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 145:sc= 0.883 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 0.964 USER MOD Set 2.1: A 14 TYR OH : rot 69:sc= 0.179! USER MOD Set 2.2: A 16 THR OG1 : rot -84:sc= 1.86 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -7.97! C(o=-8!,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=-0.23) USER MOD Single : A 11 ASN : amide:sc= -0.0303 K(o=-0.03,f=-1.6!) 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 -170:sc= -0.399 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.12) 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= -0.0349 K(o=-0.035,f=-0.78) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -147:sc= 1.45 USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.366 (180deg=-1.49!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 55 GLN : amide:sc= -2.26! C(o=-2.3!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 41 N TYR A 3 9.067 3.947 0.013 1.00 0.00 N ATOM 42 CA TYR A 3 8.472 3.041 -0.953 1.00 0.00 C ATOM 43 C TYR A 3 7.075 3.520 -1.313 1.00 0.00 C ATOM 44 O TYR A 3 6.412 4.173 -0.506 1.00 0.00 O ATOM 45 CB TYR A 3 8.423 1.620 -0.385 1.00 0.00 C ATOM 46 CG TYR A 3 9.788 1.008 -0.119 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.959 1.640 -0.523 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.898 -0.206 0.547 1.00 0.00 C ATOM 49 CE1 TYR A 3 12.198 1.079 -0.270 1.00 0.00 C ATOM 50 CE2 TYR A 3 11.132 -0.774 0.801 1.00 0.00 C ATOM 51 CZ TYR A 3 12.279 -0.127 0.391 1.00 0.00 C ATOM 52 OH TYR A 3 13.509 -0.689 0.645 1.00 0.00 O ATOM 0 HA TYR A 3 9.083 3.029 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.855 1.632 0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.880 0.981 -1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.900 2.585 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.003 -0.715 0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 3 13.098 1.584 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.198 -1.720 1.318 1.00 0.00 H new ATOM 0 HH TYR A 3 13.389 -1.538 1.120 1.00 0.00 H new ATOM 62 N LEU A 4 6.625 3.208 -2.520 1.00 0.00 N ATOM 63 CA LEU A 4 5.302 3.630 -2.953 1.00 0.00 C ATOM 64 C LEU A 4 4.393 2.427 -3.091 1.00 0.00 C ATOM 65 O LEU A 4 4.819 1.372 -3.560 1.00 0.00 O ATOM 66 CB LEU A 4 5.376 4.408 -4.271 1.00 0.00 C ATOM 67 CG LEU A 4 5.545 3.558 -5.529 1.00 0.00 C ATOM 68 CD1 LEU A 4 4.201 3.033 -6.006 1.00 0.00 C ATOM 69 CD2 LEU A 4 6.229 4.359 -6.627 1.00 0.00 C ATOM 0 H LEU A 4 7.150 2.670 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 4 4.888 4.297 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.467 5.001 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.209 5.109 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 4 6.177 2.704 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.343 2.430 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.752 2.420 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.543 3.872 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.341 3.737 -7.515 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.625 5.233 -6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.212 4.681 -6.284 1.00 0.00 H new ATOM 81 N VAL A 5 3.142 2.580 -2.682 1.00 0.00 N ATOM 82 CA VAL A 5 2.205 1.480 -2.774 1.00 0.00 C ATOM 83 C VAL A 5 1.040 1.815 -3.687 1.00 0.00 C ATOM 84 O VAL A 5 0.599 2.957 -3.743 1.00 0.00 O ATOM 85 CB VAL A 5 1.659 1.049 -1.394 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.554 1.954 -0.902 1.00 0.00 C ATOM 87 CG2 VAL A 5 1.147 -0.361 -1.483 1.00 0.00 C ATOM 0 H VAL A 5 2.761 3.441 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 5 2.768 0.647 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 5 2.479 1.118 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.206 1.607 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.931 2.972 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.274 1.936 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.761 -0.670 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.349 -0.412 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.959 -1.025 -1.778 1.00 0.00 H new ATOM 97 N VAL A 6 0.547 0.806 -4.394 1.00 0.00 N ATOM 98 CA VAL A 6 -0.571 0.973 -5.297 1.00 0.00 C ATOM 99 C VAL A 6 -1.580 -0.156 -5.117 1.00 0.00 C ATOM 100 O VAL A 6 -1.296 -1.319 -5.392 1.00 0.00 O ATOM 101 CB VAL A 6 -0.089 1.018 -6.760 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.014 2.052 -6.921 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.405 -0.349 -7.199 1.00 0.00 C ATOM 0 H VAL A 6 0.913 -0.145 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.056 1.920 -5.060 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.930 1.302 -7.392 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.345 2.073 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.635 3.035 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.854 1.791 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.742 -0.299 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.234 -0.658 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.406 -1.073 -7.116 1.00 0.00 H new ATOM 113 N ASN A 7 -2.761 0.202 -4.645 1.00 0.00 N ATOM 114 CA ASN A 7 -3.820 -0.772 -4.412 1.00 0.00 C ATOM 115 C ASN A 7 -4.645 -1.007 -5.672 1.00 0.00 C ATOM 116 O ASN A 7 -5.134 -0.058 -6.285 1.00 0.00 O ATOM 117 CB ASN A 7 -4.735 -0.299 -3.270 1.00 0.00 C ATOM 118 CG ASN A 7 -6.122 -0.933 -3.309 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.423 -1.856 -2.555 1.00 0.00 O ATOM 120 ND2 ASN A 7 -6.976 -0.435 -4.197 1.00 0.00 N ATOM 0 H ASN A 7 -3.014 1.163 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.350 -1.715 -4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.263 -0.531 -2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.837 0.785 -3.320 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.918 -0.819 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.689 0.332 -4.806 1.00 0.00 H new ATOM 127 N LYS A 8 -4.821 -2.273 -6.047 1.00 0.00 N ATOM 128 CA LYS A 8 -5.621 -2.590 -7.226 1.00 0.00 C ATOM 129 C LYS A 8 -6.550 -3.772 -6.959 1.00 0.00 C ATOM 130 O LYS A 8 -6.101 -4.895 -6.742 1.00 0.00 O ATOM 131 CB LYS A 8 -4.716 -2.887 -8.425 1.00 0.00 C ATOM 132 CG LYS A 8 -3.529 -1.947 -8.539 1.00 0.00 C ATOM 133 CD LYS A 8 -3.938 -0.594 -9.095 1.00 0.00 C ATOM 134 CE LYS A 8 -2.813 0.421 -8.993 1.00 0.00 C ATOM 135 NZ LYS A 8 -2.612 1.162 -10.265 1.00 0.00 N ATOM 0 H LYS A 8 -4.429 -3.080 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.236 -1.720 -7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.351 -3.911 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.306 -2.826 -9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.073 -1.815 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.772 -2.393 -9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.235 -0.704 -10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.809 -0.227 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.034 1.128 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.889 -0.089 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.835 1.844 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.375 0.491 -11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.485 1.670 -10.512 1.00 0.00 H new ATOM 149 N GLY A 9 -7.848 -3.511 -6.985 1.00 0.00 N ATOM 150 CA GLY A 9 -8.825 -4.560 -6.752 1.00 0.00 C ATOM 151 C GLY A 9 -9.813 -4.691 -7.884 1.00 0.00 C ATOM 152 O GLY A 9 -9.437 -4.984 -9.019 1.00 0.00 O ATOM 0 H GLY A 9 -8.246 -2.589 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.308 -5.509 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.363 -4.352 -5.827 1.00 0.00 H new ATOM 156 N GLN A 10 -11.088 -4.471 -7.582 1.00 0.00 N ATOM 157 CA GLN A 10 -12.139 -4.568 -8.589 1.00 0.00 C ATOM 158 C GLN A 10 -12.880 -3.242 -8.749 1.00 0.00 C ATOM 159 O GLN A 10 -13.376 -2.926 -9.829 1.00 0.00 O ATOM 160 CB GLN A 10 -13.130 -5.672 -8.219 1.00 0.00 C ATOM 161 CG GLN A 10 -13.909 -6.218 -9.402 1.00 0.00 C ATOM 162 CD GLN A 10 -14.580 -7.543 -9.101 1.00 0.00 C ATOM 163 OE1 GLN A 10 -14.996 -7.798 -7.968 1.00 0.00 O ATOM 164 NE2 GLN A 10 -14.676 -8.402 -10.109 1.00 0.00 N ATOM 0 H GLN A 10 -11.419 -4.225 -6.649 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.665 -4.812 -9.540 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.588 -6.490 -7.744 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.832 -5.284 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.666 -5.492 -9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.235 -6.341 -10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.318 -8.149 -11.030 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.107 -9.315 -9.962 1.00 0.00 H new ATOM 173 N ASN A 11 -12.962 -2.470 -7.671 1.00 0.00 N ATOM 174 CA ASN A 11 -13.645 -1.189 -7.694 1.00 0.00 C ATOM 175 C ASN A 11 -13.012 -0.193 -6.730 1.00 0.00 C ATOM 176 O ASN A 11 -13.709 0.501 -5.991 1.00 0.00 O ATOM 177 CB ASN A 11 -15.118 -1.388 -7.339 1.00 0.00 C ATOM 178 CG ASN A 11 -16.007 -0.292 -7.897 1.00 0.00 C ATOM 179 OD1 ASN A 11 -15.532 0.627 -8.565 1.00 0.00 O ATOM 180 ND2 ASN A 11 -17.306 -0.382 -7.627 1.00 0.00 N ATOM 0 H ASN A 11 -12.560 -2.715 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.556 -0.779 -8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.453 -2.352 -7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.225 -1.421 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.950 0.327 -7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.658 -1.160 -7.070 1.00 0.00 H new ATOM 187 N ALA A 12 -11.680 -0.127 -6.726 1.00 0.00 N ATOM 188 CA ALA A 12 -10.974 0.790 -5.840 1.00 0.00 C ATOM 189 C ALA A 12 -9.472 0.798 -6.115 1.00 0.00 C ATOM 190 O ALA A 12 -8.810 -0.231 -6.019 1.00 0.00 O ATOM 191 CB ALA A 12 -11.240 0.425 -4.386 1.00 0.00 C ATOM 0 H ALA A 12 -11.076 -0.693 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.351 1.794 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.707 1.117 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.309 0.487 -4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.894 -0.591 -4.197 1.00 0.00 H new ATOM 197 N PHE A 13 -8.948 1.973 -6.449 1.00 0.00 N ATOM 198 CA PHE A 13 -7.530 2.131 -6.730 1.00 0.00 C ATOM 199 C PHE A 13 -6.938 3.254 -5.880 1.00 0.00 C ATOM 200 O PHE A 13 -7.304 4.419 -6.028 1.00 0.00 O ATOM 201 CB PHE A 13 -7.300 2.420 -8.210 1.00 0.00 C ATOM 202 CG PHE A 13 -7.822 1.343 -9.119 1.00 0.00 C ATOM 203 CD1 PHE A 13 -9.181 1.078 -9.193 1.00 0.00 C ATOM 204 CD2 PHE A 13 -6.959 0.597 -9.902 1.00 0.00 C ATOM 205 CE1 PHE A 13 -9.662 0.086 -10.024 1.00 0.00 C ATOM 206 CE2 PHE A 13 -7.436 -0.395 -10.739 1.00 0.00 C ATOM 207 CZ PHE A 13 -8.789 -0.651 -10.799 1.00 0.00 C ATOM 0 H PHE A 13 -9.490 2.833 -6.531 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.030 1.196 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.779 3.365 -8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.232 2.547 -8.386 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.871 1.654 -8.594 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.898 0.792 -9.859 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.722 -0.114 -10.068 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.750 -0.968 -11.345 1.00 0.00 H new ATOM 0 HZ PHE A 13 -9.165 -1.426 -11.450 1.00 0.00 H new ATOM 217 N TYR A 14 -6.021 2.890 -4.981 1.00 0.00 N ATOM 218 CA TYR A 14 -5.382 3.860 -4.104 1.00 0.00 C ATOM 219 C TYR A 14 -3.889 3.561 -3.985 1.00 0.00 C ATOM 220 O TYR A 14 -3.500 2.416 -3.777 1.00 0.00 O ATOM 221 CB TYR A 14 -6.055 3.827 -2.726 1.00 0.00 C ATOM 222 CG TYR A 14 -5.132 4.159 -1.575 1.00 0.00 C ATOM 223 CD1 TYR A 14 -4.405 3.165 -0.932 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.990 5.468 -1.132 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.567 3.467 0.121 1.00 0.00 C ATOM 226 CE2 TYR A 14 -4.150 5.777 -0.080 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.442 4.772 0.543 1.00 0.00 C ATOM 228 OH TYR A 14 -2.617 5.073 1.603 1.00 0.00 O ATOM 0 H TYR A 14 -5.708 1.929 -4.845 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.495 4.859 -4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.887 4.531 -2.724 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.476 2.835 -2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.497 2.141 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.545 6.257 -1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.011 2.683 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.049 6.800 0.252 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.683 4.942 1.338 1.00 0.00 H new ATOM 238 N GLU A 15 -3.053 4.586 -4.108 1.00 0.00 N ATOM 239 CA GLU A 15 -1.617 4.398 -4.005 1.00 0.00 C ATOM 240 C GLU A 15 -0.968 5.511 -3.185 1.00 0.00 C ATOM 241 O GLU A 15 -1.226 6.695 -3.401 1.00 0.00 O ATOM 242 CB GLU A 15 -0.990 4.310 -5.406 1.00 0.00 C ATOM 243 CG GLU A 15 0.120 5.313 -5.655 1.00 0.00 C ATOM 244 CD GLU A 15 0.467 5.455 -7.124 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.466 5.569 -7.945 1.00 0.00 O ATOM 246 OE2 GLU A 15 1.672 5.453 -7.452 1.00 0.00 O ATOM 0 H GLU A 15 -3.346 5.548 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.434 3.459 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.595 3.305 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.772 4.457 -6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.180 6.284 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.010 5.007 -5.104 1.00 0.00 H new ATOM 253 N THR A 16 -0.121 5.113 -2.248 1.00 0.00 N ATOM 254 CA THR A 16 0.583 6.052 -1.392 1.00 0.00 C ATOM 255 C THR A 16 2.034 5.630 -1.167 1.00 0.00 C ATOM 256 O THR A 16 2.357 4.443 -1.135 1.00 0.00 O ATOM 257 CB THR A 16 -0.126 6.176 -0.048 1.00 0.00 C ATOM 258 OG1 THR A 16 -0.720 4.945 0.312 1.00 0.00 O ATOM 259 CG2 THR A 16 -1.206 7.237 -0.037 1.00 0.00 C ATOM 0 H THR A 16 0.096 4.134 -2.061 1.00 0.00 H new ATOM 0 HA THR A 16 0.583 7.018 -1.897 1.00 0.00 H new ATOM 0 HB THR A 16 0.645 6.466 0.666 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.599 4.869 -0.114 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.670 7.273 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.765 8.207 -0.266 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.961 6.995 -0.785 1.00 0.00 H new ATOM 267 N LEU A 17 2.885 6.625 -0.985 1.00 0.00 N ATOM 268 CA LEU A 17 4.309 6.421 -0.726 1.00 0.00 C ATOM 269 C LEU A 17 4.717 7.141 0.560 1.00 0.00 C ATOM 270 O LEU A 17 4.545 8.353 0.682 1.00 0.00 O ATOM 271 CB LEU A 17 5.170 6.916 -1.900 1.00 0.00 C ATOM 272 CG LEU A 17 4.587 8.062 -2.738 1.00 0.00 C ATOM 273 CD1 LEU A 17 3.319 7.625 -3.456 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.323 9.281 -1.868 1.00 0.00 C ATOM 0 H LEU A 17 2.610 7.607 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 17 4.478 5.350 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.134 7.237 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.362 6.072 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 17 5.322 8.334 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.928 8.457 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.545 6.789 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.574 7.315 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.910 10.083 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.613 9.021 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.257 9.614 -1.416 1.00 0.00 H new ATOM 286 N THR A 18 5.240 6.393 1.532 1.00 0.00 N ATOM 287 CA THR A 18 5.646 6.980 2.808 1.00 0.00 C ATOM 288 C THR A 18 6.974 6.408 3.311 1.00 0.00 C ATOM 289 O THR A 18 7.328 5.266 3.006 1.00 0.00 O ATOM 290 CB THR A 18 4.549 6.771 3.860 1.00 0.00 C ATOM 291 OG1 THR A 18 4.613 7.776 4.856 1.00 0.00 O ATOM 292 CG2 THR A 18 4.619 5.428 4.562 1.00 0.00 C ATOM 0 H THR A 18 5.391 5.387 1.461 1.00 0.00 H new ATOM 0 HA THR A 18 5.793 8.047 2.642 1.00 0.00 H new ATOM 0 HB THR A 18 3.613 6.817 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.905 7.627 5.517 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.811 5.356 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.519 4.628 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.577 5.334 5.073 1.00 0.00 H new ATOM 300 N LYS A 19 7.695 7.210 4.097 1.00 0.00 N ATOM 301 CA LYS A 19 8.971 6.787 4.667 1.00 0.00 C ATOM 302 C LYS A 19 8.734 5.783 5.785 1.00 0.00 C ATOM 303 O LYS A 19 7.997 6.058 6.733 1.00 0.00 O ATOM 304 CB LYS A 19 9.751 7.992 5.200 1.00 0.00 C ATOM 305 CG LYS A 19 11.056 7.621 5.889 1.00 0.00 C ATOM 306 CD LYS A 19 12.177 8.576 5.515 1.00 0.00 C ATOM 307 CE LYS A 19 13.489 7.837 5.329 1.00 0.00 C ATOM 308 NZ LYS A 19 13.736 7.498 3.901 1.00 0.00 N ATOM 0 H LYS A 19 7.415 8.157 4.352 1.00 0.00 H new ATOM 0 HA LYS A 19 9.561 6.315 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.967 8.668 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.122 8.538 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.913 7.632 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.337 6.604 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.919 9.101 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.289 9.331 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.308 8.451 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.478 6.923 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.642 6.994 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.968 6.891 3.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.772 8.372 3.338 1.00 0.00 H new ATOM 322 N ALA A 20 9.343 4.613 5.660 1.00 0.00 N ATOM 323 CA ALA A 20 9.172 3.562 6.652 1.00 0.00 C ATOM 324 C ALA A 20 10.490 3.142 7.295 1.00 0.00 C ATOM 325 O ALA A 20 10.553 2.133 7.997 1.00 0.00 O ATOM 326 CB ALA A 20 8.490 2.383 6.005 1.00 0.00 C ATOM 0 H ALA A 20 9.958 4.368 4.884 1.00 0.00 H new ATOM 0 HA ALA A 20 8.553 3.954 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.358 1.590 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.516 2.690 5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.102 2.015 5.182 1.00 0.00 H new ATOM 332 N VAL A 21 11.531 3.924 7.065 1.00 0.00 N ATOM 333 CA VAL A 21 12.847 3.644 7.637 1.00 0.00 C ATOM 334 C VAL A 21 13.499 2.406 7.022 1.00 0.00 C ATOM 335 O VAL A 21 14.545 2.506 6.380 1.00 0.00 O ATOM 336 CB VAL A 21 12.766 3.455 9.166 1.00 0.00 C ATOM 337 CG1 VAL A 21 14.161 3.384 9.772 1.00 0.00 C ATOM 338 CG2 VAL A 21 11.956 4.576 9.800 1.00 0.00 C ATOM 0 H VAL A 21 11.495 4.762 6.485 1.00 0.00 H new ATOM 0 HA VAL A 21 13.464 4.513 7.406 1.00 0.00 H new ATOM 0 HB VAL A 21 12.260 2.512 9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.083 3.251 10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.703 2.542 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.698 4.308 9.559 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.910 4.426 10.879 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.431 5.534 9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.946 4.572 9.389 1.00 0.00 H new ATOM 348 N ASP A 22 12.893 1.237 7.231 1.00 0.00 N ATOM 349 CA ASP A 22 13.440 -0.005 6.706 1.00 0.00 C ATOM 350 C ASP A 22 12.455 -0.690 5.757 1.00 0.00 C ATOM 351 O ASP A 22 11.520 -0.069 5.256 1.00 0.00 O ATOM 352 CB ASP A 22 13.801 -0.944 7.860 1.00 0.00 C ATOM 353 CG ASP A 22 15.130 -1.642 7.642 1.00 0.00 C ATOM 354 OD1 ASP A 22 16.178 -0.976 7.768 1.00 0.00 O ATOM 355 OD2 ASP A 22 15.122 -2.855 7.345 1.00 0.00 O ATOM 0 H ASP A 22 12.027 1.129 7.759 1.00 0.00 H new ATOM 0 HA ASP A 22 14.340 0.233 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.840 -0.375 8.789 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.016 -1.691 7.976 1.00 0.00 H new ATOM 360 N ALA A 23 12.688 -1.974 5.516 1.00 0.00 N ATOM 361 CA ALA A 23 11.842 -2.759 4.624 1.00 0.00 C ATOM 362 C ALA A 23 10.641 -3.344 5.360 1.00 0.00 C ATOM 363 O ALA A 23 9.510 -2.907 5.157 1.00 0.00 O ATOM 364 CB ALA A 23 12.653 -3.869 3.970 1.00 0.00 C ATOM 0 H ALA A 23 13.461 -2.497 5.928 1.00 0.00 H new ATOM 0 HA ALA A 23 11.463 -2.090 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.010 -4.447 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.469 -3.432 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.062 -4.523 4.740 1.00 0.00 H new ATOM 370 N GLU A 24 10.891 -4.331 6.218 1.00 0.00 N ATOM 371 CA GLU A 24 9.818 -4.963 6.982 1.00 0.00 C ATOM 372 C GLU A 24 9.060 -3.926 7.799 1.00 0.00 C ATOM 373 O GLU A 24 7.899 -4.122 8.157 1.00 0.00 O ATOM 374 CB GLU A 24 10.366 -6.050 7.902 1.00 0.00 C ATOM 375 CG GLU A 24 11.439 -6.914 7.259 1.00 0.00 C ATOM 376 CD GLU A 24 11.240 -8.392 7.533 1.00 0.00 C ATOM 377 OE1 GLU A 24 10.676 -8.727 8.598 1.00 0.00 O ATOM 378 OE2 GLU A 24 11.645 -9.213 6.685 1.00 0.00 O ATOM 0 H GLU A 24 11.821 -4.708 6.401 1.00 0.00 H new ATOM 0 HA GLU A 24 9.132 -5.425 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.777 -5.583 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.544 -6.688 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.439 -6.745 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.417 -6.608 7.630 1.00 0.00 H new ATOM 385 N THR A 25 9.720 -2.807 8.049 1.00 0.00 N ATOM 386 CA THR A 25 9.120 -1.703 8.773 1.00 0.00 C ATOM 387 C THR A 25 8.119 -1.050 7.848 1.00 0.00 C ATOM 388 O THR A 25 7.024 -0.671 8.253 1.00 0.00 O ATOM 389 CB THR A 25 10.182 -0.696 9.216 1.00 0.00 C ATOM 390 OG1 THR A 25 11.362 -1.362 9.631 1.00 0.00 O ATOM 391 CG2 THR A 25 9.729 0.189 10.356 1.00 0.00 C ATOM 0 H THR A 25 10.683 -2.640 7.756 1.00 0.00 H new ATOM 0 HA THR A 25 8.630 -2.065 9.677 1.00 0.00 H new ATOM 0 HB THR A 25 10.368 -0.070 8.344 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.968 -0.720 10.056 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.530 0.880 10.621 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.849 0.754 10.050 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.482 -0.428 11.220 1.00 0.00 H new ATOM 399 N ALA A 26 8.489 -0.992 6.574 1.00 0.00 N ATOM 400 CA ALA A 26 7.612 -0.464 5.554 1.00 0.00 C ATOM 401 C ALA A 26 6.606 -1.546 5.205 1.00 0.00 C ATOM 402 O ALA A 26 5.521 -1.276 4.703 1.00 0.00 O ATOM 403 CB ALA A 26 8.402 -0.043 4.326 1.00 0.00 C ATOM 0 H ALA A 26 9.396 -1.307 6.229 1.00 0.00 H new ATOM 0 HA ALA A 26 7.098 0.424 5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.720 0.351 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.122 0.728 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.932 -0.905 3.921 1.00 0.00 H new ATOM 409 N ARG A 27 6.981 -2.785 5.504 1.00 0.00 N ATOM 410 CA ARG A 27 6.118 -3.920 5.254 1.00 0.00 C ATOM 411 C ARG A 27 5.044 -3.996 6.321 1.00 0.00 C ATOM 412 O ARG A 27 3.888 -4.263 6.020 1.00 0.00 O ATOM 413 CB ARG A 27 6.931 -5.217 5.231 1.00 0.00 C ATOM 414 CG ARG A 27 6.188 -6.390 4.613 1.00 0.00 C ATOM 415 CD ARG A 27 6.418 -6.465 3.113 1.00 0.00 C ATOM 416 NE ARG A 27 6.642 -7.836 2.661 1.00 0.00 N ATOM 417 CZ ARG A 27 7.767 -8.513 2.875 1.00 0.00 C ATOM 418 NH1 ARG A 27 8.774 -7.949 3.535 1.00 0.00 N ATOM 419 NH2 ARG A 27 7.888 -9.756 2.431 1.00 0.00 N ATOM 0 H ARG A 27 7.881 -3.023 5.921 1.00 0.00 H new ATOM 0 HA ARG A 27 5.645 -3.792 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.853 -5.048 4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.217 -5.475 6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.518 -7.318 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.121 -6.294 4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.556 -6.048 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.278 -5.851 2.847 1.00 0.00 H new ATOM 0 HE ARG A 27 5.891 -8.302 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.686 -6.993 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.635 -8.472 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.118 -10.194 1.925 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.751 -10.275 2.595 1.00 0.00 H new ATOM 433 N ASN A 28 5.441 -3.757 7.566 1.00 0.00 N ATOM 434 CA ASN A 28 4.507 -3.806 8.689 1.00 0.00 C ATOM 435 C ASN A 28 3.892 -2.440 8.987 1.00 0.00 C ATOM 436 O ASN A 28 2.682 -2.326 9.166 1.00 0.00 O ATOM 437 CB ASN A 28 5.214 -4.341 9.936 1.00 0.00 C ATOM 438 CG ASN A 28 4.407 -5.412 10.642 1.00 0.00 C ATOM 439 OD1 ASN A 28 3.187 -5.307 10.764 1.00 0.00 O ATOM 440 ND2 ASN A 28 5.087 -6.452 11.113 1.00 0.00 N ATOM 0 H ASN A 28 6.401 -3.528 7.825 1.00 0.00 H new ATOM 0 HA ASN A 28 3.696 -4.478 8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.185 -4.748 9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.402 -3.518 10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.598 -7.204 11.598 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.098 -6.498 10.989 1.00 0.00 H new ATOM 447 N ALA A 29 4.726 -1.408 9.066 1.00 0.00 N ATOM 448 CA ALA A 29 4.245 -0.061 9.371 1.00 0.00 C ATOM 449 C ALA A 29 3.425 0.531 8.229 1.00 0.00 C ATOM 450 O ALA A 29 2.327 1.045 8.447 1.00 0.00 O ATOM 451 CB ALA A 29 5.414 0.855 9.699 1.00 0.00 C ATOM 0 H ALA A 29 5.734 -1.476 8.924 1.00 0.00 H new ATOM 0 HA ALA A 29 3.590 -0.142 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.041 1.854 9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.951 0.465 10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.089 0.903 8.845 1.00 0.00 H new ATOM 457 N PHE A 30 3.964 0.475 7.017 1.00 0.00 N ATOM 458 CA PHE A 30 3.276 1.027 5.854 1.00 0.00 C ATOM 459 C PHE A 30 1.992 0.264 5.547 1.00 0.00 C ATOM 460 O PHE A 30 0.941 0.870 5.348 1.00 0.00 O ATOM 461 CB PHE A 30 4.203 1.011 4.632 1.00 0.00 C ATOM 462 CG PHE A 30 3.899 2.048 3.581 1.00 0.00 C ATOM 463 CD1 PHE A 30 2.965 3.052 3.791 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.564 2.004 2.367 1.00 0.00 C ATOM 465 CE1 PHE A 30 2.706 3.990 2.809 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.309 2.936 1.383 1.00 0.00 C ATOM 467 CZ PHE A 30 3.378 3.931 1.603 1.00 0.00 C ATOM 0 H PHE A 30 4.871 0.055 6.813 1.00 0.00 H new ATOM 0 HA PHE A 30 3.005 2.057 6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.229 1.152 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.153 0.024 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.435 3.101 4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.293 1.228 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.979 4.769 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.837 2.887 0.442 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.175 4.662 0.834 1.00 0.00 H new ATOM 477 N ILE A 31 2.076 -1.063 5.492 1.00 0.00 N ATOM 478 CA ILE A 31 0.923 -1.884 5.193 1.00 0.00 C ATOM 479 C ILE A 31 -0.299 -1.515 6.032 1.00 0.00 C ATOM 480 O ILE A 31 -1.427 -1.601 5.557 1.00 0.00 O ATOM 481 CB ILE A 31 1.268 -3.358 5.388 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.225 -4.242 4.742 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.438 -3.703 6.848 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.849 -5.379 3.984 1.00 0.00 C ATOM 0 H ILE A 31 2.937 -1.587 5.652 1.00 0.00 H new ATOM 0 HA ILE A 31 0.660 -1.699 4.151 1.00 0.00 H new ATOM 0 HB ILE A 31 2.224 -3.540 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.441 -4.638 5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.387 -3.646 4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.683 -4.761 6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.243 -3.103 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.511 -3.494 7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.066 -5.990 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.494 -4.983 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.440 -5.990 4.666 1.00 0.00 H new ATOM 496 N GLN A 32 -0.072 -1.103 7.273 1.00 0.00 N ATOM 497 CA GLN A 32 -1.175 -0.725 8.156 1.00 0.00 C ATOM 498 C GLN A 32 -1.827 0.565 7.683 1.00 0.00 C ATOM 499 O GLN A 32 -3.050 0.650 7.558 1.00 0.00 O ATOM 500 CB GLN A 32 -0.684 -0.552 9.593 1.00 0.00 C ATOM 501 CG GLN A 32 0.262 -1.646 10.049 1.00 0.00 C ATOM 502 CD GLN A 32 -0.295 -2.462 11.199 1.00 0.00 C ATOM 503 OE1 GLN A 32 -0.527 -1.941 12.291 1.00 0.00 O ATOM 504 NE2 GLN A 32 -0.511 -3.750 10.960 1.00 0.00 N ATOM 0 H GLN A 32 0.855 -1.022 7.690 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.913 -1.527 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.182 0.411 9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.545 -0.526 10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.476 -2.308 9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.209 -1.199 10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.304 -4.140 10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.884 -4.350 11.696 1.00 0.00 H new ATOM 513 N SER A 33 -1.001 1.567 7.421 1.00 0.00 N ATOM 514 CA SER A 33 -1.488 2.857 6.962 1.00 0.00 C ATOM 515 C SER A 33 -1.983 2.761 5.531 1.00 0.00 C ATOM 516 O SER A 33 -3.036 3.299 5.191 1.00 0.00 O ATOM 517 CB SER A 33 -0.388 3.916 7.071 1.00 0.00 C ATOM 518 OG SER A 33 -0.709 5.066 6.306 1.00 0.00 O ATOM 0 H SER A 33 0.013 1.510 7.519 1.00 0.00 H new ATOM 0 HA SER A 33 -2.321 3.154 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.251 4.197 8.115 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.558 3.499 6.727 1.00 0.00 H new ATOM 0 HG SER A 33 0.008 5.728 6.394 1.00 0.00 H new ATOM 524 N LEU A 34 -1.232 2.058 4.694 1.00 0.00 N ATOM 525 CA LEU A 34 -1.622 1.885 3.307 1.00 0.00 C ATOM 526 C LEU A 34 -2.947 1.152 3.257 1.00 0.00 C ATOM 527 O LEU A 34 -3.824 1.476 2.458 1.00 0.00 O ATOM 528 CB LEU A 34 -0.520 1.149 2.526 1.00 0.00 C ATOM 529 CG LEU A 34 -0.939 0.012 1.580 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.372 -1.223 2.350 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.036 0.452 0.650 1.00 0.00 C ATOM 0 H LEU A 34 -0.356 1.603 4.951 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.749 2.856 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.023 1.889 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.184 0.738 3.250 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.063 -0.246 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.661 -2.006 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.545 -1.575 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.221 -0.975 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.310 -0.374 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.906 0.757 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.688 1.292 0.049 1.00 0.00 H new ATOM 543 N LYS A 35 -3.103 0.193 4.154 1.00 0.00 N ATOM 544 CA LYS A 35 -4.340 -0.552 4.243 1.00 0.00 C ATOM 545 C LYS A 35 -5.375 0.308 4.935 1.00 0.00 C ATOM 546 O LYS A 35 -6.568 0.216 4.659 1.00 0.00 O ATOM 547 CB LYS A 35 -4.135 -1.854 4.999 1.00 0.00 C ATOM 548 CG LYS A 35 -3.551 -2.959 4.130 1.00 0.00 C ATOM 549 CD LYS A 35 -4.261 -4.284 4.356 1.00 0.00 C ATOM 550 CE LYS A 35 -3.444 -5.213 5.242 1.00 0.00 C ATOM 551 NZ LYS A 35 -2.903 -6.373 4.481 1.00 0.00 N ATOM 0 H LYS A 35 -2.389 -0.085 4.827 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.683 -0.806 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.472 -1.676 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.090 -2.186 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.631 -2.677 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.489 -3.072 4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.233 -4.103 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.447 -4.766 3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.620 -4.657 5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.066 -5.574 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.353 -6.981 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.689 -6.919 4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.288 -6.030 3.715 1.00 0.00 H new ATOM 565 N ASP A 36 -4.901 1.182 5.816 1.00 0.00 N ATOM 566 CA ASP A 36 -5.796 2.094 6.510 1.00 0.00 C ATOM 567 C ASP A 36 -6.670 2.814 5.486 1.00 0.00 C ATOM 568 O ASP A 36 -7.794 3.218 5.782 1.00 0.00 O ATOM 569 CB ASP A 36 -5.002 3.109 7.335 1.00 0.00 C ATOM 570 CG ASP A 36 -5.855 3.790 8.387 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.510 3.077 9.174 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.866 5.039 8.423 1.00 0.00 O ATOM 0 H ASP A 36 -3.916 1.277 6.063 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.426 1.524 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.166 2.605 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.579 3.862 6.670 1.00 0.00 H new ATOM 577 N ASP A 37 -6.140 2.952 4.266 1.00 0.00 N ATOM 578 CA ASP A 37 -6.869 3.599 3.181 1.00 0.00 C ATOM 579 C ASP A 37 -7.626 2.566 2.346 1.00 0.00 C ATOM 580 O ASP A 37 -8.816 2.723 2.075 1.00 0.00 O ATOM 581 CB ASP A 37 -5.904 4.385 2.291 1.00 0.00 C ATOM 582 CG ASP A 37 -5.807 5.844 2.690 1.00 0.00 C ATOM 583 OD1 ASP A 37 -6.787 6.586 2.468 1.00 0.00 O ATOM 584 OD2 ASP A 37 -4.752 6.244 3.224 1.00 0.00 O ATOM 0 H ASP A 37 -5.209 2.623 4.010 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.592 4.288 3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.915 3.931 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.233 4.316 1.254 1.00 0.00 H new ATOM 589 N GLY A 38 -6.923 1.507 1.944 1.00 0.00 N ATOM 590 CA GLY A 38 -7.539 0.460 1.144 1.00 0.00 C ATOM 591 C GLY A 38 -7.190 -0.931 1.643 1.00 0.00 C ATOM 592 O GLY A 38 -6.692 -1.766 0.887 1.00 0.00 O ATOM 0 H GLY A 38 -5.937 1.356 2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.622 0.586 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.218 0.562 0.107 1.00 0.00 H new ATOM 596 N VAL A 39 -7.444 -1.171 2.925 1.00 0.00 N ATOM 597 CA VAL A 39 -7.154 -2.460 3.552 1.00 0.00 C ATOM 598 C VAL A 39 -7.726 -3.628 2.752 1.00 0.00 C ATOM 599 O VAL A 39 -7.073 -4.660 2.600 1.00 0.00 O ATOM 600 CB VAL A 39 -7.707 -2.525 4.998 1.00 0.00 C ATOM 601 CG1 VAL A 39 -9.032 -1.784 5.115 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.865 -3.972 5.446 1.00 0.00 C ATOM 0 H VAL A 39 -7.854 -0.484 3.557 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.068 -2.547 3.575 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.988 -2.034 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.395 -1.847 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.889 -0.738 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.762 -2.236 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.254 -3.997 6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.558 -4.486 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.896 -4.470 5.416 1.00 0.00 H new ATOM 612 N GLN A 40 -8.956 -3.460 2.282 1.00 0.00 N ATOM 613 CA GLN A 40 -9.672 -4.492 1.516 1.00 0.00 C ATOM 614 C GLN A 40 -8.736 -5.348 0.667 1.00 0.00 C ATOM 615 O GLN A 40 -9.012 -6.520 0.411 1.00 0.00 O ATOM 616 CB GLN A 40 -10.717 -3.850 0.598 1.00 0.00 C ATOM 617 CG GLN A 40 -11.370 -2.607 1.180 1.00 0.00 C ATOM 618 CD GLN A 40 -12.601 -2.180 0.410 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.382 -3.015 -0.052 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.785 -0.874 0.264 1.00 0.00 N ATOM 0 H GLN A 40 -9.493 -2.604 2.418 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.154 -5.138 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.243 -3.590 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.491 -4.585 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.643 -2.797 2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.648 -1.790 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.114 -0.217 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.597 -0.527 -0.246 1.00 0.00 H new ATOM 629 N GLY A 41 -7.637 -4.756 0.227 1.00 0.00 N ATOM 630 CA GLY A 41 -6.688 -5.478 -0.599 1.00 0.00 C ATOM 631 C GLY A 41 -5.393 -5.808 0.119 1.00 0.00 C ATOM 632 O GLY A 41 -5.059 -5.197 1.135 1.00 0.00 O ATOM 0 H GLY A 41 -7.383 -3.788 0.426 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.149 -6.403 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.463 -4.884 -1.485 1.00 0.00 H new ATOM 636 N VAL A 42 -4.656 -6.764 -0.433 1.00 0.00 N ATOM 637 CA VAL A 42 -3.371 -7.177 0.124 1.00 0.00 C ATOM 638 C VAL A 42 -2.270 -6.877 -0.881 1.00 0.00 C ATOM 639 O VAL A 42 -2.452 -7.104 -2.077 1.00 0.00 O ATOM 640 CB VAL A 42 -3.356 -8.680 0.477 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.488 -9.530 -0.778 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.090 -9.035 1.239 1.00 0.00 C ATOM 0 H VAL A 42 -4.929 -7.273 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.205 -6.618 1.045 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.212 -8.891 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.475 -10.585 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.427 -9.296 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.656 -9.318 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.096 -10.098 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.219 -8.807 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.045 -8.455 2.161 1.00 0.00 H new ATOM 652 N TRP A 43 -1.146 -6.325 -0.428 1.00 0.00 N ATOM 653 CA TRP A 43 -0.090 -5.974 -1.367 1.00 0.00 C ATOM 654 C TRP A 43 1.004 -7.012 -1.526 1.00 0.00 C ATOM 655 O TRP A 43 1.242 -7.857 -0.664 1.00 0.00 O ATOM 656 CB TRP A 43 0.536 -4.618 -1.028 1.00 0.00 C ATOM 657 CG TRP A 43 1.489 -4.594 0.144 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.260 -5.610 0.650 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.783 -3.452 0.941 1.00 0.00 C ATOM 660 NE1 TRP A 43 3.007 -5.154 1.708 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.730 -3.829 1.904 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.331 -2.140 0.927 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.231 -2.933 2.842 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.825 -1.250 1.856 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.765 -1.645 2.799 1.00 0.00 C ATOM 0 H TRP A 43 -0.948 -6.118 0.551 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.601 -5.923 -2.328 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.068 -4.257 -1.908 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.269 -3.910 -0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.277 -6.621 0.271 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.661 -5.712 2.257 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.602 -1.821 0.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.960 -3.241 3.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.475 -0.228 1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.136 -0.923 3.512 1.00 0.00 H new ATOM 676 N THR A 44 1.688 -6.875 -2.654 1.00 0.00 N ATOM 677 CA THR A 44 2.822 -7.702 -3.015 1.00 0.00 C ATOM 678 C THR A 44 3.947 -6.774 -3.445 1.00 0.00 C ATOM 679 O THR A 44 3.952 -6.277 -4.571 1.00 0.00 O ATOM 680 CB THR A 44 2.459 -8.671 -4.135 1.00 0.00 C ATOM 681 OG1 THR A 44 1.316 -8.222 -4.842 1.00 0.00 O ATOM 682 CG2 THR A 44 2.169 -10.058 -3.620 1.00 0.00 C ATOM 0 H THR A 44 1.462 -6.170 -3.355 1.00 0.00 H new ATOM 0 HA THR A 44 3.133 -8.307 -2.163 1.00 0.00 H new ATOM 0 HB THR A 44 3.327 -8.708 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.103 -8.858 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.916 -10.711 -4.455 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.049 -10.448 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.332 -10.020 -2.923 1.00 0.00 H new ATOM 690 N TYR A 45 4.864 -6.491 -2.533 1.00 0.00 N ATOM 691 CA TYR A 45 5.951 -5.567 -2.828 1.00 0.00 C ATOM 692 C TYR A 45 7.209 -6.273 -3.309 1.00 0.00 C ATOM 693 O TYR A 45 7.550 -7.363 -2.853 1.00 0.00 O ATOM 694 CB TYR A 45 6.243 -4.681 -1.606 1.00 0.00 C ATOM 695 CG TYR A 45 7.701 -4.343 -1.367 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.638 -5.318 -1.029 1.00 0.00 C ATOM 697 CD2 TYR A 45 8.134 -3.029 -1.478 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.960 -4.986 -0.808 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.453 -2.693 -1.257 1.00 0.00 C ATOM 700 CZ TYR A 45 10.362 -3.673 -0.923 1.00 0.00 C ATOM 701 OH TYR A 45 11.678 -3.339 -0.702 1.00 0.00 O ATOM 0 H TYR A 45 4.879 -6.883 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 45 5.623 -4.935 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.687 -3.750 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.856 -5.181 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.326 -6.348 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.426 -2.257 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.675 -5.752 -0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.772 -1.665 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 45 11.726 -2.443 -0.308 1.00 0.00 H new ATOM 711 N ASP A 46 7.901 -5.612 -4.230 1.00 0.00 N ATOM 712 CA ASP A 46 9.139 -6.123 -4.789 1.00 0.00 C ATOM 713 C ASP A 46 10.325 -5.370 -4.204 1.00 0.00 C ATOM 714 O ASP A 46 10.171 -4.266 -3.675 1.00 0.00 O ATOM 715 CB ASP A 46 9.127 -5.978 -6.306 1.00 0.00 C ATOM 716 CG ASP A 46 9.578 -7.246 -7.012 1.00 0.00 C ATOM 717 OD1 ASP A 46 9.353 -8.342 -6.457 1.00 0.00 O ATOM 718 OD2 ASP A 46 10.152 -7.138 -8.113 1.00 0.00 O ATOM 0 H ASP A 46 7.617 -4.708 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 46 9.230 -7.179 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.121 -5.720 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.778 -5.153 -6.595 1.00 0.00 H new ATOM 723 N ASP A 47 11.504 -5.958 -4.325 1.00 0.00 N ATOM 724 CA ASP A 47 12.722 -5.341 -3.829 1.00 0.00 C ATOM 725 C ASP A 47 13.403 -4.613 -4.969 1.00 0.00 C ATOM 726 O ASP A 47 14.006 -3.555 -4.795 1.00 0.00 O ATOM 727 CB ASP A 47 13.648 -6.413 -3.265 1.00 0.00 C ATOM 728 CG ASP A 47 13.984 -6.184 -1.805 1.00 0.00 C ATOM 729 OD1 ASP A 47 13.055 -6.214 -0.969 1.00 0.00 O ATOM 730 OD2 ASP A 47 15.175 -5.975 -1.495 1.00 0.00 O ATOM 0 H ASP A 47 11.643 -6.867 -4.765 1.00 0.00 H new ATOM 0 HA ASP A 47 12.483 -4.633 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.177 -7.390 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.569 -6.435 -3.847 1.00 0.00 H new ATOM 735 N ALA A 48 13.272 -5.204 -6.145 1.00 0.00 N ATOM 736 CA ALA A 48 13.834 -4.653 -7.359 1.00 0.00 C ATOM 737 C ALA A 48 13.269 -3.264 -7.621 1.00 0.00 C ATOM 738 O ALA A 48 13.962 -2.369 -8.105 1.00 0.00 O ATOM 739 CB ALA A 48 13.499 -5.579 -8.504 1.00 0.00 C ATOM 0 H ALA A 48 12.771 -6.082 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 48 14.916 -4.563 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.915 -5.179 -9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.923 -6.564 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.416 -5.663 -8.600 1.00 0.00 H new ATOM 745 N THR A 49 11.993 -3.108 -7.305 1.00 0.00 N ATOM 746 CA THR A 49 11.297 -1.844 -7.506 1.00 0.00 C ATOM 747 C THR A 49 11.166 -1.079 -6.196 1.00 0.00 C ATOM 748 O THR A 49 11.346 0.139 -6.157 1.00 0.00 O ATOM 749 CB THR A 49 9.911 -2.104 -8.094 1.00 0.00 C ATOM 750 OG1 THR A 49 9.019 -2.554 -7.091 1.00 0.00 O ATOM 751 CG2 THR A 49 9.914 -3.132 -9.192 1.00 0.00 C ATOM 0 H THR A 49 11.414 -3.846 -6.905 1.00 0.00 H new ATOM 0 HA THR A 49 11.880 -1.238 -8.200 1.00 0.00 H new ATOM 0 HB THR A 49 9.590 -1.149 -8.511 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.121 -2.204 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.899 -3.269 -9.565 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.557 -2.794 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.288 -4.079 -8.803 1.00 0.00 H new ATOM 759 N LYS A 50 10.827 -1.804 -5.129 1.00 0.00 N ATOM 760 CA LYS A 50 10.638 -1.214 -3.807 1.00 0.00 C ATOM 761 C LYS A 50 9.245 -0.625 -3.718 1.00 0.00 C ATOM 762 O LYS A 50 9.031 0.471 -3.192 1.00 0.00 O ATOM 763 CB LYS A 50 11.679 -0.137 -3.528 1.00 0.00 C ATOM 764 CG LYS A 50 13.087 -0.533 -3.941 1.00 0.00 C ATOM 765 CD LYS A 50 13.791 0.592 -4.682 1.00 0.00 C ATOM 766 CE LYS A 50 14.610 1.444 -3.734 1.00 0.00 C ATOM 767 NZ LYS A 50 15.524 0.628 -2.889 1.00 0.00 N ATOM 0 H LYS A 50 10.677 -2.812 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 50 10.759 -1.996 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.397 0.775 -4.055 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.673 0.096 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.664 -0.803 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.045 -1.417 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.440 0.174 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.054 1.214 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.194 2.163 -4.308 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.940 2.017 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.312 1.221 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.001 0.257 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.899 -0.165 -3.448 1.00 0.00 H new ATOM 781 N THR A 51 8.305 -1.362 -4.281 1.00 0.00 N ATOM 782 CA THR A 51 6.922 -0.931 -4.319 1.00 0.00 C ATOM 783 C THR A 51 5.966 -2.069 -4.003 1.00 0.00 C ATOM 784 O THR A 51 6.157 -3.192 -4.461 1.00 0.00 O ATOM 785 CB THR A 51 6.618 -0.374 -5.703 1.00 0.00 C ATOM 786 OG1 THR A 51 6.906 -1.331 -6.705 1.00 0.00 O ATOM 787 CG2 THR A 51 7.405 0.871 -6.014 1.00 0.00 C ATOM 0 H THR A 51 8.477 -2.266 -4.720 1.00 0.00 H new ATOM 0 HA THR A 51 6.780 -0.164 -3.558 1.00 0.00 H new ATOM 0 HB THR A 51 5.556 -0.127 -5.697 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.703 -0.953 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.148 1.224 -7.013 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.167 1.644 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.471 0.648 -5.971 1.00 0.00 H new ATOM 795 N PHE A 52 4.913 -1.760 -3.251 1.00 0.00 N ATOM 796 CA PHE A 52 3.905 -2.760 -2.913 1.00 0.00 C ATOM 797 C PHE A 52 2.583 -2.407 -3.581 1.00 0.00 C ATOM 798 O PHE A 52 2.284 -1.237 -3.794 1.00 0.00 O ATOM 799 CB PHE A 52 3.704 -2.909 -1.389 1.00 0.00 C ATOM 800 CG PHE A 52 4.646 -2.111 -0.520 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.756 -0.735 -0.647 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.430 -2.753 0.432 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.627 -0.022 0.152 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.301 -2.045 1.227 1.00 0.00 C ATOM 805 CZ PHE A 52 6.403 -0.680 1.087 1.00 0.00 C ATOM 0 H PHE A 52 4.736 -0.832 -2.867 1.00 0.00 H new ATOM 0 HA PHE A 52 4.265 -3.720 -3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.682 -2.618 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.806 -3.963 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.154 -0.216 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.354 -3.824 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.702 1.050 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.904 -2.560 1.960 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.089 -0.123 1.708 1.00 0.00 H new ATOM 815 N THR A 53 1.802 -3.420 -3.930 1.00 0.00 N ATOM 816 CA THR A 53 0.527 -3.195 -4.579 1.00 0.00 C ATOM 817 C THR A 53 -0.592 -3.891 -3.803 1.00 0.00 C ATOM 818 O THR A 53 -0.766 -5.103 -3.921 1.00 0.00 O ATOM 819 CB THR A 53 0.591 -3.713 -6.020 1.00 0.00 C ATOM 820 OG1 THR A 53 1.416 -2.886 -6.818 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.758 -3.791 -6.681 1.00 0.00 C ATOM 0 H THR A 53 2.032 -4.401 -3.773 1.00 0.00 H new ATOM 0 HA THR A 53 0.312 -2.126 -4.596 1.00 0.00 H new ATOM 0 HB THR A 53 1.002 -4.720 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.443 -3.237 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.644 -4.165 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.401 -4.466 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.208 -2.799 -6.708 1.00 0.00 H new ATOM 829 N VAL A 54 -1.353 -3.125 -3.016 1.00 0.00 N ATOM 830 CA VAL A 54 -2.445 -3.694 -2.225 1.00 0.00 C ATOM 831 C VAL A 54 -3.647 -4.008 -3.110 1.00 0.00 C ATOM 832 O VAL A 54 -4.483 -3.154 -3.388 1.00 0.00 O ATOM 833 CB VAL A 54 -2.854 -2.759 -1.049 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.351 -2.780 -0.781 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.106 -3.149 0.211 1.00 0.00 C ATOM 0 H VAL A 54 -1.234 -2.117 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.083 -4.626 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.588 -1.744 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.582 -2.111 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.885 -2.450 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.661 -3.794 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.399 -2.489 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.347 -4.179 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.033 -3.060 0.040 1.00 0.00 H new ATOM 845 N GLN A 55 -3.713 -5.251 -3.552 1.00 0.00 N ATOM 846 CA GLN A 55 -4.795 -5.695 -4.414 1.00 0.00 C ATOM 847 C GLN A 55 -5.784 -6.572 -3.656 1.00 0.00 C ATOM 848 O GLN A 55 -5.396 -7.519 -2.971 1.00 0.00 O ATOM 849 CB GLN A 55 -4.231 -6.468 -5.604 1.00 0.00 C ATOM 850 CG GLN A 55 -3.487 -5.611 -6.610 1.00 0.00 C ATOM 851 CD GLN A 55 -3.598 -6.150 -8.023 1.00 0.00 C ATOM 852 OE1 GLN A 55 -4.678 -6.158 -8.614 1.00 0.00 O ATOM 853 NE2 GLN A 55 -2.478 -6.606 -8.572 1.00 0.00 N ATOM 0 H GLN A 55 -3.028 -5.973 -3.328 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.325 -4.811 -4.769 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.557 -7.241 -5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.050 -6.977 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.881 -4.595 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.436 -5.554 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.605 -6.580 -8.046 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.491 -6.982 -9.520 1.00 0.00 H new ATOM 862 N ALA A 56 -7.063 -6.251 -3.791 1.00 0.00 N ATOM 863 CA ALA A 56 -8.120 -7.006 -3.129 1.00 0.00 C ATOM 864 C ALA A 56 -8.801 -7.961 -4.104 1.00 0.00 C ATOM 865 O ALA A 56 -9.809 -8.585 -3.713 1.00 0.00 O ATOM 866 CB ALA A 56 -9.141 -6.061 -2.516 1.00 0.00 C ATOM 867 OXT ALA A 56 -8.320 -8.076 -5.252 1.00 0.00 O ATOM 0 H ALA A 56 -7.396 -5.469 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.667 -7.598 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.924 -6.640 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.650 -5.420 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.582 -5.444 -3.299 1.00 0.00 H new