USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=12 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 23 MET CE :methyl -178:sc= -0.31 (180deg=-0.115) USER MOD Set 1.2: A 34 ASN : amide:sc=-0.00419 X(o=-0.31,f=-0.35) USER MOD Single : A 1 VAL N :NH3+ -155:sc= -0.149 (180deg=-1.34) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 ASN : amide:sc= 0.0662 X(o=0.066,f=-0.0079) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= 0.934 K(o=0.93,f=-4.5!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.524 K(o=0.52,f=-2.6!) USER MOD Single : A 24 TYR OH : rot 1:sc= 1.18 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 65:sc= 1.25 USER MOD Single : A 39 TYR OH : rot -27:sc= 1.26 USER MOD Single : A 45 GLN : amide:sc= -0.193 K(o=-0.19,f=-4.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.099 21.766 3.643 1.00 0.00 N ATOM 2 CA VAL A 1 4.657 21.449 3.744 1.00 0.00 C ATOM 3 C VAL A 1 4.336 20.850 5.070 1.00 0.00 C ATOM 4 O VAL A 1 5.214 20.348 5.769 1.00 0.00 O ATOM 5 CB VAL A 1 4.220 20.631 2.565 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.689 20.557 2.444 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.764 21.213 1.250 1.00 0.00 C ATOM 0 H1 VAL A 1 6.239 22.528 2.949 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.453 22.073 4.571 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.620 20.919 3.337 1.00 0.00 H new ATOM 0 HA VAL A 1 4.071 22.367 3.699 1.00 0.00 H new ATOM 0 HB VAL A 1 4.620 19.631 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.421 19.954 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.275 20.102 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 1 2.284 21.562 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.430 20.598 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.395 22.231 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.854 21.224 1.280 1.00 0.00 H new ATOM 19 N VAL A 2 3.083 20.940 5.550 1.00 0.00 N ATOM 20 CA VAL A 2 2.685 20.539 6.864 1.00 0.00 C ATOM 21 C VAL A 2 2.263 19.111 6.911 1.00 0.00 C ATOM 22 O VAL A 2 1.641 18.581 5.992 1.00 0.00 O ATOM 23 CB VAL A 2 1.631 21.455 7.414 1.00 0.00 C ATOM 24 CG1 VAL A 2 1.177 21.061 8.830 1.00 0.00 C ATOM 25 CG2 VAL A 2 2.200 22.882 7.479 1.00 0.00 C ATOM 0 H VAL A 2 2.311 21.310 4.996 1.00 0.00 H new ATOM 0 HA VAL A 2 3.560 20.623 7.508 1.00 0.00 H new ATOM 0 HB VAL A 2 0.768 21.387 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.414 21.759 9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.764 20.052 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.030 21.092 9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.443 23.558 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.076 22.895 8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.485 23.206 6.478 1.00 0.00 H new ATOM 35 N SER A 3 2.575 18.415 8.018 1.00 0.00 N ATOM 36 CA SER A 3 2.390 17.007 8.191 1.00 0.00 C ATOM 37 C SER A 3 0.986 16.628 8.519 1.00 0.00 C ATOM 38 O SER A 3 0.599 16.570 9.686 1.00 0.00 O ATOM 39 CB SER A 3 3.236 16.470 9.358 1.00 0.00 C ATOM 40 OG SER A 3 4.624 16.707 9.179 1.00 0.00 O ATOM 0 H SER A 3 2.980 18.861 8.841 1.00 0.00 H new ATOM 0 HA SER A 3 2.684 16.581 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.908 16.938 10.286 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.065 15.399 9.464 1.00 0.00 H new ATOM 0 HG SER A 3 5.118 16.350 9.946 1.00 0.00 H new ATOM 46 N HIS A 4 0.166 16.307 7.503 1.00 0.00 N ATOM 47 CA HIS A 4 -1.111 15.688 7.680 1.00 0.00 C ATOM 48 C HIS A 4 -1.209 14.451 6.855 1.00 0.00 C ATOM 49 O HIS A 4 -0.555 14.313 5.822 1.00 0.00 O ATOM 50 CB HIS A 4 -2.288 16.619 7.344 1.00 0.00 C ATOM 51 CG HIS A 4 -2.389 17.796 8.267 1.00 0.00 C ATOM 52 ND1 HIS A 4 -2.109 19.079 7.874 1.00 0.00 N ATOM 53 CD2 HIS A 4 -2.796 17.869 9.563 1.00 0.00 C ATOM 54 CE1 HIS A 4 -2.339 19.902 8.880 1.00 0.00 C ATOM 55 NE2 HIS A 4 -2.747 19.192 9.915 1.00 0.00 N ATOM 0 H HIS A 4 0.399 16.484 6.526 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.184 15.442 8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.180 16.976 6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.217 16.050 7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.099 17.045 10.192 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.214 20.975 8.860 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -2.988 19.569 10.832 1.00 0.00 H new ATOM 64 N PHE A 5 -2.051 13.499 7.295 1.00 0.00 N ATOM 65 CA PHE A 5 -2.320 12.247 6.658 1.00 0.00 C ATOM 66 C PHE A 5 -3.574 12.385 5.864 1.00 0.00 C ATOM 67 O PHE A 5 -4.545 12.984 6.323 1.00 0.00 O ATOM 68 CB PHE A 5 -2.466 11.170 7.745 1.00 0.00 C ATOM 69 CG PHE A 5 -2.531 9.780 7.214 1.00 0.00 C ATOM 70 CD1 PHE A 5 -3.741 9.202 6.908 1.00 0.00 C ATOM 71 CD2 PHE A 5 -1.383 9.036 7.072 1.00 0.00 C ATOM 72 CE1 PHE A 5 -3.805 7.904 6.462 1.00 0.00 C ATOM 73 CE2 PHE A 5 -1.438 7.735 6.633 1.00 0.00 C ATOM 74 CZ PHE A 5 -2.652 7.168 6.324 1.00 0.00 C ATOM 0 H PHE A 5 -2.582 13.614 8.159 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.511 11.958 5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.624 11.246 8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.369 11.370 8.322 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.650 9.774 7.019 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.427 9.479 7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.760 7.462 6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.530 7.159 6.531 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.700 6.147 5.974 1.00 0.00 H new ATOM 84 N ASN A 6 -3.614 11.877 4.620 1.00 0.00 N ATOM 85 CA ASN A 6 -4.728 12.067 3.742 1.00 0.00 C ATOM 86 C ASN A 6 -5.028 10.823 2.980 1.00 0.00 C ATOM 87 O ASN A 6 -4.374 9.790 3.114 1.00 0.00 O ATOM 88 CB ASN A 6 -4.445 13.202 2.743 1.00 0.00 C ATOM 89 CG ASN A 6 -4.340 14.567 3.405 1.00 0.00 C ATOM 90 OD1 ASN A 6 -5.318 15.305 3.517 1.00 0.00 O ATOM 91 ND2 ASN A 6 -3.102 14.961 3.806 1.00 0.00 N ATOM 0 H ASN A 6 -2.859 11.324 4.215 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.587 12.327 4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.516 12.989 2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.239 13.227 1.996 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.968 15.888 4.211 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.307 14.330 3.702 1.00 0.00 H new ATOM 98 N ASP A 7 -6.065 10.882 2.125 1.00 0.00 N ATOM 99 CA ASP A 7 -6.471 9.861 1.210 1.00 0.00 C ATOM 100 C ASP A 7 -5.770 9.962 -0.100 1.00 0.00 C ATOM 101 O ASP A 7 -5.158 10.972 -0.445 1.00 0.00 O ATOM 102 CB ASP A 7 -8.000 9.877 1.049 1.00 0.00 C ATOM 103 CG ASP A 7 -8.552 11.238 0.648 1.00 0.00 C ATOM 104 OD1 ASP A 7 -8.483 12.189 1.472 1.00 0.00 O ATOM 105 OD2 ASP A 7 -9.069 11.363 -0.494 1.00 0.00 O ATOM 0 H ASP A 7 -6.664 11.706 2.071 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.179 8.898 1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.286 9.141 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.460 9.569 1.988 1.00 0.00 H new ATOM 110 N CYS A 8 -5.805 8.886 -0.907 1.00 0.00 N ATOM 111 CA CYS A 8 -5.065 8.786 -2.127 1.00 0.00 C ATOM 112 C CYS A 8 -5.749 9.477 -3.257 1.00 0.00 C ATOM 113 O CYS A 8 -6.908 9.857 -3.104 1.00 0.00 O ATOM 114 CB CYS A 8 -4.845 7.310 -2.496 1.00 0.00 C ATOM 115 SG CYS A 8 -4.143 6.361 -1.116 1.00 0.00 S ATOM 0 H CYS A 8 -6.366 8.059 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.106 9.277 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.794 6.866 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.178 7.247 -3.356 1.00 0.00 H new ATOM 120 N PRO A 9 -5.153 9.675 -4.396 1.00 0.00 N ATOM 121 CA PRO A 9 -5.829 10.223 -5.535 1.00 0.00 C ATOM 122 C PRO A 9 -6.954 9.403 -6.068 1.00 0.00 C ATOM 123 O PRO A 9 -7.147 8.268 -5.636 1.00 0.00 O ATOM 124 CB PRO A 9 -4.736 10.367 -6.590 1.00 0.00 C ATOM 125 CG PRO A 9 -3.486 10.677 -5.750 1.00 0.00 C ATOM 126 CD PRO A 9 -3.707 9.769 -4.530 1.00 0.00 C ATOM 0 HA PRO A 9 -6.312 11.158 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.615 9.454 -7.173 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.958 11.168 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.565 10.435 -6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.428 11.730 -5.473 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.259 8.787 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.253 10.192 -3.634 1.00 0.00 H new ATOM 134 N LEU A 10 -7.732 9.947 -7.021 1.00 0.00 N ATOM 135 CA LEU A 10 -8.955 9.385 -7.505 1.00 0.00 C ATOM 136 C LEU A 10 -8.833 8.020 -8.089 1.00 0.00 C ATOM 137 O LEU A 10 -9.714 7.176 -7.927 1.00 0.00 O ATOM 138 CB LEU A 10 -9.615 10.318 -8.534 1.00 0.00 C ATOM 139 CG LEU A 10 -9.836 11.765 -8.064 1.00 0.00 C ATOM 140 CD1 LEU A 10 -10.545 12.576 -9.163 1.00 0.00 C ATOM 141 CD2 LEU A 10 -10.643 11.856 -6.758 1.00 0.00 C ATOM 0 H LEU A 10 -7.494 10.827 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.579 9.283 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.998 10.336 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.579 9.895 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.849 12.181 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.697 13.599 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.931 12.583 -10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.510 12.121 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.765 12.902 -6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.623 11.402 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.113 11.328 -5.965 1.00 0.00 H new ATOM 153 N SER A 11 -7.707 7.742 -8.770 1.00 0.00 N ATOM 154 CA SER A 11 -7.325 6.442 -9.226 1.00 0.00 C ATOM 155 C SER A 11 -6.184 5.914 -8.426 1.00 0.00 C ATOM 156 O SER A 11 -5.293 6.644 -7.994 1.00 0.00 O ATOM 157 CB SER A 11 -6.946 6.433 -10.717 1.00 0.00 C ATOM 158 OG SER A 11 -6.157 7.555 -11.081 1.00 0.00 O ATOM 0 H SER A 11 -7.028 8.462 -9.015 1.00 0.00 H new ATOM 0 HA SER A 11 -8.196 5.800 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.399 5.518 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.854 6.420 -11.320 1.00 0.00 H new ATOM 0 HG SER A 11 -5.939 7.506 -12.035 1.00 0.00 H new ATOM 164 N HIS A 12 -6.149 4.589 -8.202 1.00 0.00 N ATOM 165 CA HIS A 12 -5.067 3.892 -7.578 1.00 0.00 C ATOM 166 C HIS A 12 -3.890 3.851 -8.491 1.00 0.00 C ATOM 167 O HIS A 12 -4.041 3.913 -9.711 1.00 0.00 O ATOM 168 CB HIS A 12 -5.466 2.460 -7.185 1.00 0.00 C ATOM 169 CG HIS A 12 -6.657 2.375 -6.277 1.00 0.00 C ATOM 170 ND1 HIS A 12 -7.171 1.195 -5.808 1.00 0.00 N ATOM 171 CD2 HIS A 12 -7.412 3.365 -5.728 1.00 0.00 C ATOM 172 CE1 HIS A 12 -8.186 1.451 -5.004 1.00 0.00 C ATOM 173 NE2 HIS A 12 -8.352 2.759 -4.938 1.00 0.00 N ATOM 0 H HIS A 12 -6.915 3.971 -8.470 1.00 0.00 H new ATOM 0 HA HIS A 12 -4.808 4.433 -6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.675 1.892 -8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.617 1.981 -6.697 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -6.824 0.265 -6.043 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.293 4.427 -5.885 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.781 0.713 -4.486 1.00 0.00 H new ATOM 182 N ASP A 13 -2.659 3.802 -7.954 1.00 0.00 N ATOM 183 CA ASP A 13 -1.449 3.962 -8.700 1.00 0.00 C ATOM 184 C ASP A 13 -1.222 2.967 -9.786 1.00 0.00 C ATOM 185 O ASP A 13 -1.652 1.816 -9.730 1.00 0.00 O ATOM 186 CB ASP A 13 -0.234 3.946 -7.757 1.00 0.00 C ATOM 187 CG ASP A 13 -0.010 5.307 -7.112 1.00 0.00 C ATOM 188 OD1 ASP A 13 -0.991 5.916 -6.606 1.00 0.00 O ATOM 189 OD2 ASP A 13 1.156 5.784 -7.121 1.00 0.00 O ATOM 0 H ASP A 13 -2.499 3.644 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.567 4.926 -9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.384 3.195 -6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.657 3.655 -8.314 1.00 0.00 H new ATOM 194 N GLY A 14 -0.496 3.387 -10.838 1.00 0.00 N ATOM 195 CA GLY A 14 -0.231 2.589 -11.995 1.00 0.00 C ATOM 196 C GLY A 14 0.908 1.653 -11.783 1.00 0.00 C ATOM 197 O GLY A 14 0.945 0.551 -12.329 1.00 0.00 O ATOM 0 H GLY A 14 -0.078 4.316 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.124 2.020 -12.254 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.012 3.240 -12.841 1.00 0.00 H new ATOM 201 N TYR A 15 1.889 2.059 -10.958 1.00 0.00 N ATOM 202 CA TYR A 15 3.037 1.276 -10.618 1.00 0.00 C ATOM 203 C TYR A 15 2.741 0.213 -9.615 1.00 0.00 C ATOM 204 O TYR A 15 3.433 -0.799 -9.527 1.00 0.00 O ATOM 205 CB TYR A 15 4.127 2.221 -10.084 1.00 0.00 C ATOM 206 CG TYR A 15 5.485 1.686 -10.387 1.00 0.00 C ATOM 207 CD1 TYR A 15 5.987 1.827 -11.659 1.00 0.00 C ATOM 208 CD2 TYR A 15 6.235 1.044 -9.429 1.00 0.00 C ATOM 209 CE1 TYR A 15 7.234 1.339 -11.973 1.00 0.00 C ATOM 210 CE2 TYR A 15 7.478 0.550 -9.743 1.00 0.00 C ATOM 211 CZ TYR A 15 7.985 0.706 -11.011 1.00 0.00 C ATOM 212 OH TYR A 15 9.271 0.221 -11.333 1.00 0.00 O ATOM 0 H TYR A 15 1.882 2.974 -10.507 1.00 0.00 H new ATOM 0 HA TYR A 15 3.373 0.760 -11.517 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.011 3.208 -10.533 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.012 2.345 -9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.399 2.324 -12.416 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.846 0.928 -8.428 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.623 1.453 -12.974 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.059 0.037 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 15 9.670 -0.199 -10.542 1.00 0.00 H new ATOM 222 N CYS A 16 1.673 0.395 -8.818 1.00 0.00 N ATOM 223 CA CYS A 16 1.287 -0.512 -7.783 1.00 0.00 C ATOM 224 C CYS A 16 0.356 -1.550 -8.307 1.00 0.00 C ATOM 225 O CYS A 16 -0.672 -1.253 -8.914 1.00 0.00 O ATOM 226 CB CYS A 16 0.644 0.229 -6.598 1.00 0.00 C ATOM 227 SG CYS A 16 1.781 1.440 -5.866 1.00 0.00 S ATOM 0 H CYS A 16 1.056 1.203 -8.898 1.00 0.00 H new ATOM 0 HA CYS A 16 2.192 -1.003 -7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.261 0.736 -6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.342 -0.492 -5.838 1.00 0.00 H new ATOM 232 N LEU A 17 0.686 -2.840 -8.115 1.00 0.00 N ATOM 233 CA LEU A 17 -0.125 -3.956 -8.489 1.00 0.00 C ATOM 234 C LEU A 17 -0.491 -4.715 -7.259 1.00 0.00 C ATOM 235 O LEU A 17 0.082 -4.496 -6.193 1.00 0.00 O ATOM 236 CB LEU A 17 0.535 -4.870 -9.534 1.00 0.00 C ATOM 237 CG LEU A 17 1.953 -5.357 -9.189 1.00 0.00 C ATOM 238 CD1 LEU A 17 2.132 -6.828 -9.604 1.00 0.00 C ATOM 239 CD2 LEU A 17 3.023 -4.478 -9.856 1.00 0.00 C ATOM 0 H LEU A 17 1.564 -3.118 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.022 -3.571 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.103 -5.741 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.574 -4.337 -10.484 1.00 0.00 H new ATOM 0 HG LEU A 17 2.080 -5.278 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.140 -7.157 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.407 -7.446 -9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.976 -6.925 -10.678 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.014 -4.848 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.899 -4.512 -10.938 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.916 -3.450 -9.511 1.00 0.00 H new ATOM 251 N HIS A 18 -1.506 -5.594 -7.337 1.00 0.00 N ATOM 252 CA HIS A 18 -2.036 -6.349 -6.244 1.00 0.00 C ATOM 253 C HIS A 18 -2.813 -5.518 -5.282 1.00 0.00 C ATOM 254 O HIS A 18 -3.060 -5.923 -4.147 1.00 0.00 O ATOM 255 CB HIS A 18 -0.948 -7.198 -5.566 1.00 0.00 C ATOM 256 CG HIS A 18 -1.366 -8.459 -4.870 1.00 0.00 C ATOM 257 ND1 HIS A 18 -2.186 -8.471 -3.772 1.00 0.00 N ATOM 258 CD2 HIS A 18 -0.914 -9.732 -5.028 1.00 0.00 C ATOM 259 CE1 HIS A 18 -2.231 -9.694 -3.276 1.00 0.00 C ATOM 260 NE2 HIS A 18 -1.465 -10.474 -4.017 1.00 0.00 N ATOM 0 H HIS A 18 -1.985 -5.789 -8.216 1.00 0.00 H new ATOM 0 HA HIS A 18 -2.762 -7.045 -6.665 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.212 -7.464 -6.325 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.440 -6.568 -4.836 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -2.683 -7.663 -3.397 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.249 -10.089 -5.801 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.798 -10.004 -2.411 1.00 0.00 H new ATOM 269 N ASP A 19 -3.253 -4.324 -5.720 1.00 0.00 N ATOM 270 CA ASP A 19 -3.932 -3.285 -5.013 1.00 0.00 C ATOM 271 C ASP A 19 -3.572 -3.118 -3.576 1.00 0.00 C ATOM 272 O ASP A 19 -4.326 -3.462 -2.666 1.00 0.00 O ATOM 273 CB ASP A 19 -5.442 -3.358 -5.296 1.00 0.00 C ATOM 274 CG ASP A 19 -6.157 -2.021 -5.149 1.00 0.00 C ATOM 275 OD1 ASP A 19 -6.340 -1.543 -3.998 1.00 0.00 O ATOM 276 OD2 ASP A 19 -6.545 -1.423 -6.188 1.00 0.00 O ATOM 0 H ASP A 19 -3.112 -4.060 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.556 -2.345 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.595 -3.733 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.896 -4.079 -4.617 1.00 0.00 H new ATOM 281 N GLY A 20 -2.366 -2.590 -3.300 1.00 0.00 N ATOM 282 CA GLY A 20 -1.896 -2.330 -1.976 1.00 0.00 C ATOM 283 C GLY A 20 -2.505 -1.106 -1.382 1.00 0.00 C ATOM 284 O GLY A 20 -2.910 -0.181 -2.085 1.00 0.00 O ATOM 0 H GLY A 20 -1.695 -2.335 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.119 -3.187 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.812 -2.220 -1.994 1.00 0.00 H new ATOM 288 N VAL A 21 -2.592 -1.043 -0.041 1.00 0.00 N ATOM 289 CA VAL A 21 -3.272 0.005 0.653 1.00 0.00 C ATOM 290 C VAL A 21 -2.416 1.222 0.725 1.00 0.00 C ATOM 291 O VAL A 21 -1.406 1.278 1.425 1.00 0.00 O ATOM 292 CB VAL A 21 -3.736 -0.394 2.023 1.00 0.00 C ATOM 293 CG1 VAL A 21 -4.648 0.704 2.597 1.00 0.00 C ATOM 294 CG2 VAL A 21 -4.521 -1.713 1.934 1.00 0.00 C ATOM 0 H VAL A 21 -2.178 -1.741 0.577 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.170 0.226 0.076 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.872 -0.527 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.985 0.414 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.094 1.641 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.512 0.837 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.858 -2.003 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.385 -1.579 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.877 -2.493 1.527 1.00 0.00 H new ATOM 304 N CYS A 22 -2.782 2.267 -0.038 1.00 0.00 N ATOM 305 CA CYS A 22 -1.985 3.442 -0.219 1.00 0.00 C ATOM 306 C CYS A 22 -2.137 4.437 0.879 1.00 0.00 C ATOM 307 O CYS A 22 -3.082 4.399 1.665 1.00 0.00 O ATOM 308 CB CYS A 22 -2.260 4.045 -1.607 1.00 0.00 C ATOM 309 SG CYS A 22 -4.004 4.480 -1.863 1.00 0.00 S ATOM 0 H CYS A 22 -3.665 2.296 -0.548 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.938 3.143 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.647 4.937 -1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.953 3.333 -2.373 1.00 0.00 H new ATOM 314 N MET A 23 -1.181 5.374 1.013 1.00 0.00 N ATOM 315 CA MET A 23 -1.287 6.477 1.915 1.00 0.00 C ATOM 316 C MET A 23 -0.684 7.697 1.311 1.00 0.00 C ATOM 317 O MET A 23 0.202 7.610 0.463 1.00 0.00 O ATOM 318 CB MET A 23 -0.634 6.194 3.279 1.00 0.00 C ATOM 319 CG MET A 23 0.847 5.813 3.238 1.00 0.00 C ATOM 320 SD MET A 23 1.545 5.558 4.897 1.00 0.00 S ATOM 321 CE MET A 23 3.221 5.124 4.348 1.00 0.00 C ATOM 0 H MET A 23 -0.312 5.364 0.480 1.00 0.00 H new ATOM 0 HA MET A 23 -2.350 6.638 2.092 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.746 7.079 3.905 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.184 5.388 3.765 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.969 4.902 2.652 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.407 6.597 2.728 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.837 4.885 5.215 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.175 4.259 3.686 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.658 5.967 3.813 1.00 0.00 H new ATOM 331 N TYR A 24 -1.156 8.885 1.731 1.00 0.00 N ATOM 332 CA TYR A 24 -0.656 10.163 1.326 1.00 0.00 C ATOM 333 C TYR A 24 -0.303 10.918 2.561 1.00 0.00 C ATOM 334 O TYR A 24 -1.142 11.151 3.429 1.00 0.00 O ATOM 335 CB TYR A 24 -1.728 10.897 0.504 1.00 0.00 C ATOM 336 CG TYR A 24 -1.466 12.305 0.092 1.00 0.00 C ATOM 337 CD1 TYR A 24 -0.226 12.883 -0.053 1.00 0.00 C ATOM 338 CD2 TYR A 24 -2.582 13.056 -0.191 1.00 0.00 C ATOM 339 CE1 TYR A 24 -0.113 14.193 -0.455 1.00 0.00 C ATOM 340 CE2 TYR A 24 -2.476 14.369 -0.586 1.00 0.00 C ATOM 341 CZ TYR A 24 -1.233 14.941 -0.727 1.00 0.00 C ATOM 342 OH TYR A 24 -1.160 16.281 -1.159 1.00 0.00 O ATOM 0 H TYR A 24 -1.931 8.957 2.391 1.00 0.00 H new ATOM 0 HA TYR A 24 0.228 10.064 0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.909 10.315 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.653 10.887 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.663 12.305 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.560 12.607 -0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.866 14.638 -0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.365 14.949 -0.785 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.221 16.549 -1.236 1.00 0.00 H new ATOM 352 N ILE A 25 0.971 11.329 2.692 1.00 0.00 N ATOM 353 CA ILE A 25 1.474 12.076 3.802 1.00 0.00 C ATOM 354 C ILE A 25 1.998 13.383 3.312 1.00 0.00 C ATOM 355 O ILE A 25 3.013 13.463 2.623 1.00 0.00 O ATOM 356 CB ILE A 25 2.493 11.325 4.608 1.00 0.00 C ATOM 357 CG1 ILE A 25 3.489 10.484 3.792 1.00 0.00 C ATOM 358 CG2 ILE A 25 1.742 10.493 5.660 1.00 0.00 C ATOM 359 CD1 ILE A 25 3.049 9.065 3.437 1.00 0.00 C ATOM 0 H ILE A 25 1.684 11.131 1.990 1.00 0.00 H new ATOM 0 HA ILE A 25 0.649 12.254 4.492 1.00 0.00 H new ATOM 0 HB ILE A 25 3.142 12.058 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.707 11.016 2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.423 10.422 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.459 9.935 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.165 11.156 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.068 9.797 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.834 8.574 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.863 8.502 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.136 9.105 2.843 1.00 0.00 H new ATOM 371 N GLU A 26 1.306 14.482 3.660 1.00 0.00 N ATOM 372 CA GLU A 26 1.519 15.795 3.133 1.00 0.00 C ATOM 373 C GLU A 26 2.807 16.470 3.454 1.00 0.00 C ATOM 374 O GLU A 26 3.178 17.401 2.741 1.00 0.00 O ATOM 375 CB GLU A 26 0.361 16.758 3.450 1.00 0.00 C ATOM 376 CG GLU A 26 -0.687 16.785 2.335 1.00 0.00 C ATOM 377 CD GLU A 26 -1.730 17.870 2.567 1.00 0.00 C ATOM 378 OE1 GLU A 26 -2.373 17.880 3.650 1.00 0.00 O ATOM 379 OE2 GLU A 26 -1.888 18.758 1.687 1.00 0.00 O ATOM 0 H GLU A 26 0.554 14.453 4.349 1.00 0.00 H new ATOM 0 HA GLU A 26 1.568 15.577 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.113 16.459 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.756 17.763 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.195 16.953 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.179 15.814 2.275 1.00 0.00 H new ATOM 386 N ALA A 27 3.561 16.040 4.482 1.00 0.00 N ATOM 387 CA ALA A 27 4.760 16.664 4.948 1.00 0.00 C ATOM 388 C ALA A 27 5.745 17.066 3.905 1.00 0.00 C ATOM 389 O ALA A 27 6.216 18.202 3.860 1.00 0.00 O ATOM 390 CB ALA A 27 5.450 15.747 5.971 1.00 0.00 C ATOM 0 H ALA A 27 3.318 15.207 5.019 1.00 0.00 H new ATOM 0 HA ALA A 27 4.426 17.602 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.364 16.222 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.780 15.573 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.695 14.795 5.499 1.00 0.00 H new ATOM 396 N LEU A 28 6.075 16.146 2.981 1.00 0.00 N ATOM 397 CA LEU A 28 6.824 16.450 1.801 1.00 0.00 C ATOM 398 C LEU A 28 6.011 16.226 0.572 1.00 0.00 C ATOM 399 O LEU A 28 6.488 16.408 -0.547 1.00 0.00 O ATOM 400 CB LEU A 28 8.138 15.653 1.774 1.00 0.00 C ATOM 401 CG LEU A 28 9.073 16.072 2.921 1.00 0.00 C ATOM 402 CD1 LEU A 28 8.995 15.114 4.121 1.00 0.00 C ATOM 403 CD2 LEU A 28 10.516 16.217 2.407 1.00 0.00 C ATOM 0 H LEU A 28 5.814 15.163 3.057 1.00 0.00 H new ATOM 0 HA LEU A 28 7.081 17.509 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.921 14.588 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.640 15.808 0.819 1.00 0.00 H new ATOM 0 HG LEU A 28 8.735 17.043 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.674 15.454 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.976 15.097 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.280 14.111 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.167 16.514 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.855 15.264 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.549 16.976 1.626 1.00 0.00 H new ATOM 415 N ASP A 29 4.740 15.821 0.741 1.00 0.00 N ATOM 416 CA ASP A 29 3.781 15.481 -0.264 1.00 0.00 C ATOM 417 C ASP A 29 4.108 14.191 -0.935 1.00 0.00 C ATOM 418 O ASP A 29 4.185 14.081 -2.157 1.00 0.00 O ATOM 419 CB ASP A 29 3.497 16.657 -1.214 1.00 0.00 C ATOM 420 CG ASP A 29 2.133 16.571 -1.882 1.00 0.00 C ATOM 421 OD1 ASP A 29 1.953 15.791 -2.856 1.00 0.00 O ATOM 422 OD2 ASP A 29 1.205 17.299 -1.437 1.00 0.00 O ATOM 0 H ASP A 29 4.347 15.723 1.677 1.00 0.00 H new ATOM 0 HA ASP A 29 2.827 15.296 0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.563 17.591 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.269 16.690 -1.982 1.00 0.00 H new ATOM 427 N LYS A 30 4.346 13.134 -0.137 1.00 0.00 N ATOM 428 CA LYS A 30 4.759 11.848 -0.605 1.00 0.00 C ATOM 429 C LYS A 30 3.769 10.790 -0.257 1.00 0.00 C ATOM 430 O LYS A 30 2.834 10.995 0.518 1.00 0.00 O ATOM 431 CB LYS A 30 6.155 11.474 -0.079 1.00 0.00 C ATOM 432 CG LYS A 30 7.251 12.493 -0.399 1.00 0.00 C ATOM 433 CD LYS A 30 7.378 12.758 -1.901 1.00 0.00 C ATOM 434 CE LYS A 30 8.360 13.864 -2.290 1.00 0.00 C ATOM 435 NZ LYS A 30 8.250 14.100 -3.747 1.00 0.00 N ATOM 0 H LYS A 30 4.246 13.178 0.877 1.00 0.00 H new ATOM 0 HA LYS A 30 4.814 11.912 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.099 11.347 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.440 10.509 -0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.035 13.429 0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.204 12.131 -0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.685 11.834 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.394 13.015 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.137 14.779 -1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.378 13.575 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.913 14.851 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.481 13.225 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.279 14.391 -3.979 1.00 0.00 H new ATOM 449 N TYR A 31 3.924 9.610 -0.882 1.00 0.00 N ATOM 450 CA TYR A 31 2.933 8.579 -0.877 1.00 0.00 C ATOM 451 C TYR A 31 3.608 7.276 -0.621 1.00 0.00 C ATOM 452 O TYR A 31 4.836 7.211 -0.637 1.00 0.00 O ATOM 453 CB TYR A 31 2.172 8.463 -2.208 1.00 0.00 C ATOM 454 CG TYR A 31 2.036 9.783 -2.887 1.00 0.00 C ATOM 455 CD1 TYR A 31 1.054 10.672 -2.519 1.00 0.00 C ATOM 456 CD2 TYR A 31 2.972 10.156 -3.823 1.00 0.00 C ATOM 457 CE1 TYR A 31 1.039 11.944 -3.043 1.00 0.00 C ATOM 458 CE2 TYR A 31 2.962 11.425 -4.350 1.00 0.00 C ATOM 459 CZ TYR A 31 2.009 12.327 -3.939 1.00 0.00 C ATOM 460 OH TYR A 31 2.044 13.652 -4.420 1.00 0.00 O ATOM 0 H TYR A 31 4.764 9.365 -1.407 1.00 0.00 H new ATOM 0 HA TYR A 31 2.210 8.834 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.695 7.768 -2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.182 8.045 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.292 10.371 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.720 9.447 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.267 12.640 -2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.700 11.713 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 31 2.238 14.264 -3.679 1.00 0.00 H new ATOM 470 N ALA A 32 2.833 6.194 -0.421 1.00 0.00 N ATOM 471 CA ALA A 32 3.347 4.864 -0.533 1.00 0.00 C ATOM 472 C ALA A 32 2.252 3.858 -0.603 1.00 0.00 C ATOM 473 O ALA A 32 1.241 3.978 0.089 1.00 0.00 O ATOM 474 CB ALA A 32 4.261 4.475 0.641 1.00 0.00 C ATOM 0 H ALA A 32 1.843 6.242 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 32 3.928 4.863 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.620 3.456 0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.111 5.157 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.701 4.537 1.574 1.00 0.00 H new ATOM 480 N CYS A 33 2.418 2.801 -1.419 1.00 0.00 N ATOM 481 CA CYS A 33 1.565 1.655 -1.472 1.00 0.00 C ATOM 482 C CYS A 33 2.019 0.620 -0.500 1.00 0.00 C ATOM 483 O CYS A 33 3.068 0.004 -0.679 1.00 0.00 O ATOM 484 CB CYS A 33 1.558 1.013 -2.870 1.00 0.00 C ATOM 485 SG CYS A 33 0.888 2.095 -4.165 1.00 0.00 S ATOM 0 H CYS A 33 3.193 2.744 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 33 0.561 2.002 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.577 0.730 -3.136 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.971 0.095 -2.836 1.00 0.00 H new ATOM 490 N ASN A 34 1.257 0.368 0.579 1.00 0.00 N ATOM 491 CA ASN A 34 1.637 -0.575 1.586 1.00 0.00 C ATOM 492 C ASN A 34 1.102 -1.941 1.326 1.00 0.00 C ATOM 493 O ASN A 34 -0.004 -2.144 0.828 1.00 0.00 O ATOM 494 CB ASN A 34 1.217 -0.128 2.997 1.00 0.00 C ATOM 495 CG ASN A 34 1.924 1.167 3.369 1.00 0.00 C ATOM 496 OD1 ASN A 34 3.145 1.280 3.263 1.00 0.00 O ATOM 497 ND2 ASN A 34 1.153 2.176 3.855 1.00 0.00 N ATOM 0 H ASN A 34 0.363 0.826 0.756 1.00 0.00 H new ATOM 0 HA ASN A 34 2.725 -0.615 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.137 0.015 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.462 -0.905 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.584 3.054 4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.143 2.055 3.932 1.00 0.00 H new ATOM 504 N CYS A 35 1.893 -2.968 1.688 1.00 0.00 N ATOM 505 CA CYS A 35 1.647 -4.343 1.381 1.00 0.00 C ATOM 506 C CYS A 35 1.146 -5.071 2.581 1.00 0.00 C ATOM 507 O CYS A 35 0.997 -4.520 3.670 1.00 0.00 O ATOM 508 CB CYS A 35 2.913 -5.029 0.842 1.00 0.00 C ATOM 509 SG CYS A 35 3.461 -4.262 -0.711 1.00 0.00 S ATOM 0 H CYS A 35 2.750 -2.831 2.224 1.00 0.00 H new ATOM 0 HA CYS A 35 0.882 -4.374 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.709 -4.965 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.715 -6.088 0.678 1.00 0.00 H new ATOM 514 N VAL A 36 0.819 -6.362 2.384 1.00 0.00 N ATOM 515 CA VAL A 36 0.339 -7.292 3.358 1.00 0.00 C ATOM 516 C VAL A 36 1.226 -7.441 4.547 1.00 0.00 C ATOM 517 O VAL A 36 2.430 -7.196 4.482 1.00 0.00 O ATOM 518 CB VAL A 36 0.105 -8.649 2.763 1.00 0.00 C ATOM 519 CG1 VAL A 36 -1.273 -9.174 3.201 1.00 0.00 C ATOM 520 CG2 VAL A 36 0.204 -8.639 1.228 1.00 0.00 C ATOM 0 H VAL A 36 0.899 -6.789 1.461 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.603 -6.862 3.699 1.00 0.00 H new ATOM 0 HB VAL A 36 0.889 -9.311 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.441 -10.160 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.307 -9.245 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.049 -8.490 2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.027 -9.644 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.543 -7.959 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.198 -8.307 0.930 1.00 0.00 H new ATOM 530 N VAL A 37 0.696 -7.893 5.696 1.00 0.00 N ATOM 531 CA VAL A 37 1.488 -8.476 6.735 1.00 0.00 C ATOM 532 C VAL A 37 1.664 -9.932 6.480 1.00 0.00 C ATOM 533 O VAL A 37 0.710 -10.644 6.168 1.00 0.00 O ATOM 534 CB VAL A 37 0.992 -8.155 8.114 1.00 0.00 C ATOM 535 CG1 VAL A 37 -0.365 -8.805 8.435 1.00 0.00 C ATOM 536 CG2 VAL A 37 2.040 -8.560 9.164 1.00 0.00 C ATOM 0 H VAL A 37 -0.301 -7.853 5.909 1.00 0.00 H new ATOM 0 HA VAL A 37 2.476 -8.016 6.707 1.00 0.00 H new ATOM 0 HB VAL A 37 0.836 -7.077 8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.668 -8.534 9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.114 -8.453 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.276 -9.889 8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.668 -8.322 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.230 -9.631 9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.966 -8.015 8.983 1.00 0.00 H new ATOM 546 N GLY A 38 2.909 -10.439 6.533 1.00 0.00 N ATOM 547 CA GLY A 38 3.216 -11.806 6.246 1.00 0.00 C ATOM 548 C GLY A 38 3.479 -12.002 4.793 1.00 0.00 C ATOM 549 O GLY A 38 2.727 -12.663 4.078 1.00 0.00 O ATOM 0 H GLY A 38 3.726 -9.882 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.089 -12.115 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.387 -12.441 6.558 1.00 0.00 H new ATOM 553 N TYR A 39 4.520 -11.313 4.290 1.00 0.00 N ATOM 554 CA TYR A 39 4.552 -10.910 2.919 1.00 0.00 C ATOM 555 C TYR A 39 5.935 -10.997 2.371 1.00 0.00 C ATOM 556 O TYR A 39 6.899 -10.635 3.044 1.00 0.00 O ATOM 557 CB TYR A 39 3.940 -9.500 2.987 1.00 0.00 C ATOM 558 CG TYR A 39 4.427 -8.562 1.937 1.00 0.00 C ATOM 559 CD1 TYR A 39 4.066 -8.803 0.632 1.00 0.00 C ATOM 560 CD2 TYR A 39 5.358 -7.601 2.253 1.00 0.00 C ATOM 561 CE1 TYR A 39 4.688 -8.100 -0.373 1.00 0.00 C ATOM 562 CE2 TYR A 39 5.958 -6.887 1.243 1.00 0.00 C ATOM 563 CZ TYR A 39 5.643 -7.160 -0.068 1.00 0.00 C ATOM 564 OH TYR A 39 6.388 -6.502 -1.069 1.00 0.00 O ATOM 0 H TYR A 39 5.338 -11.036 4.833 1.00 0.00 H new ATOM 0 HA TYR A 39 3.997 -11.540 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.856 -9.584 2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.154 -9.072 3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.305 -9.534 0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.615 -7.409 3.284 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.426 -8.287 -1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.675 -6.114 1.478 1.00 0.00 H new ATOM 0 HH TYR A 39 6.449 -7.075 -1.861 1.00 0.00 H new ATOM 574 N ILE A 40 6.092 -11.497 1.133 1.00 0.00 N ATOM 575 CA ILE A 40 7.311 -11.411 0.389 1.00 0.00 C ATOM 576 C ILE A 40 6.996 -10.948 -0.992 1.00 0.00 C ATOM 577 O ILE A 40 5.838 -10.833 -1.391 1.00 0.00 O ATOM 578 CB ILE A 40 8.122 -12.673 0.353 1.00 0.00 C ATOM 579 CG1 ILE A 40 7.263 -13.947 0.292 1.00 0.00 C ATOM 580 CG2 ILE A 40 9.038 -12.694 1.588 1.00 0.00 C ATOM 581 CD1 ILE A 40 8.013 -15.149 -0.278 1.00 0.00 C ATOM 0 H ILE A 40 5.345 -11.978 0.632 1.00 0.00 H new ATOM 0 HA ILE A 40 7.945 -10.695 0.911 1.00 0.00 H new ATOM 0 HB ILE A 40 8.709 -12.672 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.910 -14.189 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.381 -13.754 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.637 -13.605 1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.697 -11.826 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.430 -12.666 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.352 -16.016 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.342 -14.925 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.880 -15.366 0.346 1.00 0.00 H new ATOM 593 N GLY A 41 8.004 -10.662 -1.836 1.00 0.00 N ATOM 594 CA GLY A 41 7.795 -10.387 -3.224 1.00 0.00 C ATOM 595 C GLY A 41 7.801 -8.921 -3.491 1.00 0.00 C ATOM 596 O GLY A 41 6.923 -8.174 -3.063 1.00 0.00 O ATOM 0 H GLY A 41 8.982 -10.621 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.574 -10.870 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.844 -10.813 -3.542 1.00 0.00 H new ATOM 600 N GLU A 42 8.827 -8.467 -4.235 1.00 0.00 N ATOM 601 CA GLU A 42 9.301 -7.119 -4.274 1.00 0.00 C ATOM 602 C GLU A 42 8.292 -6.118 -4.721 1.00 0.00 C ATOM 603 O GLU A 42 8.144 -5.045 -4.136 1.00 0.00 O ATOM 604 CB GLU A 42 10.548 -7.038 -5.172 1.00 0.00 C ATOM 605 CG GLU A 42 11.642 -8.052 -4.830 1.00 0.00 C ATOM 606 CD GLU A 42 12.083 -7.981 -3.375 1.00 0.00 C ATOM 607 OE1 GLU A 42 12.507 -6.880 -2.930 1.00 0.00 O ATOM 608 OE2 GLU A 42 12.025 -9.017 -2.662 1.00 0.00 O ATOM 0 H GLU A 42 9.359 -9.084 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 42 9.540 -6.856 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.244 -7.186 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.966 -6.034 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.279 -9.057 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.504 -7.880 -5.474 1.00 0.00 H new ATOM 615 N ARG A 43 7.501 -6.460 -5.753 1.00 0.00 N ATOM 616 CA ARG A 43 6.485 -5.606 -6.285 1.00 0.00 C ATOM 617 C ARG A 43 5.143 -5.883 -5.698 1.00 0.00 C ATOM 618 O ARG A 43 4.113 -5.797 -6.362 1.00 0.00 O ATOM 619 CB ARG A 43 6.480 -5.669 -7.822 1.00 0.00 C ATOM 620 CG ARG A 43 6.194 -7.025 -8.470 1.00 0.00 C ATOM 621 CD ARG A 43 6.288 -6.883 -9.989 1.00 0.00 C ATOM 622 NE ARG A 43 5.907 -8.165 -10.647 1.00 0.00 N ATOM 623 CZ ARG A 43 6.780 -9.164 -10.965 1.00 0.00 C ATOM 624 NH1 ARG A 43 8.107 -9.117 -10.652 1.00 0.00 N ATOM 625 NH2 ARG A 43 6.323 -10.243 -11.665 1.00 0.00 N ATOM 0 H ARG A 43 7.570 -7.358 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 43 6.725 -4.583 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.738 -4.959 -8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.451 -5.324 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.908 -7.769 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.202 -7.376 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.632 -6.082 -10.329 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.303 -6.606 -10.274 1.00 0.00 H new ATOM 0 HE ARG A 43 4.923 -8.305 -10.876 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.486 -8.309 -10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.720 -9.890 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.343 -10.293 -11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.962 -10.999 -11.911 1.00 0.00 H new ATOM 639 N CYS A 44 5.121 -6.188 -4.387 1.00 0.00 N ATOM 640 CA CYS A 44 3.965 -6.380 -3.568 1.00 0.00 C ATOM 641 C CYS A 44 3.235 -7.643 -3.874 1.00 0.00 C ATOM 642 O CYS A 44 2.017 -7.755 -3.747 1.00 0.00 O ATOM 643 CB CYS A 44 3.044 -5.148 -3.579 1.00 0.00 C ATOM 644 SG CYS A 44 2.078 -4.863 -2.069 1.00 0.00 S ATOM 0 H CYS A 44 5.985 -6.310 -3.859 1.00 0.00 H new ATOM 0 HA CYS A 44 4.329 -6.494 -2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.654 -4.265 -3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.353 -5.243 -4.416 1.00 0.00 H new ATOM 649 N GLN A 45 3.985 -8.676 -4.298 1.00 0.00 N ATOM 650 CA GLN A 45 3.437 -9.799 -4.992 1.00 0.00 C ATOM 651 C GLN A 45 3.013 -10.985 -4.196 1.00 0.00 C ATOM 652 O GLN A 45 1.889 -11.460 -4.351 1.00 0.00 O ATOM 653 CB GLN A 45 4.465 -10.208 -6.061 1.00 0.00 C ATOM 654 CG GLN A 45 3.923 -11.053 -7.215 1.00 0.00 C ATOM 655 CD GLN A 45 3.038 -10.249 -8.157 1.00 0.00 C ATOM 656 OE1 GLN A 45 2.065 -9.597 -7.782 1.00 0.00 O ATOM 657 NE2 GLN A 45 3.377 -10.303 -9.473 1.00 0.00 N ATOM 0 H GLN A 45 4.993 -8.732 -4.155 1.00 0.00 H new ATOM 0 HA GLN A 45 2.484 -9.456 -5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.910 -9.303 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.267 -10.763 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.757 -11.475 -7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.354 -11.891 -6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.187 -10.848 -9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.821 -9.799 -10.164 1.00 0.00 H new ATOM 666 N TYR A 46 3.854 -11.551 -3.313 1.00 0.00 N ATOM 667 CA TYR A 46 3.643 -12.846 -2.742 1.00 0.00 C ATOM 668 C TYR A 46 3.253 -12.776 -1.306 1.00 0.00 C ATOM 669 O TYR A 46 3.365 -11.749 -0.639 1.00 0.00 O ATOM 670 CB TYR A 46 4.909 -13.716 -2.817 1.00 0.00 C ATOM 671 CG TYR A 46 5.635 -13.771 -4.116 1.00 0.00 C ATOM 672 CD1 TYR A 46 5.021 -14.022 -5.320 1.00 0.00 C ATOM 673 CD2 TYR A 46 7.006 -13.669 -4.085 1.00 0.00 C ATOM 674 CE1 TYR A 46 5.764 -14.180 -6.466 1.00 0.00 C ATOM 675 CE2 TYR A 46 7.757 -13.810 -5.228 1.00 0.00 C ATOM 676 CZ TYR A 46 7.135 -14.083 -6.422 1.00 0.00 C ATOM 677 OH TYR A 46 7.917 -14.293 -7.579 1.00 0.00 O ATOM 0 H TYR A 46 4.706 -11.095 -2.986 1.00 0.00 H new ATOM 0 HA TYR A 46 2.837 -13.285 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.606 -13.360 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.633 -14.734 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.945 -14.096 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.502 -13.475 -3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.269 -14.381 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.831 -13.707 -5.187 1.00 0.00 H new ATOM 0 HH TYR A 46 8.865 -14.182 -7.358 1.00 0.00 H new ATOM 687 N ARG A 47 2.766 -13.887 -0.724 1.00 0.00 N ATOM 688 CA ARG A 47 2.364 -13.969 0.646 1.00 0.00 C ATOM 689 C ARG A 47 3.101 -15.077 1.317 1.00 0.00 C ATOM 690 O ARG A 47 3.478 -16.061 0.684 1.00 0.00 O ATOM 691 CB ARG A 47 0.852 -14.240 0.736 1.00 0.00 C ATOM 692 CG ARG A 47 -0.016 -13.120 0.160 1.00 0.00 C ATOM 693 CD ARG A 47 -1.462 -13.515 -0.146 1.00 0.00 C ATOM 694 NE ARG A 47 -2.192 -13.702 1.139 1.00 0.00 N ATOM 695 CZ ARG A 47 -2.955 -14.783 1.474 1.00 0.00 C ATOM 696 NH1 ARG A 47 -3.160 -15.864 0.667 1.00 0.00 N ATOM 697 NH2 ARG A 47 -3.590 -14.790 2.682 1.00 0.00 N ATOM 0 H ARG A 47 2.648 -14.765 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 47 2.591 -13.024 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.627 -15.167 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.582 -14.394 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.024 -12.288 0.864 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.447 -12.757 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.945 -12.743 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.486 -14.435 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.115 -12.956 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.729 -15.900 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.745 -16.636 0.987 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.490 -13.997 3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.165 -15.588 2.951 1.00 0.00 H new ATOM 711 N ASP A 48 3.347 -14.998 2.637 1.00 0.00 N ATOM 712 CA ASP A 48 3.824 -16.096 3.418 1.00 0.00 C ATOM 713 C ASP A 48 2.765 -17.120 3.644 1.00 0.00 C ATOM 714 O ASP A 48 2.065 -17.110 4.656 1.00 0.00 O ATOM 715 CB ASP A 48 4.303 -15.657 4.812 1.00 0.00 C ATOM 716 CG ASP A 48 5.752 -15.193 4.857 1.00 0.00 C ATOM 717 OD1 ASP A 48 6.638 -15.997 4.461 1.00 0.00 O ATOM 718 OD2 ASP A 48 6.029 -14.080 5.378 1.00 0.00 O ATOM 0 H ASP A 48 3.210 -14.144 3.177 1.00 0.00 H new ATOM 0 HA ASP A 48 4.651 -16.510 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.663 -14.848 5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.178 -16.489 5.505 1.00 0.00 H new ATOM 723 N LEU A 49 2.608 -18.116 2.755 1.00 0.00 N ATOM 724 CA LEU A 49 1.560 -19.085 2.831 1.00 0.00 C ATOM 725 C LEU A 49 1.813 -20.210 3.776 1.00 0.00 C ATOM 726 O LEU A 49 1.190 -21.268 3.700 1.00 0.00 O ATOM 727 CB LEU A 49 1.231 -19.657 1.442 1.00 0.00 C ATOM 728 CG LEU A 49 0.783 -18.619 0.399 1.00 0.00 C ATOM 729 CD1 LEU A 49 0.471 -19.315 -0.936 1.00 0.00 C ATOM 730 CD2 LEU A 49 -0.451 -17.820 0.852 1.00 0.00 C ATOM 0 H LEU A 49 3.230 -18.251 1.958 1.00 0.00 H new ATOM 0 HA LEU A 49 0.710 -18.531 3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.111 -20.175 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.444 -20.403 1.550 1.00 0.00 H new ATOM 0 HG LEU A 49 1.608 -17.917 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.155 -18.572 -1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.364 -19.824 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.327 -20.043 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.724 -17.102 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.283 -18.502 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.221 -17.288 1.775 1.00 0.00 H new ATOM 742 N LYS A 50 2.729 -20.032 4.743 1.00 0.00 N ATOM 743 CA LYS A 50 3.161 -21.031 5.670 1.00 0.00 C ATOM 744 C LYS A 50 2.107 -21.382 6.662 1.00 0.00 C ATOM 745 O LYS A 50 1.757 -22.547 6.841 1.00 0.00 O ATOM 746 CB LYS A 50 4.448 -20.604 6.398 1.00 0.00 C ATOM 747 CG LYS A 50 5.712 -20.652 5.537 1.00 0.00 C ATOM 748 CD LYS A 50 5.910 -19.431 4.638 1.00 0.00 C ATOM 749 CE LYS A 50 7.272 -19.407 3.939 1.00 0.00 C ATOM 750 NZ LYS A 50 7.415 -20.565 3.028 1.00 0.00 N ATOM 0 H LYS A 50 3.196 -19.137 4.886 1.00 0.00 H new ATOM 0 HA LYS A 50 3.370 -21.923 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.318 -19.589 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.590 -21.249 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.579 -20.751 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.679 -21.546 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.123 -19.412 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.801 -18.527 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.381 -18.480 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.068 -19.423 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.331 -20.511 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.367 -21.447 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.647 -20.552 2.327 1.00 0.00 H new ATOM 764 N TRP A 51 1.548 -20.371 7.353 1.00 0.00 N ATOM 765 CA TRP A 51 0.502 -20.547 8.310 1.00 0.00 C ATOM 766 C TRP A 51 -0.858 -20.586 7.701 1.00 0.00 C ATOM 767 O TRP A 51 -1.752 -21.246 8.229 1.00 0.00 O ATOM 768 CB TRP A 51 0.573 -19.478 9.413 1.00 0.00 C ATOM 769 CG TRP A 51 0.585 -18.038 8.959 1.00 0.00 C ATOM 770 CD1 TRP A 51 -0.467 -17.207 8.702 1.00 0.00 C ATOM 771 CD2 TRP A 51 1.778 -17.254 8.766 1.00 0.00 C ATOM 772 NE1 TRP A 51 -0.012 -15.961 8.358 1.00 0.00 N ATOM 773 CE2 TRP A 51 1.363 -15.971 8.393 1.00 0.00 C ATOM 774 CE3 TRP A 51 3.106 -17.555 8.898 1.00 0.00 C ATOM 775 CZ2 TRP A 51 2.279 -14.983 8.157 1.00 0.00 C ATOM 776 CZ3 TRP A 51 4.017 -16.554 8.656 1.00 0.00 C ATOM 777 CH2 TRP A 51 3.612 -15.290 8.298 1.00 0.00 C ATOM 0 H TRP A 51 1.835 -19.399 7.241 1.00 0.00 H new ATOM 0 HA TRP A 51 0.668 -21.527 8.757 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.279 -19.618 10.079 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.472 -19.657 10.003 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.507 -17.491 8.761 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -0.595 -15.160 8.116 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.428 -18.546 9.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.965 -13.991 7.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.072 -16.765 8.749 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.354 -14.525 8.124 1.00 0.00 H new ATOM 788 N TRP A 52 -1.059 -19.890 6.568 1.00 0.00 N ATOM 789 CA TRP A 52 -2.293 -19.819 5.849 1.00 0.00 C ATOM 790 C TRP A 52 -2.777 -21.116 5.297 1.00 0.00 C ATOM 791 O TRP A 52 -3.965 -21.421 5.376 1.00 0.00 O ATOM 792 CB TRP A 52 -2.227 -18.813 4.687 1.00 0.00 C ATOM 793 CG TRP A 52 -2.162 -17.355 5.074 1.00 0.00 C ATOM 794 CD1 TRP A 52 -1.162 -16.451 4.863 1.00 0.00 C ATOM 795 CD2 TRP A 52 -3.270 -16.606 5.608 1.00 0.00 C ATOM 796 NE1 TRP A 52 -1.552 -15.201 5.269 1.00 0.00 N ATOM 797 CE2 TRP A 52 -2.848 -15.276 5.724 1.00 0.00 C ATOM 798 CE3 TRP A 52 -4.544 -16.971 5.949 1.00 0.00 C ATOM 799 CZ2 TRP A 52 -3.699 -14.306 6.176 1.00 0.00 C ATOM 800 CZ3 TRP A 52 -5.393 -15.987 6.397 1.00 0.00 C ATOM 801 CH2 TRP A 52 -4.981 -14.679 6.503 1.00 0.00 C ATOM 0 H TRP A 52 -0.317 -19.345 6.129 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.003 -19.494 6.610 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.352 -19.046 4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.102 -18.961 4.054 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.198 -16.687 4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.978 -14.358 5.239 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.871 -17.997 5.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -3.375 -13.280 6.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.405 -16.246 6.672 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -5.678 -13.931 6.850 1.00 0.00 H new ATOM 812 N GLU A 53 -1.887 -21.939 4.713 1.00 0.00 N ATOM 813 CA GLU A 53 -2.226 -23.201 4.130 1.00 0.00 C ATOM 814 C GLU A 53 -2.282 -24.265 5.171 1.00 0.00 C ATOM 815 O GLU A 53 -1.395 -25.097 5.350 1.00 0.00 O ATOM 816 CB GLU A 53 -1.318 -23.574 2.946 1.00 0.00 C ATOM 817 CG GLU A 53 -1.736 -24.878 2.263 1.00 0.00 C ATOM 818 CD GLU A 53 -1.222 -25.039 0.840 1.00 0.00 C ATOM 819 OE1 GLU A 53 -1.791 -24.379 -0.069 1.00 0.00 O ATOM 820 OE2 GLU A 53 -0.326 -25.893 0.602 1.00 0.00 O ATOM 0 H GLU A 53 -0.894 -21.717 4.644 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.225 -23.106 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.333 -22.766 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.291 -23.667 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.380 -25.717 2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.824 -24.934 2.251 1.00 0.00 H new ATOM 827 N LEU A 54 -3.390 -24.227 5.935 1.00 0.00 N ATOM 828 CA LEU A 54 -3.766 -25.151 6.958 1.00 0.00 C ATOM 829 C LEU A 54 -4.663 -26.230 6.368 1.00 0.00 C ATOM 830 O LEU A 54 -5.691 -25.897 5.718 1.00 0.00 O ATOM 831 CB LEU A 54 -4.448 -24.351 8.081 1.00 0.00 C ATOM 832 CG LEU A 54 -4.674 -25.044 9.436 1.00 0.00 C ATOM 833 CD1 LEU A 54 -5.907 -25.964 9.446 1.00 0.00 C ATOM 834 CD2 LEU A 54 -3.432 -25.787 9.953 1.00 0.00 C ATOM 835 OXT LEU A 54 -4.340 -27.442 6.486 1.00 0.00 O ATOM 0 H LEU A 54 -4.080 -23.484 5.825 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.901 -25.665 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.852 -23.456 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.418 -24.019 7.711 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.873 -24.228 10.131 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.011 -26.422 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.799 -25.379 9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.786 -26.743 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.660 -26.253 10.912 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.143 -26.555 9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.611 -25.081 10.079 1.00 0.00 H new TER 847 LEU A 54