USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 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 Set 1.1: A 18 HIS : no HD1:sc= -0.771 K(o=-1.4,f=2.3) USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= -0.667 USER MOD Single : A 1 VAL N :NH3+ -174:sc= -0.17 (180deg=-0.221) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc=-0.000407 X(o=-0.00041,f=-0.0075) USER MOD Single : A 6 ASN : amide:sc= -0.0437 K(o=-0.044,f=-2.8!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.365 X(o=-0.36,f=0.085) USER MOD Single : A 15 TYR OH : rot 150:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.38) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.143 20.418 7.078 1.00 0.00 N ATOM 2 CA VAL A 1 5.400 20.059 8.307 1.00 0.00 C ATOM 3 C VAL A 1 4.296 19.078 8.117 1.00 0.00 C ATOM 4 O VAL A 1 3.678 18.995 7.057 1.00 0.00 O ATOM 5 CB VAL A 1 4.876 21.251 9.052 1.00 0.00 C ATOM 6 CG1 VAL A 1 6.027 22.112 9.600 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.928 22.107 8.195 1.00 0.00 C ATOM 0 H1 VAL A 1 6.951 21.024 7.325 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.488 19.553 6.615 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.513 20.930 6.428 1.00 0.00 H new ATOM 0 HA VAL A 1 6.166 19.567 8.907 1.00 0.00 H new ATOM 0 HB VAL A 1 4.297 20.864 9.891 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.618 22.969 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 1 6.635 21.516 10.280 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.645 22.462 8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.576 22.957 8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.459 22.468 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.075 21.504 7.883 1.00 0.00 H new ATOM 19 N VAL A 2 4.006 18.278 9.159 1.00 0.00 N ATOM 20 CA VAL A 2 2.926 17.343 9.213 1.00 0.00 C ATOM 21 C VAL A 2 1.704 17.994 9.763 1.00 0.00 C ATOM 22 O VAL A 2 1.736 18.569 10.850 1.00 0.00 O ATOM 23 CB VAL A 2 3.263 16.157 10.067 1.00 0.00 C ATOM 24 CG1 VAL A 2 2.096 15.159 10.145 1.00 0.00 C ATOM 25 CG2 VAL A 2 4.496 15.436 9.498 1.00 0.00 C ATOM 0 H VAL A 2 4.560 18.285 10.015 1.00 0.00 H new ATOM 0 HA VAL A 2 2.745 17.003 8.193 1.00 0.00 H new ATOM 0 HB VAL A 2 3.468 16.527 11.072 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.381 14.315 10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.224 15.652 10.574 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.855 14.802 9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.735 14.576 10.123 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.285 15.099 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.344 16.121 9.484 1.00 0.00 H new ATOM 35 N SER A 3 0.564 17.925 9.051 1.00 0.00 N ATOM 36 CA SER A 3 -0.710 18.166 9.654 1.00 0.00 C ATOM 37 C SER A 3 -1.674 17.079 9.321 1.00 0.00 C ATOM 38 O SER A 3 -2.262 16.458 10.204 1.00 0.00 O ATOM 39 CB SER A 3 -1.372 19.477 9.197 1.00 0.00 C ATOM 40 OG SER A 3 -0.536 20.600 9.441 1.00 0.00 O ATOM 0 H SER A 3 0.525 17.702 8.056 1.00 0.00 H new ATOM 0 HA SER A 3 -0.499 18.218 10.722 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.601 19.418 8.133 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.319 19.608 9.720 1.00 0.00 H new ATOM 0 HG SER A 3 -0.987 21.415 9.137 1.00 0.00 H new ATOM 46 N HIS A 4 -1.865 16.776 8.024 1.00 0.00 N ATOM 47 CA HIS A 4 -2.790 15.778 7.584 1.00 0.00 C ATOM 48 C HIS A 4 -2.116 14.791 6.694 1.00 0.00 C ATOM 49 O HIS A 4 -1.175 15.137 5.982 1.00 0.00 O ATOM 50 CB HIS A 4 -3.962 16.450 6.849 1.00 0.00 C ATOM 51 CG HIS A 4 -5.100 15.530 6.521 1.00 0.00 C ATOM 52 ND1 HIS A 4 -5.662 15.455 5.274 1.00 0.00 N ATOM 53 CD2 HIS A 4 -5.777 14.651 7.309 1.00 0.00 C ATOM 54 CE1 HIS A 4 -6.620 14.547 5.286 1.00 0.00 C ATOM 55 NE2 HIS A 4 -6.711 14.051 6.506 1.00 0.00 N ATOM 0 H HIS A 4 -1.365 17.236 7.263 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.172 15.243 8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.338 17.268 7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.590 16.891 5.924 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.611 14.463 8.360 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.227 14.259 4.440 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.372 13.334 6.804 1.00 0.00 H new ATOM 64 N PHE A 5 -2.568 13.525 6.670 1.00 0.00 N ATOM 65 CA PHE A 5 -2.119 12.551 5.723 1.00 0.00 C ATOM 66 C PHE A 5 -3.176 12.304 4.703 1.00 0.00 C ATOM 67 O PHE A 5 -4.375 12.404 4.957 1.00 0.00 O ATOM 68 CB PHE A 5 -1.715 11.229 6.395 1.00 0.00 C ATOM 69 CG PHE A 5 -0.362 11.384 7.000 1.00 0.00 C ATOM 70 CD1 PHE A 5 0.750 11.208 6.211 1.00 0.00 C ATOM 71 CD2 PHE A 5 -0.197 11.723 8.322 1.00 0.00 C ATOM 72 CE1 PHE A 5 2.013 11.383 6.726 1.00 0.00 C ATOM 73 CE2 PHE A 5 1.062 11.894 8.846 1.00 0.00 C ATOM 74 CZ PHE A 5 2.168 11.732 8.046 1.00 0.00 C ATOM 0 H PHE A 5 -3.263 13.169 7.325 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.230 12.955 5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.441 10.959 7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.710 10.421 5.663 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.630 10.929 5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.063 11.856 8.953 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.879 11.247 6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.182 12.156 9.887 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.157 11.879 8.454 1.00 0.00 H new ATOM 84 N ASN A 6 -2.750 11.973 3.470 1.00 0.00 N ATOM 85 CA ASN A 6 -3.614 11.826 2.339 1.00 0.00 C ATOM 86 C ASN A 6 -3.809 10.377 2.051 1.00 0.00 C ATOM 87 O ASN A 6 -3.151 9.518 2.637 1.00 0.00 O ATOM 88 CB ASN A 6 -3.021 12.522 1.103 1.00 0.00 C ATOM 89 CG ASN A 6 -2.971 14.025 1.333 1.00 0.00 C ATOM 90 OD1 ASN A 6 -2.030 14.579 1.899 1.00 0.00 O ATOM 91 ND2 ASN A 6 -4.023 14.744 0.857 1.00 0.00 N ATOM 0 H ASN A 6 -1.768 11.802 3.253 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.572 12.291 2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.019 12.141 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -3.625 12.299 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.039 15.758 0.967 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.796 14.269 0.390 1.00 0.00 H new ATOM 98 N ASP A 7 -4.764 10.058 1.161 1.00 0.00 N ATOM 99 CA ASP A 7 -5.105 8.727 0.763 1.00 0.00 C ATOM 100 C ASP A 7 -5.150 8.692 -0.725 1.00 0.00 C ATOM 101 O ASP A 7 -5.028 9.718 -1.393 1.00 0.00 O ATOM 102 CB ASP A 7 -6.491 8.348 1.312 1.00 0.00 C ATOM 103 CG ASP A 7 -6.576 8.507 2.823 1.00 0.00 C ATOM 104 OD1 ASP A 7 -5.951 7.696 3.557 1.00 0.00 O ATOM 105 OD2 ASP A 7 -7.297 9.430 3.288 1.00 0.00 O ATOM 0 H ASP A 7 -5.329 10.767 0.693 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.368 8.024 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.250 8.972 0.840 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.716 7.316 1.044 1.00 0.00 H new ATOM 110 N CYS A 8 -5.381 7.512 -1.329 1.00 0.00 N ATOM 111 CA CYS A 8 -5.719 7.388 -2.713 1.00 0.00 C ATOM 112 C CYS A 8 -7.098 6.858 -2.905 1.00 0.00 C ATOM 113 O CYS A 8 -7.259 5.667 -3.166 1.00 0.00 O ATOM 114 CB CYS A 8 -4.670 6.569 -3.485 1.00 0.00 C ATOM 115 SG CYS A 8 -4.287 4.932 -2.797 1.00 0.00 S ATOM 0 H CYS A 8 -5.331 6.618 -0.840 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.710 8.393 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.019 6.440 -4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.747 7.148 -3.533 1.00 0.00 H new ATOM 120 N PRO A 9 -8.157 7.605 -2.798 1.00 0.00 N ATOM 121 CA PRO A 9 -9.480 7.069 -2.946 1.00 0.00 C ATOM 122 C PRO A 9 -9.837 6.802 -4.367 1.00 0.00 C ATOM 123 O PRO A 9 -10.192 5.671 -4.698 1.00 0.00 O ATOM 124 CB PRO A 9 -10.396 8.112 -2.309 1.00 0.00 C ATOM 125 CG PRO A 9 -9.630 9.441 -2.416 1.00 0.00 C ATOM 126 CD PRO A 9 -8.170 8.975 -2.312 1.00 0.00 C ATOM 0 HA PRO A 9 -9.571 6.095 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.353 8.166 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.612 7.864 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.829 9.952 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.896 10.131 -1.616 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.514 9.608 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.815 9.028 -1.283 1.00 0.00 H new ATOM 134 N LEU A 10 -9.786 7.832 -5.231 1.00 0.00 N ATOM 135 CA LEU A 10 -10.090 7.793 -6.628 1.00 0.00 C ATOM 136 C LEU A 10 -9.084 7.125 -7.499 1.00 0.00 C ATOM 137 O LEU A 10 -9.448 6.381 -8.408 1.00 0.00 O ATOM 138 CB LEU A 10 -10.485 9.191 -7.133 1.00 0.00 C ATOM 139 CG LEU A 10 -9.487 10.334 -6.883 1.00 0.00 C ATOM 140 CD1 LEU A 10 -8.638 10.661 -8.123 1.00 0.00 C ATOM 141 CD2 LEU A 10 -10.231 11.604 -6.435 1.00 0.00 C ATOM 0 H LEU A 10 -9.510 8.766 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.950 7.129 -6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.662 9.125 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -11.433 9.463 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.814 9.992 -6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.951 11.475 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.069 9.779 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.291 10.961 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.512 12.405 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.932 11.908 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.776 11.400 -5.513 1.00 0.00 H new ATOM 153 N SER A 11 -7.778 7.358 -7.276 1.00 0.00 N ATOM 154 CA SER A 11 -6.727 6.819 -8.081 1.00 0.00 C ATOM 155 C SER A 11 -6.331 5.448 -7.653 1.00 0.00 C ATOM 156 O SER A 11 -6.282 5.130 -6.466 1.00 0.00 O ATOM 157 CB SER A 11 -5.466 7.698 -8.059 1.00 0.00 C ATOM 158 OG SER A 11 -4.496 7.302 -9.017 1.00 0.00 O ATOM 0 H SER A 11 -7.443 7.941 -6.509 1.00 0.00 H new ATOM 0 HA SER A 11 -7.137 6.786 -9.091 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.749 8.734 -8.244 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.022 7.662 -7.064 1.00 0.00 H new ATOM 0 HG SER A 11 -3.718 7.895 -8.959 1.00 0.00 H new ATOM 164 N HIS A 12 -6.016 4.574 -8.625 1.00 0.00 N ATOM 165 CA HIS A 12 -5.373 3.315 -8.410 1.00 0.00 C ATOM 166 C HIS A 12 -3.963 3.410 -8.885 1.00 0.00 C ATOM 167 O HIS A 12 -3.718 3.886 -9.992 1.00 0.00 O ATOM 168 CB HIS A 12 -6.132 2.213 -9.167 1.00 0.00 C ATOM 169 CG HIS A 12 -5.533 0.838 -9.149 1.00 0.00 C ATOM 170 ND1 HIS A 12 -4.713 0.386 -10.149 1.00 0.00 N ATOM 171 CD2 HIS A 12 -5.668 -0.185 -8.262 1.00 0.00 C ATOM 172 CE1 HIS A 12 -4.365 -0.861 -9.890 1.00 0.00 C ATOM 173 NE2 HIS A 12 -4.928 -1.227 -8.753 1.00 0.00 N ATOM 0 H HIS A 12 -6.219 4.754 -9.608 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.376 3.064 -7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.138 2.149 -8.753 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.234 2.525 -10.207 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.246 -0.177 -7.350 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -3.727 -1.478 -10.505 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.828 -2.141 -8.311 1.00 0.00 H new ATOM 182 N ASP A 13 -2.978 2.954 -8.093 1.00 0.00 N ATOM 183 CA ASP A 13 -1.594 2.961 -8.460 1.00 0.00 C ATOM 184 C ASP A 13 -1.218 1.679 -9.119 1.00 0.00 C ATOM 185 O ASP A 13 -1.770 0.614 -8.846 1.00 0.00 O ATOM 186 CB ASP A 13 -0.682 3.279 -7.263 1.00 0.00 C ATOM 187 CG ASP A 13 0.723 3.717 -7.655 1.00 0.00 C ATOM 188 OD1 ASP A 13 0.983 3.927 -8.869 1.00 0.00 O ATOM 189 OD2 ASP A 13 1.585 3.896 -6.754 1.00 0.00 O ATOM 0 H ASP A 13 -3.149 2.567 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.446 3.764 -9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.144 4.066 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.612 2.396 -6.628 1.00 0.00 H new ATOM 194 N GLY A 14 -0.242 1.750 -10.042 1.00 0.00 N ATOM 195 CA GLY A 14 0.124 0.718 -10.961 1.00 0.00 C ATOM 196 C GLY A 14 1.307 -0.097 -10.565 1.00 0.00 C ATOM 197 O GLY A 14 1.544 -1.154 -11.148 1.00 0.00 O ATOM 0 H GLY A 14 0.330 2.587 -10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.728 0.051 -11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.325 1.173 -11.931 1.00 0.00 H new ATOM 201 N TYR A 15 2.099 0.351 -9.574 1.00 0.00 N ATOM 202 CA TYR A 15 3.249 -0.356 -9.104 1.00 0.00 C ATOM 203 C TYR A 15 2.895 -1.475 -8.187 1.00 0.00 C ATOM 204 O TYR A 15 3.335 -2.607 -8.384 1.00 0.00 O ATOM 205 CB TYR A 15 4.235 0.606 -8.420 1.00 0.00 C ATOM 206 CG TYR A 15 5.501 -0.070 -8.020 1.00 0.00 C ATOM 207 CD1 TYR A 15 6.430 -0.429 -8.968 1.00 0.00 C ATOM 208 CD2 TYR A 15 5.716 -0.420 -6.707 1.00 0.00 C ATOM 209 CE1 TYR A 15 7.554 -1.134 -8.611 1.00 0.00 C ATOM 210 CE2 TYR A 15 6.838 -1.127 -6.344 1.00 0.00 C ATOM 211 CZ TYR A 15 7.763 -1.480 -7.297 1.00 0.00 C ATOM 212 OH TYR A 15 8.924 -2.195 -6.934 1.00 0.00 O ATOM 0 H TYR A 15 1.934 1.231 -9.086 1.00 0.00 H new ATOM 0 HA TYR A 15 3.728 -0.797 -9.978 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.464 1.429 -9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.763 1.040 -7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.275 -0.155 -10.001 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.996 -0.136 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.275 -1.417 -9.364 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.992 -1.404 -5.312 1.00 0.00 H new ATOM 0 HH TYR A 15 9.179 -1.961 -6.017 1.00 0.00 H new ATOM 222 N CYS A 16 2.054 -1.207 -7.173 1.00 0.00 N ATOM 223 CA CYS A 16 1.719 -2.156 -6.156 1.00 0.00 C ATOM 224 C CYS A 16 0.536 -2.953 -6.588 1.00 0.00 C ATOM 225 O CYS A 16 -0.446 -2.420 -7.103 1.00 0.00 O ATOM 226 CB CYS A 16 1.323 -1.484 -4.831 1.00 0.00 C ATOM 227 SG CYS A 16 2.630 -0.457 -4.098 1.00 0.00 S ATOM 0 H CYS A 16 1.593 -0.304 -7.056 1.00 0.00 H new ATOM 0 HA CYS A 16 2.607 -2.770 -6.005 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.442 -0.865 -4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.039 -2.256 -4.116 1.00 0.00 H new ATOM 232 N LEU A 17 0.580 -4.286 -6.412 1.00 0.00 N ATOM 233 CA LEU A 17 -0.487 -5.152 -6.808 1.00 0.00 C ATOM 234 C LEU A 17 -1.492 -5.284 -5.716 1.00 0.00 C ATOM 235 O LEU A 17 -1.280 -4.859 -4.581 1.00 0.00 O ATOM 236 CB LEU A 17 0.012 -6.546 -7.223 1.00 0.00 C ATOM 237 CG LEU A 17 0.833 -6.627 -8.521 1.00 0.00 C ATOM 238 CD1 LEU A 17 0.169 -5.907 -9.707 1.00 0.00 C ATOM 239 CD2 LEU A 17 2.288 -6.155 -8.364 1.00 0.00 C ATOM 0 H LEU A 17 1.370 -4.771 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.954 -4.693 -7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.619 -6.946 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.853 -7.201 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 17 0.858 -7.693 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.800 -6.003 -10.590 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.804 -6.355 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.040 -4.852 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.804 -6.241 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.300 -5.115 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.793 -6.774 -7.622 1.00 0.00 H new ATOM 251 N HIS A 18 -2.653 -5.883 -6.035 1.00 0.00 N ATOM 252 CA HIS A 18 -3.658 -6.288 -5.102 1.00 0.00 C ATOM 253 C HIS A 18 -4.378 -5.181 -4.410 1.00 0.00 C ATOM 254 O HIS A 18 -4.879 -5.359 -3.301 1.00 0.00 O ATOM 255 CB HIS A 18 -3.089 -7.302 -4.096 1.00 0.00 C ATOM 256 CG HIS A 18 -4.044 -8.364 -3.638 1.00 0.00 C ATOM 257 ND1 HIS A 18 -3.595 -9.637 -3.409 1.00 0.00 N ATOM 258 CD2 HIS A 18 -5.370 -8.357 -3.333 1.00 0.00 C ATOM 259 CE1 HIS A 18 -4.605 -10.377 -2.990 1.00 0.00 C ATOM 260 NE2 HIS A 18 -5.689 -9.628 -2.935 1.00 0.00 N ATOM 0 H HIS A 18 -2.904 -6.097 -7.000 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.427 -6.765 -5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.223 -7.787 -4.546 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.731 -6.758 -3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.041 -7.513 -3.393 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.552 -11.425 -2.734 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.614 -9.944 -2.644 1.00 0.00 H new ATOM 269 N ASP A 19 -4.454 -4.015 -5.077 1.00 0.00 N ATOM 270 CA ASP A 19 -5.053 -2.788 -4.649 1.00 0.00 C ATOM 271 C ASP A 19 -4.530 -2.253 -3.362 1.00 0.00 C ATOM 272 O ASP A 19 -5.162 -2.321 -2.309 1.00 0.00 O ATOM 273 CB ASP A 19 -6.583 -2.882 -4.758 1.00 0.00 C ATOM 274 CG ASP A 19 -7.173 -1.579 -5.278 1.00 0.00 C ATOM 275 OD1 ASP A 19 -7.132 -0.549 -4.552 1.00 0.00 O ATOM 276 OD2 ASP A 19 -7.663 -1.577 -6.438 1.00 0.00 O ATOM 0 H ASP A 19 -4.054 -3.925 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.738 -2.006 -5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.854 -3.700 -5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.007 -3.113 -3.781 1.00 0.00 H new ATOM 281 N GLY A 20 -3.308 -1.691 -3.403 1.00 0.00 N ATOM 282 CA GLY A 20 -2.559 -1.282 -2.256 1.00 0.00 C ATOM 283 C GLY A 20 -2.909 0.076 -1.753 1.00 0.00 C ATOM 284 O GLY A 20 -3.573 0.860 -2.428 1.00 0.00 O ATOM 0 H GLY A 20 -2.819 -1.513 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.716 -2.006 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.497 -1.304 -2.502 1.00 0.00 H new ATOM 288 N VAL A 21 -2.461 0.412 -0.529 1.00 0.00 N ATOM 289 CA VAL A 21 -2.770 1.651 0.115 1.00 0.00 C ATOM 290 C VAL A 21 -1.702 2.653 -0.159 1.00 0.00 C ATOM 291 O VAL A 21 -0.662 2.711 0.497 1.00 0.00 O ATOM 292 CB VAL A 21 -2.993 1.488 1.589 1.00 0.00 C ATOM 293 CG1 VAL A 21 -3.400 2.824 2.233 1.00 0.00 C ATOM 294 CG2 VAL A 21 -4.099 0.443 1.814 1.00 0.00 C ATOM 0 H VAL A 21 -1.865 -0.198 0.030 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.709 2.013 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.064 1.157 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.556 2.680 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.610 3.559 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.323 3.182 1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.269 0.317 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.020 0.779 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.793 -0.509 1.381 1.00 0.00 H new ATOM 304 N CYS A 22 -1.925 3.490 -1.188 1.00 0.00 N ATOM 305 CA CYS A 22 -1.047 4.515 -1.657 1.00 0.00 C ATOM 306 C CYS A 22 -1.249 5.834 -0.994 1.00 0.00 C ATOM 307 O CYS A 22 -2.369 6.261 -0.721 1.00 0.00 O ATOM 308 CB CYS A 22 -1.186 4.674 -3.181 1.00 0.00 C ATOM 309 SG CYS A 22 -2.771 4.221 -3.942 1.00 0.00 S ATOM 0 H CYS A 22 -2.786 3.445 -1.733 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.040 4.190 -1.397 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.982 5.716 -3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.406 4.076 -3.652 1.00 0.00 H new ATOM 314 N MET A 23 -0.153 6.569 -0.731 1.00 0.00 N ATOM 315 CA MET A 23 -0.244 7.964 -0.433 1.00 0.00 C ATOM 316 C MET A 23 0.993 8.704 -0.810 1.00 0.00 C ATOM 317 O MET A 23 2.107 8.356 -0.419 1.00 0.00 O ATOM 318 CB MET A 23 -0.607 8.276 1.029 1.00 0.00 C ATOM 319 CG MET A 23 0.400 7.858 2.102 1.00 0.00 C ATOM 320 SD MET A 23 -0.099 8.365 3.775 1.00 0.00 S ATOM 321 CE MET A 23 1.455 7.828 4.548 1.00 0.00 C ATOM 0 H MET A 23 0.796 6.196 -0.725 1.00 0.00 H new ATOM 0 HA MET A 23 -1.073 8.312 -1.049 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.767 9.351 1.116 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.558 7.793 1.252 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.522 6.775 2.077 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.372 8.293 1.870 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.418 8.030 5.618 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.592 6.759 4.385 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.289 8.372 4.105 1.00 0.00 H new ATOM 331 N TYR A 24 0.846 9.785 -1.597 1.00 0.00 N ATOM 332 CA TYR A 24 1.823 10.815 -1.771 1.00 0.00 C ATOM 333 C TYR A 24 1.478 11.988 -0.919 1.00 0.00 C ATOM 334 O TYR A 24 0.388 12.546 -1.028 1.00 0.00 O ATOM 335 CB TYR A 24 1.875 11.230 -3.251 1.00 0.00 C ATOM 336 CG TYR A 24 3.213 11.729 -3.677 1.00 0.00 C ATOM 337 CD1 TYR A 24 3.720 12.923 -3.225 1.00 0.00 C ATOM 338 CD2 TYR A 24 3.934 10.979 -4.575 1.00 0.00 C ATOM 339 CE1 TYR A 24 4.964 13.345 -3.635 1.00 0.00 C ATOM 340 CE2 TYR A 24 5.174 11.403 -4.994 1.00 0.00 C ATOM 341 CZ TYR A 24 5.693 12.584 -4.517 1.00 0.00 C ATOM 342 OH TYR A 24 6.965 13.012 -4.952 1.00 0.00 O ATOM 0 H TYR A 24 -0.001 9.949 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 24 2.802 10.441 -1.472 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.599 10.376 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.132 12.007 -3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.141 13.532 -2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.526 10.053 -4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.368 14.275 -3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.739 10.809 -5.697 1.00 0.00 H new ATOM 0 HH TYR A 24 7.338 12.351 -5.572 1.00 0.00 H new ATOM 352 N ILE A 25 2.396 12.425 -0.038 1.00 0.00 N ATOM 353 CA ILE A 25 2.232 13.581 0.786 1.00 0.00 C ATOM 354 C ILE A 25 3.173 14.646 0.339 1.00 0.00 C ATOM 355 O ILE A 25 4.378 14.613 0.583 1.00 0.00 O ATOM 356 CB ILE A 25 2.323 13.332 2.262 1.00 0.00 C ATOM 357 CG1 ILE A 25 3.402 12.332 2.712 1.00 0.00 C ATOM 358 CG2 ILE A 25 0.927 12.953 2.784 1.00 0.00 C ATOM 359 CD1 ILE A 25 3.045 10.848 2.632 1.00 0.00 C ATOM 0 H ILE A 25 3.289 11.953 0.105 1.00 0.00 H new ATOM 0 HA ILE A 25 1.203 13.913 0.649 1.00 0.00 H new ATOM 0 HB ILE A 25 2.664 14.264 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.293 12.500 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.669 12.562 3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.977 12.769 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.231 13.769 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.581 12.052 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.890 10.251 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.178 10.648 3.262 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.813 10.585 1.600 1.00 0.00 H new ATOM 371 N GLU A 26 2.636 15.664 -0.355 1.00 0.00 N ATOM 372 CA GLU A 26 3.355 16.702 -1.027 1.00 0.00 C ATOM 373 C GLU A 26 4.195 17.565 -0.151 1.00 0.00 C ATOM 374 O GLU A 26 5.358 17.818 -0.460 1.00 0.00 O ATOM 375 CB GLU A 26 2.357 17.538 -1.847 1.00 0.00 C ATOM 376 CG GLU A 26 2.943 18.651 -2.720 1.00 0.00 C ATOM 377 CD GLU A 26 3.174 19.972 -2.002 1.00 0.00 C ATOM 378 OE1 GLU A 26 2.374 20.324 -1.096 1.00 0.00 O ATOM 379 OE2 GLU A 26 4.121 20.709 -2.388 1.00 0.00 O ATOM 0 H GLU A 26 1.626 15.769 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 26 4.081 16.211 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.795 16.861 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.643 17.988 -1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.891 18.308 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.273 18.824 -3.562 1.00 0.00 H new ATOM 386 N ALA A 27 3.667 18.010 1.004 1.00 0.00 N ATOM 387 CA ALA A 27 4.330 18.901 1.905 1.00 0.00 C ATOM 388 C ALA A 27 5.536 18.316 2.555 1.00 0.00 C ATOM 389 O ALA A 27 6.493 19.016 2.886 1.00 0.00 O ATOM 390 CB ALA A 27 3.346 19.363 2.992 1.00 0.00 C ATOM 0 H ALA A 27 2.738 17.737 1.323 1.00 0.00 H new ATOM 0 HA ALA A 27 4.675 19.741 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.853 20.042 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.506 19.878 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.980 18.497 3.544 1.00 0.00 H new ATOM 396 N LEU A 28 5.559 16.983 2.738 1.00 0.00 N ATOM 397 CA LEU A 28 6.678 16.296 3.304 1.00 0.00 C ATOM 398 C LEU A 28 7.639 15.892 2.239 1.00 0.00 C ATOM 399 O LEU A 28 8.816 15.665 2.512 1.00 0.00 O ATOM 400 CB LEU A 28 6.254 15.017 4.047 1.00 0.00 C ATOM 401 CG LEU A 28 5.096 15.158 5.047 1.00 0.00 C ATOM 402 CD1 LEU A 28 5.015 13.894 5.919 1.00 0.00 C ATOM 403 CD2 LEU A 28 5.194 16.393 5.961 1.00 0.00 C ATOM 0 H LEU A 28 4.783 16.370 2.487 1.00 0.00 H new ATOM 0 HA LEU A 28 7.140 16.991 4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.975 14.268 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.121 14.629 4.581 1.00 0.00 H new ATOM 0 HG LEU A 28 4.196 15.289 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.194 13.994 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.843 13.025 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.951 13.767 6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.338 16.416 6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.114 16.342 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.200 17.297 5.352 1.00 0.00 H new ATOM 415 N ASP A 29 7.142 15.778 0.994 1.00 0.00 N ATOM 416 CA ASP A 29 7.816 15.395 -0.208 1.00 0.00 C ATOM 417 C ASP A 29 8.017 13.921 -0.296 1.00 0.00 C ATOM 418 O ASP A 29 8.859 13.426 -1.044 1.00 0.00 O ATOM 419 CB ASP A 29 9.082 16.244 -0.415 1.00 0.00 C ATOM 420 CG ASP A 29 9.642 16.240 -1.830 1.00 0.00 C ATOM 421 OD1 ASP A 29 8.860 16.274 -2.817 1.00 0.00 O ATOM 422 OD2 ASP A 29 10.896 16.233 -1.959 1.00 0.00 O ATOM 0 H ASP A 29 6.158 15.977 0.813 1.00 0.00 H new ATOM 0 HA ASP A 29 7.175 15.618 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.860 17.273 -0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.855 15.886 0.265 1.00 0.00 H new ATOM 427 N LYS A 30 7.236 13.135 0.467 1.00 0.00 N ATOM 428 CA LYS A 30 7.424 11.729 0.640 1.00 0.00 C ATOM 429 C LYS A 30 6.262 10.940 0.143 1.00 0.00 C ATOM 430 O LYS A 30 5.137 11.429 0.045 1.00 0.00 O ATOM 431 CB LYS A 30 7.655 11.349 2.113 1.00 0.00 C ATOM 432 CG LYS A 30 8.789 12.108 2.807 1.00 0.00 C ATOM 433 CD LYS A 30 10.120 12.059 2.054 1.00 0.00 C ATOM 434 CE LYS A 30 11.233 12.826 2.769 1.00 0.00 C ATOM 435 NZ LYS A 30 12.418 12.965 1.892 1.00 0.00 N ATOM 0 H LYS A 30 6.437 13.497 0.987 1.00 0.00 H new ATOM 0 HA LYS A 30 8.311 11.487 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.731 11.521 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.866 10.281 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.492 13.149 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.932 11.694 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.424 11.020 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.983 12.473 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.872 13.812 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.511 12.304 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.163 13.488 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.772 12.022 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.153 13.483 1.030 1.00 0.00 H new ATOM 449 N TYR A 31 6.492 9.659 -0.195 1.00 0.00 N ATOM 450 CA TYR A 31 5.417 8.769 -0.506 1.00 0.00 C ATOM 451 C TYR A 31 5.598 7.369 -0.030 1.00 0.00 C ATOM 452 O TYR A 31 6.712 6.917 0.231 1.00 0.00 O ATOM 453 CB TYR A 31 4.932 8.872 -1.961 1.00 0.00 C ATOM 454 CG TYR A 31 5.798 8.270 -3.014 1.00 0.00 C ATOM 455 CD1 TYR A 31 7.057 8.756 -3.278 1.00 0.00 C ATOM 456 CD2 TYR A 31 5.257 7.307 -3.832 1.00 0.00 C ATOM 457 CE1 TYR A 31 7.767 8.286 -4.358 1.00 0.00 C ATOM 458 CE2 TYR A 31 5.953 6.849 -4.925 1.00 0.00 C ATOM 459 CZ TYR A 31 7.210 7.341 -5.188 1.00 0.00 C ATOM 460 OH TYR A 31 7.936 6.909 -6.318 1.00 0.00 O ATOM 0 H TYR A 31 7.420 9.240 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 31 4.591 9.140 0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.950 8.403 -2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.797 9.927 -2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.489 9.509 -2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.278 6.907 -3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.761 8.659 -4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.515 6.106 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 31 7.413 6.239 -6.806 1.00 0.00 H new ATOM 470 N ALA A 32 4.498 6.606 0.102 1.00 0.00 N ATOM 471 CA ALA A 32 4.540 5.242 0.526 1.00 0.00 C ATOM 472 C ALA A 32 3.412 4.440 -0.026 1.00 0.00 C ATOM 473 O ALA A 32 2.367 4.966 -0.408 1.00 0.00 O ATOM 474 CB ALA A 32 4.515 5.152 2.062 1.00 0.00 C ATOM 0 H ALA A 32 3.556 6.946 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 32 5.472 4.827 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.548 4.106 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.379 5.676 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.601 5.611 2.439 1.00 0.00 H new ATOM 480 N CYS A 33 3.604 3.111 -0.093 1.00 0.00 N ATOM 481 CA CYS A 33 2.614 2.141 -0.449 1.00 0.00 C ATOM 482 C CYS A 33 2.530 1.137 0.648 1.00 0.00 C ATOM 483 O CYS A 33 3.465 0.370 0.876 1.00 0.00 O ATOM 484 CB CYS A 33 2.977 1.464 -1.780 1.00 0.00 C ATOM 485 SG CYS A 33 1.742 0.310 -2.442 1.00 0.00 S ATOM 0 H CYS A 33 4.508 2.687 0.115 1.00 0.00 H new ATOM 0 HA CYS A 33 1.647 2.626 -0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.157 2.240 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.916 0.926 -1.648 1.00 0.00 H new ATOM 490 N ASN A 34 1.421 1.103 1.408 1.00 0.00 N ATOM 491 CA ASN A 34 1.244 0.220 2.519 1.00 0.00 C ATOM 492 C ASN A 34 0.442 -0.966 2.102 1.00 0.00 C ATOM 493 O ASN A 34 -0.463 -0.868 1.275 1.00 0.00 O ATOM 494 CB ASN A 34 0.613 0.987 3.692 1.00 0.00 C ATOM 495 CG ASN A 34 0.679 0.242 5.017 1.00 0.00 C ATOM 496 OD1 ASN A 34 -0.337 -0.065 5.640 1.00 0.00 O ATOM 497 ND2 ASN A 34 1.919 -0.049 5.495 1.00 0.00 N ATOM 0 H ASN A 34 0.619 1.712 1.243 1.00 0.00 H new ATOM 0 HA ASN A 34 2.208 -0.155 2.862 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.117 1.947 3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -0.430 1.199 3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.021 -0.532 6.388 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.747 0.216 4.961 1.00 0.00 H new ATOM 504 N CYS A 35 0.772 -2.154 2.637 1.00 0.00 N ATOM 505 CA CYS A 35 0.260 -3.402 2.161 1.00 0.00 C ATOM 506 C CYS A 35 -0.421 -4.179 3.234 1.00 0.00 C ATOM 507 O CYS A 35 -0.172 -3.996 4.425 1.00 0.00 O ATOM 508 CB CYS A 35 1.416 -4.220 1.562 1.00 0.00 C ATOM 509 SG CYS A 35 0.930 -5.493 0.360 1.00 0.00 S ATOM 0 H CYS A 35 1.414 -2.250 3.424 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.490 -3.194 1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.111 -3.534 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.958 -4.701 2.376 1.00 0.00 H new ATOM 514 N VAL A 36 -1.327 -5.096 2.848 1.00 0.00 N ATOM 515 CA VAL A 36 -2.080 -5.961 3.703 1.00 0.00 C ATOM 516 C VAL A 36 -1.246 -7.072 4.243 1.00 0.00 C ATOM 517 O VAL A 36 -0.101 -7.302 3.859 1.00 0.00 O ATOM 518 CB VAL A 36 -3.307 -6.404 2.961 1.00 0.00 C ATOM 519 CG1 VAL A 36 -4.185 -7.496 3.597 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.209 -5.174 2.773 1.00 0.00 C ATOM 0 H VAL A 36 -1.549 -5.243 1.863 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.408 -5.428 4.595 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.912 -6.852 2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.032 -7.708 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.596 -8.403 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.550 -7.152 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.112 -5.464 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.481 -4.770 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.675 -4.415 2.202 1.00 0.00 H new ATOM 530 N VAL A 37 -1.786 -7.811 5.229 1.00 0.00 N ATOM 531 CA VAL A 37 -1.175 -8.891 5.939 1.00 0.00 C ATOM 532 C VAL A 37 -0.986 -10.093 5.077 1.00 0.00 C ATOM 533 O VAL A 37 -1.913 -10.589 4.438 1.00 0.00 O ATOM 534 CB VAL A 37 -1.981 -9.264 7.147 1.00 0.00 C ATOM 535 CG1 VAL A 37 -1.251 -10.311 8.006 1.00 0.00 C ATOM 536 CG2 VAL A 37 -2.248 -8.009 7.996 1.00 0.00 C ATOM 0 H VAL A 37 -2.736 -7.635 5.557 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.192 -8.540 6.254 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.922 -9.695 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.862 -10.560 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.078 -11.210 7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.295 -9.906 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.834 -8.281 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.299 -7.576 8.313 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.800 -7.279 7.403 1.00 0.00 H new ATOM 546 N GLY A 38 0.251 -10.619 5.036 1.00 0.00 N ATOM 547 CA GLY A 38 0.573 -11.847 4.378 1.00 0.00 C ATOM 548 C GLY A 38 0.987 -11.722 2.953 1.00 0.00 C ATOM 549 O GLY A 38 0.969 -12.705 2.214 1.00 0.00 O ATOM 0 H GLY A 38 1.056 -10.173 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.376 -12.335 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.295 -12.505 4.430 1.00 0.00 H new ATOM 553 N TYR A 39 1.422 -10.519 2.539 1.00 0.00 N ATOM 554 CA TYR A 39 1.893 -10.237 1.218 1.00 0.00 C ATOM 555 C TYR A 39 3.299 -9.751 1.298 1.00 0.00 C ATOM 556 O TYR A 39 3.627 -8.882 2.104 1.00 0.00 O ATOM 557 CB TYR A 39 1.043 -9.156 0.529 1.00 0.00 C ATOM 558 CG TYR A 39 -0.329 -9.686 0.291 1.00 0.00 C ATOM 559 CD1 TYR A 39 -0.537 -10.636 -0.681 1.00 0.00 C ATOM 560 CD2 TYR A 39 -1.390 -9.260 1.054 1.00 0.00 C ATOM 561 CE1 TYR A 39 -1.791 -11.163 -0.884 1.00 0.00 C ATOM 562 CE2 TYR A 39 -2.648 -9.781 0.855 1.00 0.00 C ATOM 563 CZ TYR A 39 -2.848 -10.735 -0.115 1.00 0.00 C ATOM 564 OH TYR A 39 -4.143 -11.258 -0.316 1.00 0.00 O ATOM 0 H TYR A 39 1.447 -9.705 3.153 1.00 0.00 H new ATOM 0 HA TYR A 39 1.825 -11.155 0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.997 -8.262 1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.501 -8.864 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.290 -10.971 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.235 -8.510 1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.946 -11.912 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.476 -9.441 1.459 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.766 -10.842 0.316 1.00 0.00 H new ATOM 574 N ILE A 40 4.196 -10.330 0.480 1.00 0.00 N ATOM 575 CA ILE A 40 5.599 -10.057 0.510 1.00 0.00 C ATOM 576 C ILE A 40 6.071 -9.742 -0.868 1.00 0.00 C ATOM 577 O ILE A 40 5.410 -10.016 -1.868 1.00 0.00 O ATOM 578 CB ILE A 40 6.393 -11.175 1.118 1.00 0.00 C ATOM 579 CG1 ILE A 40 5.992 -12.537 0.529 1.00 0.00 C ATOM 580 CG2 ILE A 40 6.207 -11.142 2.644 1.00 0.00 C ATOM 581 CD1 ILE A 40 6.916 -13.684 0.936 1.00 0.00 C ATOM 0 H ILE A 40 3.934 -11.014 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 40 5.760 -9.193 1.154 1.00 0.00 H new ATOM 0 HB ILE A 40 7.448 -11.037 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.976 -12.773 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.979 -12.462 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.780 -11.951 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.558 -10.186 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.151 -11.266 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.567 -14.611 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.930 -13.472 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.911 -13.788 2.021 1.00 0.00 H new ATOM 593 N GLY A 41 7.256 -9.115 -0.981 1.00 0.00 N ATOM 594 CA GLY A 41 7.837 -8.687 -2.214 1.00 0.00 C ATOM 595 C GLY A 41 7.752 -7.208 -2.381 1.00 0.00 C ATOM 596 O GLY A 41 7.010 -6.509 -1.693 1.00 0.00 O ATOM 0 H GLY A 41 7.837 -8.896 -0.171 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.881 -8.998 -2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.329 -9.177 -3.045 1.00 0.00 H new ATOM 600 N GLU A 42 8.497 -6.679 -3.366 1.00 0.00 N ATOM 601 CA GLU A 42 8.696 -5.291 -3.650 1.00 0.00 C ATOM 602 C GLU A 42 7.418 -4.566 -3.898 1.00 0.00 C ATOM 603 O GLU A 42 7.177 -3.458 -3.423 1.00 0.00 O ATOM 604 CB GLU A 42 9.543 -5.143 -4.926 1.00 0.00 C ATOM 605 CG GLU A 42 10.980 -5.658 -4.828 1.00 0.00 C ATOM 606 CD GLU A 42 11.855 -4.845 -3.884 1.00 0.00 C ATOM 607 OE1 GLU A 42 11.953 -3.600 -4.055 1.00 0.00 O ATOM 608 OE2 GLU A 42 12.489 -5.453 -2.981 1.00 0.00 O ATOM 0 H GLU A 42 9.004 -7.275 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 42 9.186 -4.865 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.041 -5.671 -5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.572 -4.089 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.964 -6.695 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.428 -5.652 -5.822 1.00 0.00 H new ATOM 615 N ARG A 43 6.540 -5.218 -4.680 1.00 0.00 N ATOM 616 CA ARG A 43 5.290 -4.699 -5.143 1.00 0.00 C ATOM 617 C ARG A 43 4.137 -5.455 -4.580 1.00 0.00 C ATOM 618 O ARG A 43 3.032 -5.386 -5.116 1.00 0.00 O ATOM 619 CB ARG A 43 5.325 -4.749 -6.680 1.00 0.00 C ATOM 620 CG ARG A 43 5.738 -6.091 -7.288 1.00 0.00 C ATOM 621 CD ARG A 43 5.833 -6.081 -8.815 1.00 0.00 C ATOM 622 NE ARG A 43 7.027 -5.289 -9.224 1.00 0.00 N ATOM 623 CZ ARG A 43 6.977 -4.303 -10.167 1.00 0.00 C ATOM 624 NH1 ARG A 43 5.829 -3.610 -10.419 1.00 0.00 N ATOM 625 NH2 ARG A 43 8.095 -4.014 -10.894 1.00 0.00 N ATOM 0 H ARG A 43 6.714 -6.167 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 43 5.151 -3.672 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.336 -4.489 -7.057 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.013 -3.982 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.704 -6.382 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.019 -6.852 -6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.910 -7.100 -9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.930 -5.649 -9.245 1.00 0.00 H new ATOM 0 HE ARG A 43 7.922 -5.493 -8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.979 -3.824 -9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.821 -2.878 -11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.958 -4.533 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.068 -3.279 -11.601 1.00 0.00 H new ATOM 639 N CYS A 44 4.347 -6.200 -3.480 1.00 0.00 N ATOM 640 CA CYS A 44 3.423 -7.131 -2.910 1.00 0.00 C ATOM 641 C CYS A 44 3.017 -8.220 -3.842 1.00 0.00 C ATOM 642 O CYS A 44 1.856 -8.417 -4.198 1.00 0.00 O ATOM 643 CB CYS A 44 2.226 -6.492 -2.186 1.00 0.00 C ATOM 644 SG CYS A 44 2.703 -5.914 -0.531 1.00 0.00 S ATOM 0 H CYS A 44 5.220 -6.148 -2.955 1.00 0.00 H new ATOM 0 HA CYS A 44 4.001 -7.610 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.846 -5.655 -2.772 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.417 -7.217 -2.103 1.00 0.00 H new ATOM 649 N GLN A 45 4.034 -8.984 -4.278 1.00 0.00 N ATOM 650 CA GLN A 45 3.956 -9.919 -5.358 1.00 0.00 C ATOM 651 C GLN A 45 3.618 -11.298 -4.902 1.00 0.00 C ATOM 652 O GLN A 45 2.851 -12.003 -5.554 1.00 0.00 O ATOM 653 CB GLN A 45 5.312 -9.907 -6.084 1.00 0.00 C ATOM 654 CG GLN A 45 5.411 -10.646 -7.420 1.00 0.00 C ATOM 655 CD GLN A 45 4.770 -9.942 -8.608 1.00 0.00 C ATOM 656 OE1 GLN A 45 5.448 -9.549 -9.555 1.00 0.00 O ATOM 657 NE2 GLN A 45 3.419 -9.792 -8.597 1.00 0.00 N ATOM 0 H GLN A 45 4.961 -8.947 -3.854 1.00 0.00 H new ATOM 0 HA GLN A 45 3.149 -9.620 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.592 -8.867 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.057 -10.331 -5.410 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.464 -10.814 -7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.948 -11.626 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.875 -10.125 -7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.949 -9.346 -9.385 1.00 0.00 H new ATOM 666 N TYR A 46 4.177 -11.770 -3.774 1.00 0.00 N ATOM 667 CA TYR A 46 4.032 -13.128 -3.351 1.00 0.00 C ATOM 668 C TYR A 46 3.233 -13.211 -2.098 1.00 0.00 C ATOM 669 O TYR A 46 3.020 -12.232 -1.384 1.00 0.00 O ATOM 670 CB TYR A 46 5.361 -13.872 -3.135 1.00 0.00 C ATOM 671 CG TYR A 46 6.395 -13.443 -4.118 1.00 0.00 C ATOM 672 CD1 TYR A 46 6.303 -13.806 -5.442 1.00 0.00 C ATOM 673 CD2 TYR A 46 7.433 -12.639 -3.708 1.00 0.00 C ATOM 674 CE1 TYR A 46 7.243 -13.375 -6.347 1.00 0.00 C ATOM 675 CE2 TYR A 46 8.372 -12.203 -4.611 1.00 0.00 C ATOM 676 CZ TYR A 46 8.282 -12.575 -5.932 1.00 0.00 C ATOM 677 OH TYR A 46 9.250 -12.123 -6.854 1.00 0.00 O ATOM 0 H TYR A 46 4.740 -11.198 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 46 3.517 -13.621 -4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.722 -13.688 -2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.196 -14.946 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.488 -14.433 -5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.510 -12.349 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.166 -13.665 -7.385 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.182 -11.568 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 46 9.910 -11.568 -6.389 1.00 0.00 H new ATOM 687 N ARG A 47 2.765 -14.431 -1.778 1.00 0.00 N ATOM 688 CA ARG A 47 2.034 -14.739 -0.588 1.00 0.00 C ATOM 689 C ARG A 47 2.938 -15.414 0.386 1.00 0.00 C ATOM 690 O ARG A 47 3.761 -16.255 0.028 1.00 0.00 O ATOM 691 CB ARG A 47 0.811 -15.610 -0.922 1.00 0.00 C ATOM 692 CG ARG A 47 1.091 -16.719 -1.939 1.00 0.00 C ATOM 693 CD ARG A 47 -0.098 -17.649 -2.187 1.00 0.00 C ATOM 694 NE ARG A 47 0.328 -18.628 -3.227 1.00 0.00 N ATOM 695 CZ ARG A 47 -0.398 -19.738 -3.548 1.00 0.00 C ATOM 696 NH1 ARG A 47 -1.583 -20.035 -2.940 1.00 0.00 N ATOM 697 NH2 ARG A 47 0.023 -20.572 -4.545 1.00 0.00 N ATOM 0 H ARG A 47 2.904 -15.243 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 47 1.665 -13.819 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.438 -16.061 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.017 -14.970 -1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.387 -16.265 -2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.937 -17.312 -1.591 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.386 -18.161 -1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.967 -17.083 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 47 1.204 -18.460 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.955 -19.418 -2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.097 -20.874 -3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.883 -20.366 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.523 -21.401 -4.781 1.00 0.00 H new ATOM 711 N ASP A 48 2.828 -15.051 1.677 1.00 0.00 N ATOM 712 CA ASP A 48 3.620 -15.608 2.729 1.00 0.00 C ATOM 713 C ASP A 48 2.917 -16.807 3.268 1.00 0.00 C ATOM 714 O ASP A 48 1.812 -16.726 3.804 1.00 0.00 O ATOM 715 CB ASP A 48 3.861 -14.508 3.778 1.00 0.00 C ATOM 716 CG ASP A 48 5.031 -14.795 4.707 1.00 0.00 C ATOM 717 OD1 ASP A 48 6.020 -15.453 4.289 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.982 -14.320 5.873 1.00 0.00 O ATOM 0 H ASP A 48 2.165 -14.346 1.999 1.00 0.00 H new ATOM 0 HA ASP A 48 4.597 -15.945 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.039 -13.562 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.957 -14.383 4.374 1.00 0.00 H new ATOM 723 N LEU A 49 3.486 -18.013 3.097 1.00 0.00 N ATOM 724 CA LEU A 49 2.748 -19.237 3.130 1.00 0.00 C ATOM 725 C LEU A 49 2.574 -19.867 4.469 1.00 0.00 C ATOM 726 O LEU A 49 2.283 -21.058 4.573 1.00 0.00 O ATOM 727 CB LEU A 49 3.354 -20.264 2.157 1.00 0.00 C ATOM 728 CG LEU A 49 3.291 -19.862 0.674 1.00 0.00 C ATOM 729 CD1 LEU A 49 4.118 -20.850 -0.165 1.00 0.00 C ATOM 730 CD2 LEU A 49 1.851 -19.815 0.135 1.00 0.00 C ATOM 0 H LEU A 49 4.484 -18.141 2.932 1.00 0.00 H new ATOM 0 HA LEU A 49 1.745 -18.941 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.396 -20.431 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.835 -21.214 2.284 1.00 0.00 H new ATOM 0 HG LEU A 49 3.703 -18.856 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.072 -20.563 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.155 -20.833 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.714 -21.855 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.865 -19.526 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.393 -20.799 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.273 -19.087 0.704 1.00 0.00 H new ATOM 742 N LYS A 50 2.725 -19.120 5.578 1.00 0.00 N ATOM 743 CA LYS A 50 2.813 -19.660 6.900 1.00 0.00 C ATOM 744 C LYS A 50 1.581 -20.345 7.378 1.00 0.00 C ATOM 745 O LYS A 50 1.648 -21.417 7.976 1.00 0.00 O ATOM 746 CB LYS A 50 3.297 -18.592 7.897 1.00 0.00 C ATOM 747 CG LYS A 50 4.817 -18.426 7.961 1.00 0.00 C ATOM 748 CD LYS A 50 5.457 -18.035 6.628 1.00 0.00 C ATOM 749 CE LYS A 50 6.933 -17.651 6.757 1.00 0.00 C ATOM 750 NZ LYS A 50 7.485 -17.355 5.415 1.00 0.00 N ATOM 0 H LYS A 50 2.788 -18.102 5.553 1.00 0.00 H new ATOM 0 HA LYS A 50 3.559 -20.453 6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.851 -17.634 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.930 -18.848 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.058 -17.666 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.260 -19.361 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.364 -18.867 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.906 -17.197 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.038 -16.781 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.492 -18.464 7.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.462 -17.013 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.475 -18.220 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.905 -16.624 4.955 1.00 0.00 H new ATOM 764 N TRP A 51 0.397 -19.765 7.108 1.00 0.00 N ATOM 765 CA TRP A 51 -0.886 -20.347 7.353 1.00 0.00 C ATOM 766 C TRP A 51 -1.411 -21.073 6.163 1.00 0.00 C ATOM 767 O TRP A 51 -2.165 -22.037 6.284 1.00 0.00 O ATOM 768 CB TRP A 51 -1.888 -19.267 7.797 1.00 0.00 C ATOM 769 CG TRP A 51 -1.894 -18.047 6.906 1.00 0.00 C ATOM 770 CD1 TRP A 51 -2.552 -17.860 5.726 1.00 0.00 C ATOM 771 CD2 TRP A 51 -0.956 -16.961 7.031 1.00 0.00 C ATOM 772 NE1 TRP A 51 -2.043 -16.766 5.076 1.00 0.00 N ATOM 773 CE2 TRP A 51 -1.060 -16.206 5.856 1.00 0.00 C ATOM 774 CE3 TRP A 51 -0.040 -16.646 7.997 1.00 0.00 C ATOM 775 CZ2 TRP A 51 -0.233 -15.137 5.644 1.00 0.00 C ATOM 776 CZ3 TRP A 51 0.774 -15.562 7.773 1.00 0.00 C ATOM 777 CH2 TRP A 51 0.687 -14.823 6.616 1.00 0.00 C ATOM 0 H TRP A 51 0.333 -18.835 6.694 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.761 -21.077 8.153 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.889 -19.698 7.817 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.653 -18.961 8.816 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.355 -18.482 5.358 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -2.344 -16.424 4.164 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.040 -17.228 8.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -0.301 -14.555 4.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.499 -15.284 8.523 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.351 -13.984 6.469 1.00 0.00 H new ATOM 788 N TRP A 52 -1.039 -20.645 4.942 1.00 0.00 N ATOM 789 CA TRP A 52 -1.480 -21.231 3.715 1.00 0.00 C ATOM 790 C TRP A 52 -0.967 -22.612 3.492 1.00 0.00 C ATOM 791 O TRP A 52 -1.678 -23.484 2.997 1.00 0.00 O ATOM 792 CB TRP A 52 -1.104 -20.392 2.482 1.00 0.00 C ATOM 793 CG TRP A 52 -1.706 -19.013 2.360 1.00 0.00 C ATOM 794 CD1 TRP A 52 -1.055 -17.831 2.154 1.00 0.00 C ATOM 795 CD2 TRP A 52 -3.113 -18.711 2.319 1.00 0.00 C ATOM 796 NE1 TRP A 52 -1.961 -16.814 1.999 1.00 0.00 N ATOM 797 CE2 TRP A 52 -3.230 -17.333 2.100 1.00 0.00 C ATOM 798 CE3 TRP A 52 -4.228 -19.496 2.429 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -4.457 -16.736 2.018 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -5.456 -18.885 2.347 1.00 0.00 C ATOM 801 CH2 TRP A 52 -5.572 -17.529 2.150 1.00 0.00 C ATOM 0 H TRP A 52 -0.405 -19.858 4.805 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.564 -21.266 3.827 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.019 -20.287 2.466 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.382 -20.959 1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 52 0.018 -17.714 2.118 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.731 -15.834 1.836 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.146 -20.563 2.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.548 -15.672 1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.350 -19.483 2.439 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -6.553 -17.081 2.098 1.00 0.00 H new ATOM 812 N GLU A 53 0.300 -22.877 3.859 1.00 0.00 N ATOM 813 CA GLU A 53 0.850 -24.198 3.877 1.00 0.00 C ATOM 814 C GLU A 53 0.938 -24.700 5.277 1.00 0.00 C ATOM 815 O GLU A 53 2.006 -24.821 5.876 1.00 0.00 O ATOM 816 CB GLU A 53 2.205 -24.300 3.157 1.00 0.00 C ATOM 817 CG GLU A 53 2.539 -25.773 2.914 1.00 0.00 C ATOM 818 CD GLU A 53 3.816 -26.046 2.130 1.00 0.00 C ATOM 819 OE1 GLU A 53 4.702 -25.161 1.995 1.00 0.00 O ATOM 820 OE2 GLU A 53 3.914 -27.206 1.650 1.00 0.00 O ATOM 0 H GLU A 53 0.959 -22.155 4.151 1.00 0.00 H new ATOM 0 HA GLU A 53 0.168 -24.836 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.168 -23.763 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.985 -23.833 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.615 -26.272 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.705 -26.232 2.383 1.00 0.00 H new ATOM 827 N LEU A 54 -0.229 -25.022 5.862 1.00 0.00 N ATOM 828 CA LEU A 54 -0.317 -25.672 7.133 1.00 0.00 C ATOM 829 C LEU A 54 -0.998 -27.018 6.927 1.00 0.00 C ATOM 830 O LEU A 54 -2.249 -27.129 7.024 1.00 0.00 O ATOM 831 CB LEU A 54 -1.020 -24.757 8.149 1.00 0.00 C ATOM 832 CG LEU A 54 -0.721 -25.060 9.627 1.00 0.00 C ATOM 833 CD1 LEU A 54 0.762 -24.879 9.993 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.567 -24.134 10.518 1.00 0.00 C ATOM 835 OXT LEU A 54 -0.278 -28.006 6.622 1.00 0.00 O ATOM 0 H LEU A 54 -1.136 -24.825 5.440 1.00 0.00 H new ATOM 0 HA LEU A 54 0.668 -25.865 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.734 -23.726 7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.096 -24.827 7.992 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.972 -26.108 9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.907 -25.108 11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.371 -25.552 9.389 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.061 -23.849 9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.357 -24.346 11.566 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.319 -23.095 10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.625 -24.304 10.318 1.00 0.00 H new