 1.801 2.390 1.00 0.00 C ATOM 465 CE1 PHE A 30 2.852 3.716 2.585 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.684 2.743 1.397 1.00 0.00 C ATOM 467 CZ PHE A 30 3.700 3.702 1.493 1.00 0.00 C ATOM 0 H PHE A 30 4.968 -0.059 6.710 1.00 0.00 H new ATOM 0 HA PHE A 30 3.117 1.957 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.238 0.752 4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.979 -0.224 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.338 2.778 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.592 1.049 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.078 4.465 2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.346 2.731 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.591 4.443 0.715 1.00 0.00 H new ATOM 477 N ILE A 31 2.059 -1.148 5.600 1.00 0.00 N ATOM 478 CA ILE A 31 0.871 -1.943 5.404 1.00 0.00 C ATOM 479 C ILE A 31 -0.269 -1.538 6.332 1.00 0.00 C ATOM 480 O ILE A 31 -1.433 -1.610 5.954 1.00 0.00 O ATOM 481 CB ILE A 31 1.200 -3.423 5.580 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.088 -4.284 5.030 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.489 -3.765 7.021 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.617 -5.426 4.212 1.00 0.00 C ATOM 0 H ILE A 31 2.914 -1.691 5.720 1.00 0.00 H new ATOM 0 HA ILE A 31 0.526 -1.762 4.386 1.00 0.00 H new ATOM 0 HB ILE A 31 2.108 -3.629 5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.510 -4.674 5.853 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.574 -3.674 4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.719 -4.827 7.104 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.341 -3.181 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.616 -3.534 7.632 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.216 -6.020 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.193 -5.036 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.258 -6.052 4.833 1.00 0.00 H new ATOM 496 N GLN A 32 0.065 -1.103 7.541 1.00 0.00 N ATOM 497 CA GLN A 32 -0.957 -0.684 8.498 1.00 0.00 C ATOM 498 C GLN A 32 -1.679 0.557 7.997 1.00 0.00 C ATOM 499 O GLN A 32 -2.908 0.609 7.969 1.00 0.00 O ATOM 500 CB GLN A 32 -0.340 -0.398 9.867 1.00 0.00 C ATOM 501 CG GLN A 32 0.665 -1.443 10.313 1.00 0.00 C ATOM 502 CD GLN A 32 0.297 -2.085 11.637 1.00 0.00 C ATOM 503 OE1 GLN A 32 -0.768 -2.690 11.772 1.00 0.00 O ATOM 504 NE2 GLN A 32 1.178 -1.957 12.622 1.00 0.00 N ATOM 0 H GLN A 32 1.024 -1.031 7.881 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.672 -1.500 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.150 0.575 9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.136 -0.333 10.608 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.742 -2.216 9.548 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.649 -0.981 10.399 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.048 -1.447 12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.985 -2.368 13.535 1.00 0.00 H new ATOM 513 N SER A 33 -0.900 1.552 7.599 1.00 0.00 N ATOM 514 CA SER A 33 -1.450 2.799 7.090 1.00 0.00 C ATOM 515 C SER A 33 -2.003 2.600 5.692 1.00 0.00 C ATOM 516 O SER A 33 -3.080 3.093 5.361 1.00 0.00 O ATOM 517 CB SER A 33 -0.379 3.892 7.085 1.00 0.00 C ATOM 518 OG SER A 33 -0.283 4.519 8.352 1.00 0.00 O ATOM 0 H SER A 33 0.119 1.519 7.619 1.00 0.00 H new ATOM 0 HA SER A 33 -2.263 3.111 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.585 3.460 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.618 4.636 6.325 1.00 0.00 H new ATOM 0 HG SER A 33 0.409 5.212 8.322 1.00 0.00 H new ATOM 524 N LEU A 34 -1.267 1.857 4.879 1.00 0.00 N ATOM 525 CA LEU A 34 -1.699 1.575 3.524 1.00 0.00 C ATOM 526 C LEU A 34 -3.011 0.811 3.572 1.00 0.00 C ATOM 527 O LEU A 34 -3.924 1.063 2.788 1.00 0.00 O ATOM 528 CB LEU A 34 -0.595 0.805 2.775 1.00 0.00 C ATOM 529 CG LEU A 34 -1.031 -0.248 1.746 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.519 -1.512 2.429 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.093 0.293 0.832 1.00 0.00 C ATOM 0 H LEU A 34 -0.372 1.441 5.135 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.872 2.500 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.034 1.534 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.031 0.309 3.517 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.157 -0.498 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.821 -2.239 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.716 -1.931 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.371 -1.275 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.381 -0.475 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.963 0.586 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.706 1.161 0.298 1.00 0.00 H new ATOM 543 N LYS A 35 -3.121 -0.086 4.536 1.00 0.00 N ATOM 544 CA LYS A 35 -4.347 -0.840 4.714 1.00 0.00 C ATOM 545 C LYS A 35 -5.362 0.031 5.421 1.00 0.00 C ATOM 546 O LYS A 35 -6.568 -0.101 5.216 1.00 0.00 O ATOM 547 CB LYS A 35 -4.089 -2.116 5.503 1.00 0.00 C ATOM 548 CG LYS A 35 -3.437 -3.201 4.664 1.00 0.00 C ATOM 549 CD LYS A 35 -4.115 -4.548 4.863 1.00 0.00 C ATOM 550 CE LYS A 35 -3.106 -5.637 5.196 1.00 0.00 C ATOM 551 NZ LYS A 35 -2.962 -5.831 6.666 1.00 0.00 N ATOM 0 H LYS A 35 -2.382 -0.308 5.203 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.736 -1.131 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.450 -1.888 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.032 -2.489 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.481 -2.923 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.383 -3.281 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.848 -4.472 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.660 -4.819 3.959 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.418 -6.574 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.138 -5.378 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.266 -6.581 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.640 -4.944 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.880 -6.103 7.072 1.00 0.00 H new ATOM 565 N ASP A 36 -4.861 0.953 6.234 1.00 0.00 N ATOM 566 CA ASP A 36 -5.732 1.878 6.937 1.00 0.00 C ATOM 567 C ASP A 36 -6.561 2.662 5.924 1.00 0.00 C ATOM 568 O ASP A 36 -7.674 3.099 6.214 1.00 0.00 O ATOM 569 CB ASP A 36 -4.916 2.837 7.807 1.00 0.00 C ATOM 570 CG ASP A 36 -5.793 3.770 8.620 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.641 4.461 8.017 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.631 3.808 9.858 1.00 0.00 O ATOM 0 H ASP A 36 -3.866 1.077 6.420 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.396 1.311 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.281 2.261 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.255 3.426 7.172 1.00 0.00 H new ATOM 577 N ASP A 37 -6.004 2.821 4.720 1.00 0.00 N ATOM 578 CA ASP A 37 -6.687 3.536 3.645 1.00 0.00 C ATOM 579 C ASP A 37 -7.468 2.570 2.757 1.00 0.00 C ATOM 580 O ASP A 37 -8.645 2.789 2.469 1.00 0.00 O ATOM 581 CB ASP A 37 -5.677 4.320 2.805 1.00 0.00 C ATOM 582 CG ASP A 37 -5.539 5.759 3.261 1.00 0.00 C ATOM 583 OD1 ASP A 37 -6.517 6.524 3.121 1.00 0.00 O ATOM 584 OD2 ASP A 37 -4.453 6.122 3.759 1.00 0.00 O ATOM 0 H ASP A 37 -5.083 2.463 4.468 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.392 4.234 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.705 3.830 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.985 4.301 1.760 1.00 0.00 H new ATOM 589 N GLY A 38 -6.801 1.503 2.320 1.00 0.00 N ATOM 590 CA GLY A 38 -7.444 0.520 1.463 1.00 0.00 C ATOM 591 C GLY A 38 -7.134 -0.907 1.879 1.00 0.00 C ATOM 592 O GLY A 38 -6.677 -1.713 1.071 1.00 0.00 O ATOM 0 H GLY A 38 -5.827 1.302 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.523 0.675 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.120 0.673 0.434 1.00 0.00 H new ATOM 596 N VAL A 39 -7.383 -1.211 3.148 1.00 0.00 N ATOM 597 CA VAL A 39 -7.130 -2.544 3.695 1.00 0.00 C ATOM 598 C VAL A 39 -7.761 -3.642 2.838 1.00 0.00 C ATOM 599 O VAL A 39 -7.156 -4.691 2.620 1.00 0.00 O ATOM 600 CB VAL A 39 -7.664 -2.673 5.143 1.00 0.00 C ATOM 601 CG1 VAL A 39 -8.960 -1.896 5.326 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.866 -4.136 5.511 1.00 0.00 C ATOM 0 H VAL A 39 -7.763 -0.548 3.824 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.048 -2.672 3.694 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.918 -2.244 5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.309 -2.007 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.785 -0.841 5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.716 -2.283 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.241 -4.206 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.586 -4.587 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.915 -4.664 5.437 1.00 0.00 H new ATOM 612 N GLN A 40 -8.990 -3.395 2.395 1.00 0.00 N ATOM 613 CA GLN A 40 -9.760 -4.351 1.582 1.00 0.00 C ATOM 614 C GLN A 40 -8.875 -5.208 0.680 1.00 0.00 C ATOM 615 O GLN A 40 -9.213 -6.350 0.367 1.00 0.00 O ATOM 616 CB GLN A 40 -10.779 -3.612 0.711 1.00 0.00 C ATOM 617 CG GLN A 40 -11.362 -2.368 1.361 1.00 0.00 C ATOM 618 CD GLN A 40 -12.573 -1.838 0.621 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.669 -2.378 0.744 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.370 -0.776 -0.145 1.00 0.00 N ATOM 0 H GLN A 40 -9.488 -2.526 2.586 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.266 -5.012 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.302 -3.329 -0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.592 -4.294 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.641 -2.597 2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.598 -1.592 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.438 -0.366 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.145 -0.369 -0.668 1.00 0.00 H new ATOM 629 N GLY A 41 -7.752 -4.650 0.256 1.00 0.00 N ATOM 630 CA GLY A 41 -6.849 -5.377 -0.616 1.00 0.00 C ATOM 631 C GLY A 41 -5.570 -5.809 0.073 1.00 0.00 C ATOM 632 O GLY A 41 -5.200 -5.272 1.117 1.00 0.00 O ATOM 0 H GLY A 41 -7.448 -3.707 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.360 -6.258 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.599 -4.751 -1.472 1.00 0.00 H new ATOM 636 N VAL A 42 -4.884 -6.770 -0.536 1.00 0.00 N ATOM 637 CA VAL A 42 -3.619 -7.274 -0.009 1.00 0.00 C ATOM 638 C VAL A 42 -2.511 -6.962 -1.002 1.00 0.00 C ATOM 639 O VAL A 42 -2.707 -7.115 -2.209 1.00 0.00 O ATOM 640 CB VAL A 42 -3.674 -8.793 0.254 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.846 -9.559 -1.047 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.424 -9.250 0.989 1.00 0.00 C ATOM 0 H VAL A 42 -5.185 -7.219 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.423 -6.783 0.944 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.538 -9.002 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.882 -10.628 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.774 -9.252 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.006 -9.347 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.479 -10.324 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.545 -9.026 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.351 -8.728 1.943 1.00 0.00 H new ATOM 652 N TRP A 43 -1.367 -6.478 -0.527 1.00 0.00 N ATOM 653 CA TRP A 43 -0.303 -6.114 -1.453 1.00 0.00 C ATOM 654 C TRP A 43 0.773 -7.168 -1.648 1.00 0.00 C ATOM 655 O TRP A 43 0.994 -8.048 -0.817 1.00 0.00 O ATOM 656 CB TRP A 43 0.342 -4.780 -1.061 1.00 0.00 C ATOM 657 CG TRP A 43 1.288 -4.809 0.117 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.024 -5.856 0.607 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.610 -3.688 0.937 1.00 0.00 C ATOM 660 NE1 TRP A 43 2.778 -5.440 1.678 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.538 -4.111 1.898 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.197 -2.363 0.943 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.059 -3.247 2.853 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.713 -1.505 1.890 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.632 -1.944 2.830 1.00 0.00 C ATOM 0 H TRP A 43 -1.157 -6.333 0.461 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.806 -6.021 -2.415 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.885 -4.397 -1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.453 -4.068 -0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.013 -6.860 0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.413 -6.026 2.220 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.481 -2.009 0.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.774 -3.589 3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.396 -0.473 1.900 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.019 -1.247 3.558 1.00 0.00 H new ATOM 676 N THR A 44 1.461 -7.007 -2.773 1.00 0.00 N ATOM 677 CA THR A 44 2.577 -7.846 -3.166 1.00 0.00 C ATOM 678 C THR A 44 3.723 -6.928 -3.561 1.00 0.00 C ATOM 679 O THR A 44 3.742 -6.385 -4.665 1.00 0.00 O ATOM 680 CB THR A 44 2.190 -8.762 -4.324 1.00 0.00 C ATOM 681 OG1 THR A 44 1.060 -8.259 -5.013 1.00 0.00 O ATOM 682 CG2 THR A 44 1.866 -10.161 -3.862 1.00 0.00 C ATOM 0 H THR A 44 1.250 -6.273 -3.449 1.00 0.00 H new ATOM 0 HA THR A 44 2.875 -8.490 -2.339 1.00 0.00 H new ATOM 0 HB THR A 44 3.057 -8.794 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.832 -8.862 -5.751 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.597 -10.775 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.737 -10.592 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.030 -10.129 -3.163 1.00 0.00 H new ATOM 690 N TYR A 45 4.640 -6.703 -2.633 1.00 0.00 N ATOM 691 CA TYR A 45 5.747 -5.784 -2.878 1.00 0.00 C ATOM 692 C TYR A 45 7.010 -6.489 -3.353 1.00 0.00 C ATOM 693 O TYR A 45 7.309 -7.615 -2.956 1.00 0.00 O ATOM 694 CB TYR A 45 6.014 -4.953 -1.616 1.00 0.00 C ATOM 695 CG TYR A 45 7.465 -4.657 -1.299 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.370 -5.667 -0.986 1.00 0.00 C ATOM 697 CD2 TYR A 45 7.918 -3.344 -1.296 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.685 -5.374 -0.685 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.231 -3.045 -0.996 1.00 0.00 C ATOM 700 CZ TYR A 45 10.111 -4.063 -0.690 1.00 0.00 C ATOM 701 OH TYR A 45 11.421 -3.768 -0.390 1.00 0.00 O ATOM 0 H TYR A 45 4.643 -7.138 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 45 5.453 -5.122 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.485 -4.005 -1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.578 -5.475 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.039 -6.695 -0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.232 -2.544 -1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.377 -6.168 -0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.569 -2.019 -1.001 1.00 0.00 H new ATOM 0 HH TYR A 45 11.881 -3.462 -1.199 1.00 0.00 H new ATOM 711 N ASP A 46 7.754 -5.782 -4.198 1.00 0.00 N ATOM 712 CA ASP A 46 9.005 -6.280 -4.739 1.00 0.00 C ATOM 713 C ASP A 46 10.177 -5.590 -4.058 1.00 0.00 C ATOM 714 O ASP A 46 10.019 -4.522 -3.461 1.00 0.00 O ATOM 715 CB ASP A 46 9.056 -6.027 -6.239 1.00 0.00 C ATOM 716 CG ASP A 46 9.429 -7.278 -7.023 1.00 0.00 C ATOM 717 OD1 ASP A 46 8.524 -8.090 -7.305 1.00 0.00 O ATOM 718 OD2 ASP A 46 10.623 -7.438 -7.347 1.00 0.00 O ATOM 0 H ASP A 46 7.503 -4.849 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 46 9.070 -7.352 -4.555 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.085 -5.665 -6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.781 -5.240 -6.448 1.00 0.00 H new ATOM 723 N ASP A 47 11.353 -6.187 -4.170 1.00 0.00 N ATOM 724 CA ASP A 47 12.557 -5.624 -3.587 1.00 0.00 C ATOM 725 C ASP A 47 13.282 -4.819 -4.644 1.00 0.00 C ATOM 726 O ASP A 47 13.876 -3.776 -4.372 1.00 0.00 O ATOM 727 CB ASP A 47 13.455 -6.746 -3.075 1.00 0.00 C ATOM 728 CG ASP A 47 13.754 -6.623 -1.594 1.00 0.00 C ATOM 729 OD1 ASP A 47 14.679 -5.863 -1.236 1.00 0.00 O ATOM 730 OD2 ASP A 47 13.062 -7.285 -0.792 1.00 0.00 O ATOM 0 H ASP A 47 11.498 -7.068 -4.663 1.00 0.00 H new ATOM 0 HA ASP A 47 12.296 -4.976 -2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.976 -7.706 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.391 -6.740 -3.633 1.00 0.00 H new ATOM 735 N ALA A 48 13.196 -5.324 -5.861 1.00 0.00 N ATOM 736 CA ALA A 48 13.800 -4.685 -7.008 1.00 0.00 C ATOM 737 C ALA A 48 13.227 -3.297 -7.215 1.00 0.00 C ATOM 738 O ALA A 48 13.927 -2.370 -7.626 1.00 0.00 O ATOM 739 CB ALA A 48 13.529 -5.544 -8.225 1.00 0.00 C ATOM 0 H ALA A 48 12.704 -6.190 -6.079 1.00 0.00 H new ATOM 0 HA ALA A 48 14.873 -4.582 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.976 -5.081 -9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.962 -6.533 -8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.453 -5.638 -8.372 1.00 0.00 H new ATOM 745 N THR A 49 11.939 -3.172 -6.938 1.00 0.00 N ATOM 746 CA THR A 49 11.237 -1.906 -7.093 1.00 0.00 C ATOM 747 C THR A 49 11.080 -1.194 -5.755 1.00 0.00 C ATOM 748 O THR A 49 11.187 0.030 -5.678 1.00 0.00 O ATOM 749 CB THR A 49 9.863 -2.145 -7.720 1.00 0.00 C ATOM 750 OG1 THR A 49 8.955 -2.654 -6.758 1.00 0.00 O ATOM 751 CG2 THR A 49 9.896 -3.118 -8.875 1.00 0.00 C ATOM 0 H THR A 49 11.354 -3.937 -6.602 1.00 0.00 H new ATOM 0 HA THR A 49 11.830 -1.268 -7.749 1.00 0.00 H new ATOM 0 HB THR A 49 9.542 -1.172 -8.092 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.514 -1.909 -6.299 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.890 -3.243 -9.274 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.551 -2.733 -9.656 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.271 -4.081 -8.529 1.00 0.00 H new ATOM 759 N LYS A 50 10.811 -1.968 -4.703 1.00 0.00 N ATOM 760 CA LYS A 50 10.621 -1.419 -3.361 1.00 0.00 C ATOM 761 C LYS A 50 9.227 -0.830 -3.242 1.00 0.00 C ATOM 762 O LYS A 50 9.017 0.219 -2.625 1.00 0.00 O ATOM 763 CB LYS A 50 11.661 -0.348 -3.055 1.00 0.00 C ATOM 764 CG LYS A 50 13.065 -0.706 -3.521 1.00 0.00 C ATOM 765 CD LYS A 50 13.703 0.430 -4.307 1.00 0.00 C ATOM 766 CE LYS A 50 14.314 -0.067 -5.608 1.00 0.00 C ATOM 767 NZ LYS A 50 15.602 -0.779 -5.381 1.00 0.00 N ATOM 0 H LYS A 50 10.720 -2.983 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 50 10.741 -2.227 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.358 0.586 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.679 -0.169 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.686 -0.944 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.025 -1.601 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.953 1.190 -4.523 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.473 0.906 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.612 -0.736 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.479 0.777 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.986 -1.102 -6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.281 -0.133 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.441 -1.600 -4.763 1.00 0.00 H new ATOM 781 N THR A 51 8.279 -1.506 -3.863 1.00 0.00 N ATOM 782 CA THR A 51 6.901 -1.056 -3.862 1.00 0.00 C ATOM 783 C THR A 51 5.939 -2.213 -3.646 1.00 0.00 C ATOM 784 O THR A 51 6.213 -3.341 -4.048 1.00 0.00 O ATOM 785 CB THR A 51 6.591 -0.350 -5.179 1.00 0.00 C ATOM 786 OG1 THR A 51 7.494 -0.754 -6.192 1.00 0.00 O ATOM 787 CG2 THR A 51 6.664 1.155 -5.074 1.00 0.00 C ATOM 0 H THR A 51 8.440 -2.372 -4.377 1.00 0.00 H new ATOM 0 HA THR A 51 6.770 -0.358 -3.035 1.00 0.00 H new ATOM 0 HB THR A 51 5.569 -0.636 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.277 -0.291 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.434 1.599 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.943 1.504 -4.334 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.668 1.450 -4.769 1.00 0.00 H new ATOM 795 N PHE A 52 4.804 -1.915 -3.023 1.00 0.00 N ATOM 796 CA PHE A 52 3.783 -2.915 -2.765 1.00 0.00 C ATOM 797 C PHE A 52 2.485 -2.521 -3.454 1.00 0.00 C ATOM 798 O PHE A 52 2.193 -1.337 -3.604 1.00 0.00 O ATOM 799 CB PHE A 52 3.541 -3.097 -1.256 1.00 0.00 C ATOM 800 CG PHE A 52 4.544 -2.417 -0.355 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.717 -1.043 -0.382 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.322 -3.165 0.518 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.645 -0.435 0.437 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.249 -2.562 1.335 1.00 0.00 C ATOM 805 CZ PHE A 52 6.411 -1.197 1.297 1.00 0.00 C ATOM 0 H PHE A 52 4.570 -0.981 -2.687 1.00 0.00 H new ATOM 0 HA PHE A 52 4.135 -3.865 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.547 -2.719 -1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.540 -4.164 -1.031 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.119 -0.442 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.197 -4.237 0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.773 0.637 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.849 -3.159 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.137 -0.721 1.939 1.00 0.00 H new ATOM 815 N THR A 53 1.712 -3.507 -3.881 1.00 0.00 N ATOM 816 CA THR A 53 0.460 -3.239 -4.551 1.00 0.00 C ATOM 817 C THR A 53 -0.689 -3.925 -3.813 1.00 0.00 C ATOM 818 O THR A 53 -0.883 -5.130 -3.956 1.00 0.00 O ATOM 819 CB THR A 53 0.542 -3.729 -6.000 1.00 0.00 C ATOM 820 OG1 THR A 53 1.395 -2.900 -6.767 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.798 -3.774 -6.688 1.00 0.00 C ATOM 0 H THR A 53 1.933 -4.497 -3.773 1.00 0.00 H new ATOM 0 HA THR A 53 0.271 -2.166 -4.552 1.00 0.00 H new ATOM 0 HB THR A 53 0.936 -4.744 -5.939 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.433 -3.233 -7.688 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.670 -4.129 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.461 -4.451 -6.149 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.233 -2.775 -6.703 1.00 0.00 H new ATOM 829 N VAL A 54 -1.454 -3.158 -3.031 1.00 0.00 N ATOM 830 CA VAL A 54 -2.573 -3.724 -2.282 1.00 0.00 C ATOM 831 C VAL A 54 -3.746 -4.006 -3.208 1.00 0.00 C ATOM 832 O VAL A 54 -4.536 -3.126 -3.530 1.00 0.00 O ATOM 833 CB VAL A 54 -3.008 -2.795 -1.115 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.518 -2.796 -0.903 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.308 -3.208 0.168 1.00 0.00 C ATOM 0 H VAL A 54 -1.319 -2.155 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.238 -4.665 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.717 -1.780 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.770 -2.131 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.013 -2.450 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.852 -3.807 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.619 -2.551 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.573 -4.237 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.229 -3.133 0.034 1.00 0.00 H new ATOM 845 N GLN A 55 -3.839 -5.247 -3.639 1.00 0.00 N ATOM 846 CA GLN A 55 -4.900 -5.660 -4.540 1.00 0.00 C ATOM 847 C GLN A 55 -5.940 -6.506 -3.816 1.00 0.00 C ATOM 848 O GLN A 55 -5.609 -7.491 -3.157 1.00 0.00 O ATOM 849 CB GLN A 55 -4.313 -6.443 -5.710 1.00 0.00 C ATOM 850 CG GLN A 55 -3.493 -5.601 -6.669 1.00 0.00 C ATOM 851 CD GLN A 55 -3.593 -6.085 -8.104 1.00 0.00 C ATOM 852 OE1 GLN A 55 -2.580 -6.310 -8.766 1.00 0.00 O ATOM 853 NE2 GLN A 55 -4.818 -6.248 -8.590 1.00 0.00 N ATOM 0 H GLN A 55 -3.191 -5.991 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.395 -4.764 -4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.686 -7.244 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.126 -6.915 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.828 -4.565 -6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.449 -5.615 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.629 -6.049 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.947 -6.572 -9.548 1.00 0.00 H new ATOM 862 N ALA A 56 -7.199 -6.112 -3.950 1.00 0.00 N ATOM 863 CA ALA A 56 -8.299 -6.827 -3.316 1.00 0.00 C ATOM 864 C ALA A 56 -8.950 -7.807 -4.289 1.00 0.00 C ATOM 865 O ALA A 56 -9.015 -9.010 -3.960 1.00 0.00 O ATOM 866 CB ALA A 56 -9.331 -5.844 -2.785 1.00 0.00 C ATOM 867 OXT ALA A 56 -9.390 -7.361 -5.369 1.00 0.00 O ATOM 0 H ALA A 56 -7.485 -5.298 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.895 -7.399 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.147 -6.392 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.864 -5.187 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.723 -5.247 -3.609 1.00 0.00 H new