USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 578 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 5 ASN :FLIP amide:sc= -6.44! C(o=-30!,f=-21!) USER MOD Set 1.2: A 42 ASN : amide:sc= -14.7! C(o=-21!,f=-22!) USER MOD Single : A 6 THR OG1 : rot -62:sc= 0.226 USER MOD Single : A 11 MET CE :methyl -138:sc= -0.151 (180deg=-2.32!) USER MOD Single : A 13 ASN : amide:sc= -16.3! C(o=-16!,f=-19!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0.508 USER MOD Single : A 18 LYS NZ :NH3+ -128:sc= 1.18 (180deg=0.981) USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= -9.65! (180deg=-11.4!) USER MOD Single : A 28 THR OG1 : rot 44:sc= -0.119 USER MOD Single : A 29 ASN : amide:sc= 0.441 K(o=0.44,f=-0.95) USER MOD Single : A 39 MET CE :methyl -170:sc= -1.91 (180deg=-2.68) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -10.3! C(o=-16!,f=-10!) USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= -0.0614 (180deg=-0.926) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.51! C(o=-3.7!,f=-1.5!) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 1.03 (180deg=0.7) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 63 N ASP A 4 -2.094 7.251 3.547 1.00 0.00 N ATOM 64 CA ASP A 4 -3.024 7.531 2.471 1.00 0.00 C ATOM 65 C ASP A 4 -2.836 8.962 1.988 1.00 0.00 C ATOM 66 O ASP A 4 -2.788 9.889 2.793 1.00 0.00 O ATOM 67 CB ASP A 4 -4.451 7.308 2.962 1.00 0.00 C ATOM 68 CG ASP A 4 -4.578 7.654 4.439 1.00 0.00 C ATOM 69 OD1 ASP A 4 -4.122 8.759 4.805 1.00 0.00 O ATOM 70 OD2 ASP A 4 -5.129 6.806 5.175 1.00 0.00 O ATOM 0 HA ASP A 4 -2.833 6.858 1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.140 7.921 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.736 6.268 2.802 1.00 0.00 H new ATOM 75 N ASN A 5 -2.731 9.140 0.669 1.00 0.00 N ATOM 76 CA ASN A 5 -2.550 10.456 0.089 1.00 0.00 C ATOM 77 C ASN A 5 -1.563 11.260 0.924 1.00 0.00 C ATOM 78 O ASN A 5 -1.610 12.488 0.936 1.00 0.00 O ATOM 79 CB ASN A 5 -3.898 11.166 0.013 1.00 0.00 C ATOM 80 CG ASN A 5 -5.020 10.174 -0.258 1.00 0.00 C ATOM 81 OD1 ASN A 5 -5.128 9.146 0.587 1.00 0.00 O flip ATOM 82 ND2 ASN A 5 -5.774 10.333 -1.216 1.00 0.00 N flip ATOM 0 H ASN A 5 -2.769 8.382 -0.012 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.146 10.360 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.090 11.692 0.948 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.874 11.918 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.651 11.135 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.522 9.663 -1.393 1.00 0.00 H new ATOM 89 N THR A 6 -0.667 10.561 1.625 1.00 0.00 N ATOM 90 CA THR A 6 0.324 11.213 2.457 1.00 0.00 C ATOM 91 C THR A 6 1.281 12.018 1.589 1.00 0.00 C ATOM 92 O THR A 6 2.459 11.684 1.482 1.00 0.00 O ATOM 93 CB THR A 6 1.081 10.162 3.264 1.00 0.00 C ATOM 94 OG1 THR A 6 2.053 10.795 4.065 1.00 0.00 O ATOM 95 CG2 THR A 6 1.765 9.185 2.312 1.00 0.00 C ATOM 0 H THR A 6 -0.615 9.542 1.627 1.00 0.00 H new ATOM 0 HA THR A 6 -0.170 11.897 3.147 1.00 0.00 H new ATOM 0 HB THR A 6 0.382 9.620 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.698 11.259 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.306 8.434 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.014 8.695 1.692 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.464 9.727 1.675 1.00 0.00 H new ATOM 103 N CYS A 7 0.770 13.084 0.968 1.00 0.00 N ATOM 104 CA CYS A 7 1.577 13.932 0.114 1.00 0.00 C ATOM 105 C CYS A 7 2.142 15.090 0.924 1.00 0.00 C ATOM 106 O CYS A 7 1.401 15.785 1.617 1.00 0.00 O ATOM 107 CB CYS A 7 0.724 14.446 -1.042 1.00 0.00 C ATOM 108 SG CYS A 7 0.236 13.163 -2.223 1.00 0.00 S ATOM 0 H CYS A 7 -0.205 13.374 1.047 1.00 0.00 H new ATOM 0 HA CYS A 7 2.410 13.359 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.174 14.914 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.277 15.222 -1.572 1.00 0.00 H new ATOM 113 N ARG A 8 3.458 15.296 0.836 1.00 0.00 N ATOM 114 CA ARG A 8 4.114 16.366 1.560 1.00 0.00 C ATOM 115 C ARG A 8 4.796 17.309 0.580 1.00 0.00 C ATOM 116 O ARG A 8 5.439 18.274 0.987 1.00 0.00 O ATOM 117 CB ARG A 8 5.129 15.772 2.533 1.00 0.00 C ATOM 118 CG ARG A 8 4.852 16.295 3.940 1.00 0.00 C ATOM 119 CD ARG A 8 5.596 17.611 4.149 1.00 0.00 C ATOM 120 NE ARG A 8 4.800 18.543 4.948 1.00 0.00 N ATOM 121 CZ ARG A 8 5.142 18.907 6.192 1.00 0.00 C ATOM 122 NH1 ARG A 8 6.255 18.415 6.752 1.00 0.00 N ATOM 123 NH2 ARG A 8 4.371 19.764 6.875 1.00 0.00 N ATOM 0 H ARG A 8 4.085 14.729 0.266 1.00 0.00 H new ATOM 0 HA ARG A 8 3.376 16.934 2.126 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.068 14.684 2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.141 16.038 2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.781 16.444 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.171 15.563 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.547 17.420 4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.826 18.060 3.183 1.00 0.00 H new ATOM 0 HE ARG A 8 3.949 18.932 4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.842 17.763 6.232 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.515 18.692 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.524 20.139 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.631 20.041 7.822 1.00 0.00 H new ATOM 137 N GLY A 9 4.654 17.029 -0.717 1.00 0.00 N ATOM 138 CA GLY A 9 5.257 17.855 -1.745 1.00 0.00 C ATOM 139 C GLY A 9 4.186 18.397 -2.681 1.00 0.00 C ATOM 140 O GLY A 9 4.426 19.351 -3.418 1.00 0.00 O ATOM 0 H GLY A 9 4.124 16.233 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.800 18.681 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.983 17.271 -2.311 1.00 0.00 H new ATOM 144 N VAL A 10 3.000 17.784 -2.650 1.00 0.00 N ATOM 145 CA VAL A 10 1.899 18.205 -3.493 1.00 0.00 C ATOM 146 C VAL A 10 1.760 19.720 -3.440 1.00 0.00 C ATOM 147 O VAL A 10 1.143 20.320 -4.317 1.00 0.00 O ATOM 148 CB VAL A 10 0.614 17.527 -3.026 1.00 0.00 C ATOM 149 CG1 VAL A 10 0.315 17.939 -1.587 1.00 0.00 C ATOM 150 CG2 VAL A 10 -0.541 17.953 -3.927 1.00 0.00 C ATOM 0 H VAL A 10 2.786 16.992 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 10 2.093 17.914 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 10 0.735 16.445 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.603 17.455 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.140 17.636 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.194 19.021 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.459 17.469 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.662 19.035 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.328 17.659 -4.955 1.00 0.00 H new ATOM 160 N MET A 11 2.337 20.338 -2.406 1.00 0.00 N ATOM 161 CA MET A 11 2.272 21.777 -2.246 1.00 0.00 C ATOM 162 C MET A 11 3.127 22.455 -3.307 1.00 0.00 C ATOM 163 O MET A 11 2.808 23.552 -3.760 1.00 0.00 O ATOM 164 CB MET A 11 2.749 22.153 -0.846 1.00 0.00 C ATOM 165 CG MET A 11 4.230 21.814 -0.705 1.00 0.00 C ATOM 166 SD MET A 11 5.294 23.256 -0.453 1.00 0.00 S ATOM 167 CE MET A 11 6.645 22.819 -1.575 1.00 0.00 C ATOM 0 H MET A 11 2.853 19.855 -1.671 1.00 0.00 H new ATOM 0 HA MET A 11 1.243 22.114 -2.369 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.590 23.217 -0.670 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.169 21.615 -0.096 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.357 21.130 0.134 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.558 21.285 -1.600 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.600 23.051 -1.103 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.601 21.753 -1.800 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.549 23.389 -2.499 1.00 0.00 H new ATOM 177 N GLY A 12 4.219 21.798 -3.703 1.00 0.00 N ATOM 178 CA GLY A 12 5.112 22.341 -4.707 1.00 0.00 C ATOM 179 C GLY A 12 4.676 21.898 -6.096 1.00 0.00 C ATOM 180 O GLY A 12 4.491 22.725 -6.986 1.00 0.00 O ATOM 0 H GLY A 12 4.499 20.888 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.116 23.429 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.132 22.008 -4.515 1.00 0.00 H new ATOM 184 N ASN A 13 4.511 20.586 -6.280 1.00 0.00 N ATOM 185 CA ASN A 13 4.098 20.040 -7.557 1.00 0.00 C ATOM 186 C ASN A 13 2.977 20.887 -8.144 1.00 0.00 C ATOM 187 O ASN A 13 3.204 21.672 -9.062 1.00 0.00 O ATOM 188 CB ASN A 13 3.642 18.596 -7.367 1.00 0.00 C ATOM 189 CG ASN A 13 4.753 17.751 -6.762 1.00 0.00 C ATOM 190 OD1 ASN A 13 5.278 16.853 -7.416 1.00 0.00 O ATOM 191 ND2 ASN A 13 5.112 18.041 -5.509 1.00 0.00 N ATOM 0 H ASN A 13 4.660 19.887 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 13 4.938 20.055 -8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.766 18.569 -6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.342 18.176 -8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.852 17.507 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.646 18.797 -5.007 1.00 0.00 H new ATOM 198 N ARG A 14 1.765 20.725 -7.611 1.00 0.00 N ATOM 199 CA ARG A 14 0.615 21.471 -8.082 1.00 0.00 C ATOM 200 C ARG A 14 0.412 21.218 -9.569 1.00 0.00 C ATOM 201 O ARG A 14 -0.130 22.065 -10.277 1.00 0.00 O ATOM 202 CB ARG A 14 0.829 22.957 -7.811 1.00 0.00 C ATOM 203 CG ARG A 14 0.606 23.241 -6.328 1.00 0.00 C ATOM 204 CD ARG A 14 0.885 24.714 -6.044 1.00 0.00 C ATOM 205 NE ARG A 14 -0.312 25.527 -6.262 1.00 0.00 N ATOM 206 CZ ARG A 14 -0.417 26.793 -5.835 1.00 0.00 C ATOM 207 NH1 ARG A 14 0.602 27.365 -5.179 1.00 0.00 N ATOM 208 NH2 ARG A 14 -1.540 27.486 -6.063 1.00 0.00 N ATOM 0 H ARG A 14 1.562 20.078 -6.849 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.279 21.143 -7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.839 23.249 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.141 23.550 -8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.418 22.994 -6.050 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.261 22.613 -5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.226 24.831 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.690 25.066 -6.689 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.100 25.113 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.457 26.837 -5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.523 28.329 -4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.316 27.050 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.620 28.450 -5.738 1.00 0.00 H new ATOM 222 N ASP A 15 0.847 20.048 -10.042 1.00 0.00 N ATOM 223 CA ASP A 15 0.711 19.691 -11.440 1.00 0.00 C ATOM 224 C ASP A 15 0.577 18.181 -11.575 1.00 0.00 C ATOM 225 O ASP A 15 -0.085 17.695 -12.489 1.00 0.00 O ATOM 226 CB ASP A 15 1.925 20.197 -12.214 1.00 0.00 C ATOM 227 CG ASP A 15 1.663 20.173 -13.713 1.00 0.00 C ATOM 228 OD1 ASP A 15 1.957 19.123 -14.324 1.00 0.00 O ATOM 229 OD2 ASP A 15 1.174 21.206 -14.220 1.00 0.00 O ATOM 0 H ASP A 15 1.297 19.335 -9.468 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.185 20.154 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.164 21.213 -11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.792 19.579 -11.983 1.00 0.00 H new ATOM 234 N ILE A 16 1.206 17.440 -10.660 1.00 0.00 N ATOM 235 CA ILE A 16 1.154 15.991 -10.679 1.00 0.00 C ATOM 236 C ILE A 16 -0.110 15.513 -9.978 1.00 0.00 C ATOM 237 O ILE A 16 -0.688 14.498 -10.360 1.00 0.00 O ATOM 238 CB ILE A 16 2.397 15.429 -9.997 1.00 0.00 C ATOM 239 CG1 ILE A 16 3.639 16.125 -10.547 1.00 0.00 C ATOM 240 CG2 ILE A 16 2.492 13.930 -10.268 1.00 0.00 C ATOM 241 CD1 ILE A 16 4.885 15.533 -9.895 1.00 0.00 C ATOM 0 H ILE A 16 1.758 17.830 -9.896 1.00 0.00 H new ATOM 0 HA ILE A 16 1.131 15.636 -11.709 1.00 0.00 H new ATOM 0 HB ILE A 16 2.330 15.601 -8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.689 16.002 -11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.586 17.196 -10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.380 13.528 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.606 13.432 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.558 13.758 -11.342 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.772 16.030 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.835 15.679 -8.816 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.939 14.467 -10.115 1.00 0.00 H new ATOM 253 N TYR A 17 -0.540 16.248 -8.950 1.00 0.00 N ATOM 254 CA TYR A 17 -1.730 15.893 -8.203 1.00 0.00 C ATOM 255 C TYR A 17 -2.951 15.981 -9.106 1.00 0.00 C ATOM 256 O TYR A 17 -3.720 15.028 -9.211 1.00 0.00 O ATOM 257 CB TYR A 17 -1.874 16.828 -7.005 1.00 0.00 C ATOM 258 CG TYR A 17 -2.758 16.275 -5.913 1.00 0.00 C ATOM 259 CD1 TYR A 17 -2.286 15.254 -5.079 1.00 0.00 C ATOM 260 CD2 TYR A 17 -4.050 16.784 -5.733 1.00 0.00 C ATOM 261 CE1 TYR A 17 -3.105 14.742 -4.066 1.00 0.00 C ATOM 262 CE2 TYR A 17 -4.869 16.272 -4.720 1.00 0.00 C ATOM 263 CZ TYR A 17 -4.397 15.251 -3.887 1.00 0.00 C ATOM 264 OH TYR A 17 -5.195 14.753 -2.899 1.00 0.00 O ATOM 0 H TYR A 17 -0.074 17.094 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.645 14.869 -7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.886 17.033 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.281 17.780 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.289 14.861 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.415 17.572 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.741 13.955 -3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.865 16.665 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.058 15.217 -2.911 1.00 0.00 H new ATOM 274 N LYS A 18 -3.129 17.131 -9.762 1.00 0.00 N ATOM 275 CA LYS A 18 -4.254 17.337 -10.651 1.00 0.00 C ATOM 276 C LYS A 18 -4.188 16.349 -11.807 1.00 0.00 C ATOM 277 O LYS A 18 -5.192 15.737 -12.164 1.00 0.00 O ATOM 278 CB LYS A 18 -4.238 18.773 -11.166 1.00 0.00 C ATOM 279 CG LYS A 18 -4.435 19.734 -9.997 1.00 0.00 C ATOM 280 CD LYS A 18 -3.138 20.496 -9.741 1.00 0.00 C ATOM 281 CE LYS A 18 -3.461 21.872 -9.166 1.00 0.00 C ATOM 282 NZ LYS A 18 -2.575 22.901 -9.731 1.00 0.00 N ATOM 0 H LYS A 18 -2.501 17.931 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.185 17.169 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.292 18.981 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.027 18.915 -11.904 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.242 20.432 -10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.727 19.182 -9.104 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.508 19.939 -9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.576 20.601 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.500 22.124 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.354 21.851 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.137 23.444 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.832 22.446 -10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.128 23.542 -10.335 1.00 0.00 H new ATOM 296 N LYS A 19 -2.998 16.194 -12.393 1.00 0.00 N ATOM 297 CA LYS A 19 -2.806 15.284 -13.504 1.00 0.00 C ATOM 298 C LYS A 19 -3.087 13.856 -13.057 1.00 0.00 C ATOM 299 O LYS A 19 -3.888 13.156 -13.671 1.00 0.00 O ATOM 300 CB LYS A 19 -1.379 15.415 -14.028 1.00 0.00 C ATOM 301 CG LYS A 19 -1.204 14.524 -15.254 1.00 0.00 C ATOM 302 CD LYS A 19 0.060 13.684 -15.097 1.00 0.00 C ATOM 303 CE LYS A 19 0.031 12.969 -13.749 1.00 0.00 C ATOM 304 NZ LYS A 19 1.103 13.459 -12.869 1.00 0.00 N ATOM 0 H LYS A 19 -2.155 16.693 -12.109 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.499 15.535 -14.307 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.169 16.453 -14.286 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.668 15.129 -13.253 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.072 13.875 -15.372 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.138 15.135 -16.154 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.129 12.956 -15.905 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.943 14.320 -15.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.936 13.125 -13.271 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.142 11.895 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.484 12.668 -12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.863 13.874 -13.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.721 14.182 -12.226 1.00 0.00 H new ATOM 318 N VAL A 20 -2.422 13.425 -11.982 1.00 0.00 N ATOM 319 CA VAL A 20 -2.600 12.086 -11.458 1.00 0.00 C ATOM 320 C VAL A 20 -4.085 11.776 -11.333 1.00 0.00 C ATOM 321 O VAL A 20 -4.610 10.938 -12.062 1.00 0.00 O ATOM 322 CB VAL A 20 -1.908 11.975 -10.103 1.00 0.00 C ATOM 323 CG1 VAL A 20 -2.416 10.736 -9.372 1.00 0.00 C ATOM 324 CG2 VAL A 20 -0.400 11.860 -10.310 1.00 0.00 C ATOM 0 H VAL A 20 -1.754 13.994 -11.462 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.154 11.361 -12.139 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.127 12.863 -9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.922 10.657 -8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.493 10.817 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.197 9.848 -9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.095 11.781 -9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.181 10.972 -10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.036 12.745 -10.832 1.00 0.00 H new ATOM 334 N VAL A 21 -4.762 12.456 -10.404 1.00 0.00 N ATOM 335 CA VAL A 21 -6.180 12.251 -10.188 1.00 0.00 C ATOM 336 C VAL A 21 -6.898 12.166 -11.527 1.00 0.00 C ATOM 337 O VAL A 21 -7.894 11.458 -11.656 1.00 0.00 O ATOM 338 CB VAL A 21 -6.736 13.397 -9.348 1.00 0.00 C ATOM 339 CG1 VAL A 21 -6.716 14.685 -10.167 1.00 0.00 C ATOM 340 CG2 VAL A 21 -8.171 13.077 -8.939 1.00 0.00 C ATOM 0 H VAL A 21 -4.341 13.154 -9.791 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.339 11.315 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.123 13.524 -8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.113 15.504 -9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.691 14.914 -10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.329 14.558 -11.059 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.569 13.895 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.784 12.950 -9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.186 12.157 -8.354 1.00 0.00 H new ATOM 350 N ARG A 22 -6.388 12.889 -12.527 1.00 0.00 N ATOM 351 CA ARG A 22 -6.981 12.892 -13.849 1.00 0.00 C ATOM 352 C ARG A 22 -6.669 11.582 -14.557 1.00 0.00 C ATOM 353 O ARG A 22 -7.497 11.066 -15.305 1.00 0.00 O ATOM 354 CB ARG A 22 -6.442 14.078 -14.644 1.00 0.00 C ATOM 355 CG ARG A 22 -7.411 14.415 -15.774 1.00 0.00 C ATOM 356 CD ARG A 22 -8.487 15.365 -15.255 1.00 0.00 C ATOM 357 NE ARG A 22 -8.918 16.293 -16.301 1.00 0.00 N ATOM 358 CZ ARG A 22 -9.571 15.893 -17.401 1.00 0.00 C ATOM 359 NH1 ARG A 22 -9.857 14.596 -17.577 1.00 0.00 N ATOM 360 NH2 ARG A 22 -9.939 16.791 -18.326 1.00 0.00 N ATOM 0 H ARG A 22 -5.561 13.480 -12.436 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.064 12.988 -13.766 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.315 14.941 -13.990 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.460 13.840 -15.052 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.874 14.875 -16.603 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.870 13.504 -16.158 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.342 14.791 -14.899 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.102 15.925 -14.403 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.713 17.286 -16.188 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.578 13.912 -16.874 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.354 14.292 -18.414 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.722 17.779 -18.193 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.436 16.486 -19.163 1.00 0.00 H new ATOM 374 N VAL A 23 -5.471 11.044 -14.320 1.00 0.00 N ATOM 375 CA VAL A 23 -5.056 9.799 -14.934 1.00 0.00 C ATOM 376 C VAL A 23 -5.926 8.659 -14.425 1.00 0.00 C ATOM 377 O VAL A 23 -6.256 7.744 -15.177 1.00 0.00 O ATOM 378 CB VAL A 23 -3.586 9.541 -14.615 1.00 0.00 C ATOM 379 CG1 VAL A 23 -3.481 8.508 -13.496 1.00 0.00 C ATOM 380 CG2 VAL A 23 -2.881 9.013 -15.861 1.00 0.00 C ATOM 0 H VAL A 23 -4.774 11.460 -13.703 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.173 9.865 -16.016 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.115 10.471 -14.296 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.431 8.324 -13.268 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.985 8.884 -12.606 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.952 7.578 -13.814 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.831 8.828 -15.634 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.352 8.083 -16.179 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.955 9.750 -16.661 1.00 0.00 H new ATOM 390 N CYS A 24 -6.299 8.716 -13.145 1.00 0.00 N ATOM 391 CA CYS A 24 -7.129 7.691 -12.543 1.00 0.00 C ATOM 392 C CYS A 24 -8.505 7.695 -13.193 1.00 0.00 C ATOM 393 O CYS A 24 -9.028 6.642 -13.551 1.00 0.00 O ATOM 394 CB CYS A 24 -7.239 7.943 -11.042 1.00 0.00 C ATOM 395 SG CYS A 24 -5.684 8.451 -10.266 1.00 0.00 S ATOM 0 H CYS A 24 -6.034 9.468 -12.509 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.677 6.712 -12.701 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.989 8.714 -10.867 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.596 7.035 -10.556 1.00 0.00 H new ATOM 400 N GLU A 25 -9.091 8.885 -13.347 1.00 0.00 N ATOM 401 CA GLU A 25 -10.400 9.017 -13.953 1.00 0.00 C ATOM 402 C GLU A 25 -10.457 8.217 -15.247 1.00 0.00 C ATOM 403 O GLU A 25 -11.363 7.411 -15.444 1.00 0.00 O ATOM 404 CB GLU A 25 -10.691 10.492 -14.216 1.00 0.00 C ATOM 405 CG GLU A 25 -10.831 11.228 -12.887 1.00 0.00 C ATOM 406 CD GLU A 25 -12.276 11.215 -12.409 1.00 0.00 C ATOM 407 OE1 GLU A 25 -12.827 10.099 -12.296 1.00 0.00 O ATOM 408 OE2 GLU A 25 -12.803 12.322 -12.165 1.00 0.00 O ATOM 0 H GLU A 25 -8.671 9.768 -13.057 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.158 8.624 -13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.887 10.933 -14.805 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.606 10.595 -14.799 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.192 10.760 -12.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.490 12.257 -12.999 1.00 0.00 H new ATOM 415 N ASP A 26 -9.482 8.442 -16.130 1.00 0.00 N ATOM 416 CA ASP A 26 -9.424 7.744 -17.399 1.00 0.00 C ATOM 417 C ASP A 26 -9.521 6.244 -17.166 1.00 0.00 C ATOM 418 O ASP A 26 -10.406 5.586 -17.710 1.00 0.00 O ATOM 419 CB ASP A 26 -8.122 8.097 -18.114 1.00 0.00 C ATOM 420 CG ASP A 26 -7.811 7.086 -19.208 1.00 0.00 C ATOM 421 OD1 ASP A 26 -8.353 7.268 -20.319 1.00 0.00 O ATOM 422 OD2 ASP A 26 -7.037 6.150 -18.912 1.00 0.00 O ATOM 0 H ASP A 26 -8.723 9.107 -15.981 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.262 8.050 -18.026 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.199 9.095 -18.547 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.303 8.124 -17.395 1.00 0.00 H new ATOM 427 N CYS A 27 -8.610 5.703 -16.355 1.00 0.00 N ATOM 428 CA CYS A 27 -8.598 4.285 -16.054 1.00 0.00 C ATOM 429 C CYS A 27 -9.929 3.878 -15.440 1.00 0.00 C ATOM 430 O CYS A 27 -10.442 2.798 -15.723 1.00 0.00 O ATOM 431 CB CYS A 27 -7.445 3.977 -15.102 1.00 0.00 C ATOM 432 SG CYS A 27 -7.896 4.062 -13.351 1.00 0.00 S ATOM 0 H CYS A 27 -7.871 6.235 -15.897 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.455 3.715 -16.972 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.063 2.980 -15.321 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.633 4.678 -15.292 1.00 0.00 H new ATOM 437 N THR A 28 -10.489 4.747 -14.594 1.00 0.00 N ATOM 438 CA THR A 28 -11.755 4.471 -13.947 1.00 0.00 C ATOM 439 C THR A 28 -12.811 4.142 -14.993 1.00 0.00 C ATOM 440 O THR A 28 -13.749 3.395 -14.721 1.00 0.00 O ATOM 441 CB THR A 28 -12.175 5.680 -13.117 1.00 0.00 C ATOM 442 OG1 THR A 28 -11.145 6.011 -12.214 1.00 0.00 O ATOM 443 CG2 THR A 28 -13.446 5.348 -12.340 1.00 0.00 C ATOM 0 H THR A 28 -10.077 5.647 -14.347 1.00 0.00 H new ATOM 0 HA THR A 28 -11.649 3.611 -13.286 1.00 0.00 H new ATOM 0 HB THR A 28 -12.364 6.526 -13.778 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.281 5.969 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.746 6.212 -11.747 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.243 5.093 -13.038 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.258 4.502 -11.679 1.00 0.00 H new ATOM 451 N ASN A 29 -12.656 4.703 -16.194 1.00 0.00 N ATOM 452 CA ASN A 29 -13.593 4.466 -17.274 1.00 0.00 C ATOM 453 C ASN A 29 -13.325 3.108 -17.906 1.00 0.00 C ATOM 454 O ASN A 29 -14.256 2.364 -18.206 1.00 0.00 O ATOM 455 CB ASN A 29 -13.464 5.580 -18.310 1.00 0.00 C ATOM 456 CG ASN A 29 -14.087 6.871 -17.799 1.00 0.00 C ATOM 457 OD1 ASN A 29 -15.147 7.280 -18.270 1.00 0.00 O ATOM 458 ND2 ASN A 29 -13.428 7.513 -16.832 1.00 0.00 N ATOM 0 H ASN A 29 -11.885 5.325 -16.435 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.610 4.465 -16.883 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.412 5.746 -18.542 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.951 5.278 -19.237 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.801 8.383 -16.452 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.552 7.134 -16.473 1.00 0.00 H new ATOM 465 N ILE A 30 -12.045 2.787 -18.108 1.00 0.00 N ATOM 466 CA ILE A 30 -11.656 1.523 -18.700 1.00 0.00 C ATOM 467 C ILE A 30 -12.388 0.382 -18.007 1.00 0.00 C ATOM 468 O ILE A 30 -12.998 -0.457 -18.665 1.00 0.00 O ATOM 469 CB ILE A 30 -10.145 1.348 -18.580 1.00 0.00 C ATOM 470 CG1 ILE A 30 -9.464 1.949 -19.807 1.00 0.00 C ATOM 471 CG2 ILE A 30 -9.810 -0.138 -18.490 1.00 0.00 C ATOM 472 CD1 ILE A 30 -9.813 3.432 -19.907 1.00 0.00 C ATOM 0 H ILE A 30 -11.263 3.395 -17.866 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.926 1.514 -19.756 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.791 1.855 -17.682 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.384 1.823 -19.735 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.787 1.427 -20.708 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.731 -0.263 -18.404 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.296 -0.568 -17.614 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.164 -0.646 -19.387 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.327 3.862 -20.783 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -10.893 3.546 -19.999 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.468 3.948 -19.011 1.00 0.00 H new ATOM 484 N PHE A 31 -12.327 0.354 -16.674 1.00 0.00 N ATOM 485 CA PHE A 31 -12.984 -0.681 -15.901 1.00 0.00 C ATOM 486 C PHE A 31 -14.395 -0.240 -15.540 1.00 0.00 C ATOM 487 O PHE A 31 -15.255 -1.072 -15.261 1.00 0.00 O ATOM 488 CB PHE A 31 -12.168 -0.971 -14.644 1.00 0.00 C ATOM 489 CG PHE A 31 -10.681 -1.048 -14.895 1.00 0.00 C ATOM 490 CD1 PHE A 31 -10.109 -2.242 -15.350 1.00 0.00 C ATOM 491 CD2 PHE A 31 -9.875 0.074 -14.674 1.00 0.00 C ATOM 492 CE1 PHE A 31 -8.731 -2.313 -15.584 1.00 0.00 C ATOM 493 CE2 PHE A 31 -8.496 0.003 -14.908 1.00 0.00 C ATOM 494 CZ PHE A 31 -7.924 -1.191 -15.363 1.00 0.00 C ATOM 0 H PHE A 31 -11.825 1.043 -16.113 1.00 0.00 H new ATOM 0 HA PHE A 31 -13.052 -1.594 -16.493 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.364 -0.193 -13.906 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -12.505 -1.913 -14.211 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.731 -3.108 -15.520 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.316 0.995 -14.323 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.290 -3.234 -15.935 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.874 0.869 -14.737 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.861 -1.246 -15.543 1.00 0.00 H new ATOM 504 N ARG A 32 -14.630 1.074 -15.547 1.00 0.00 N ATOM 505 CA ARG A 32 -15.933 1.619 -15.220 1.00 0.00 C ATOM 506 C ARG A 32 -16.246 1.363 -13.753 1.00 0.00 C ATOM 507 O ARG A 32 -17.410 1.278 -13.370 1.00 0.00 O ATOM 508 CB ARG A 32 -16.990 0.981 -16.117 1.00 0.00 C ATOM 509 CG ARG A 32 -17.370 1.957 -17.228 1.00 0.00 C ATOM 510 CD ARG A 32 -18.869 2.236 -17.169 1.00 0.00 C ATOM 511 NE ARG A 32 -19.621 1.227 -17.915 1.00 0.00 N ATOM 512 CZ ARG A 32 -20.382 1.527 -18.977 1.00 0.00 C ATOM 513 NH1 ARG A 32 -20.476 2.796 -19.396 1.00 0.00 N ATOM 514 NH2 ARG A 32 -21.048 0.558 -19.619 1.00 0.00 N ATOM 0 H ARG A 32 -13.927 1.776 -15.778 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.934 2.696 -15.389 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.607 0.055 -16.547 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -17.871 0.720 -15.530 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.812 2.886 -17.117 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.105 1.540 -18.200 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.200 2.247 -16.130 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.075 3.225 -17.579 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.564 0.254 -17.614 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.969 3.533 -18.907 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.055 3.025 -20.204 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.976 -0.408 -19.300 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.627 0.786 -20.427 1.00 0.00 H new ATOM 528 N LEU A 33 -15.200 1.239 -12.931 1.00 0.00 N ATOM 529 CA LEU A 33 -15.367 0.994 -11.513 1.00 0.00 C ATOM 530 C LEU A 33 -15.070 2.266 -10.730 1.00 0.00 C ATOM 531 O LEU A 33 -14.050 2.912 -10.956 1.00 0.00 O ATOM 532 CB LEU A 33 -14.438 -0.136 -11.079 1.00 0.00 C ATOM 533 CG LEU A 33 -15.040 -1.476 -11.494 1.00 0.00 C ATOM 534 CD1 LEU A 33 -14.457 -1.902 -12.838 1.00 0.00 C ATOM 535 CD2 LEU A 33 -14.712 -2.529 -10.440 1.00 0.00 C ATOM 0 H LEU A 33 -14.228 1.306 -13.234 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.397 0.699 -11.311 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.456 -0.009 -11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.294 -0.109 -9.999 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.122 -1.376 -11.583 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.887 -2.859 -13.134 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -14.692 -1.150 -13.591 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.375 -2.002 -12.750 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.142 -3.486 -10.736 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.630 -2.629 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.129 -2.225 -9.480 1.00 0.00 H new ATOM 547 N PRO A 34 -15.967 2.623 -9.808 1.00 0.00 N ATOM 548 CA PRO A 34 -15.851 3.796 -8.969 1.00 0.00 C ATOM 549 C PRO A 34 -14.763 3.575 -7.928 1.00 0.00 C ATOM 550 O PRO A 34 -14.092 4.518 -7.516 1.00 0.00 O ATOM 551 CB PRO A 34 -17.220 3.942 -8.308 1.00 0.00 C ATOM 552 CG PRO A 34 -17.709 2.497 -8.222 1.00 0.00 C ATOM 553 CD PRO A 34 -17.178 1.886 -9.517 1.00 0.00 C ATOM 0 HA PRO A 34 -15.579 4.691 -9.528 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -17.147 4.404 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.892 4.562 -8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -17.315 1.988 -7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -18.796 2.440 -8.163 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -16.974 0.822 -9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -17.903 1.982 -10.325 1.00 0.00 H new ATOM 561 N GLY A 35 -14.590 2.322 -7.501 1.00 0.00 N ATOM 562 CA GLY A 35 -13.586 1.987 -6.510 1.00 0.00 C ATOM 563 C GLY A 35 -12.257 1.686 -7.187 1.00 0.00 C ATOM 564 O GLY A 35 -11.762 0.562 -7.121 1.00 0.00 O ATOM 0 H GLY A 35 -15.137 1.527 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -13.466 2.814 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.911 1.123 -5.931 1.00 0.00 H new ATOM 568 N LEU A 36 -11.678 2.696 -7.841 1.00 0.00 N ATOM 569 CA LEU A 36 -10.411 2.537 -8.527 1.00 0.00 C ATOM 570 C LEU A 36 -9.657 3.860 -8.532 1.00 0.00 C ATOM 571 O LEU A 36 -8.503 3.921 -8.113 1.00 0.00 O ATOM 572 CB LEU A 36 -10.662 2.053 -9.952 1.00 0.00 C ATOM 573 CG LEU A 36 -9.409 1.361 -10.481 1.00 0.00 C ATOM 574 CD1 LEU A 36 -9.177 0.066 -9.707 1.00 0.00 C ATOM 575 CD2 LEU A 36 -9.592 1.042 -11.963 1.00 0.00 C ATOM 0 H LEU A 36 -12.075 3.633 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.803 1.797 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.506 1.364 -9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.924 2.895 -10.593 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.549 2.019 -10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.282 -0.428 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.047 0.293 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.036 -0.593 -9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.697 0.548 -12.342 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.452 0.384 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.758 1.966 -12.516 1.00 0.00 H new ATOM 587 N ASP A 37 -10.314 4.920 -9.007 1.00 0.00 N ATOM 588 CA ASP A 37 -9.705 6.234 -9.065 1.00 0.00 C ATOM 589 C ASP A 37 -8.943 6.505 -7.775 1.00 0.00 C ATOM 590 O ASP A 37 -7.762 6.846 -7.809 1.00 0.00 O ATOM 591 CB ASP A 37 -10.787 7.287 -9.285 1.00 0.00 C ATOM 592 CG ASP A 37 -10.185 8.684 -9.330 1.00 0.00 C ATOM 593 OD1 ASP A 37 -9.596 9.082 -8.302 1.00 0.00 O ATOM 594 OD2 ASP A 37 -10.326 9.328 -10.393 1.00 0.00 O ATOM 0 H ASP A 37 -11.272 4.885 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.001 6.277 -9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.314 7.084 -10.217 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -11.524 7.230 -8.484 1.00 0.00 H new ATOM 599 N GLY A 38 -9.621 6.352 -6.635 1.00 0.00 N ATOM 600 CA GLY A 38 -9.002 6.582 -5.345 1.00 0.00 C ATOM 601 C GLY A 38 -7.637 5.911 -5.288 1.00 0.00 C ATOM 602 O GLY A 38 -6.609 6.584 -5.263 1.00 0.00 O ATOM 0 H GLY A 38 -10.600 6.069 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.896 7.653 -5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.640 6.191 -4.553 1.00 0.00 H new ATOM 606 N MET A 39 -7.630 4.576 -5.266 1.00 0.00 N ATOM 607 CA MET A 39 -6.394 3.821 -5.209 1.00 0.00 C ATOM 608 C MET A 39 -5.362 4.447 -6.136 1.00 0.00 C ATOM 609 O MET A 39 -4.267 4.801 -5.704 1.00 0.00 O ATOM 610 CB MET A 39 -6.666 2.372 -5.603 1.00 0.00 C ATOM 611 CG MET A 39 -7.313 1.639 -4.432 1.00 0.00 C ATOM 612 SD MET A 39 -7.223 -0.165 -4.554 1.00 0.00 S ATOM 613 CE MET A 39 -7.844 -0.372 -6.241 1.00 0.00 C ATOM 0 H MET A 39 -8.473 4.002 -5.287 1.00 0.00 H new ATOM 0 HA MET A 39 -5.999 3.840 -4.193 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.321 2.338 -6.474 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.735 1.880 -5.884 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.830 1.955 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.359 1.937 -4.363 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.028 -1.429 -6.434 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.773 0.186 -6.358 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.105 0.002 -6.949 1.00 0.00 H new ATOM 623 N CYS A 40 -5.714 4.582 -7.417 1.00 0.00 N ATOM 624 CA CYS A 40 -4.821 5.162 -8.399 1.00 0.00 C ATOM 625 C CYS A 40 -4.142 6.392 -7.814 1.00 0.00 C ATOM 626 O CYS A 40 -3.014 6.714 -8.181 1.00 0.00 O ATOM 627 CB CYS A 40 -5.613 5.527 -9.652 1.00 0.00 C ATOM 628 SG CYS A 40 -4.688 6.533 -10.839 1.00 0.00 S ATOM 0 H CYS A 40 -6.618 4.293 -7.791 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.051 4.439 -8.669 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.938 4.610 -10.144 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.513 6.067 -9.357 1.00 0.00 H new ATOM 633 N ARG A 41 -4.831 7.079 -6.900 1.00 0.00 N ATOM 634 CA ARG A 41 -4.293 8.268 -6.271 1.00 0.00 C ATOM 635 C ARG A 41 -4.644 8.271 -4.790 1.00 0.00 C ATOM 636 O ARG A 41 -5.035 9.300 -4.244 1.00 0.00 O ATOM 637 CB ARG A 41 -4.856 9.507 -6.961 1.00 0.00 C ATOM 638 CG ARG A 41 -6.369 9.369 -7.100 1.00 0.00 C ATOM 639 CD ARG A 41 -7.054 10.515 -6.360 1.00 0.00 C ATOM 640 NE ARG A 41 -6.522 11.809 -6.789 1.00 0.00 N ATOM 641 CZ ARG A 41 -6.100 12.742 -5.926 1.00 0.00 C ATOM 642 NH1 ARG A 41 -6.153 12.509 -4.607 1.00 0.00 N ATOM 643 NH2 ARG A 41 -5.624 13.910 -6.380 1.00 0.00 N ATOM 0 H ARG A 41 -5.766 6.823 -6.584 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.207 8.276 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.613 10.399 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.399 9.628 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.651 9.382 -8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.697 8.412 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.128 10.481 -6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.910 10.397 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.470 12.009 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.515 11.621 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.831 13.220 -3.950 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.583 14.089 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.303 14.620 -5.722 1.00 0.00 H new ATOM 657 N ASN A 42 -4.503 7.113 -4.139 1.00 0.00 N ATOM 658 CA ASN A 42 -4.804 6.990 -2.727 1.00 0.00 C ATOM 659 C ASN A 42 -3.593 7.401 -1.901 1.00 0.00 C ATOM 660 O ASN A 42 -3.389 8.584 -1.639 1.00 0.00 O ATOM 661 CB ASN A 42 -5.206 5.551 -2.418 1.00 0.00 C ATOM 662 CG ASN A 42 -5.342 5.335 -0.918 1.00 0.00 C ATOM 663 OD1 ASN A 42 -5.588 4.217 -0.470 1.00 0.00 O ATOM 664 ND2 ASN A 42 -5.179 6.408 -0.141 1.00 0.00 N ATOM 0 H ASN A 42 -4.181 6.250 -4.577 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.633 7.649 -2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.151 5.320 -2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.460 4.866 -2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.257 6.321 0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.976 7.315 -0.560 1.00 0.00 H new ATOM 671 N ARG A 43 -2.790 6.417 -1.490 1.00 0.00 N ATOM 672 CA ARG A 43 -1.606 6.677 -0.697 1.00 0.00 C ATOM 673 C ARG A 43 -0.629 7.531 -1.493 1.00 0.00 C ATOM 674 O ARG A 43 0.392 7.034 -1.963 1.00 0.00 O ATOM 675 CB ARG A 43 -0.963 5.353 -0.294 1.00 0.00 C ATOM 676 CG ARG A 43 -1.473 4.242 -1.207 1.00 0.00 C ATOM 677 CD ARG A 43 -2.720 3.611 -0.593 1.00 0.00 C ATOM 678 NE ARG A 43 -3.422 2.777 -1.569 1.00 0.00 N ATOM 679 CZ ARG A 43 -4.438 1.969 -1.236 1.00 0.00 C ATOM 680 NH1 ARG A 43 -4.851 1.902 0.037 1.00 0.00 N ATOM 681 NH2 ARG A 43 -5.041 1.229 -2.176 1.00 0.00 N ATOM 0 H ARG A 43 -2.947 5.431 -1.699 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.881 7.222 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.122 5.427 -0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.200 5.122 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.704 4.645 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.700 3.486 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.439 3.008 0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.387 4.393 -0.232 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.125 2.812 -2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.392 2.466 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.624 1.287 0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.727 1.281 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.814 0.614 -1.923 1.00 0.00 H new ATOM 695 N CYS A 44 -0.945 8.819 -1.643 1.00 0.00 N ATOM 696 CA CYS A 44 -0.096 9.734 -2.379 1.00 0.00 C ATOM 697 C CYS A 44 0.389 9.069 -3.659 1.00 0.00 C ATOM 698 O CYS A 44 1.591 8.993 -3.905 1.00 0.00 O ATOM 699 CB CYS A 44 1.083 10.149 -1.505 1.00 0.00 C ATOM 700 SG CYS A 44 1.857 11.707 -2.004 1.00 0.00 S ATOM 0 H CYS A 44 -1.789 9.245 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.662 10.626 -2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.743 10.238 -0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.834 9.359 -1.526 1.00 0.00 H new ATOM 705 N PHE A 45 -0.550 8.586 -4.476 1.00 0.00 N ATOM 706 CA PHE A 45 -0.212 7.931 -5.724 1.00 0.00 C ATOM 707 C PHE A 45 0.880 6.898 -5.486 1.00 0.00 C ATOM 708 O PHE A 45 1.547 6.468 -6.425 1.00 0.00 O ATOM 709 CB PHE A 45 0.243 8.976 -6.739 1.00 0.00 C ATOM 710 CG PHE A 45 -0.566 10.251 -6.695 1.00 0.00 C ATOM 711 CD1 PHE A 45 -1.782 10.285 -6.003 1.00 0.00 C ATOM 712 CD2 PHE A 45 -0.100 11.398 -7.349 1.00 0.00 C ATOM 713 CE1 PHE A 45 -2.533 11.466 -5.963 1.00 0.00 C ATOM 714 CE2 PHE A 45 -0.851 12.579 -7.309 1.00 0.00 C ATOM 715 CZ PHE A 45 -2.067 12.613 -6.617 1.00 0.00 C ATOM 0 H PHE A 45 -1.551 8.641 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.089 7.418 -6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.291 9.214 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.181 8.550 -7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.141 9.400 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.838 11.372 -7.884 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.471 11.492 -5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.492 13.464 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.646 13.524 -6.587 1.00 0.00 H new ATOM 725 N TYR A 46 1.062 6.500 -4.225 1.00 0.00 N ATOM 726 CA TYR A 46 2.071 5.522 -3.872 1.00 0.00 C ATOM 727 C TYR A 46 1.411 4.183 -3.575 1.00 0.00 C ATOM 728 O TYR A 46 1.093 3.886 -2.425 1.00 0.00 O ATOM 729 CB TYR A 46 2.856 6.019 -2.661 1.00 0.00 C ATOM 730 CG TYR A 46 4.231 5.406 -2.541 1.00 0.00 C ATOM 731 CD1 TYR A 46 4.991 5.162 -3.691 1.00 0.00 C ATOM 732 CD2 TYR A 46 4.745 5.082 -1.280 1.00 0.00 C ATOM 733 CE1 TYR A 46 6.266 4.593 -3.580 1.00 0.00 C ATOM 734 CE2 TYR A 46 6.020 4.514 -1.169 1.00 0.00 C ATOM 735 CZ TYR A 46 6.780 4.269 -2.318 1.00 0.00 C ATOM 736 OH TYR A 46 8.021 3.715 -2.210 1.00 0.00 O ATOM 0 H TYR A 46 0.517 6.846 -3.435 1.00 0.00 H new ATOM 0 HA TYR A 46 2.760 5.387 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.954 7.103 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.289 5.800 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.594 5.412 -4.664 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.158 5.270 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.852 4.404 -4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.417 4.265 -0.196 1.00 0.00 H new ATOM 0 HH TYR A 46 8.226 3.553 -1.265 1.00 0.00 H new ATOM 746 N ASN A 47 1.207 3.373 -4.616 1.00 0.00 N ATOM 747 CA ASN A 47 0.588 2.072 -4.461 1.00 0.00 C ATOM 748 C ASN A 47 0.542 1.357 -5.804 1.00 0.00 C ATOM 749 O ASN A 47 -0.321 0.512 -6.032 1.00 0.00 O ATOM 750 CB ASN A 47 -0.817 2.244 -3.891 1.00 0.00 C ATOM 751 CG ASN A 47 -1.485 3.488 -4.459 1.00 0.00 C ATOM 752 OD1 ASN A 47 -2.635 3.861 -3.893 1.00 0.00 O flip ATOM 753 ND2 ASN A 47 -0.972 4.099 -5.393 1.00 0.00 N flip ATOM 0 H ASN A 47 1.465 3.604 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 47 1.175 1.466 -3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.418 1.365 -4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.767 2.317 -2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.091 3.774 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.427 4.931 -5.769 1.00 0.00 H new ATOM 760 N GLU A 48 1.476 1.698 -6.694 1.00 0.00 N ATOM 761 CA GLU A 48 1.537 1.086 -8.006 1.00 0.00 C ATOM 762 C GLU A 48 0.230 1.320 -8.750 1.00 0.00 C ATOM 763 O GLU A 48 0.194 1.285 -9.978 1.00 0.00 O ATOM 764 CB GLU A 48 1.815 -0.407 -7.858 1.00 0.00 C ATOM 765 CG GLU A 48 0.495 -1.159 -7.715 1.00 0.00 C ATOM 766 CD GLU A 48 0.458 -2.372 -8.633 1.00 0.00 C ATOM 767 OE1 GLU A 48 0.997 -2.251 -9.754 1.00 0.00 O ATOM 768 OE2 GLU A 48 -0.108 -3.397 -8.196 1.00 0.00 O ATOM 0 H GLU A 48 2.198 2.397 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 48 2.344 1.538 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.362 -0.774 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.444 -0.586 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.363 -1.477 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.335 -0.493 -7.952 1.00 0.00 H new ATOM 775 N TRP A 49 -0.848 1.560 -8.000 1.00 0.00 N ATOM 776 CA TRP A 49 -2.149 1.800 -8.592 1.00 0.00 C ATOM 777 C TRP A 49 -2.029 2.832 -9.705 1.00 0.00 C ATOM 778 O TRP A 49 -2.952 3.005 -10.498 1.00 0.00 O ATOM 779 CB TRP A 49 -3.117 2.277 -7.514 1.00 0.00 C ATOM 780 CG TRP A 49 -3.639 1.202 -6.616 1.00 0.00 C ATOM 781 CD1 TRP A 49 -3.592 1.222 -5.266 1.00 0.00 C ATOM 782 CD2 TRP A 49 -4.286 -0.057 -6.973 1.00 0.00 C ATOM 783 NE1 TRP A 49 -4.163 0.070 -4.767 1.00 0.00 N ATOM 784 CE2 TRP A 49 -4.608 -0.756 -5.779 1.00 0.00 C ATOM 785 CE3 TRP A 49 -4.634 -0.680 -8.185 1.00 0.00 C ATOM 786 CZ2 TRP A 49 -5.239 -2.003 -5.784 1.00 0.00 C ATOM 787 CZ3 TRP A 49 -5.268 -1.931 -8.202 1.00 0.00 C ATOM 788 CH2 TRP A 49 -5.571 -2.594 -7.007 1.00 0.00 C ATOM 0 H TRP A 49 -0.837 1.592 -6.981 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.532 0.875 -9.023 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -2.616 3.029 -6.904 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.962 2.769 -7.997 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -3.172 2.018 -4.669 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -4.246 -0.145 -3.773 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.409 -0.186 -9.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.467 -2.504 -4.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.525 -2.387 -9.147 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.059 -3.557 -7.029 1.00 0.00 H new ATOM 799 N PHE A 50 -0.886 3.519 -9.761 1.00 0.00 N ATOM 800 CA PHE A 50 -0.651 4.528 -10.774 1.00 0.00 C ATOM 801 C PHE A 50 -0.315 3.861 -12.100 1.00 0.00 C ATOM 802 O PHE A 50 -0.517 4.447 -13.161 1.00 0.00 O ATOM 803 CB PHE A 50 0.485 5.443 -10.325 1.00 0.00 C ATOM 804 CG PHE A 50 0.378 6.848 -10.869 1.00 0.00 C ATOM 805 CD1 PHE A 50 -0.880 7.433 -11.054 1.00 0.00 C ATOM 806 CD2 PHE A 50 1.538 7.563 -11.191 1.00 0.00 C ATOM 807 CE1 PHE A 50 -0.979 8.734 -11.561 1.00 0.00 C ATOM 808 CE2 PHE A 50 1.439 8.864 -11.698 1.00 0.00 C ATOM 809 CZ PHE A 50 0.181 9.450 -11.883 1.00 0.00 C ATOM 0 H PHE A 50 -0.111 3.388 -9.110 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.551 5.128 -10.911 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.499 5.484 -9.236 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.435 5.011 -10.640 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.774 6.881 -10.806 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.508 7.111 -11.048 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.950 9.186 -11.704 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.333 9.416 -11.947 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.105 10.454 -12.274 1.00 0.00 H new ATOM 819 N LEU A 51 0.199 2.630 -12.037 1.00 0.00 N ATOM 820 CA LEU A 51 0.560 1.890 -13.229 1.00 0.00 C ATOM 821 C LEU A 51 -0.653 1.137 -13.756 1.00 0.00 C ATOM 822 O LEU A 51 -0.850 1.041 -14.966 1.00 0.00 O ATOM 823 CB LEU A 51 1.695 0.924 -12.903 1.00 0.00 C ATOM 824 CG LEU A 51 2.163 0.239 -14.183 1.00 0.00 C ATOM 825 CD1 LEU A 51 3.617 0.610 -14.458 1.00 0.00 C ATOM 826 CD2 LEU A 51 2.046 -1.274 -14.022 1.00 0.00 C ATOM 0 H LEU A 51 0.372 2.131 -11.165 1.00 0.00 H new ATOM 0 HA LEU A 51 0.898 2.581 -14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.523 1.462 -12.442 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.357 0.180 -12.182 1.00 0.00 H new ATOM 0 HG LEU A 51 1.542 0.565 -15.017 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.951 0.120 -15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.701 1.691 -14.574 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.239 0.285 -13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.380 -1.764 -14.936 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.667 -1.600 -13.188 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.007 -1.540 -13.827 1.00 0.00 H new ATOM 838 N ILE A 52 -1.468 0.602 -12.844 1.00 0.00 N ATOM 839 CA ILE A 52 -2.657 -0.137 -13.218 1.00 0.00 C ATOM 840 C ILE A 52 -3.529 0.716 -14.128 1.00 0.00 C ATOM 841 O ILE A 52 -4.048 0.228 -15.129 1.00 0.00 O ATOM 842 CB ILE A 52 -3.420 -0.542 -11.959 1.00 0.00 C ATOM 843 CG1 ILE A 52 -2.539 -1.439 -11.095 1.00 0.00 C ATOM 844 CG2 ILE A 52 -4.685 -1.300 -12.354 1.00 0.00 C ATOM 845 CD1 ILE A 52 -1.538 -0.580 -10.328 1.00 0.00 C ATOM 0 H ILE A 52 -1.317 0.672 -11.838 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.375 -1.039 -13.761 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.691 0.351 -11.396 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.154 -2.009 -10.399 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.012 -2.160 -11.720 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.231 -1.590 -11.456 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.315 -0.659 -12.971 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.413 -2.193 -12.917 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.908 -1.220 -9.710 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.915 -0.030 -11.033 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.075 0.124 -9.692 1.00 0.00 H new ATOM 857 N CYS A 53 -3.690 1.994 -13.777 1.00 0.00 N ATOM 858 CA CYS A 53 -4.497 2.908 -14.561 1.00 0.00 C ATOM 859 C CYS A 53 -3.757 3.281 -15.838 1.00 0.00 C ATOM 860 O CYS A 53 -4.328 3.236 -16.925 1.00 0.00 O ATOM 861 CB CYS A 53 -4.808 4.151 -13.733 1.00 0.00 C ATOM 862 SG CYS A 53 -6.069 3.889 -12.461 1.00 0.00 S ATOM 0 H CYS A 53 -3.266 2.413 -12.949 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.436 2.427 -14.835 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -3.891 4.496 -13.256 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.139 4.947 -14.400 1.00 0.00 H new ATOM 867 N LEU A 54 -2.481 3.653 -15.703 1.00 0.00 N ATOM 868 CA LEU A 54 -1.670 4.032 -16.843 1.00 0.00 C ATOM 869 C LEU A 54 -1.738 2.948 -17.909 1.00 0.00 C ATOM 870 O LEU A 54 -1.683 3.241 -19.102 1.00 0.00 O ATOM 871 CB LEU A 54 -0.230 4.255 -16.391 1.00 0.00 C ATOM 872 CG LEU A 54 -0.067 5.693 -15.905 1.00 0.00 C ATOM 873 CD1 LEU A 54 1.042 5.754 -14.859 1.00 0.00 C ATOM 874 CD2 LEU A 54 0.295 6.590 -17.085 1.00 0.00 C ATOM 0 H LEU A 54 -1.994 3.697 -14.808 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.051 4.959 -17.271 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.024 3.559 -15.592 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.456 4.058 -17.215 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.002 6.036 -15.462 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.159 6.781 -14.512 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.783 5.113 -14.016 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.978 5.412 -15.301 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.412 7.617 -16.739 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.230 6.248 -17.528 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.498 6.547 -17.832 1.00 0.00 H new ATOM 886 N LYS A 55 -1.859 1.690 -17.476 1.00 0.00 N ATOM 887 CA LYS A 55 -1.934 0.571 -18.394 1.00 0.00 C ATOM 888 C LYS A 55 -3.255 0.608 -19.148 1.00 0.00 C ATOM 889 O LYS A 55 -3.287 0.405 -20.360 1.00 0.00 O ATOM 890 CB LYS A 55 -1.792 -0.734 -17.615 1.00 0.00 C ATOM 891 CG LYS A 55 -0.357 -1.239 -17.728 1.00 0.00 C ATOM 892 CD LYS A 55 0.163 -1.610 -16.341 1.00 0.00 C ATOM 893 CE LYS A 55 0.348 -3.122 -16.254 1.00 0.00 C ATOM 894 NZ LYS A 55 -0.872 -3.828 -16.675 1.00 0.00 N ATOM 0 H LYS A 55 -1.906 1.430 -16.491 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.124 0.637 -19.120 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.052 -0.576 -16.568 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.484 -1.480 -18.006 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.316 -2.106 -18.387 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.276 -0.471 -18.172 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.110 -1.106 -16.149 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.538 -1.274 -15.577 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.184 -3.426 -16.884 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.600 -3.403 -15.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.978 -4.700 -16.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.698 -3.216 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.803 -4.068 -17.685 1.00 0.00 H new ATOM 908 N ALA A 56 -4.348 0.867 -18.427 1.00 0.00 N ATOM 909 CA ALA A 56 -5.665 0.928 -19.028 1.00 0.00 C ATOM 910 C ALA A 56 -5.656 1.914 -20.188 1.00 0.00 C ATOM 911 O ALA A 56 -6.585 1.937 -20.993 1.00 0.00 O ATOM 912 CB ALA A 56 -6.686 1.343 -17.973 1.00 0.00 C ATOM 0 H ALA A 56 -4.337 1.037 -17.421 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.940 -0.054 -19.413 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.677 1.389 -18.424 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.690 0.613 -17.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.422 2.323 -17.577 1.00 0.00 H new ATOM 918 N ALA A 57 -4.603 2.730 -20.272 1.00 0.00 N ATOM 919 CA ALA A 57 -4.480 3.713 -21.330 1.00 0.00 C ATOM 920 C ALA A 57 -3.382 3.294 -22.297 1.00 0.00 C ATOM 921 O ALA A 57 -2.985 4.070 -23.163 1.00 0.00 O ATOM 922 CB ALA A 57 -4.173 5.078 -20.721 1.00 0.00 C ATOM 0 H ALA A 57 -3.825 2.723 -19.613 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.417 3.779 -21.882 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.080 5.818 -21.516 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.981 5.367 -20.049 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.238 5.026 -20.163 1.00 0.00 H new ATOM 928 N ASN A 58 -2.890 2.062 -22.148 1.00 0.00 N ATOM 929 CA ASN A 58 -1.843 1.548 -23.007 1.00 0.00 C ATOM 930 C ASN A 58 -0.560 2.339 -22.791 1.00 0.00 C ATOM 931 O ASN A 58 0.531 1.846 -23.069 1.00 0.00 O ATOM 932 CB ASN A 58 -2.293 1.637 -24.463 1.00 0.00 C ATOM 933 CG ASN A 58 -1.115 1.940 -25.378 1.00 0.00 C ATOM 934 OD1 ASN A 58 -0.563 3.149 -25.262 1.00 0.00 O flip ATOM 935 ND2 ASN A 58 -0.714 1.096 -26.176 1.00 0.00 N flip ATOM 0 H ASN A 58 -3.208 1.406 -21.434 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.647 0.504 -22.762 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.759 0.698 -24.762 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.049 2.415 -24.567 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.170 0.185 -26.227 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.075 1.306 -26.787 1.00 0.00 H new ATOM 942 N ARG A 59 -0.695 3.570 -22.292 1.00 0.00 N ATOM 943 CA ARG A 59 0.449 4.423 -22.041 1.00 0.00 C ATOM 944 C ARG A 59 1.556 3.618 -21.376 1.00 0.00 C ATOM 945 O ARG A 59 2.578 3.331 -21.997 1.00 0.00 O ATOM 946 CB ARG A 59 0.026 5.592 -21.157 1.00 0.00 C ATOM 947 CG ARG A 59 -0.374 6.775 -22.034 1.00 0.00 C ATOM 948 CD ARG A 59 -1.575 7.485 -21.416 1.00 0.00 C ATOM 949 NE ARG A 59 -2.524 7.906 -22.447 1.00 0.00 N ATOM 950 CZ ARG A 59 -3.796 8.226 -22.175 1.00 0.00 C ATOM 951 NH1 ARG A 59 -4.247 8.168 -20.914 1.00 0.00 N ATOM 952 NH2 ARG A 59 -4.618 8.604 -23.163 1.00 0.00 N ATOM 0 H ARG A 59 -1.593 3.992 -22.056 1.00 0.00 H new ATOM 0 HA ARG A 59 0.829 4.816 -22.984 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.810 5.298 -20.522 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.844 5.876 -20.496 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.461 7.468 -22.131 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.620 6.430 -23.038 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.071 6.819 -20.710 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.237 8.354 -20.851 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.203 7.958 -23.414 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.622 7.880 -20.161 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.216 8.412 -20.707 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.275 8.648 -24.123 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.587 8.848 -22.956 1.00 0.00 H new ATOM 966 N GLU A 60 1.352 3.252 -20.109 1.00 0.00 N ATOM 967 CA GLU A 60 2.333 2.482 -19.370 1.00 0.00 C ATOM 968 C GLU A 60 3.737 2.888 -19.792 1.00 0.00 C ATOM 969 O GLU A 60 4.645 2.061 -19.820 1.00 0.00 O ATOM 970 CB GLU A 60 2.102 0.994 -19.620 1.00 0.00 C ATOM 971 CG GLU A 60 2.958 0.178 -18.656 1.00 0.00 C ATOM 972 CD GLU A 60 2.415 -1.237 -18.512 1.00 0.00 C ATOM 973 OE1 GLU A 60 1.660 -1.650 -19.419 1.00 0.00 O ATOM 974 OE2 GLU A 60 2.766 -1.879 -17.499 1.00 0.00 O ATOM 0 H GLU A 60 0.511 3.481 -19.579 1.00 0.00 H new ATOM 0 HA GLU A 60 2.227 2.680 -18.303 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.048 0.750 -19.483 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.356 0.744 -20.650 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.986 0.142 -19.017 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.979 0.665 -17.681 1.00 0.00 H new ATOM 981 N ASP A 61 3.914 4.170 -20.121 1.00 0.00 N ATOM 982 CA ASP A 61 5.204 4.681 -20.540 1.00 0.00 C ATOM 983 C ASP A 61 5.602 5.858 -19.661 1.00 0.00 C ATOM 984 O ASP A 61 6.770 6.004 -19.308 1.00 0.00 O ATOM 985 CB ASP A 61 5.133 5.100 -22.006 1.00 0.00 C ATOM 986 CG ASP A 61 5.643 3.991 -22.914 1.00 0.00 C ATOM 987 OD1 ASP A 61 4.848 3.064 -23.180 1.00 0.00 O ATOM 988 OD2 ASP A 61 6.819 4.091 -23.326 1.00 0.00 O ATOM 0 H ASP A 61 3.171 4.869 -20.102 1.00 0.00 H new ATOM 0 HA ASP A 61 5.960 3.903 -20.435 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.104 5.346 -22.268 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.725 6.002 -22.159 1.00 0.00 H new ATOM 993 N GLU A 62 4.626 6.698 -19.307 1.00 0.00 N ATOM 994 CA GLU A 62 4.882 7.854 -18.472 1.00 0.00 C ATOM 995 C GLU A 62 5.034 7.423 -17.020 1.00 0.00 C ATOM 996 O GLU A 62 5.027 8.256 -16.117 1.00 0.00 O ATOM 997 CB GLU A 62 3.738 8.852 -18.623 1.00 0.00 C ATOM 998 CG GLU A 62 2.554 8.170 -19.302 1.00 0.00 C ATOM 999 CD GLU A 62 2.682 8.243 -20.817 1.00 0.00 C ATOM 1000 OE1 GLU A 62 2.261 9.280 -21.373 1.00 0.00 O ATOM 1001 OE2 GLU A 62 3.198 7.259 -21.391 1.00 0.00 O ATOM 0 H GLU A 62 3.652 6.591 -19.591 1.00 0.00 H new ATOM 0 HA GLU A 62 5.810 8.333 -18.785 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.441 9.232 -17.645 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.064 9.709 -19.212 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.500 7.128 -18.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.625 8.647 -18.988 1.00 0.00 H new ATOM 1008 N ILE A 63 5.172 6.113 -16.798 1.00 0.00 N ATOM 1009 CA ILE A 63 5.327 5.574 -15.462 1.00 0.00 C ATOM 1010 C ILE A 63 6.650 6.039 -14.870 1.00 0.00 C ATOM 1011 O ILE A 63 6.708 6.434 -13.707 1.00 0.00 O ATOM 1012 CB ILE A 63 5.264 4.051 -15.518 1.00 0.00 C ATOM 1013 CG1 ILE A 63 4.350 3.620 -16.661 1.00 0.00 C ATOM 1014 CG2 ILE A 63 4.715 3.516 -14.198 1.00 0.00 C ATOM 1015 CD1 ILE A 63 2.949 4.180 -16.430 1.00 0.00 C ATOM 0 H ILE A 63 5.178 5.410 -17.537 1.00 0.00 H new ATOM 0 HA ILE A 63 4.520 5.933 -14.824 1.00 0.00 H new ATOM 0 HB ILE A 63 6.265 3.652 -15.684 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.745 3.979 -17.612 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.313 2.532 -16.721 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.670 2.428 -14.237 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.368 3.823 -13.381 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.714 3.915 -14.032 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.295 3.873 -17.246 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.556 3.800 -15.487 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.994 5.268 -16.391 1.00 0.00 H new ATOM 1027 N GLU A 64 7.716 5.992 -15.673 1.00 0.00 N ATOM 1028 CA GLU A 64 9.029 6.409 -15.223 1.00 0.00 C ATOM 1029 C GLU A 64 8.940 7.776 -14.558 1.00 0.00 C ATOM 1030 O GLU A 64 9.381 7.949 -13.424 1.00 0.00 O ATOM 1031 CB GLU A 64 9.984 6.448 -16.412 1.00 0.00 C ATOM 1032 CG GLU A 64 10.844 5.187 -16.415 1.00 0.00 C ATOM 1033 CD GLU A 64 11.820 5.199 -17.583 1.00 0.00 C ATOM 1034 OE1 GLU A 64 12.815 5.948 -17.483 1.00 0.00 O ATOM 1035 OE2 GLU A 64 11.553 4.458 -18.553 1.00 0.00 O ATOM 0 H GLU A 64 7.686 5.667 -16.639 1.00 0.00 H new ATOM 0 HA GLU A 64 9.408 5.696 -14.491 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.421 6.519 -17.342 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.618 7.333 -16.354 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.394 5.115 -15.477 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.205 4.306 -16.479 1.00 0.00 H new ATOM 1042 N LYS A 65 8.365 8.749 -15.268 1.00 0.00 N ATOM 1043 CA LYS A 65 8.221 10.093 -14.745 1.00 0.00 C ATOM 1044 C LYS A 65 7.121 10.123 -13.693 1.00 0.00 C ATOM 1045 O LYS A 65 7.260 10.779 -12.663 1.00 0.00 O ATOM 1046 CB LYS A 65 7.901 11.051 -15.888 1.00 0.00 C ATOM 1047 CG LYS A 65 7.055 10.331 -16.934 1.00 0.00 C ATOM 1048 CD LYS A 65 5.694 11.012 -17.045 1.00 0.00 C ATOM 1049 CE LYS A 65 5.600 11.747 -18.379 1.00 0.00 C ATOM 1050 NZ LYS A 65 5.963 13.164 -18.227 1.00 0.00 N ATOM 0 H LYS A 65 7.993 8.622 -16.209 1.00 0.00 H new ATOM 0 HA LYS A 65 9.154 10.406 -14.276 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.366 11.921 -15.508 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.823 11.416 -16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.561 10.346 -17.899 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.928 9.284 -16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.898 10.272 -16.969 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.558 11.713 -16.221 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.261 11.275 -19.106 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.586 11.668 -18.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.654 13.694 -19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.498 13.553 -17.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.994 13.249 -18.124 1.00 0.00 H new ATOM 1064 N PHE A 66 6.024 9.409 -13.956 1.00 0.00 N ATOM 1065 CA PHE A 66 4.908 9.358 -13.033 1.00 0.00 C ATOM 1066 C PHE A 66 5.379 8.843 -11.680 1.00 0.00 C ATOM 1067 O PHE A 66 4.880 9.271 -10.642 1.00 0.00 O ATOM 1068 CB PHE A 66 3.817 8.458 -13.605 1.00 0.00 C ATOM 1069 CG PHE A 66 2.870 9.176 -14.537 1.00 0.00 C ATOM 1070 CD1 PHE A 66 3.324 10.261 -15.296 1.00 0.00 C ATOM 1071 CD2 PHE A 66 1.538 8.758 -14.640 1.00 0.00 C ATOM 1072 CE1 PHE A 66 2.446 10.928 -16.158 1.00 0.00 C ATOM 1073 CE2 PHE A 66 0.660 9.425 -15.503 1.00 0.00 C ATOM 1074 CZ PHE A 66 1.114 10.510 -16.262 1.00 0.00 C ATOM 0 H PHE A 66 5.893 8.860 -14.805 1.00 0.00 H new ATOM 0 HA PHE A 66 4.500 10.359 -12.895 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.283 7.631 -14.140 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.247 8.025 -12.783 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.352 10.583 -15.216 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.188 7.921 -14.054 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.796 11.765 -16.743 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.368 9.102 -15.583 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.437 11.025 -16.928 1.00 0.00 H new ATOM 1084 N ARG A 67 6.344 7.920 -11.695 1.00 0.00 N ATOM 1085 CA ARG A 67 6.877 7.351 -10.474 1.00 0.00 C ATOM 1086 C ARG A 67 7.673 8.405 -9.718 1.00 0.00 C ATOM 1087 O ARG A 67 7.309 8.782 -8.606 1.00 0.00 O ATOM 1088 CB ARG A 67 7.756 6.151 -10.815 1.00 0.00 C ATOM 1089 CG ARG A 67 7.076 4.870 -10.340 1.00 0.00 C ATOM 1090 CD ARG A 67 7.910 3.664 -10.762 1.00 0.00 C ATOM 1091 NE ARG A 67 9.013 3.437 -9.828 1.00 0.00 N ATOM 1092 CZ ARG A 67 10.116 2.751 -10.161 1.00 0.00 C ATOM 1093 NH1 ARG A 67 10.242 2.242 -11.394 1.00 0.00 N ATOM 1094 NH2 ARG A 67 11.092 2.575 -9.260 1.00 0.00 N ATOM 0 H ARG A 67 6.768 7.555 -12.548 1.00 0.00 H new ATOM 0 HA ARG A 67 6.059 7.016 -9.837 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.928 6.107 -11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.732 6.255 -10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.963 4.886 -9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.074 4.799 -10.764 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.278 2.777 -10.806 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.305 3.824 -11.765 1.00 0.00 H new ATOM 0 HE ARG A 67 8.940 3.816 -8.884 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.499 2.376 -12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.081 1.720 -11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.996 2.963 -8.321 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.931 2.053 -9.513 1.00 0.00 H new ATOM 1108 N VAL A 68 8.762 8.881 -10.325 1.00 0.00 N ATOM 1109 CA VAL A 68 9.603 9.888 -9.709 1.00 0.00 C ATOM 1110 C VAL A 68 8.740 11.016 -9.162 1.00 0.00 C ATOM 1111 O VAL A 68 9.084 11.634 -8.158 1.00 0.00 O ATOM 1112 CB VAL A 68 10.598 10.417 -10.737 1.00 0.00 C ATOM 1113 CG1 VAL A 68 9.864 11.284 -11.756 1.00 0.00 C ATOM 1114 CG2 VAL A 68 11.663 11.252 -10.031 1.00 0.00 C ATOM 0 H VAL A 68 9.076 8.578 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 68 10.158 9.447 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 68 11.073 9.579 -11.248 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.575 11.662 -12.491 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.103 10.688 -12.260 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.389 12.122 -11.246 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.374 11.630 -10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.189 12.090 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.187 10.633 -9.303 1.00 0.00 H new ATOM 1124 N TRP A 69 7.613 11.283 -9.827 1.00 0.00 N ATOM 1125 CA TRP A 69 6.709 12.332 -9.402 1.00 0.00 C ATOM 1126 C TRP A 69 6.189 12.033 -8.004 1.00 0.00 C ATOM 1127 O TRP A 69 6.264 12.879 -7.115 1.00 0.00 O ATOM 1128 CB TRP A 69 5.556 12.443 -10.396 1.00 0.00 C ATOM 1129 CG TRP A 69 5.938 12.949 -11.750 1.00 0.00 C ATOM 1130 CD1 TRP A 69 7.175 13.355 -12.111 1.00 0.00 C ATOM 1131 CD2 TRP A 69 5.103 13.113 -12.936 1.00 0.00 C ATOM 1132 NE1 TRP A 69 7.163 13.757 -13.430 1.00 0.00 N ATOM 1133 CE2 TRP A 69 5.907 13.629 -13.988 1.00 0.00 C ATOM 1134 CE3 TRP A 69 3.748 12.880 -13.231 1.00 0.00 C ATOM 1135 CZ2 TRP A 69 5.397 13.899 -15.261 1.00 0.00 C ATOM 1136 CZ3 TRP A 69 3.226 13.148 -14.505 1.00 0.00 C ATOM 1137 CH2 TRP A 69 4.045 13.655 -15.520 1.00 0.00 C ATOM 0 H TRP A 69 7.312 10.781 -10.662 1.00 0.00 H new ATOM 0 HA TRP A 69 7.240 13.284 -9.373 1.00 0.00 H new ATOM 0 HB2 TRP A 69 5.096 11.461 -10.508 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.797 13.105 -9.978 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.041 13.363 -11.465 1.00 0.00 H new ATOM 0 HE1 TRP A 69 7.980 14.105 -13.931 1.00 0.00 H new ATOM 0 HE3 TRP A 69 3.098 12.488 -12.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.040 14.291 -16.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.181 12.961 -14.705 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.635 13.857 -16.498 1.00 0.00 H new ATOM 1148 N ILE A 70 5.659 10.823 -7.810 1.00 0.00 N ATOM 1149 CA ILE A 70 5.130 10.414 -6.525 1.00 0.00 C ATOM 1150 C ILE A 70 6.174 10.647 -5.441 1.00 0.00 C ATOM 1151 O ILE A 70 5.829 10.872 -4.283 1.00 0.00 O ATOM 1152 CB ILE A 70 4.730 8.942 -6.585 1.00 0.00 C ATOM 1153 CG1 ILE A 70 4.140 8.630 -7.957 1.00 0.00 C ATOM 1154 CG2 ILE A 70 3.689 8.654 -5.506 1.00 0.00 C ATOM 1155 CD1 ILE A 70 3.289 9.808 -8.424 1.00 0.00 C ATOM 0 H ILE A 70 5.589 10.112 -8.538 1.00 0.00 H new ATOM 0 HA ILE A 70 4.247 11.006 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 70 5.609 8.320 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.939 8.438 -8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.533 7.726 -7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.403 7.603 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.110 8.876 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.810 9.277 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.867 9.586 -9.404 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.482 9.979 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.910 10.702 -8.490 1.00 0.00 H new ATOM 1167 N SER A 71 7.453 10.592 -5.820 1.00 0.00 N ATOM 1168 CA SER A 71 8.536 10.798 -4.880 1.00 0.00 C ATOM 1169 C SER A 71 8.675 12.281 -4.568 1.00 0.00 C ATOM 1170 O SER A 71 9.054 12.652 -3.459 1.00 0.00 O ATOM 1171 CB SER A 71 9.831 10.246 -5.470 1.00 0.00 C ATOM 1172 OG SER A 71 10.410 9.336 -4.562 1.00 0.00 O ATOM 0 H SER A 71 7.755 10.405 -6.776 1.00 0.00 H new ATOM 0 HA SER A 71 8.321 10.271 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.628 9.750 -6.419 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.525 11.061 -5.678 1.00 0.00 H new ATOM 0 HG SER A 71 11.241 8.980 -4.941 1.00 0.00 H new ATOM 1178 N ILE A 72 8.364 13.130 -5.550 1.00 0.00 N ATOM 1179 CA ILE A 72 8.451 14.566 -5.378 1.00 0.00 C ATOM 1180 C ILE A 72 7.457 15.019 -4.318 1.00 0.00 C ATOM 1181 O ILE A 72 7.763 15.897 -3.513 1.00 0.00 O ATOM 1182 CB ILE A 72 8.172 15.255 -6.711 1.00 0.00 C ATOM 1183 CG1 ILE A 72 9.242 14.858 -7.723 1.00 0.00 C ATOM 1184 CG2 ILE A 72 8.194 16.769 -6.515 1.00 0.00 C ATOM 1185 CD1 ILE A 72 8.869 15.403 -9.099 1.00 0.00 C ATOM 0 H ILE A 72 8.049 12.837 -6.475 1.00 0.00 H new ATOM 0 HA ILE A 72 9.454 14.837 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 72 7.193 14.950 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.212 15.250 -7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.335 13.773 -7.763 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.995 17.262 -7.467 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.430 17.053 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.173 17.074 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.634 15.119 -9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.908 14.990 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.798 16.490 -9.053 1.00 0.00 H new ATOM 1197 N LEU A 73 6.265 14.418 -4.317 1.00 0.00 N ATOM 1198 CA LEU A 73 5.235 14.761 -3.358 1.00 0.00 C ATOM 1199 C LEU A 73 5.659 14.318 -1.965 1.00 0.00 C ATOM 1200 O LEU A 73 4.983 14.616 -0.983 1.00 0.00 O ATOM 1201 CB LEU A 73 3.922 14.095 -3.761 1.00 0.00 C ATOM 1202 CG LEU A 73 3.740 14.205 -5.272 1.00 0.00 C ATOM 1203 CD1 LEU A 73 2.678 13.210 -5.730 1.00 0.00 C ATOM 1204 CD2 LEU A 73 3.298 15.622 -5.629 1.00 0.00 C ATOM 0 H LEU A 73 5.997 13.688 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 73 5.090 15.841 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.925 13.048 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.087 14.572 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 73 4.684 13.983 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.548 13.288 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.993 12.198 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.733 13.432 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.168 15.701 -6.708 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.354 15.845 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.057 16.333 -5.302 1.00 0.00 H new ATOM 1216 N ASN A 74 6.783 13.602 -1.881 1.00 0.00 N ATOM 1217 CA ASN A 74 7.289 13.123 -0.611 1.00 0.00 C ATOM 1218 C ASN A 74 8.432 14.011 -0.140 1.00 0.00 C ATOM 1219 O ASN A 74 9.197 13.630 0.744 1.00 0.00 O ATOM 1220 CB ASN A 74 7.756 11.678 -0.763 1.00 0.00 C ATOM 1221 CG ASN A 74 6.592 10.712 -0.597 1.00 0.00 C ATOM 1222 OD1 ASN A 74 5.874 10.767 0.399 1.00 0.00 O ATOM 1223 ND2 ASN A 74 6.405 9.825 -1.578 1.00 0.00 N ATOM 0 H ASN A 74 7.355 13.345 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 74 6.496 13.160 0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.212 11.540 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.524 11.460 -0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.639 9.154 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.028 9.819 -2.385 1.00 0.00 H new