USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 404 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 Single : A 1 VAL N :NH3+ -139:sc= -0.173 (180deg=-1.31) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 15 TYR OH : rot 65:sc= 1.25 USER MOD Single : A 18 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.42) USER MOD Single : A 23 MET CE :methyl -164:sc= -0.0185 (180deg=-0.329) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.581 K(o=-0.58,f=-0.0025) USER MOD Single : A 39 TYR OH : rot 146:sc= 0.35 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0.704 USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= 1.21 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.637 19.866 6.885 1.00 0.00 N ATOM 2 CA VAL A 1 5.380 20.515 6.444 1.00 0.00 C ATOM 3 C VAL A 1 4.209 19.677 6.824 1.00 0.00 C ATOM 4 O VAL A 1 4.329 18.460 6.960 1.00 0.00 O ATOM 5 CB VAL A 1 5.465 20.813 4.977 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.260 21.617 4.462 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.737 21.616 4.655 1.00 0.00 C ATOM 0 H1 VAL A 1 7.283 20.585 7.269 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.425 19.162 7.621 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.087 19.394 6.075 1.00 0.00 H new ATOM 0 HA VAL A 1 5.239 21.470 6.951 1.00 0.00 H new ATOM 0 HB VAL A 1 5.481 19.843 4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.376 21.803 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.345 21.051 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.204 22.568 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.777 21.820 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.722 22.558 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.615 21.040 4.947 1.00 0.00 H new ATOM 19 N VAL A 2 3.022 20.260 7.070 1.00 0.00 N ATOM 20 CA VAL A 2 1.924 19.580 7.685 1.00 0.00 C ATOM 21 C VAL A 2 1.056 18.862 6.709 1.00 0.00 C ATOM 22 O VAL A 2 0.470 19.446 5.799 1.00 0.00 O ATOM 23 CB VAL A 2 1.094 20.535 8.491 1.00 0.00 C ATOM 24 CG1 VAL A 2 -0.157 19.861 9.080 1.00 0.00 C ATOM 25 CG2 VAL A 2 1.949 21.090 9.643 1.00 0.00 C ATOM 0 H VAL A 2 2.820 21.232 6.835 1.00 0.00 H new ATOM 0 HA VAL A 2 2.364 18.827 8.339 1.00 0.00 H new ATOM 0 HB VAL A 2 0.763 21.333 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.727 20.591 9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.776 19.473 8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.144 19.041 9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.354 21.786 10.235 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.284 20.268 10.276 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.816 21.610 9.235 1.00 0.00 H new ATOM 35 N SER A 3 0.933 17.534 6.884 1.00 0.00 N ATOM 36 CA SER A 3 0.076 16.673 6.130 1.00 0.00 C ATOM 37 C SER A 3 -1.124 16.265 6.912 1.00 0.00 C ATOM 38 O SER A 3 -1.108 16.201 8.141 1.00 0.00 O ATOM 39 CB SER A 3 0.780 15.399 5.633 1.00 0.00 C ATOM 40 OG SER A 3 1.371 14.634 6.672 1.00 0.00 O ATOM 0 H SER A 3 1.464 17.032 7.595 1.00 0.00 H new ATOM 0 HA SER A 3 -0.222 17.266 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.058 14.779 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.551 15.677 4.914 1.00 0.00 H new ATOM 0 HG SER A 3 1.799 13.839 6.290 1.00 0.00 H new ATOM 46 N HIS A 4 -2.238 15.963 6.220 1.00 0.00 N ATOM 47 CA HIS A 4 -3.360 15.273 6.775 1.00 0.00 C ATOM 48 C HIS A 4 -3.476 13.955 6.089 1.00 0.00 C ATOM 49 O HIS A 4 -2.951 13.761 4.993 1.00 0.00 O ATOM 50 CB HIS A 4 -4.691 16.024 6.605 1.00 0.00 C ATOM 51 CG HIS A 4 -4.738 17.367 7.272 1.00 0.00 C ATOM 52 ND1 HIS A 4 -5.890 18.108 7.264 1.00 0.00 N ATOM 53 CD2 HIS A 4 -3.792 18.123 7.890 1.00 0.00 C ATOM 54 CE1 HIS A 4 -5.658 19.270 7.847 1.00 0.00 C ATOM 55 NE2 HIS A 4 -4.396 19.304 8.230 1.00 0.00 N ATOM 0 H HIS A 4 -2.361 16.209 5.238 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.183 15.176 7.846 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.887 16.154 5.541 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -5.496 15.406 7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.765 17.846 8.076 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.381 20.060 7.987 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.943 20.085 8.704 1.00 0.00 H new ATOM 64 N PHE A 5 -4.181 12.991 6.708 1.00 0.00 N ATOM 65 CA PHE A 5 -4.227 11.638 6.249 1.00 0.00 C ATOM 66 C PHE A 5 -5.414 11.413 5.378 1.00 0.00 C ATOM 67 O PHE A 5 -6.566 11.482 5.803 1.00 0.00 O ATOM 68 CB PHE A 5 -4.229 10.683 7.456 1.00 0.00 C ATOM 69 CG PHE A 5 -3.331 9.522 7.202 1.00 0.00 C ATOM 70 CD1 PHE A 5 -3.718 8.522 6.340 1.00 0.00 C ATOM 71 CD2 PHE A 5 -2.081 9.470 7.772 1.00 0.00 C ATOM 72 CE1 PHE A 5 -2.861 7.490 6.043 1.00 0.00 C ATOM 73 CE2 PHE A 5 -1.221 8.436 7.489 1.00 0.00 C ATOM 74 CZ PHE A 5 -1.612 7.447 6.617 1.00 0.00 C ATOM 0 H PHE A 5 -4.733 13.157 7.549 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.341 11.436 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.902 11.215 8.349 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.243 10.331 7.648 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.701 8.548 5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.771 10.251 8.450 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.168 6.713 5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.244 8.400 7.949 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.938 6.636 6.383 1.00 0.00 H new ATOM 84 N ASN A 6 -5.165 11.146 4.083 1.00 0.00 N ATOM 85 CA ASN A 6 -6.172 10.984 3.080 1.00 0.00 C ATOM 86 C ASN A 6 -6.005 9.668 2.401 1.00 0.00 C ATOM 87 O ASN A 6 -5.039 8.942 2.630 1.00 0.00 O ATOM 88 CB ASN A 6 -6.081 12.114 2.041 1.00 0.00 C ATOM 89 CG ASN A 6 -6.442 13.454 2.666 1.00 0.00 C ATOM 90 OD1 ASN A 6 -7.614 13.763 2.872 1.00 0.00 O ATOM 91 ND2 ASN A 6 -5.417 14.296 2.966 1.00 0.00 N ATOM 0 H ASN A 6 -4.218 11.038 3.719 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.150 11.023 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.071 12.158 1.633 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.752 11.903 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.611 15.211 3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.454 14.013 2.784 1.00 0.00 H new ATOM 98 N ASP A 7 -6.958 9.300 1.525 1.00 0.00 N ATOM 99 CA ASP A 7 -6.926 8.100 0.750 1.00 0.00 C ATOM 100 C ASP A 7 -6.114 8.234 -0.492 1.00 0.00 C ATOM 101 O ASP A 7 -5.770 9.326 -0.942 1.00 0.00 O ATOM 102 CB ASP A 7 -8.357 7.682 0.370 1.00 0.00 C ATOM 103 CG ASP A 7 -9.060 7.180 1.622 1.00 0.00 C ATOM 104 OD1 ASP A 7 -8.701 6.063 2.081 1.00 0.00 O ATOM 105 OD2 ASP A 7 -9.950 7.892 2.160 1.00 0.00 O ATOM 0 H ASP A 7 -7.788 9.866 1.350 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.455 7.339 1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.898 8.527 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.335 6.902 -0.391 1.00 0.00 H new ATOM 110 N CYS A 8 -5.770 7.089 -1.107 1.00 0.00 N ATOM 111 CA CYS A 8 -4.909 7.010 -2.245 1.00 0.00 C ATOM 112 C CYS A 8 -5.551 7.501 -3.498 1.00 0.00 C ATOM 113 O CYS A 8 -6.774 7.634 -3.515 1.00 0.00 O ATOM 114 CB CYS A 8 -4.380 5.578 -2.430 1.00 0.00 C ATOM 115 SG CYS A 8 -3.683 4.942 -0.877 1.00 0.00 S ATOM 0 H CYS A 8 -6.107 6.178 -0.797 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.070 7.676 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.188 4.927 -2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.617 5.565 -3.208 1.00 0.00 H new ATOM 120 N PRO A 9 -4.863 7.822 -4.553 1.00 0.00 N ATOM 121 CA PRO A 9 -5.472 8.427 -5.702 1.00 0.00 C ATOM 122 C PRO A 9 -6.438 7.583 -6.460 1.00 0.00 C ATOM 123 O PRO A 9 -6.322 6.359 -6.494 1.00 0.00 O ATOM 124 CB PRO A 9 -4.302 8.795 -6.611 1.00 0.00 C ATOM 125 CG PRO A 9 -3.165 9.090 -5.621 1.00 0.00 C ATOM 126 CD PRO A 9 -3.420 8.013 -4.554 1.00 0.00 C ATOM 0 HA PRO A 9 -6.081 9.265 -5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.045 7.979 -7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.531 9.662 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.182 8.991 -6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.225 10.099 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.899 7.087 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.063 8.334 -3.575 1.00 0.00 H new ATOM 134 N LEU A 10 -7.403 8.229 -7.138 1.00 0.00 N ATOM 135 CA LEU A 10 -8.368 7.611 -7.994 1.00 0.00 C ATOM 136 C LEU A 10 -7.790 7.078 -9.259 1.00 0.00 C ATOM 137 O LEU A 10 -8.366 6.211 -9.915 1.00 0.00 O ATOM 138 CB LEU A 10 -9.493 8.621 -8.283 1.00 0.00 C ATOM 139 CG LEU A 10 -10.702 8.118 -9.090 1.00 0.00 C ATOM 140 CD1 LEU A 10 -11.400 6.913 -8.437 1.00 0.00 C ATOM 141 CD2 LEU A 10 -11.711 9.260 -9.293 1.00 0.00 C ATOM 0 H LEU A 10 -7.516 9.241 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.764 6.740 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.859 9.001 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.059 9.466 -8.817 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.320 7.780 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.245 6.604 -9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.694 6.087 -8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.757 7.192 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.564 8.895 -9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.053 9.620 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.233 10.076 -9.835 1.00 0.00 H new ATOM 153 N SER A 11 -6.605 7.567 -9.665 1.00 0.00 N ATOM 154 CA SER A 11 -5.878 7.114 -10.810 1.00 0.00 C ATOM 155 C SER A 11 -5.410 5.705 -10.689 1.00 0.00 C ATOM 156 O SER A 11 -5.436 5.119 -9.608 1.00 0.00 O ATOM 157 CB SER A 11 -4.675 8.029 -11.093 1.00 0.00 C ATOM 158 OG SER A 11 -4.241 7.947 -12.443 1.00 0.00 O ATOM 0 H SER A 11 -6.129 8.319 -9.167 1.00 0.00 H new ATOM 0 HA SER A 11 -6.580 7.155 -11.643 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.943 9.060 -10.862 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.852 7.758 -10.432 1.00 0.00 H new ATOM 0 HG SER A 11 -3.477 8.545 -12.578 1.00 0.00 H new ATOM 164 N HIS A 12 -4.957 5.064 -11.781 1.00 0.00 N ATOM 165 CA HIS A 12 -4.595 3.681 -11.745 1.00 0.00 C ATOM 166 C HIS A 12 -3.354 3.412 -10.964 1.00 0.00 C ATOM 167 O HIS A 12 -2.331 4.078 -11.119 1.00 0.00 O ATOM 168 CB HIS A 12 -4.385 3.064 -13.138 1.00 0.00 C ATOM 169 CG HIS A 12 -5.624 2.874 -13.961 1.00 0.00 C ATOM 170 ND1 HIS A 12 -5.937 1.671 -14.536 1.00 0.00 N ATOM 171 CD2 HIS A 12 -6.507 3.780 -14.463 1.00 0.00 C ATOM 172 CE1 HIS A 12 -6.957 1.831 -15.357 1.00 0.00 C ATOM 173 NE2 HIS A 12 -7.315 3.102 -15.337 1.00 0.00 N ATOM 0 H HIS A 12 -4.841 5.506 -12.693 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.453 3.219 -11.257 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.695 3.698 -13.695 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.900 2.095 -13.016 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.560 4.831 -14.219 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.421 1.054 -15.946 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.071 3.513 -15.884 1.00 0.00 H new ATOM 182 N ASP A 13 -3.407 2.392 -10.090 1.00 0.00 N ATOM 183 CA ASP A 13 -2.313 1.965 -9.273 1.00 0.00 C ATOM 184 C ASP A 13 -1.355 1.112 -10.030 1.00 0.00 C ATOM 185 O ASP A 13 -1.650 0.562 -11.089 1.00 0.00 O ATOM 186 CB ASP A 13 -2.835 1.225 -8.030 1.00 0.00 C ATOM 187 CG ASP A 13 -3.645 2.163 -7.146 1.00 0.00 C ATOM 188 OD1 ASP A 13 -3.034 3.076 -6.531 1.00 0.00 O ATOM 189 OD2 ASP A 13 -4.883 1.971 -7.011 1.00 0.00 O ATOM 0 H ASP A 13 -4.252 1.839 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.770 2.855 -8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.453 0.381 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.997 0.818 -7.465 1.00 0.00 H new ATOM 194 N GLY A 14 -0.119 0.986 -9.512 1.00 0.00 N ATOM 195 CA GLY A 14 0.931 0.292 -10.190 1.00 0.00 C ATOM 196 C GLY A 14 2.125 0.134 -9.312 1.00 0.00 C ATOM 197 O GLY A 14 2.772 -0.912 -9.295 1.00 0.00 O ATOM 0 H GLY A 14 0.155 1.372 -8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.577 -0.689 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.209 0.838 -11.092 1.00 0.00 H new ATOM 201 N TYR A 15 2.429 1.191 -8.538 1.00 0.00 N ATOM 202 CA TYR A 15 3.431 1.261 -7.521 1.00 0.00 C ATOM 203 C TYR A 15 3.231 0.293 -6.407 1.00 0.00 C ATOM 204 O TYR A 15 4.150 -0.418 -6.001 1.00 0.00 O ATOM 205 CB TYR A 15 3.598 2.705 -7.019 1.00 0.00 C ATOM 206 CG TYR A 15 2.324 3.322 -6.553 1.00 0.00 C ATOM 207 CD1 TYR A 15 1.421 3.841 -7.451 1.00 0.00 C ATOM 208 CD2 TYR A 15 2.024 3.339 -5.212 1.00 0.00 C ATOM 209 CE1 TYR A 15 0.197 4.298 -7.024 1.00 0.00 C ATOM 210 CE2 TYR A 15 0.811 3.817 -4.774 1.00 0.00 C ATOM 211 CZ TYR A 15 -0.108 4.283 -5.684 1.00 0.00 C ATOM 212 OH TYR A 15 -1.376 4.715 -5.238 1.00 0.00 O ATOM 0 H TYR A 15 1.928 2.074 -8.634 1.00 0.00 H new ATOM 0 HA TYR A 15 4.366 0.952 -7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.319 2.716 -6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.016 3.314 -7.820 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.675 3.890 -8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.746 2.974 -4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.523 4.668 -7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.581 3.826 -3.719 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.067 4.112 -5.583 1.00 0.00 H new ATOM 222 N CYS A 16 2.001 0.216 -5.870 1.00 0.00 N ATOM 223 CA CYS A 16 1.611 -0.697 -4.840 1.00 0.00 C ATOM 224 C CYS A 16 0.210 -1.112 -5.137 1.00 0.00 C ATOM 225 O CYS A 16 -0.628 -0.259 -5.422 1.00 0.00 O ATOM 226 CB CYS A 16 1.687 -0.007 -3.467 1.00 0.00 C ATOM 227 SG CYS A 16 1.784 -1.145 -2.055 1.00 0.00 S ATOM 0 H CYS A 16 1.238 0.823 -6.170 1.00 0.00 H new ATOM 0 HA CYS A 16 2.273 -1.563 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.559 0.647 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.810 0.629 -3.345 1.00 0.00 H new ATOM 232 N LEU A 17 -0.091 -2.423 -5.142 1.00 0.00 N ATOM 233 CA LEU A 17 -1.340 -2.934 -5.613 1.00 0.00 C ATOM 234 C LEU A 17 -2.187 -3.504 -4.528 1.00 0.00 C ATOM 235 O LEU A 17 -1.745 -3.760 -3.409 1.00 0.00 O ATOM 236 CB LEU A 17 -1.156 -4.041 -6.665 1.00 0.00 C ATOM 237 CG LEU A 17 -0.598 -3.635 -8.040 1.00 0.00 C ATOM 238 CD1 LEU A 17 -1.332 -2.435 -8.663 1.00 0.00 C ATOM 239 CD2 LEU A 17 0.925 -3.420 -8.038 1.00 0.00 C ATOM 0 H LEU A 17 0.549 -3.145 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.835 -2.066 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.493 -4.797 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.123 -4.518 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.795 -4.494 -8.682 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.889 -2.200 -9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.385 -2.682 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.242 -1.571 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.254 -3.136 -9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.180 -2.628 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.422 -4.343 -7.741 1.00 0.00 H new ATOM 251 N HIS A 18 -3.461 -3.767 -4.870 1.00 0.00 N ATOM 252 CA HIS A 18 -4.397 -4.625 -4.212 1.00 0.00 C ATOM 253 C HIS A 18 -4.573 -4.486 -2.739 1.00 0.00 C ATOM 254 O HIS A 18 -4.402 -5.455 -2.002 1.00 0.00 O ATOM 255 CB HIS A 18 -4.114 -6.091 -4.579 1.00 0.00 C ATOM 256 CG HIS A 18 -5.149 -7.088 -4.149 1.00 0.00 C ATOM 257 ND1 HIS A 18 -6.453 -7.030 -4.564 1.00 0.00 N ATOM 258 CD2 HIS A 18 -5.067 -8.127 -3.275 1.00 0.00 C ATOM 259 CE1 HIS A 18 -7.139 -7.991 -3.976 1.00 0.00 C ATOM 260 NE2 HIS A 18 -6.323 -8.669 -3.190 1.00 0.00 N ATOM 0 H HIS A 18 -3.876 -3.332 -5.694 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.356 -4.279 -4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.001 -6.159 -5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.158 -6.377 -4.140 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.184 -8.460 -2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.191 -8.190 -4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.585 -9.468 -2.612 1.00 0.00 H new ATOM 269 N ASP A 19 -4.948 -3.287 -2.258 1.00 0.00 N ATOM 270 CA ASP A 19 -5.266 -3.007 -0.892 1.00 0.00 C ATOM 271 C ASP A 19 -4.054 -3.003 -0.025 1.00 0.00 C ATOM 272 O ASP A 19 -4.043 -3.462 1.116 1.00 0.00 O ATOM 273 CB ASP A 19 -6.434 -3.876 -0.395 1.00 0.00 C ATOM 274 CG ASP A 19 -7.184 -3.276 0.785 1.00 0.00 C ATOM 275 OD1 ASP A 19 -7.757 -2.163 0.644 1.00 0.00 O ATOM 276 OD2 ASP A 19 -7.248 -3.933 1.860 1.00 0.00 O ATOM 0 H ASP A 19 -5.034 -2.466 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.639 -1.985 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.133 -4.034 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.051 -4.856 -0.110 1.00 0.00 H new ATOM 281 N GLY A 20 -2.956 -2.432 -0.553 1.00 0.00 N ATOM 282 CA GLY A 20 -1.777 -2.103 0.184 1.00 0.00 C ATOM 283 C GLY A 20 -1.929 -0.734 0.755 1.00 0.00 C ATOM 284 O GLY A 20 -2.625 0.108 0.189 1.00 0.00 O ATOM 0 H GLY A 20 -2.888 -2.189 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.617 -2.828 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.903 -2.145 -0.466 1.00 0.00 H new ATOM 288 N VAL A 21 -1.307 -0.451 1.913 1.00 0.00 N ATOM 289 CA VAL A 21 -1.527 0.752 2.654 1.00 0.00 C ATOM 290 C VAL A 21 -0.672 1.850 2.123 1.00 0.00 C ATOM 291 O VAL A 21 0.467 2.057 2.540 1.00 0.00 O ATOM 292 CB VAL A 21 -1.305 0.535 4.122 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.661 1.794 4.929 1.00 0.00 C ATOM 294 CG2 VAL A 21 -2.168 -0.643 4.607 1.00 0.00 C ATOM 0 H VAL A 21 -0.630 -1.078 2.347 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.569 1.048 2.531 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.249 0.313 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.490 1.607 5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.036 2.625 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.710 2.044 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.005 -0.799 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.220 -0.421 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.891 -1.546 4.062 1.00 0.00 H new ATOM 304 N CYS A 22 -1.190 2.590 1.125 1.00 0.00 N ATOM 305 CA CYS A 22 -0.497 3.612 0.404 1.00 0.00 C ATOM 306 C CYS A 22 -0.650 4.957 1.028 1.00 0.00 C ATOM 307 O CYS A 22 -1.719 5.348 1.493 1.00 0.00 O ATOM 308 CB CYS A 22 -0.920 3.622 -1.075 1.00 0.00 C ATOM 309 SG CYS A 22 -2.673 3.258 -1.382 1.00 0.00 S ATOM 0 H CYS A 22 -2.150 2.466 0.803 1.00 0.00 H new ATOM 0 HA CYS A 22 0.565 3.373 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.690 4.601 -1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.315 2.893 -1.614 1.00 0.00 H new ATOM 314 N MET A 23 0.445 5.737 1.078 1.00 0.00 N ATOM 315 CA MET A 23 0.408 7.074 1.587 1.00 0.00 C ATOM 316 C MET A 23 1.357 7.974 0.873 1.00 0.00 C ATOM 317 O MET A 23 2.556 8.017 1.146 1.00 0.00 O ATOM 318 CB MET A 23 0.604 7.137 3.110 1.00 0.00 C ATOM 319 CG MET A 23 1.789 6.347 3.669 1.00 0.00 C ATOM 320 SD MET A 23 1.939 6.393 5.480 1.00 0.00 S ATOM 321 CE MET A 23 2.458 8.127 5.632 1.00 0.00 C ATOM 0 H MET A 23 1.367 5.437 0.762 1.00 0.00 H new ATOM 0 HA MET A 23 -0.598 7.442 1.388 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.722 8.182 3.398 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.306 6.775 3.588 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.699 5.308 3.351 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.708 6.736 3.231 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.878 8.295 6.624 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.211 8.349 4.876 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.596 8.779 5.487 1.00 0.00 H new ATOM 331 N TYR A 24 0.837 8.763 -0.085 1.00 0.00 N ATOM 332 CA TYR A 24 1.499 9.893 -0.662 1.00 0.00 C ATOM 333 C TYR A 24 0.941 11.113 -0.014 1.00 0.00 C ATOM 334 O TYR A 24 -0.275 11.298 0.027 1.00 0.00 O ATOM 335 CB TYR A 24 1.296 9.979 -2.183 1.00 0.00 C ATOM 336 CG TYR A 24 1.798 11.240 -2.798 1.00 0.00 C ATOM 337 CD1 TYR A 24 3.094 11.670 -2.639 1.00 0.00 C ATOM 338 CD2 TYR A 24 0.897 12.042 -3.459 1.00 0.00 C ATOM 339 CE1 TYR A 24 3.484 12.901 -3.113 1.00 0.00 C ATOM 340 CE2 TYR A 24 1.283 13.275 -3.928 1.00 0.00 C ATOM 341 CZ TYR A 24 2.573 13.713 -3.748 1.00 0.00 C ATOM 342 OH TYR A 24 2.951 14.994 -4.203 1.00 0.00 O ATOM 0 H TYR A 24 -0.091 8.605 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 24 2.572 9.799 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.799 9.134 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.233 9.880 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.811 11.037 -2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.117 11.702 -3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.505 13.230 -2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.569 13.903 -4.440 1.00 0.00 H new ATOM 0 HH TYR A 24 2.183 15.430 -4.629 1.00 0.00 H new ATOM 352 N ILE A 25 1.801 12.012 0.498 1.00 0.00 N ATOM 353 CA ILE A 25 1.378 13.277 1.014 1.00 0.00 C ATOM 354 C ILE A 25 2.216 14.369 0.443 1.00 0.00 C ATOM 355 O ILE A 25 3.446 14.331 0.439 1.00 0.00 O ATOM 356 CB ILE A 25 1.268 13.307 2.510 1.00 0.00 C ATOM 357 CG1 ILE A 25 2.225 12.363 3.256 1.00 0.00 C ATOM 358 CG2 ILE A 25 -0.181 12.953 2.885 1.00 0.00 C ATOM 359 CD1 ILE A 25 3.699 12.728 3.087 1.00 0.00 C ATOM 0 H ILE A 25 2.808 11.858 0.555 1.00 0.00 H new ATOM 0 HA ILE A 25 0.354 13.449 0.684 1.00 0.00 H new ATOM 0 HB ILE A 25 1.554 14.312 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.977 12.372 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.068 11.345 2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.290 12.967 3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.860 13.682 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.421 11.958 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.315 12.019 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.964 12.691 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.871 13.734 3.469 1.00 0.00 H new ATOM 371 N GLU A 26 1.557 15.418 -0.081 1.00 0.00 N ATOM 372 CA GLU A 26 2.157 16.521 -0.765 1.00 0.00 C ATOM 373 C GLU A 26 3.052 17.344 0.097 1.00 0.00 C ATOM 374 O GLU A 26 4.096 17.815 -0.350 1.00 0.00 O ATOM 375 CB GLU A 26 1.057 17.390 -1.398 1.00 0.00 C ATOM 376 CG GLU A 26 1.496 18.656 -2.135 1.00 0.00 C ATOM 377 CD GLU A 26 1.648 19.897 -1.266 1.00 0.00 C ATOM 378 OE1 GLU A 26 0.927 20.027 -0.241 1.00 0.00 O ATOM 379 OE2 GLU A 26 2.435 20.809 -1.636 1.00 0.00 O ATOM 0 H GLU A 26 0.542 15.500 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 26 2.800 16.105 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.499 16.769 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.364 17.683 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.449 18.458 -2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.770 18.869 -2.920 1.00 0.00 H new ATOM 386 N ALA A 27 2.719 17.503 1.390 1.00 0.00 N ATOM 387 CA ALA A 27 3.481 18.261 2.333 1.00 0.00 C ATOM 388 C ALA A 27 4.911 17.864 2.462 1.00 0.00 C ATOM 389 O ALA A 27 5.822 18.686 2.363 1.00 0.00 O ATOM 390 CB ALA A 27 2.805 18.148 3.709 1.00 0.00 C ATOM 0 H ALA A 27 1.882 17.085 1.796 1.00 0.00 H new ATOM 0 HA ALA A 27 3.496 19.283 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.373 18.721 4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.790 18.541 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.772 17.102 4.013 1.00 0.00 H new ATOM 396 N LEU A 28 5.174 16.558 2.641 1.00 0.00 N ATOM 397 CA LEU A 28 6.505 16.062 2.799 1.00 0.00 C ATOM 398 C LEU A 28 7.111 15.725 1.480 1.00 0.00 C ATOM 399 O LEU A 28 8.335 15.759 1.360 1.00 0.00 O ATOM 400 CB LEU A 28 6.578 14.825 3.709 1.00 0.00 C ATOM 401 CG LEU A 28 5.921 15.006 5.089 1.00 0.00 C ATOM 402 CD1 LEU A 28 6.116 13.739 5.939 1.00 0.00 C ATOM 403 CD2 LEU A 28 6.458 16.236 5.839 1.00 0.00 C ATOM 0 H LEU A 28 4.454 15.837 2.677 1.00 0.00 H new ATOM 0 HA LEU A 28 7.066 16.866 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.100 13.987 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.625 14.556 3.852 1.00 0.00 H new ATOM 0 HG LEU A 28 4.857 15.172 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.647 13.879 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.658 12.888 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.181 13.551 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.962 16.318 6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.532 16.130 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.261 17.134 5.253 1.00 0.00 H new ATOM 415 N ASP A 29 6.268 15.449 0.468 1.00 0.00 N ATOM 416 CA ASP A 29 6.573 15.274 -0.918 1.00 0.00 C ATOM 417 C ASP A 29 7.013 13.895 -1.270 1.00 0.00 C ATOM 418 O ASP A 29 7.451 13.604 -2.383 1.00 0.00 O ATOM 419 CB ASP A 29 7.493 16.412 -1.392 1.00 0.00 C ATOM 420 CG ASP A 29 7.545 16.654 -2.893 1.00 0.00 C ATOM 421 OD1 ASP A 29 6.466 16.777 -3.532 1.00 0.00 O ATOM 422 OD2 ASP A 29 8.677 16.865 -3.406 1.00 0.00 O ATOM 0 H ASP A 29 5.269 15.338 0.643 1.00 0.00 H new ATOM 0 HA ASP A 29 5.651 15.360 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.174 17.335 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.504 16.202 -1.044 1.00 0.00 H new ATOM 427 N LYS A 30 6.870 12.949 -0.323 1.00 0.00 N ATOM 428 CA LYS A 30 7.251 11.575 -0.429 1.00 0.00 C ATOM 429 C LYS A 30 6.100 10.650 -0.224 1.00 0.00 C ATOM 430 O LYS A 30 5.072 10.990 0.359 1.00 0.00 O ATOM 431 CB LYS A 30 8.323 11.216 0.613 1.00 0.00 C ATOM 432 CG LYS A 30 9.642 11.978 0.465 1.00 0.00 C ATOM 433 CD LYS A 30 10.183 11.886 -0.963 1.00 0.00 C ATOM 434 CE LYS A 30 11.683 12.136 -1.130 1.00 0.00 C ATOM 435 NZ LYS A 30 12.060 13.501 -0.701 1.00 0.00 N ATOM 0 H LYS A 30 6.457 13.163 0.584 1.00 0.00 H new ATOM 0 HA LYS A 30 7.639 11.453 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.920 11.405 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.528 10.147 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.491 13.024 0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.377 11.574 1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.955 10.894 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.644 12.604 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.241 11.404 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.962 11.992 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.083 13.635 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.546 14.200 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.816 13.629 0.302 1.00 0.00 H new ATOM 449 N TYR A 31 6.266 9.404 -0.700 1.00 0.00 N ATOM 450 CA TYR A 31 5.320 8.345 -0.533 1.00 0.00 C ATOM 451 C TYR A 31 5.887 7.109 0.075 1.00 0.00 C ATOM 452 O TYR A 31 7.096 6.881 0.100 1.00 0.00 O ATOM 453 CB TYR A 31 4.460 8.050 -1.773 1.00 0.00 C ATOM 454 CG TYR A 31 5.097 7.634 -3.054 1.00 0.00 C ATOM 455 CD1 TYR A 31 6.446 7.610 -3.323 1.00 0.00 C ATOM 456 CD2 TYR A 31 4.213 7.310 -4.057 1.00 0.00 C ATOM 457 CE1 TYR A 31 6.904 7.242 -4.566 1.00 0.00 C ATOM 458 CE2 TYR A 31 4.659 6.966 -5.311 1.00 0.00 C ATOM 459 CZ TYR A 31 6.010 6.928 -5.564 1.00 0.00 C ATOM 460 OH TYR A 31 6.441 6.604 -6.867 1.00 0.00 O ATOM 0 H TYR A 31 7.095 9.122 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 31 4.627 8.748 0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.754 7.267 -1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.876 8.947 -1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.151 7.882 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.152 7.326 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.966 7.199 -4.759 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.953 6.727 -6.092 1.00 0.00 H new ATOM 0 HH TYR A 31 5.663 6.411 -7.430 1.00 0.00 H new ATOM 470 N ALA A 32 4.997 6.270 0.634 1.00 0.00 N ATOM 471 CA ALA A 32 5.319 4.978 1.153 1.00 0.00 C ATOM 472 C ALA A 32 4.159 4.072 0.918 1.00 0.00 C ATOM 473 O ALA A 32 3.029 4.522 0.738 1.00 0.00 O ATOM 474 CB ALA A 32 5.644 5.050 2.655 1.00 0.00 C ATOM 0 H ALA A 32 4.009 6.503 0.728 1.00 0.00 H new ATOM 0 HA ALA A 32 6.204 4.595 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.885 4.053 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.497 5.711 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.781 5.437 3.196 1.00 0.00 H new ATOM 480 N CYS A 33 4.400 2.750 0.859 1.00 0.00 N ATOM 481 CA CYS A 33 3.371 1.759 0.915 1.00 0.00 C ATOM 482 C CYS A 33 3.725 0.791 1.991 1.00 0.00 C ATOM 483 O CYS A 33 4.844 0.281 2.022 1.00 0.00 O ATOM 484 CB CYS A 33 3.165 1.004 -0.409 1.00 0.00 C ATOM 485 SG CYS A 33 1.586 0.108 -0.472 1.00 0.00 S ATOM 0 H CYS A 33 5.338 2.359 0.770 1.00 0.00 H new ATOM 0 HA CYS A 33 2.430 2.270 1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.208 1.712 -1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.984 0.298 -0.550 1.00 0.00 H new ATOM 490 N ASN A 34 2.800 0.480 2.916 1.00 0.00 N ATOM 491 CA ASN A 34 3.009 -0.545 3.891 1.00 0.00 C ATOM 492 C ASN A 34 2.117 -1.705 3.612 1.00 0.00 C ATOM 493 O ASN A 34 0.954 -1.564 3.236 1.00 0.00 O ATOM 494 CB ASN A 34 2.801 -0.044 5.330 1.00 0.00 C ATOM 495 CG ASN A 34 3.798 1.041 5.708 1.00 0.00 C ATOM 496 OD1 ASN A 34 3.457 2.035 6.345 1.00 0.00 O ATOM 497 ND2 ASN A 34 5.094 0.862 5.334 1.00 0.00 N ATOM 0 H ASN A 34 1.895 0.946 2.989 1.00 0.00 H new ATOM 0 HA ASN A 34 4.050 -0.857 3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.787 0.343 5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.897 -0.881 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.797 1.558 5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.362 0.032 4.806 1.00 0.00 H new ATOM 504 N CYS A 35 2.643 -2.932 3.776 1.00 0.00 N ATOM 505 CA CYS A 35 1.888 -4.137 3.619 1.00 0.00 C ATOM 506 C CYS A 35 1.872 -4.921 4.885 1.00 0.00 C ATOM 507 O CYS A 35 2.604 -4.658 5.838 1.00 0.00 O ATOM 508 CB CYS A 35 2.419 -4.988 2.453 1.00 0.00 C ATOM 509 SG CYS A 35 1.719 -4.427 0.873 1.00 0.00 S ATOM 0 H CYS A 35 3.619 -3.091 4.024 1.00 0.00 H new ATOM 0 HA CYS A 35 0.863 -3.855 3.379 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.507 -4.925 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.166 -6.035 2.617 1.00 0.00 H new ATOM 514 N VAL A 36 0.974 -5.922 4.922 1.00 0.00 N ATOM 515 CA VAL A 36 0.746 -6.847 5.988 1.00 0.00 C ATOM 516 C VAL A 36 1.724 -7.971 5.959 1.00 0.00 C ATOM 517 O VAL A 36 2.511 -8.119 5.026 1.00 0.00 O ATOM 518 CB VAL A 36 -0.653 -7.382 5.918 1.00 0.00 C ATOM 519 CG1 VAL A 36 -1.591 -6.398 6.637 1.00 0.00 C ATOM 520 CG2 VAL A 36 -1.100 -7.571 4.459 1.00 0.00 C ATOM 0 H VAL A 36 0.352 -6.098 4.133 1.00 0.00 H new ATOM 0 HA VAL A 36 0.882 -6.310 6.927 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.689 -8.357 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.614 -6.773 6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.284 -6.297 7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.541 -5.425 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.118 -7.960 4.438 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.067 -6.612 3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.432 -8.275 3.962 1.00 0.00 H new ATOM 530 N VAL A 37 1.720 -8.820 7.002 1.00 0.00 N ATOM 531 CA VAL A 37 2.601 -9.941 7.113 1.00 0.00 C ATOM 532 C VAL A 37 2.335 -10.996 6.094 1.00 0.00 C ATOM 533 O VAL A 37 1.254 -11.572 5.999 1.00 0.00 O ATOM 534 CB VAL A 37 2.669 -10.501 8.503 1.00 0.00 C ATOM 535 CG1 VAL A 37 3.438 -11.831 8.581 1.00 0.00 C ATOM 536 CG2 VAL A 37 3.390 -9.478 9.394 1.00 0.00 C ATOM 0 H VAL A 37 1.084 -8.723 7.793 1.00 0.00 H new ATOM 0 HA VAL A 37 3.594 -9.547 6.894 1.00 0.00 H new ATOM 0 HB VAL A 37 1.647 -10.694 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.451 -12.184 9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.947 -12.572 7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.461 -11.681 8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.452 -9.862 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.395 -9.305 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.835 -8.540 9.394 1.00 0.00 H new ATOM 546 N GLY A 38 3.353 -11.274 5.260 1.00 0.00 N ATOM 547 CA GLY A 38 3.331 -12.280 4.243 1.00 0.00 C ATOM 548 C GLY A 38 2.634 -11.895 2.983 1.00 0.00 C ATOM 549 O GLY A 38 2.034 -12.747 2.332 1.00 0.00 O ATOM 0 H GLY A 38 4.239 -10.770 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.358 -12.553 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.851 -13.171 4.647 1.00 0.00 H new ATOM 553 N TYR A 39 2.701 -10.609 2.593 1.00 0.00 N ATOM 554 CA TYR A 39 2.348 -10.163 1.281 1.00 0.00 C ATOM 555 C TYR A 39 3.562 -9.525 0.700 1.00 0.00 C ATOM 556 O TYR A 39 4.075 -8.525 1.201 1.00 0.00 O ATOM 557 CB TYR A 39 1.127 -9.227 1.271 1.00 0.00 C ATOM 558 CG TYR A 39 -0.123 -10.035 1.193 1.00 0.00 C ATOM 559 CD1 TYR A 39 -0.593 -10.423 -0.039 1.00 0.00 C ATOM 560 CD2 TYR A 39 -0.804 -10.433 2.320 1.00 0.00 C ATOM 561 CE1 TYR A 39 -1.722 -11.198 -0.154 1.00 0.00 C ATOM 562 CE2 TYR A 39 -1.938 -11.202 2.215 1.00 0.00 C ATOM 563 CZ TYR A 39 -2.392 -11.597 0.979 1.00 0.00 C ATOM 564 OH TYR A 39 -3.542 -12.407 0.865 1.00 0.00 O ATOM 0 H TYR A 39 3.010 -9.857 3.209 1.00 0.00 H new ATOM 0 HA TYR A 39 2.034 -11.011 0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.119 -8.613 2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.185 -8.546 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.067 -10.114 -0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.445 -10.139 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.081 -11.492 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.474 -11.497 3.105 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.586 -13.021 1.627 1.00 0.00 H new ATOM 574 N ILE A 40 4.115 -10.144 -0.359 1.00 0.00 N ATOM 575 CA ILE A 40 5.467 -9.984 -0.796 1.00 0.00 C ATOM 576 C ILE A 40 5.565 -9.422 -2.173 1.00 0.00 C ATOM 577 O ILE A 40 4.606 -9.353 -2.940 1.00 0.00 O ATOM 578 CB ILE A 40 6.225 -11.277 -0.740 1.00 0.00 C ATOM 579 CG1 ILE A 40 5.515 -12.399 -1.517 1.00 0.00 C ATOM 580 CG2 ILE A 40 6.450 -11.666 0.730 1.00 0.00 C ATOM 581 CD1 ILE A 40 6.408 -13.616 -1.751 1.00 0.00 C ATOM 0 H ILE A 40 3.587 -10.793 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 40 5.914 -9.272 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 40 7.190 -11.136 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.625 -12.708 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.178 -12.011 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.001 -12.605 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.022 -10.884 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.487 -11.784 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.853 -14.374 -2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.285 -13.318 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.724 -14.025 -0.791 1.00 0.00 H new ATOM 593 N GLY A 41 6.781 -8.990 -2.547 1.00 0.00 N ATOM 594 CA GLY A 41 7.086 -8.406 -3.817 1.00 0.00 C ATOM 595 C GLY A 41 7.313 -6.939 -3.692 1.00 0.00 C ATOM 596 O GLY A 41 6.897 -6.292 -2.733 1.00 0.00 O ATOM 0 H GLY A 41 7.593 -9.051 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.974 -8.880 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.268 -8.593 -4.512 1.00 0.00 H new ATOM 600 N GLU A 42 7.959 -6.341 -4.709 1.00 0.00 N ATOM 601 CA GLU A 42 8.301 -4.954 -4.777 1.00 0.00 C ATOM 602 C GLU A 42 7.098 -4.075 -4.786 1.00 0.00 C ATOM 603 O GLU A 42 6.963 -3.093 -4.059 1.00 0.00 O ATOM 604 CB GLU A 42 9.111 -4.747 -6.069 1.00 0.00 C ATOM 605 CG GLU A 42 9.668 -3.339 -6.292 1.00 0.00 C ATOM 606 CD GLU A 42 10.720 -2.943 -5.264 1.00 0.00 C ATOM 607 OE1 GLU A 42 11.634 -3.766 -4.990 1.00 0.00 O ATOM 608 OE2 GLU A 42 10.666 -1.794 -4.751 1.00 0.00 O ATOM 0 H GLU A 42 8.261 -6.859 -5.534 1.00 0.00 H new ATOM 0 HA GLU A 42 8.877 -4.682 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.944 -5.450 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.477 -5.004 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.103 -3.281 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.848 -2.621 -6.259 1.00 0.00 H new ATOM 615 N ARG A 43 6.119 -4.465 -5.622 1.00 0.00 N ATOM 616 CA ARG A 43 4.843 -3.839 -5.783 1.00 0.00 C ATOM 617 C ARG A 43 3.800 -4.404 -4.880 1.00 0.00 C ATOM 618 O ARG A 43 2.626 -4.054 -4.984 1.00 0.00 O ATOM 619 CB ARG A 43 4.447 -3.973 -7.262 1.00 0.00 C ATOM 620 CG ARG A 43 4.294 -5.408 -7.768 1.00 0.00 C ATOM 621 CD ARG A 43 4.537 -5.547 -9.272 1.00 0.00 C ATOM 622 NE ARG A 43 4.715 -6.997 -9.566 1.00 0.00 N ATOM 623 CZ ARG A 43 4.922 -7.495 -10.819 1.00 0.00 C ATOM 624 NH1 ARG A 43 4.978 -6.686 -11.917 1.00 0.00 N ATOM 625 NH2 ARG A 43 5.100 -8.837 -11.003 1.00 0.00 N ATOM 0 H ARG A 43 6.228 -5.277 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 43 4.919 -2.789 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.505 -3.447 -7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.198 -3.469 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.993 -6.051 -7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.290 -5.763 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.696 -5.142 -9.835 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.421 -4.984 -9.571 1.00 0.00 H new ATOM 0 HE ARG A 43 4.680 -7.654 -8.787 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.864 -5.678 -11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.134 -7.090 -12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.078 -9.469 -10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.255 -9.207 -11.941 1.00 0.00 H new ATOM 639 N CYS A 44 4.201 -5.284 -3.945 1.00 0.00 N ATOM 640 CA CYS A 44 3.386 -5.953 -2.980 1.00 0.00 C ATOM 641 C CYS A 44 2.232 -6.704 -3.551 1.00 0.00 C ATOM 642 O CYS A 44 1.077 -6.300 -3.432 1.00 0.00 O ATOM 643 CB CYS A 44 2.980 -5.034 -1.816 1.00 0.00 C ATOM 644 SG CYS A 44 2.230 -5.910 -0.413 1.00 0.00 S ATOM 0 H CYS A 44 5.182 -5.549 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 44 4.031 -6.727 -2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.861 -4.496 -1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.276 -4.288 -2.184 1.00 0.00 H new ATOM 649 N GLN A 45 2.500 -7.823 -4.248 1.00 0.00 N ATOM 650 CA GLN A 45 1.495 -8.537 -4.973 1.00 0.00 C ATOM 651 C GLN A 45 1.157 -9.886 -4.436 1.00 0.00 C ATOM 652 O GLN A 45 -0.020 -10.205 -4.276 1.00 0.00 O ATOM 653 CB GLN A 45 1.892 -8.644 -6.455 1.00 0.00 C ATOM 654 CG GLN A 45 0.663 -8.754 -7.360 1.00 0.00 C ATOM 655 CD GLN A 45 1.012 -9.054 -8.810 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.786 -10.157 -9.305 1.00 0.00 O ATOM 657 NE2 GLN A 45 1.555 -8.038 -9.535 1.00 0.00 N ATOM 0 H GLN A 45 3.429 -8.239 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 45 0.586 -7.948 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.477 -7.770 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.530 -9.516 -6.599 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.009 -9.539 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.101 -7.821 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.730 -7.135 -9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.787 -8.180 -10.518 1.00 0.00 H new ATOM 666 N TYR A 46 2.145 -10.756 -4.162 1.00 0.00 N ATOM 667 CA TYR A 46 1.918 -12.151 -3.938 1.00 0.00 C ATOM 668 C TYR A 46 1.778 -12.446 -2.483 1.00 0.00 C ATOM 669 O TYR A 46 2.166 -11.633 -1.645 1.00 0.00 O ATOM 670 CB TYR A 46 3.034 -13.051 -4.493 1.00 0.00 C ATOM 671 CG TYR A 46 3.708 -12.497 -5.701 1.00 0.00 C ATOM 672 CD1 TYR A 46 3.023 -12.315 -6.880 1.00 0.00 C ATOM 673 CD2 TYR A 46 5.040 -12.163 -5.644 1.00 0.00 C ATOM 674 CE1 TYR A 46 3.654 -11.783 -7.979 1.00 0.00 C ATOM 675 CE2 TYR A 46 5.686 -11.643 -6.741 1.00 0.00 C ATOM 676 CZ TYR A 46 4.985 -11.446 -7.908 1.00 0.00 C ATOM 677 OH TYR A 46 5.631 -10.861 -9.017 1.00 0.00 O ATOM 0 H TYR A 46 3.126 -10.484 -4.094 1.00 0.00 H new ATOM 0 HA TYR A 46 0.995 -12.375 -4.473 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.779 -13.212 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.613 -14.026 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.981 -12.592 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.587 -12.311 -4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.105 -11.630 -8.897 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.735 -11.391 -6.687 1.00 0.00 H new ATOM 0 HH TYR A 46 6.569 -10.686 -8.794 1.00 0.00 H new ATOM 687 N ARG A 47 1.268 -13.629 -2.097 1.00 0.00 N ATOM 688 CA ARG A 47 1.217 -14.032 -0.725 1.00 0.00 C ATOM 689 C ARG A 47 2.232 -15.072 -0.397 1.00 0.00 C ATOM 690 O ARG A 47 2.640 -15.880 -1.230 1.00 0.00 O ATOM 691 CB ARG A 47 -0.176 -14.501 -0.276 1.00 0.00 C ATOM 692 CG ARG A 47 -0.752 -15.701 -1.030 1.00 0.00 C ATOM 693 CD ARG A 47 -1.951 -16.366 -0.351 1.00 0.00 C ATOM 694 NE ARG A 47 -3.101 -15.419 -0.365 1.00 0.00 N ATOM 695 CZ ARG A 47 -4.397 -15.818 -0.524 1.00 0.00 C ATOM 696 NH1 ARG A 47 -4.736 -17.109 -0.808 1.00 0.00 N ATOM 697 NH2 ARG A 47 -5.395 -14.896 -0.389 1.00 0.00 N ATOM 0 H ARG A 47 0.885 -14.316 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 47 1.454 -13.127 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.130 -14.751 0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.869 -13.666 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.050 -15.378 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.035 -16.445 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.215 -17.287 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.700 -16.639 0.674 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.911 -14.424 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.009 -17.817 -0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.717 -17.366 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.167 -13.926 -0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.369 -15.178 -0.505 1.00 0.00 H new ATOM 711 N ASP A 48 2.694 -15.103 0.866 1.00 0.00 N ATOM 712 CA ASP A 48 3.511 -16.152 1.391 1.00 0.00 C ATOM 713 C ASP A 48 2.637 -17.136 2.089 1.00 0.00 C ATOM 714 O ASP A 48 2.291 -17.015 3.262 1.00 0.00 O ATOM 715 CB ASP A 48 4.637 -15.561 2.256 1.00 0.00 C ATOM 716 CG ASP A 48 5.893 -16.421 2.228 1.00 0.00 C ATOM 717 OD1 ASP A 48 6.282 -16.867 1.117 1.00 0.00 O ATOM 718 OD2 ASP A 48 6.517 -16.654 3.299 1.00 0.00 O ATOM 0 H ASP A 48 2.491 -14.371 1.546 1.00 0.00 H new ATOM 0 HA ASP A 48 4.020 -16.699 0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.877 -14.558 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.289 -15.461 3.284 1.00 0.00 H new ATOM 723 N LEU A 49 2.189 -18.170 1.354 1.00 0.00 N ATOM 724 CA LEU A 49 1.095 -19.023 1.699 1.00 0.00 C ATOM 725 C LEU A 49 1.391 -20.151 2.626 1.00 0.00 C ATOM 726 O LEU A 49 0.653 -21.131 2.712 1.00 0.00 O ATOM 727 CB LEU A 49 0.350 -19.475 0.432 1.00 0.00 C ATOM 728 CG LEU A 49 1.195 -19.991 -0.745 1.00 0.00 C ATOM 729 CD1 LEU A 49 1.955 -21.288 -0.425 1.00 0.00 C ATOM 730 CD2 LEU A 49 0.289 -20.223 -1.966 1.00 0.00 C ATOM 0 H LEU A 49 2.618 -18.425 0.464 1.00 0.00 H new ATOM 0 HA LEU A 49 0.438 -18.400 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.348 -20.263 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.246 -18.635 0.075 1.00 0.00 H new ATOM 0 HG LEU A 49 1.943 -19.226 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.531 -21.597 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.630 -21.117 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.244 -22.071 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.889 -20.589 -2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.475 -20.960 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.190 -19.285 -2.247 1.00 0.00 H new ATOM 742 N LYS A 50 2.498 -20.066 3.387 1.00 0.00 N ATOM 743 CA LYS A 50 3.000 -21.084 4.257 1.00 0.00 C ATOM 744 C LYS A 50 2.071 -21.461 5.360 1.00 0.00 C ATOM 745 O LYS A 50 1.769 -22.636 5.561 1.00 0.00 O ATOM 746 CB LYS A 50 4.372 -20.690 4.830 1.00 0.00 C ATOM 747 CG LYS A 50 5.553 -21.004 3.910 1.00 0.00 C ATOM 748 CD LYS A 50 5.624 -20.139 2.650 1.00 0.00 C ATOM 749 CE LYS A 50 6.971 -20.299 1.943 1.00 0.00 C ATOM 750 NZ LYS A 50 7.040 -19.408 0.764 1.00 0.00 N ATOM 0 H LYS A 50 3.081 -19.229 3.394 1.00 0.00 H new ATOM 0 HA LYS A 50 3.102 -21.971 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.369 -19.622 5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.518 -21.207 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.478 -20.880 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.498 -22.051 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.818 -20.416 1.970 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.472 -19.093 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.782 -20.064 2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.106 -21.335 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.033 -19.168 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.631 -19.892 -0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.504 -18.537 0.955 1.00 0.00 H new ATOM 764 N TRP A 51 1.575 -20.465 6.116 1.00 0.00 N ATOM 765 CA TRP A 51 0.656 -20.655 7.195 1.00 0.00 C ATOM 766 C TRP A 51 -0.764 -20.718 6.751 1.00 0.00 C ATOM 767 O TRP A 51 -1.611 -21.321 7.408 1.00 0.00 O ATOM 768 CB TRP A 51 0.829 -19.561 8.263 1.00 0.00 C ATOM 769 CG TRP A 51 0.731 -18.127 7.801 1.00 0.00 C ATOM 770 CD1 TRP A 51 -0.336 -17.276 7.843 1.00 0.00 C ATOM 771 CD2 TRP A 51 1.835 -17.365 7.278 1.00 0.00 C ATOM 772 NE1 TRP A 51 0.025 -16.040 7.375 1.00 0.00 N ATOM 773 CE2 TRP A 51 1.352 -16.076 7.023 1.00 0.00 C ATOM 774 CE3 TRP A 51 3.144 -17.688 7.042 1.00 0.00 C ATOM 775 CZ2 TRP A 51 2.182 -15.104 6.532 1.00 0.00 C ATOM 776 CZ3 TRP A 51 3.962 -16.706 6.534 1.00 0.00 C ATOM 777 CH2 TRP A 51 3.494 -15.436 6.292 1.00 0.00 C ATOM 0 H TRP A 51 1.825 -19.487 5.969 1.00 0.00 H new ATOM 0 HA TRP A 51 0.896 -21.625 7.629 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.076 -19.720 9.035 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.802 -19.699 8.734 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.323 -17.539 8.195 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -0.589 -15.229 7.300 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.521 -18.679 7.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.817 -14.106 6.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.995 -16.938 6.320 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.169 -14.686 5.907 1.00 0.00 H new ATOM 788 N TRP A 52 -1.075 -20.099 5.598 1.00 0.00 N ATOM 789 CA TRP A 52 -2.363 -20.085 4.977 1.00 0.00 C ATOM 790 C TRP A 52 -2.884 -21.446 4.668 1.00 0.00 C ATOM 791 O TRP A 52 -3.962 -21.830 5.118 1.00 0.00 O ATOM 792 CB TRP A 52 -2.345 -19.279 3.667 1.00 0.00 C ATOM 793 CG TRP A 52 -2.276 -17.778 3.812 1.00 0.00 C ATOM 794 CD1 TRP A 52 -1.227 -16.970 4.146 1.00 0.00 C ATOM 795 CD2 TRP A 52 -3.386 -16.903 3.540 1.00 0.00 C ATOM 796 NE1 TRP A 52 -1.607 -15.655 4.096 1.00 0.00 N ATOM 797 CE2 TRP A 52 -2.928 -15.592 3.720 1.00 0.00 C ATOM 798 CE3 TRP A 52 -4.680 -17.150 3.170 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -3.766 -14.526 3.538 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -5.517 -16.072 3.004 1.00 0.00 C ATOM 801 CH2 TRP A 52 -5.070 -14.785 3.185 1.00 0.00 C ATOM 0 H TRP A 52 -0.381 -19.574 5.066 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.022 -19.617 5.709 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.491 -19.606 3.075 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.241 -19.528 3.099 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.240 -17.318 4.411 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.009 -14.855 4.303 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -5.032 -18.159 3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.415 -13.513 3.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.547 -16.240 2.726 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -5.755 -13.962 3.048 1.00 0.00 H new ATOM 812 N GLU A 53 -2.120 -22.227 3.884 1.00 0.00 N ATOM 813 CA GLU A 53 -2.466 -23.556 3.485 1.00 0.00 C ATOM 814 C GLU A 53 -1.772 -24.547 4.355 1.00 0.00 C ATOM 815 O GLU A 53 -0.912 -25.303 3.907 1.00 0.00 O ATOM 816 CB GLU A 53 -2.094 -23.787 2.011 1.00 0.00 C ATOM 817 CG GLU A 53 -2.904 -22.953 1.015 1.00 0.00 C ATOM 818 CD GLU A 53 -4.339 -23.439 0.867 1.00 0.00 C ATOM 819 OE1 GLU A 53 -5.142 -23.360 1.834 1.00 0.00 O ATOM 820 OE2 GLU A 53 -4.703 -23.893 -0.251 1.00 0.00 O ATOM 0 H GLU A 53 -1.222 -21.919 3.512 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.543 -23.685 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.036 -23.563 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.229 -24.843 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.909 -21.912 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.414 -22.981 0.042 1.00 0.00 H new ATOM 827 N LEU A 54 -2.117 -24.563 5.655 1.00 0.00 N ATOM 828 CA LEU A 54 -1.520 -25.427 6.624 1.00 0.00 C ATOM 829 C LEU A 54 -2.603 -26.056 7.489 1.00 0.00 C ATOM 830 O LEU A 54 -2.697 -27.312 7.530 1.00 0.00 O ATOM 831 CB LEU A 54 -0.523 -24.644 7.496 1.00 0.00 C ATOM 832 CG LEU A 54 0.344 -25.481 8.452 1.00 0.00 C ATOM 833 CD1 LEU A 54 1.268 -26.459 7.708 1.00 0.00 C ATOM 834 CD2 LEU A 54 1.182 -24.552 9.348 1.00 0.00 C ATOM 835 OXT LEU A 54 -3.386 -25.321 8.149 1.00 0.00 O ATOM 0 H LEU A 54 -2.836 -23.953 6.044 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.976 -26.218 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.138 -24.080 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.081 -23.917 8.087 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.334 -26.078 9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.857 -27.024 8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.667 -27.146 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.936 -25.901 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.793 -25.151 10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.828 -23.933 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.519 -23.913 9.931 1.00 0.00 H new TER 847 LEU A 54