USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 21 MET CE :methyl -120:sc= -1.6 (180deg=-4.94!) USER MOD Set 1.2: A 33 GLN : amide:sc= 0 K(o=-1.6,f=-6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.0707) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -147:sc= 0.54 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -127:sc= -1.6 (180deg=-4.91!) USER MOD Single : A 14 THR OG1 : rot -160:sc= -0.362 USER MOD Single : A 19 ASN : amide:sc= -0.645 K(o=-0.65,f=-6.7!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.26 F(o=-2.4,f=-0.26) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -78:sc= 0.189 USER MOD Single : A 39 MET CE :methyl 162:sc= -1.34 (180deg=-2.67!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc=-0.00113 (180deg=-0.0788) USER MOD Single : A 67 TYR OH : rot -141:sc= 0.49 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.429 8.349 4.313 1.00 0.00 N ATOM 2 CA MET A 1 -22.779 7.096 3.836 1.00 0.00 C ATOM 3 C MET A 1 -21.286 7.309 3.571 1.00 0.00 C ATOM 4 O MET A 1 -20.447 6.585 4.109 1.00 0.00 O ATOM 5 CB MET A 1 -23.486 6.625 2.558 1.00 0.00 C ATOM 6 CG MET A 1 -24.853 5.999 2.805 1.00 0.00 C ATOM 7 SD MET A 1 -25.950 6.136 1.379 1.00 0.00 S ATOM 8 CE MET A 1 -27.221 4.949 1.812 1.00 0.00 C ATOM 0 H1 MET A 1 -24.366 8.126 4.706 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.840 8.787 5.049 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.536 9.009 3.517 1.00 0.00 H new ATOM 0 HA MET A 1 -22.867 6.335 4.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.602 7.474 1.885 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.851 5.899 2.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.725 4.947 3.060 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.319 6.481 3.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.974 4.919 1.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.774 3.961 1.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.689 5.244 2.751 1.00 0.00 H new ATOM 20 N VAL A 2 -20.963 8.305 2.740 1.00 0.00 N ATOM 21 CA VAL A 2 -19.571 8.610 2.407 1.00 0.00 C ATOM 22 C VAL A 2 -19.252 10.089 2.616 1.00 0.00 C ATOM 23 O VAL A 2 -20.114 10.952 2.433 1.00 0.00 O ATOM 24 CB VAL A 2 -19.235 8.230 0.948 1.00 0.00 C ATOM 25 CG1 VAL A 2 -19.146 6.719 0.793 1.00 0.00 C ATOM 26 CG2 VAL A 2 -20.259 8.818 -0.018 1.00 0.00 C ATOM 0 H VAL A 2 -21.646 8.912 2.287 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.960 8.012 3.083 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.261 8.654 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -18.909 6.473 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.365 6.332 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.101 6.269 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.000 8.536 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.250 8.434 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.260 9.904 0.069 1.00 0.00 H new ATOM 36 N SER A 3 -18.005 10.371 3.000 1.00 0.00 N ATOM 37 CA SER A 3 -17.558 11.744 3.236 1.00 0.00 C ATOM 38 C SER A 3 -16.127 11.957 2.722 1.00 0.00 C ATOM 39 O SER A 3 -15.351 12.711 3.314 1.00 0.00 O ATOM 40 CB SER A 3 -17.635 12.071 4.733 1.00 0.00 C ATOM 41 OG SER A 3 -17.091 11.021 5.518 1.00 0.00 O ATOM 0 H SER A 3 -17.286 9.664 3.154 1.00 0.00 H new ATOM 0 HA SER A 3 -18.218 12.416 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.094 12.996 4.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.673 12.241 5.018 1.00 0.00 H new ATOM 0 HG SER A 3 -17.152 11.257 6.467 1.00 0.00 H new ATOM 47 N THR A 4 -15.785 11.290 1.616 1.00 0.00 N ATOM 48 CA THR A 4 -14.450 11.407 1.026 1.00 0.00 C ATOM 49 C THR A 4 -14.456 12.340 -0.183 1.00 0.00 C ATOM 50 O THR A 4 -15.515 12.770 -0.646 1.00 0.00 O ATOM 51 CB THR A 4 -13.917 10.028 0.615 1.00 0.00 C ATOM 52 OG1 THR A 4 -14.977 9.161 0.246 1.00 0.00 O ATOM 53 CG2 THR A 4 -13.125 9.348 1.711 1.00 0.00 C ATOM 0 H THR A 4 -16.414 10.664 1.112 1.00 0.00 H new ATOM 0 HA THR A 4 -13.793 11.832 1.785 1.00 0.00 H new ATOM 0 HB THR A 4 -13.256 10.215 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.748 8.241 0.492 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.776 8.377 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.269 9.967 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.760 9.209 2.586 1.00 0.00 H new ATOM 61 N TYR A 5 -13.262 12.648 -0.692 1.00 0.00 N ATOM 62 CA TYR A 5 -13.123 13.528 -1.851 1.00 0.00 C ATOM 63 C TYR A 5 -12.813 12.733 -3.121 1.00 0.00 C ATOM 64 O TYR A 5 -13.281 13.083 -4.206 1.00 0.00 O ATOM 65 CB TYR A 5 -12.026 14.569 -1.604 1.00 0.00 C ATOM 66 CG TYR A 5 -12.527 15.820 -0.917 1.00 0.00 C ATOM 67 CD1 TYR A 5 -13.053 16.877 -1.652 1.00 0.00 C ATOM 68 CD2 TYR A 5 -12.478 15.945 0.466 1.00 0.00 C ATOM 69 CE1 TYR A 5 -13.513 18.020 -1.029 1.00 0.00 C ATOM 70 CE2 TYR A 5 -12.936 17.086 1.096 1.00 0.00 C ATOM 71 CZ TYR A 5 -13.452 18.120 0.345 1.00 0.00 C ATOM 72 OH TYR A 5 -13.911 19.258 0.972 1.00 0.00 O ATOM 0 H TYR A 5 -12.378 12.301 -0.319 1.00 0.00 H new ATOM 0 HA TYR A 5 -14.075 14.039 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -11.240 14.120 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -11.575 14.843 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -13.102 16.802 -2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -12.075 15.137 1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -13.919 18.832 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -12.890 17.167 2.172 1.00 0.00 H new ATOM 0 HH TYR A 5 -13.797 19.166 1.941 1.00 0.00 H new ATOM 82 N ASP A 6 -12.022 11.663 -2.981 1.00 0.00 N ATOM 83 CA ASP A 6 -11.651 10.821 -4.119 1.00 0.00 C ATOM 84 C ASP A 6 -11.208 9.427 -3.660 1.00 0.00 C ATOM 85 O ASP A 6 -11.043 9.181 -2.462 1.00 0.00 O ATOM 86 CB ASP A 6 -10.533 11.485 -4.930 1.00 0.00 C ATOM 87 CG ASP A 6 -10.670 11.236 -6.421 1.00 0.00 C ATOM 88 OD1 ASP A 6 -11.553 11.859 -7.048 1.00 0.00 O ATOM 89 OD2 ASP A 6 -9.897 10.416 -6.959 1.00 0.00 O ATOM 0 H ASP A 6 -11.628 11.362 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.532 10.707 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.541 12.559 -4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.569 11.109 -4.589 1.00 0.00 H new ATOM 94 N GLU A 7 -11.017 8.521 -4.628 1.00 0.00 N ATOM 95 CA GLU A 7 -10.596 7.150 -4.338 1.00 0.00 C ATOM 96 C GLU A 7 -9.365 6.769 -5.161 1.00 0.00 C ATOM 97 O GLU A 7 -9.255 7.125 -6.335 1.00 0.00 O ATOM 98 CB GLU A 7 -11.741 6.173 -4.627 1.00 0.00 C ATOM 99 CG GLU A 7 -12.675 5.964 -3.445 1.00 0.00 C ATOM 100 CD GLU A 7 -13.966 6.750 -3.572 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.933 6.214 -4.153 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.010 7.902 -3.088 1.00 0.00 O ATOM 0 H GLU A 7 -11.149 8.717 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.334 7.092 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.318 6.543 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.321 5.211 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.908 4.903 -3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.165 6.258 -2.528 1.00 0.00 H new ATOM 109 N ILE A 8 -8.442 6.040 -4.531 1.00 0.00 N ATOM 110 CA ILE A 8 -7.210 5.604 -5.191 1.00 0.00 C ATOM 111 C ILE A 8 -7.104 4.078 -5.197 1.00 0.00 C ATOM 112 O ILE A 8 -7.697 3.407 -4.354 1.00 0.00 O ATOM 113 CB ILE A 8 -5.966 6.198 -4.493 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.140 7.705 -4.273 1.00 0.00 C ATOM 115 CG2 ILE A 8 -4.706 5.920 -5.301 1.00 0.00 C ATOM 116 CD1 ILE A 8 -6.287 8.501 -5.555 1.00 0.00 C ATOM 0 H ILE A 8 -8.525 5.738 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.248 5.965 -6.219 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.861 5.716 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.019 7.872 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.281 8.083 -3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.844 6.348 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.570 4.843 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.801 6.369 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.406 9.558 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.398 8.366 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.163 8.152 -6.101 1.00 0.00 H new ATOM 128 N GLU A 9 -6.343 3.533 -6.148 1.00 0.00 N ATOM 129 CA GLU A 9 -6.163 2.080 -6.252 1.00 0.00 C ATOM 130 C GLU A 9 -4.693 1.690 -6.102 1.00 0.00 C ATOM 131 O GLU A 9 -3.799 2.515 -6.300 1.00 0.00 O ATOM 132 CB GLU A 9 -6.690 1.552 -7.594 1.00 0.00 C ATOM 133 CG GLU A 9 -8.036 2.127 -8.013 1.00 0.00 C ATOM 134 CD GLU A 9 -8.288 1.992 -9.505 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.387 0.845 -9.992 1.00 0.00 O ATOM 136 OE2 GLU A 9 -8.389 3.034 -10.185 1.00 0.00 O ATOM 0 H GLU A 9 -5.843 4.071 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.734 1.630 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.957 1.773 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.775 0.467 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.830 1.619 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.080 3.180 -7.734 1.00 0.00 H new ATOM 143 N ILE A 10 -4.452 0.420 -5.764 1.00 0.00 N ATOM 144 CA ILE A 10 -3.090 -0.092 -5.600 1.00 0.00 C ATOM 145 C ILE A 10 -2.322 -0.081 -6.928 1.00 0.00 C ATOM 146 O ILE A 10 -1.101 0.084 -6.938 1.00 0.00 O ATOM 147 CB ILE A 10 -3.080 -1.529 -5.012 1.00 0.00 C ATOM 148 CG1 ILE A 10 -1.646 -1.969 -4.703 1.00 0.00 C ATOM 149 CG2 ILE A 10 -3.740 -2.517 -5.968 1.00 0.00 C ATOM 150 CD1 ILE A 10 -1.553 -3.042 -3.639 1.00 0.00 C ATOM 0 H ILE A 10 -5.183 -0.272 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.593 0.576 -4.896 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.653 -1.518 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.183 -2.337 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.070 -1.101 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.719 -3.515 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.774 -2.219 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.199 -2.524 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.507 -3.302 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.985 -2.671 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.100 -3.927 -3.966 1.00 0.00 H new ATOM 162 N GLU A 11 -3.039 -0.257 -8.042 1.00 0.00 N ATOM 163 CA GLU A 11 -2.415 -0.268 -9.366 1.00 0.00 C ATOM 164 C GLU A 11 -1.703 1.058 -9.658 1.00 0.00 C ATOM 165 O GLU A 11 -0.591 1.066 -10.188 1.00 0.00 O ATOM 166 CB GLU A 11 -3.462 -0.556 -10.448 1.00 0.00 C ATOM 167 CG GLU A 11 -4.023 -1.969 -10.391 1.00 0.00 C ATOM 168 CD GLU A 11 -3.247 -2.938 -11.262 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.563 -3.038 -12.467 1.00 0.00 O ATOM 170 OE2 GLU A 11 -2.322 -3.597 -10.741 1.00 0.00 O ATOM 0 H GLU A 11 -4.050 -0.393 -8.052 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.668 -1.061 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.281 0.156 -10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.015 -0.391 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.008 -2.321 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.066 -1.955 -10.708 1.00 0.00 H new ATOM 177 N ASP A 12 -2.345 2.175 -9.302 1.00 0.00 N ATOM 178 CA ASP A 12 -1.765 3.503 -9.520 1.00 0.00 C ATOM 179 C ASP A 12 -1.098 4.037 -8.245 1.00 0.00 C ATOM 180 O ASP A 12 -1.144 5.235 -7.963 1.00 0.00 O ATOM 181 CB ASP A 12 -2.838 4.483 -10.017 1.00 0.00 C ATOM 182 CG ASP A 12 -3.921 4.752 -8.986 1.00 0.00 C ATOM 183 OD1 ASP A 12 -4.751 3.849 -8.748 1.00 0.00 O ATOM 184 OD2 ASP A 12 -3.939 5.866 -8.421 1.00 0.00 O ATOM 0 H ASP A 12 -3.265 2.186 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.995 3.410 -10.286 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.363 5.425 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.297 4.083 -10.921 1.00 0.00 H new ATOM 189 N MET A 13 -0.461 3.142 -7.487 1.00 0.00 N ATOM 190 CA MET A 13 0.231 3.518 -6.257 1.00 0.00 C ATOM 191 C MET A 13 1.729 3.289 -6.421 1.00 0.00 C ATOM 192 O MET A 13 2.145 2.293 -7.018 1.00 0.00 O ATOM 193 CB MET A 13 -0.302 2.703 -5.072 1.00 0.00 C ATOM 194 CG MET A 13 -0.303 3.462 -3.752 1.00 0.00 C ATOM 195 SD MET A 13 -1.729 3.063 -2.723 1.00 0.00 S ATOM 196 CE MET A 13 -2.741 4.522 -2.963 1.00 0.00 C ATOM 0 H MET A 13 -0.411 2.147 -7.707 1.00 0.00 H new ATOM 0 HA MET A 13 0.049 4.574 -6.058 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.319 2.379 -5.294 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.302 1.803 -4.962 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.611 3.232 -3.204 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.293 4.533 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.013 4.939 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.181 5.263 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.645 4.252 -3.509 1.00 0.00 H new ATOM 206 N THR A 14 2.538 4.212 -5.904 1.00 0.00 N ATOM 207 CA THR A 14 3.988 4.095 -6.011 1.00 0.00 C ATOM 208 C THR A 14 4.494 2.907 -5.196 1.00 0.00 C ATOM 209 O THR A 14 4.814 3.042 -4.013 1.00 0.00 O ATOM 210 CB THR A 14 4.682 5.382 -5.551 1.00 0.00 C ATOM 211 OG1 THR A 14 3.971 6.530 -5.989 1.00 0.00 O ATOM 212 CG2 THR A 14 6.104 5.498 -6.058 1.00 0.00 C ATOM 0 H THR A 14 2.215 5.044 -5.410 1.00 0.00 H new ATOM 0 HA THR A 14 4.231 3.931 -7.061 1.00 0.00 H new ATOM 0 HB THR A 14 4.699 5.329 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.565 7.309 -5.972 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.543 6.429 -5.700 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.691 4.656 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.103 5.493 -7.148 1.00 0.00 H new ATOM 220 N PHE A 15 4.558 1.740 -5.836 1.00 0.00 N ATOM 221 CA PHE A 15 5.024 0.528 -5.170 1.00 0.00 C ATOM 222 C PHE A 15 6.547 0.494 -5.114 1.00 0.00 C ATOM 223 O PHE A 15 7.222 0.655 -6.132 1.00 0.00 O ATOM 224 CB PHE A 15 4.487 -0.730 -5.873 1.00 0.00 C ATOM 225 CG PHE A 15 4.973 -0.911 -7.287 1.00 0.00 C ATOM 226 CD1 PHE A 15 4.310 -0.308 -8.345 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.087 -1.689 -7.559 1.00 0.00 C ATOM 228 CE1 PHE A 15 4.750 -0.474 -9.643 1.00 0.00 C ATOM 229 CE2 PHE A 15 6.533 -1.859 -8.855 1.00 0.00 C ATOM 230 CZ PHE A 15 5.863 -1.251 -9.900 1.00 0.00 C ATOM 0 H PHE A 15 4.293 1.610 -6.812 1.00 0.00 H new ATOM 0 HA PHE A 15 4.639 0.539 -4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.771 -1.606 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.398 -0.690 -5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.438 0.299 -8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.613 -2.169 -6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.224 0.003 -10.457 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.404 -2.466 -9.052 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.209 -1.383 -10.915 1.00 0.00 H new ATOM 240 N GLU A 16 7.078 0.287 -3.913 1.00 0.00 N ATOM 241 CA GLU A 16 8.518 0.227 -3.712 1.00 0.00 C ATOM 242 C GLU A 16 8.950 -1.199 -3.401 1.00 0.00 C ATOM 243 O GLU A 16 8.917 -1.634 -2.245 1.00 0.00 O ATOM 244 CB GLU A 16 8.940 1.171 -2.586 1.00 0.00 C ATOM 245 CG GLU A 16 8.776 2.639 -2.941 1.00 0.00 C ATOM 246 CD GLU A 16 9.911 3.499 -2.419 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.852 3.908 -1.241 1.00 0.00 O ATOM 248 OE2 GLU A 16 10.856 3.765 -3.190 1.00 0.00 O ATOM 0 H GLU A 16 6.529 0.158 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 16 9.010 0.545 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.350 0.951 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.983 0.980 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.717 2.742 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.833 3.004 -2.534 1.00 0.00 H new ATOM 255 N PRO A 17 9.355 -1.952 -4.440 1.00 0.00 N ATOM 256 CA PRO A 17 9.795 -3.344 -4.293 1.00 0.00 C ATOM 257 C PRO A 17 11.159 -3.454 -3.607 1.00 0.00 C ATOM 258 O PRO A 17 12.138 -3.900 -4.210 1.00 0.00 O ATOM 259 CB PRO A 17 9.866 -3.846 -5.737 1.00 0.00 C ATOM 260 CG PRO A 17 10.116 -2.623 -6.551 1.00 0.00 C ATOM 261 CD PRO A 17 9.406 -1.503 -5.845 1.00 0.00 C ATOM 0 HA PRO A 17 9.121 -3.924 -3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.665 -4.576 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.938 -4.335 -6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.184 -2.419 -6.631 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.738 -2.746 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.945 -0.561 -5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.407 -1.343 -6.251 1.00 0.00 H new ATOM 269 N GLU A 18 11.212 -3.041 -2.343 1.00 0.00 N ATOM 270 CA GLU A 18 12.446 -3.089 -1.565 1.00 0.00 C ATOM 271 C GLU A 18 12.167 -3.524 -0.124 1.00 0.00 C ATOM 272 O GLU A 18 12.872 -4.376 0.421 1.00 0.00 O ATOM 273 CB GLU A 18 13.149 -1.723 -1.585 1.00 0.00 C ATOM 274 CG GLU A 18 12.341 -0.595 -0.954 1.00 0.00 C ATOM 275 CD GLU A 18 13.044 0.752 -1.017 1.00 0.00 C ATOM 276 OE1 GLU A 18 14.289 0.785 -0.888 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.346 1.774 -1.190 1.00 0.00 O ATOM 0 H GLU A 18 10.410 -2.668 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 18 13.105 -3.827 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.101 -1.809 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.376 -1.459 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.378 -0.519 -1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.136 -0.842 0.088 1.00 0.00 H new ATOM 284 N ASN A 19 11.135 -2.932 0.485 1.00 0.00 N ATOM 285 CA ASN A 19 10.758 -3.253 1.860 1.00 0.00 C ATOM 286 C ASN A 19 9.243 -3.443 1.999 1.00 0.00 C ATOM 287 O ASN A 19 8.690 -3.279 3.090 1.00 0.00 O ATOM 288 CB ASN A 19 11.235 -2.146 2.808 1.00 0.00 C ATOM 289 CG ASN A 19 10.669 -0.775 2.461 1.00 0.00 C ATOM 290 OD1 ASN A 19 9.865 -0.631 1.540 1.00 0.00 O ATOM 291 ND2 ASN A 19 11.092 0.244 3.201 1.00 0.00 N ATOM 0 H ASN A 19 10.546 -2.226 0.044 1.00 0.00 H new ATOM 0 HA ASN A 19 11.240 -4.193 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.950 -2.402 3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.324 -2.099 2.784 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.750 1.187 3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.759 0.084 3.956 1.00 0.00 H new ATOM 298 N GLN A 20 8.575 -3.789 0.893 1.00 0.00 N ATOM 299 CA GLN A 20 7.128 -4.000 0.896 1.00 0.00 C ATOM 300 C GLN A 20 6.386 -2.723 1.308 1.00 0.00 C ATOM 301 O GLN A 20 5.482 -2.757 2.149 1.00 0.00 O ATOM 302 CB GLN A 20 6.762 -5.158 1.830 1.00 0.00 C ATOM 303 CG GLN A 20 5.641 -6.038 1.298 1.00 0.00 C ATOM 304 CD GLN A 20 5.931 -7.517 1.461 1.00 0.00 C ATOM 305 OE1 GLN A 20 6.731 -8.067 0.556 1.00 0.00 O flip ATOM 306 NE2 GLN A 20 5.444 -8.158 2.391 1.00 0.00 N flip ATOM 0 H GLN A 20 9.017 -3.928 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 20 6.819 -4.256 -0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.647 -5.772 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.467 -4.754 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.715 -5.794 1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.481 -5.817 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.834 -7.695 3.065 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.651 -9.152 2.488 1.00 0.00 H new ATOM 315 N MET A 21 6.777 -1.598 0.709 1.00 0.00 N ATOM 316 CA MET A 21 6.157 -0.311 1.009 1.00 0.00 C ATOM 317 C MET A 21 5.420 0.238 -0.213 1.00 0.00 C ATOM 318 O MET A 21 5.878 0.083 -1.347 1.00 0.00 O ATOM 319 CB MET A 21 7.221 0.688 1.473 1.00 0.00 C ATOM 320 CG MET A 21 6.665 2.052 1.848 1.00 0.00 C ATOM 321 SD MET A 21 7.782 2.987 2.910 1.00 0.00 S ATOM 322 CE MET A 21 6.773 4.417 3.285 1.00 0.00 C ATOM 0 H MET A 21 7.521 -1.554 0.013 1.00 0.00 H new ATOM 0 HA MET A 21 5.431 -0.459 1.808 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.745 0.272 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.958 0.813 0.680 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.470 2.623 0.940 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.709 1.924 2.356 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.276 5.319 2.935 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.808 4.323 2.786 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.620 4.482 4.362 1.00 0.00 H new ATOM 332 N PHE A 22 4.278 0.885 0.030 1.00 0.00 N ATOM 333 CA PHE A 22 3.478 1.466 -1.047 1.00 0.00 C ATOM 334 C PHE A 22 3.166 2.932 -0.757 1.00 0.00 C ATOM 335 O PHE A 22 2.313 3.242 0.077 1.00 0.00 O ATOM 336 CB PHE A 22 2.176 0.677 -1.235 1.00 0.00 C ATOM 337 CG PHE A 22 2.260 -0.392 -2.292 1.00 0.00 C ATOM 338 CD1 PHE A 22 3.178 -1.425 -2.185 1.00 0.00 C ATOM 339 CD2 PHE A 22 1.415 -0.365 -3.391 1.00 0.00 C ATOM 340 CE1 PHE A 22 3.254 -2.408 -3.154 1.00 0.00 C ATOM 341 CE2 PHE A 22 1.486 -1.346 -4.363 1.00 0.00 C ATOM 342 CZ PHE A 22 2.406 -2.369 -4.243 1.00 0.00 C ATOM 0 H PHE A 22 3.888 1.019 0.963 1.00 0.00 H new ATOM 0 HA PHE A 22 4.058 1.410 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.901 0.216 -0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.376 1.370 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.842 -1.462 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.693 0.432 -3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.976 -3.206 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.823 -1.312 -5.215 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.462 -3.137 -5.000 1.00 0.00 H new ATOM 352 N THR A 23 3.865 3.829 -1.450 1.00 0.00 N ATOM 353 CA THR A 23 3.671 5.268 -1.274 1.00 0.00 C ATOM 354 C THR A 23 2.955 5.877 -2.482 1.00 0.00 C ATOM 355 O THR A 23 2.635 5.174 -3.438 1.00 0.00 O ATOM 356 CB THR A 23 5.024 5.957 -1.062 1.00 0.00 C ATOM 357 OG1 THR A 23 5.955 5.554 -2.051 1.00 0.00 O ATOM 358 CG2 THR A 23 5.639 5.668 0.291 1.00 0.00 C ATOM 0 H THR A 23 4.574 3.584 -2.141 1.00 0.00 H new ATOM 0 HA THR A 23 3.047 5.424 -0.394 1.00 0.00 H new ATOM 0 HB THR A 23 4.815 7.025 -1.128 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.811 6.006 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.594 6.186 0.375 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.968 6.015 1.077 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.798 4.595 0.397 1.00 0.00 H new ATOM 366 N TYR A 24 2.706 7.190 -2.432 1.00 0.00 N ATOM 367 CA TYR A 24 2.032 7.889 -3.530 1.00 0.00 C ATOM 368 C TYR A 24 2.022 9.401 -3.300 1.00 0.00 C ATOM 369 O TYR A 24 1.732 9.863 -2.198 1.00 0.00 O ATOM 370 CB TYR A 24 0.595 7.379 -3.694 1.00 0.00 C ATOM 371 CG TYR A 24 -0.153 8.032 -4.836 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.883 9.197 -4.635 1.00 0.00 C ATOM 373 CD2 TYR A 24 -0.128 7.486 -6.113 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.565 9.800 -5.673 1.00 0.00 C ATOM 375 CE2 TYR A 24 -0.808 8.084 -7.157 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.526 9.240 -6.932 1.00 0.00 C ATOM 377 OH TYR A 24 -2.204 9.838 -7.970 1.00 0.00 O ATOM 0 H TYR A 24 2.960 7.788 -1.646 1.00 0.00 H new ATOM 0 HA TYR A 24 2.590 7.682 -4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.617 6.301 -3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.049 7.552 -2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.918 9.638 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.432 6.580 -6.293 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.126 10.706 -5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.777 7.648 -8.145 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.072 9.317 -8.790 1.00 0.00 H new ATOM 387 N PRO A 25 2.334 10.197 -4.344 1.00 0.00 N ATOM 388 CA PRO A 25 2.354 11.662 -4.244 1.00 0.00 C ATOM 389 C PRO A 25 0.963 12.250 -4.015 1.00 0.00 C ATOM 390 O PRO A 25 0.127 12.264 -4.920 1.00 0.00 O ATOM 391 CB PRO A 25 2.908 12.109 -5.602 1.00 0.00 C ATOM 392 CG PRO A 25 2.591 10.986 -6.528 1.00 0.00 C ATOM 393 CD PRO A 25 2.686 9.735 -5.702 1.00 0.00 C ATOM 0 HA PRO A 25 2.948 12.001 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.444 13.038 -5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.982 12.290 -5.552 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.594 11.099 -6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.292 10.958 -7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.999 8.966 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.688 9.307 -5.734 1.00 0.00 H new ATOM 401 N CYS A 26 0.725 12.738 -2.799 1.00 0.00 N ATOM 402 CA CYS A 26 -0.562 13.334 -2.451 1.00 0.00 C ATOM 403 C CYS A 26 -0.753 14.660 -3.183 1.00 0.00 C ATOM 404 O CYS A 26 0.188 15.446 -3.308 1.00 0.00 O ATOM 405 CB CYS A 26 -0.660 13.558 -0.937 1.00 0.00 C ATOM 406 SG CYS A 26 -2.267 14.211 -0.376 1.00 0.00 S ATOM 0 H CYS A 26 1.406 12.732 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.349 12.645 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.468 12.613 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.126 14.249 -0.632 1.00 0.00 H new ATOM 411 N PRO A 27 -1.980 14.927 -3.677 1.00 0.00 N ATOM 412 CA PRO A 27 -2.298 16.167 -4.398 1.00 0.00 C ATOM 413 C PRO A 27 -1.881 17.428 -3.636 1.00 0.00 C ATOM 414 O PRO A 27 -1.616 18.464 -4.248 1.00 0.00 O ATOM 415 CB PRO A 27 -3.820 16.113 -4.540 1.00 0.00 C ATOM 416 CG PRO A 27 -4.148 14.663 -4.512 1.00 0.00 C ATOM 417 CD PRO A 27 -3.154 14.038 -3.572 1.00 0.00 C ATOM 0 HA PRO A 27 -1.762 16.226 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.313 16.647 -3.728 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.148 16.576 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.169 14.499 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.074 14.226 -5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.537 13.996 -2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.912 13.016 -3.864 1.00 0.00 H new ATOM 425 N CYS A 28 -1.827 17.339 -2.302 1.00 0.00 N ATOM 426 CA CYS A 28 -1.444 18.481 -1.473 1.00 0.00 C ATOM 427 C CYS A 28 0.044 18.813 -1.633 1.00 0.00 C ATOM 428 O CYS A 28 0.423 19.988 -1.655 1.00 0.00 O ATOM 429 CB CYS A 28 -1.779 18.213 0.001 1.00 0.00 C ATOM 430 SG CYS A 28 -0.447 17.410 0.951 1.00 0.00 S ATOM 0 H CYS A 28 -2.043 16.491 -1.778 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.017 19.345 -1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.029 19.159 0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.670 17.586 0.049 1.00 0.00 H new ATOM 435 N GLY A 29 0.881 17.779 -1.741 1.00 0.00 N ATOM 436 CA GLY A 29 2.312 17.990 -1.893 1.00 0.00 C ATOM 437 C GLY A 29 3.142 16.855 -1.316 1.00 0.00 C ATOM 438 O GLY A 29 4.116 16.419 -1.934 1.00 0.00 O ATOM 0 H GLY A 29 0.592 16.801 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.547 18.104 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.591 18.923 -1.403 1.00 0.00 H new ATOM 442 N ASP A 30 2.762 16.381 -0.129 1.00 0.00 N ATOM 443 CA ASP A 30 3.482 15.292 0.535 1.00 0.00 C ATOM 444 C ASP A 30 3.259 13.957 -0.189 1.00 0.00 C ATOM 445 O ASP A 30 2.639 13.915 -1.254 1.00 0.00 O ATOM 446 CB ASP A 30 3.038 15.189 1.998 1.00 0.00 C ATOM 447 CG ASP A 30 4.182 14.843 2.932 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.121 15.660 3.052 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.141 13.754 3.544 1.00 0.00 O ATOM 0 H ASP A 30 1.960 16.734 0.393 1.00 0.00 H new ATOM 0 HA ASP A 30 4.548 15.515 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.595 16.136 2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.260 14.430 2.085 1.00 0.00 H new ATOM 454 N ARG A 31 3.772 12.867 0.388 1.00 0.00 N ATOM 455 CA ARG A 31 3.629 11.543 -0.212 1.00 0.00 C ATOM 456 C ARG A 31 3.041 10.541 0.782 1.00 0.00 C ATOM 457 O ARG A 31 3.603 10.316 1.856 1.00 0.00 O ATOM 458 CB ARG A 31 4.986 11.040 -0.715 1.00 0.00 C ATOM 459 CG ARG A 31 4.882 10.116 -1.921 1.00 0.00 C ATOM 460 CD ARG A 31 6.236 9.886 -2.577 1.00 0.00 C ATOM 461 NE ARG A 31 6.719 11.076 -3.283 1.00 0.00 N ATOM 462 CZ ARG A 31 7.991 11.271 -3.638 1.00 0.00 C ATOM 463 NH1 ARG A 31 8.917 10.353 -3.372 1.00 0.00 N ATOM 464 NH2 ARG A 31 8.340 12.387 -4.269 1.00 0.00 N ATOM 0 H ARG A 31 4.288 12.878 1.268 1.00 0.00 H new ATOM 0 HA ARG A 31 2.941 11.632 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.608 11.896 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.492 10.513 0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.462 9.159 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.194 10.545 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.962 9.597 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.161 9.055 -3.278 1.00 0.00 H new ATOM 0 HE ARG A 31 6.041 11.801 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.658 9.491 -2.893 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.886 10.512 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.636 13.094 -4.482 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.312 12.537 -4.541 1.00 0.00 H new ATOM 478 N PHE A 32 1.910 9.937 0.407 1.00 0.00 N ATOM 479 CA PHE A 32 1.239 8.947 1.252 1.00 0.00 C ATOM 480 C PHE A 32 2.139 7.736 1.490 1.00 0.00 C ATOM 481 O PHE A 32 3.015 7.438 0.676 1.00 0.00 O ATOM 482 CB PHE A 32 -0.072 8.493 0.602 1.00 0.00 C ATOM 483 CG PHE A 32 -1.285 9.233 1.096 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.896 8.876 2.288 1.00 0.00 C ATOM 485 CD2 PHE A 32 -1.816 10.285 0.365 1.00 0.00 C ATOM 486 CE1 PHE A 32 -3.015 9.550 2.740 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.934 10.963 0.813 1.00 0.00 C ATOM 488 CZ PHE A 32 -3.534 10.596 2.002 1.00 0.00 C ATOM 0 H PHE A 32 1.439 10.118 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 32 1.021 9.416 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.005 8.622 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.208 7.427 0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.493 8.061 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.351 10.578 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.483 9.259 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.339 11.780 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.407 11.126 2.354 1.00 0.00 H new ATOM 498 N GLN A 33 1.917 7.040 2.609 1.00 0.00 N ATOM 499 CA GLN A 33 2.713 5.861 2.947 1.00 0.00 C ATOM 500 C GLN A 33 1.860 4.782 3.612 1.00 0.00 C ATOM 501 O GLN A 33 1.244 5.020 4.654 1.00 0.00 O ATOM 502 CB GLN A 33 3.872 6.244 3.875 1.00 0.00 C ATOM 503 CG GLN A 33 4.619 7.495 3.443 1.00 0.00 C ATOM 504 CD GLN A 33 5.703 7.895 4.424 1.00 0.00 C ATOM 505 OE1 GLN A 33 6.824 7.391 4.366 1.00 0.00 O ATOM 506 NE2 GLN A 33 5.376 8.805 5.336 1.00 0.00 N ATOM 0 H GLN A 33 1.196 7.273 3.292 1.00 0.00 H new ATOM 0 HA GLN A 33 3.112 5.459 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.484 6.394 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.575 5.412 3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.065 7.327 2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.911 8.317 3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.435 9.198 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.066 9.110 6.022 1.00 0.00 H new ATOM 515 N ILE A 34 1.838 3.594 3.007 1.00 0.00 N ATOM 516 CA ILE A 34 1.072 2.470 3.543 1.00 0.00 C ATOM 517 C ILE A 34 1.717 1.136 3.157 1.00 0.00 C ATOM 518 O ILE A 34 1.918 0.850 1.974 1.00 0.00 O ATOM 519 CB ILE A 34 -0.400 2.498 3.062 1.00 0.00 C ATOM 520 CG1 ILE A 34 -1.207 1.378 3.731 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.479 2.383 1.545 1.00 0.00 C ATOM 522 CD1 ILE A 34 -2.643 1.759 4.024 1.00 0.00 C ATOM 0 H ILE A 34 2.342 3.386 2.145 1.00 0.00 H new ATOM 0 HA ILE A 34 1.078 2.568 4.629 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.833 3.455 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.197 0.499 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.717 1.095 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.523 2.405 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.054 3.217 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.025 1.445 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.153 0.920 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.662 2.619 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.149 2.013 3.093 1.00 0.00 H new ATOM 534 N TYR A 35 2.044 0.326 4.163 1.00 0.00 N ATOM 535 CA TYR A 35 2.668 -0.976 3.931 1.00 0.00 C ATOM 536 C TYR A 35 1.619 -2.026 3.569 1.00 0.00 C ATOM 537 O TYR A 35 0.435 -1.863 3.873 1.00 0.00 O ATOM 538 CB TYR A 35 3.445 -1.420 5.173 1.00 0.00 C ATOM 539 CG TYR A 35 4.786 -0.738 5.327 1.00 0.00 C ATOM 540 CD1 TYR A 35 4.879 0.552 5.835 1.00 0.00 C ATOM 541 CD2 TYR A 35 5.960 -1.385 4.963 1.00 0.00 C ATOM 542 CE1 TYR A 35 6.103 1.176 5.977 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.187 -0.768 5.102 1.00 0.00 C ATOM 544 CZ TYR A 35 7.255 0.512 5.609 1.00 0.00 C ATOM 545 OH TYR A 35 8.477 1.128 5.750 1.00 0.00 O ATOM 0 H TYR A 35 1.887 0.548 5.146 1.00 0.00 H new ATOM 0 HA TYR A 35 3.359 -0.877 3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.842 -1.220 6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.599 -2.498 5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.979 1.075 6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.912 -2.388 4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.158 2.179 6.374 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.090 -1.286 4.815 1.00 0.00 H new ATOM 0 HH TYR A 35 8.607 1.767 5.019 1.00 0.00 H new ATOM 555 N LEU A 36 2.060 -3.106 2.921 1.00 0.00 N ATOM 556 CA LEU A 36 1.157 -4.186 2.521 1.00 0.00 C ATOM 557 C LEU A 36 0.461 -4.794 3.741 1.00 0.00 C ATOM 558 O LEU A 36 -0.727 -5.114 3.688 1.00 0.00 O ATOM 559 CB LEU A 36 1.920 -5.277 1.756 1.00 0.00 C ATOM 560 CG LEU A 36 2.232 -4.960 0.287 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.951 -4.875 -0.531 1.00 0.00 C ATOM 562 CD2 LEU A 36 3.029 -3.667 0.172 1.00 0.00 C ATOM 0 H LEU A 36 3.035 -3.256 2.663 1.00 0.00 H new ATOM 0 HA LEU A 36 0.399 -3.761 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.859 -5.471 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.338 -6.198 1.795 1.00 0.00 H new ATOM 0 HG LEU A 36 2.839 -5.772 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.196 -4.649 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.424 -5.828 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.314 -4.087 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.239 -3.461 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.451 -2.845 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.968 -3.768 0.717 1.00 0.00 H new ATOM 574 N ASP A 37 1.207 -4.941 4.841 1.00 0.00 N ATOM 575 CA ASP A 37 0.654 -5.502 6.078 1.00 0.00 C ATOM 576 C ASP A 37 -0.514 -4.656 6.589 1.00 0.00 C ATOM 577 O ASP A 37 -1.537 -5.199 7.013 1.00 0.00 O ATOM 578 CB ASP A 37 1.732 -5.617 7.165 1.00 0.00 C ATOM 579 CG ASP A 37 2.581 -4.364 7.297 1.00 0.00 C ATOM 580 OD1 ASP A 37 2.187 -3.457 8.058 1.00 0.00 O ATOM 581 OD2 ASP A 37 3.640 -4.294 6.639 1.00 0.00 O ATOM 0 H ASP A 37 2.191 -4.680 4.900 1.00 0.00 H new ATOM 0 HA ASP A 37 0.287 -6.502 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.254 -5.827 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.379 -6.465 6.939 1.00 0.00 H new ATOM 586 N ASP A 38 -0.358 -3.330 6.540 1.00 0.00 N ATOM 587 CA ASP A 38 -1.405 -2.413 6.993 1.00 0.00 C ATOM 588 C ASP A 38 -2.694 -2.643 6.206 1.00 0.00 C ATOM 589 O ASP A 38 -3.779 -2.728 6.782 1.00 0.00 O ATOM 590 CB ASP A 38 -0.957 -0.954 6.834 1.00 0.00 C ATOM 591 CG ASP A 38 0.097 -0.546 7.848 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.210 -0.543 9.059 1.00 0.00 O ATOM 593 OD2 ASP A 38 1.229 -0.224 7.428 1.00 0.00 O ATOM 0 H ASP A 38 0.483 -2.869 6.191 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.591 -2.611 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.562 -0.808 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.823 -0.300 6.935 1.00 0.00 H new ATOM 598 N MET A 39 -2.560 -2.753 4.882 1.00 0.00 N ATOM 599 CA MET A 39 -3.708 -2.985 4.007 1.00 0.00 C ATOM 600 C MET A 39 -4.393 -4.309 4.349 1.00 0.00 C ATOM 601 O MET A 39 -5.617 -4.419 4.269 1.00 0.00 O ATOM 602 CB MET A 39 -3.274 -2.987 2.536 1.00 0.00 C ATOM 603 CG MET A 39 -2.560 -1.716 2.101 1.00 0.00 C ATOM 604 SD MET A 39 -3.692 -0.455 1.484 1.00 0.00 S ATOM 605 CE MET A 39 -3.271 -0.444 -0.257 1.00 0.00 C ATOM 0 H MET A 39 -1.667 -2.685 4.394 1.00 0.00 H new ATOM 0 HA MET A 39 -4.419 -2.174 4.164 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.616 -3.839 2.363 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.153 -3.131 1.908 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.999 -1.313 2.944 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.836 -1.959 1.324 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.074 0.030 -0.822 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.346 0.113 -0.404 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.137 -1.468 -0.605 1.00 0.00 H new ATOM 615 N PHE A 40 -3.596 -5.311 4.732 1.00 0.00 N ATOM 616 CA PHE A 40 -4.126 -6.628 5.088 1.00 0.00 C ATOM 617 C PHE A 40 -5.201 -6.520 6.171 1.00 0.00 C ATOM 618 O PHE A 40 -6.258 -7.143 6.066 1.00 0.00 O ATOM 619 CB PHE A 40 -2.998 -7.548 5.567 1.00 0.00 C ATOM 620 CG PHE A 40 -3.111 -8.960 5.061 1.00 0.00 C ATOM 621 CD1 PHE A 40 -4.237 -9.725 5.327 1.00 0.00 C ATOM 622 CD2 PHE A 40 -2.085 -9.524 4.320 1.00 0.00 C ATOM 623 CE1 PHE A 40 -4.336 -11.024 4.862 1.00 0.00 C ATOM 624 CE2 PHE A 40 -2.178 -10.821 3.854 1.00 0.00 C ATOM 625 CZ PHE A 40 -3.304 -11.572 4.125 1.00 0.00 C ATOM 0 H PHE A 40 -2.581 -5.234 4.803 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.581 -7.054 4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.042 -7.133 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.991 -7.562 6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.046 -9.302 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.201 -8.942 4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.219 -11.609 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.370 -11.247 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.378 -12.586 3.761 1.00 0.00 H new ATOM 635 N GLU A 41 -4.926 -5.726 7.209 1.00 0.00 N ATOM 636 CA GLU A 41 -5.876 -5.539 8.307 1.00 0.00 C ATOM 637 C GLU A 41 -7.179 -4.922 7.801 1.00 0.00 C ATOM 638 O GLU A 41 -8.268 -5.386 8.143 1.00 0.00 O ATOM 639 CB GLU A 41 -5.270 -4.651 9.399 1.00 0.00 C ATOM 640 CG GLU A 41 -4.262 -5.372 10.282 1.00 0.00 C ATOM 641 CD GLU A 41 -3.162 -4.454 10.781 1.00 0.00 C ATOM 642 OE1 GLU A 41 -2.332 -4.017 9.955 1.00 0.00 O ATOM 643 OE2 GLU A 41 -3.129 -4.173 11.997 1.00 0.00 O ATOM 0 H GLU A 41 -4.056 -5.204 7.312 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.096 -6.520 8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.784 -3.795 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.073 -4.259 10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.780 -5.810 11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.817 -6.195 9.722 1.00 0.00 H new ATOM 650 N GLY A 42 -7.056 -3.877 6.983 1.00 0.00 N ATOM 651 CA GLY A 42 -8.227 -3.213 6.437 1.00 0.00 C ATOM 652 C GLY A 42 -8.159 -1.703 6.575 1.00 0.00 C ATOM 653 O GLY A 42 -9.086 -1.081 7.096 1.00 0.00 O ATOM 0 H GLY A 42 -6.164 -3.479 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.330 -3.474 5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.119 -3.581 6.945 1.00 0.00 H new ATOM 657 N GLU A 43 -7.059 -1.113 6.106 1.00 0.00 N ATOM 658 CA GLU A 43 -6.876 0.331 6.182 1.00 0.00 C ATOM 659 C GLU A 43 -7.046 0.981 4.812 1.00 0.00 C ATOM 660 O GLU A 43 -6.106 1.036 4.015 1.00 0.00 O ATOM 661 CB GLU A 43 -5.499 0.666 6.760 1.00 0.00 C ATOM 662 CG GLU A 43 -5.538 1.016 8.239 1.00 0.00 C ATOM 663 CD GLU A 43 -5.338 -0.195 9.130 1.00 0.00 C ATOM 664 OE1 GLU A 43 -4.229 -0.771 9.111 1.00 0.00 O ATOM 665 OE2 GLU A 43 -6.291 -0.568 9.848 1.00 0.00 O ATOM 0 H GLU A 43 -6.285 -1.614 5.671 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.643 0.731 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.834 -0.185 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.074 1.503 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.764 1.753 8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.496 1.481 8.474 1.00 0.00 H new ATOM 672 N LYS A 44 -8.254 1.475 4.550 1.00 0.00 N ATOM 673 CA LYS A 44 -8.561 2.133 3.282 1.00 0.00 C ATOM 674 C LYS A 44 -8.663 3.651 3.460 1.00 0.00 C ATOM 675 O LYS A 44 -8.316 4.409 2.553 1.00 0.00 O ATOM 676 CB LYS A 44 -9.864 1.582 2.689 1.00 0.00 C ATOM 677 CG LYS A 44 -11.077 1.747 3.592 1.00 0.00 C ATOM 678 CD LYS A 44 -12.318 1.126 2.970 1.00 0.00 C ATOM 679 CE LYS A 44 -12.527 -0.304 3.446 1.00 0.00 C ATOM 680 NZ LYS A 44 -13.970 -0.634 3.616 1.00 0.00 N ATOM 0 H LYS A 44 -9.038 1.432 5.201 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.745 1.923 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.059 2.083 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.731 0.523 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.880 1.282 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.253 2.806 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.192 1.726 3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.227 1.139 1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.080 -0.993 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.008 -0.449 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.065 -1.617 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.392 0.006 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.461 -0.521 2.706 1.00 0.00 H new ATOM 694 N VAL A 45 -9.138 4.086 4.632 1.00 0.00 N ATOM 695 CA VAL A 45 -9.285 5.511 4.923 1.00 0.00 C ATOM 696 C VAL A 45 -7.985 6.093 5.489 1.00 0.00 C ATOM 697 O VAL A 45 -7.872 6.373 6.686 1.00 0.00 O ATOM 698 CB VAL A 45 -10.462 5.770 5.896 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.244 5.061 7.228 1.00 0.00 C ATOM 700 CG2 VAL A 45 -10.676 7.267 6.097 1.00 0.00 C ATOM 0 H VAL A 45 -9.426 3.470 5.392 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.507 6.015 3.982 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.366 5.356 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.087 5.262 7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.163 3.987 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.326 5.426 7.689 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.507 7.427 6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.772 7.711 6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.902 7.734 5.139 1.00 0.00 H new ATOM 710 N ALA A 46 -7.002 6.271 4.611 1.00 0.00 N ATOM 711 CA ALA A 46 -5.706 6.814 5.002 1.00 0.00 C ATOM 712 C ALA A 46 -5.752 8.337 5.089 1.00 0.00 C ATOM 713 O ALA A 46 -6.315 9.002 4.216 1.00 0.00 O ATOM 714 CB ALA A 46 -4.635 6.369 4.019 1.00 0.00 C ATOM 0 H ALA A 46 -7.080 6.046 3.619 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.459 6.430 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.671 6.780 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.579 5.280 4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.886 6.727 3.021 1.00 0.00 H new ATOM 720 N VAL A 47 -5.154 8.884 6.147 1.00 0.00 N ATOM 721 CA VAL A 47 -5.126 10.330 6.350 1.00 0.00 C ATOM 722 C VAL A 47 -3.721 10.892 6.149 1.00 0.00 C ATOM 723 O VAL A 47 -2.764 10.438 6.779 1.00 0.00 O ATOM 724 CB VAL A 47 -5.637 10.723 7.755 1.00 0.00 C ATOM 725 CG1 VAL A 47 -7.149 10.573 7.833 1.00 0.00 C ATOM 726 CG2 VAL A 47 -4.955 9.897 8.840 1.00 0.00 C ATOM 0 H VAL A 47 -4.683 8.347 6.875 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.794 10.760 5.603 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.384 11.769 7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.492 10.854 8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.618 11.221 7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.423 9.537 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.334 10.196 9.817 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.164 8.840 8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.879 10.064 8.802 1.00 0.00 H new ATOM 736 N CYS A 48 -3.607 11.884 5.267 1.00 0.00 N ATOM 737 CA CYS A 48 -2.319 12.515 4.980 1.00 0.00 C ATOM 738 C CYS A 48 -1.829 13.322 6.182 1.00 0.00 C ATOM 739 O CYS A 48 -2.602 14.058 6.800 1.00 0.00 O ATOM 740 CB CYS A 48 -2.431 13.427 3.754 1.00 0.00 C ATOM 741 SG CYS A 48 -0.886 14.285 3.303 1.00 0.00 S ATOM 0 H CYS A 48 -4.390 12.268 4.739 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.597 11.726 4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.762 12.831 2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.204 14.172 3.941 1.00 0.00 H new ATOM 746 N PRO A 49 -0.531 13.199 6.529 1.00 0.00 N ATOM 747 CA PRO A 49 0.059 13.924 7.656 1.00 0.00 C ATOM 748 C PRO A 49 0.505 15.348 7.293 1.00 0.00 C ATOM 749 O PRO A 49 1.334 15.939 7.990 1.00 0.00 O ATOM 750 CB PRO A 49 1.262 13.053 8.014 1.00 0.00 C ATOM 751 CG PRO A 49 1.696 12.457 6.716 1.00 0.00 C ATOM 752 CD PRO A 49 0.463 12.344 5.851 1.00 0.00 C ATOM 0 HA PRO A 49 -0.652 14.069 8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.059 13.644 8.465 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.992 12.281 8.734 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.448 13.083 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.149 11.478 6.873 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.656 12.686 4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.119 11.312 5.780 1.00 0.00 H new ATOM 760 N SER A 50 -0.050 15.894 6.207 1.00 0.00 N ATOM 761 CA SER A 50 0.285 17.243 5.760 1.00 0.00 C ATOM 762 C SER A 50 -0.983 18.067 5.542 1.00 0.00 C ATOM 763 O SER A 50 -1.157 19.123 6.152 1.00 0.00 O ATOM 764 CB SER A 50 1.114 17.194 4.472 1.00 0.00 C ATOM 765 OG SER A 50 2.004 18.296 4.397 1.00 0.00 O ATOM 0 H SER A 50 -0.736 15.418 5.621 1.00 0.00 H new ATOM 0 HA SER A 50 0.880 17.721 6.538 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.679 16.263 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.450 17.199 3.608 1.00 0.00 H new ATOM 0 HG SER A 50 2.523 18.242 3.567 1.00 0.00 H new ATOM 771 N CYS A 51 -1.868 17.574 4.672 1.00 0.00 N ATOM 772 CA CYS A 51 -3.124 18.268 4.379 1.00 0.00 C ATOM 773 C CYS A 51 -4.280 17.730 5.231 1.00 0.00 C ATOM 774 O CYS A 51 -5.279 18.423 5.434 1.00 0.00 O ATOM 775 CB CYS A 51 -3.469 18.149 2.891 1.00 0.00 C ATOM 776 SG CYS A 51 -3.980 16.482 2.363 1.00 0.00 S ATOM 0 H CYS A 51 -1.739 16.701 4.160 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.983 19.319 4.630 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.270 18.851 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.601 18.452 2.305 1.00 0.00 H new ATOM 781 N SER A 52 -4.141 16.493 5.723 1.00 0.00 N ATOM 782 CA SER A 52 -5.175 15.867 6.547 1.00 0.00 C ATOM 783 C SER A 52 -6.437 15.586 5.723 1.00 0.00 C ATOM 784 O SER A 52 -7.560 15.789 6.192 1.00 0.00 O ATOM 785 CB SER A 52 -5.507 16.755 7.753 1.00 0.00 C ATOM 786 OG SER A 52 -5.931 15.978 8.859 1.00 0.00 O ATOM 0 H SER A 52 -3.321 15.908 5.563 1.00 0.00 H new ATOM 0 HA SER A 52 -4.790 14.914 6.911 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.630 17.339 8.030 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.289 17.464 7.482 1.00 0.00 H new ATOM 0 HG SER A 52 -6.135 16.568 9.614 1.00 0.00 H new ATOM 792 N LEU A 53 -6.241 15.112 4.491 1.00 0.00 N ATOM 793 CA LEU A 53 -7.353 14.798 3.599 1.00 0.00 C ATOM 794 C LEU A 53 -7.707 13.313 3.673 1.00 0.00 C ATOM 795 O LEU A 53 -6.824 12.452 3.644 1.00 0.00 O ATOM 796 CB LEU A 53 -7.000 15.188 2.160 1.00 0.00 C ATOM 797 CG LEU A 53 -8.083 14.894 1.119 1.00 0.00 C ATOM 798 CD1 LEU A 53 -9.050 16.063 1.006 1.00 0.00 C ATOM 799 CD2 LEU A 53 -7.451 14.586 -0.230 1.00 0.00 C ATOM 0 H LEU A 53 -5.320 14.938 4.090 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.223 15.372 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.775 16.254 2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.090 14.663 1.871 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.646 14.019 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.812 15.834 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.526 16.236 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.505 16.958 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.234 14.379 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.864 15.443 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.802 13.715 -0.137 1.00 0.00 H new ATOM 811 N MET A 54 -9.006 13.019 3.772 1.00 0.00 N ATOM 812 CA MET A 54 -9.479 11.638 3.852 1.00 0.00 C ATOM 813 C MET A 54 -9.661 11.040 2.458 1.00 0.00 C ATOM 814 O MET A 54 -10.262 11.662 1.578 1.00 0.00 O ATOM 815 CB MET A 54 -10.800 11.563 4.627 1.00 0.00 C ATOM 816 CG MET A 54 -10.644 11.712 6.134 1.00 0.00 C ATOM 817 SD MET A 54 -12.223 11.630 7.004 1.00 0.00 S ATOM 818 CE MET A 54 -11.863 12.603 8.464 1.00 0.00 C ATOM 0 H MET A 54 -9.747 13.719 3.799 1.00 0.00 H new ATOM 0 HA MET A 54 -8.724 11.058 4.383 1.00 0.00 H new ATOM 0 HB2 MET A 54 -11.468 12.343 4.262 1.00 0.00 H new ATOM 0 HB3 MET A 54 -11.280 10.608 4.415 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.986 10.927 6.507 1.00 0.00 H new ATOM 0 HG3 MET A 54 -10.161 12.664 6.354 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.746 12.644 9.101 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.040 12.145 9.013 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.583 13.614 8.168 1.00 0.00 H new ATOM 828 N ILE A 55 -9.135 9.830 2.267 1.00 0.00 N ATOM 829 CA ILE A 55 -9.231 9.137 0.982 1.00 0.00 C ATOM 830 C ILE A 55 -9.449 7.636 1.175 1.00 0.00 C ATOM 831 O ILE A 55 -8.839 7.025 2.052 1.00 0.00 O ATOM 832 CB ILE A 55 -7.956 9.346 0.131 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.713 8.884 0.903 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.820 10.804 -0.287 1.00 0.00 C ATOM 835 CD1 ILE A 55 -6.274 7.476 0.558 1.00 0.00 C ATOM 0 H ILE A 55 -8.637 9.308 2.988 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.088 9.565 0.461 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.043 8.742 -0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.892 9.572 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.918 8.940 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.917 10.928 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.689 11.096 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.757 11.433 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.390 7.217 1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.078 6.777 0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.037 7.419 -0.504 1.00 0.00 H new ATOM 847 N ASP A 56 -10.313 7.050 0.344 1.00 0.00 N ATOM 848 CA ASP A 56 -10.599 5.617 0.416 1.00 0.00 C ATOM 849 C ASP A 56 -9.859 4.864 -0.685 1.00 0.00 C ATOM 850 O ASP A 56 -10.322 4.801 -1.826 1.00 0.00 O ATOM 851 CB ASP A 56 -12.104 5.350 0.299 1.00 0.00 C ATOM 852 CG ASP A 56 -12.918 6.032 1.386 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.424 6.136 2.532 1.00 0.00 O ATOM 854 OD2 ASP A 56 -14.053 6.460 1.092 1.00 0.00 O ATOM 0 H ASP A 56 -10.826 7.545 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.254 5.260 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.453 5.692 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.280 4.275 0.342 1.00 0.00 H new ATOM 859 N VAL A 57 -8.708 4.295 -0.338 1.00 0.00 N ATOM 860 CA VAL A 57 -7.909 3.545 -1.301 1.00 0.00 C ATOM 861 C VAL A 57 -8.363 2.088 -1.377 1.00 0.00 C ATOM 862 O VAL A 57 -8.644 1.457 -0.354 1.00 0.00 O ATOM 863 CB VAL A 57 -6.402 3.601 -0.963 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.124 2.957 0.388 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.580 2.937 -2.060 1.00 0.00 C ATOM 0 H VAL A 57 -8.309 4.339 0.600 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.062 4.017 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.106 4.648 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.057 3.009 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.677 3.486 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.439 1.914 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.522 2.987 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.880 1.894 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.749 3.454 -3.005 1.00 0.00 H new ATOM 875 N VAL A 58 -8.430 1.562 -2.597 1.00 0.00 N ATOM 876 CA VAL A 58 -8.845 0.183 -2.819 1.00 0.00 C ATOM 877 C VAL A 58 -7.643 -0.700 -3.159 1.00 0.00 C ATOM 878 O VAL A 58 -6.803 -0.335 -3.985 1.00 0.00 O ATOM 879 CB VAL A 58 -9.909 0.090 -3.936 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.349 0.564 -5.271 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.447 -1.329 -4.048 1.00 0.00 C ATOM 0 H VAL A 58 -8.201 2.074 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.292 -0.178 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.735 0.750 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.120 0.487 -6.037 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.028 1.602 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.498 -0.057 -5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.195 -1.373 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.629 -2.011 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.903 -1.621 -3.102 1.00 0.00 H new ATOM 891 N PHE A 59 -7.565 -1.858 -2.505 1.00 0.00 N ATOM 892 CA PHE A 59 -6.464 -2.796 -2.719 1.00 0.00 C ATOM 893 C PHE A 59 -6.987 -4.222 -2.920 1.00 0.00 C ATOM 894 O PHE A 59 -8.191 -4.469 -2.824 1.00 0.00 O ATOM 895 CB PHE A 59 -5.502 -2.752 -1.527 1.00 0.00 C ATOM 896 CG PHE A 59 -6.180 -2.961 -0.199 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.401 -4.239 0.290 1.00 0.00 C ATOM 898 CD2 PHE A 59 -6.597 -1.878 0.559 1.00 0.00 C ATOM 899 CE1 PHE A 59 -7.027 -4.433 1.506 1.00 0.00 C ATOM 900 CE2 PHE A 59 -7.224 -2.065 1.776 1.00 0.00 C ATOM 901 CZ PHE A 59 -7.438 -3.345 2.251 1.00 0.00 C ATOM 0 H PHE A 59 -8.254 -2.170 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.932 -2.499 -3.623 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.737 -3.517 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.992 -1.789 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.080 -5.094 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.430 -0.875 0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.195 -5.434 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.546 -1.212 2.355 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.926 -3.494 3.203 1.00 0.00 H new ATOM 911 N ASP A 60 -6.072 -5.157 -3.197 1.00 0.00 N ATOM 912 CA ASP A 60 -6.442 -6.556 -3.410 1.00 0.00 C ATOM 913 C ASP A 60 -5.717 -7.481 -2.433 1.00 0.00 C ATOM 914 O ASP A 60 -4.576 -7.220 -2.043 1.00 0.00 O ATOM 915 CB ASP A 60 -6.124 -6.980 -4.846 1.00 0.00 C ATOM 916 CG ASP A 60 -7.083 -8.035 -5.364 1.00 0.00 C ATOM 917 OD1 ASP A 60 -6.982 -9.200 -4.920 1.00 0.00 O ATOM 918 OD2 ASP A 60 -7.934 -7.698 -6.213 1.00 0.00 O ATOM 0 H ASP A 60 -5.073 -4.969 -3.278 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.514 -6.641 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.163 -6.107 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.105 -7.366 -4.891 1.00 0.00 H new ATOM 923 N LYS A 61 -6.386 -8.571 -2.055 1.00 0.00 N ATOM 924 CA LYS A 61 -5.810 -9.550 -1.134 1.00 0.00 C ATOM 925 C LYS A 61 -4.922 -10.542 -1.882 1.00 0.00 C ATOM 926 O LYS A 61 -3.862 -10.931 -1.385 1.00 0.00 O ATOM 927 CB LYS A 61 -6.915 -10.299 -0.383 1.00 0.00 C ATOM 928 CG LYS A 61 -6.560 -10.613 1.062 1.00 0.00 C ATOM 929 CD LYS A 61 -7.727 -11.253 1.800 1.00 0.00 C ATOM 930 CE LYS A 61 -7.266 -11.975 3.060 1.00 0.00 C ATOM 931 NZ LYS A 61 -6.551 -13.248 2.754 1.00 0.00 N ATOM 0 H LYS A 61 -7.328 -8.798 -2.373 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.197 -9.011 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.827 -9.702 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.132 -11.230 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.701 -11.283 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.265 -9.696 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.455 -10.486 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.233 -11.958 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.608 -11.320 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.129 -12.188 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.422 -13.793 3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.111 -13.807 2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.622 -13.033 2.340 1.00 0.00 H new ATOM 945 N GLU A 62 -5.355 -10.943 -3.080 1.00 0.00 N ATOM 946 CA GLU A 62 -4.590 -11.882 -3.898 1.00 0.00 C ATOM 947 C GLU A 62 -3.213 -11.307 -4.221 1.00 0.00 C ATOM 948 O GLU A 62 -2.206 -12.015 -4.159 1.00 0.00 O ATOM 949 CB GLU A 62 -5.341 -12.207 -5.194 1.00 0.00 C ATOM 950 CG GLU A 62 -6.322 -13.363 -5.058 1.00 0.00 C ATOM 951 CD GLU A 62 -6.909 -13.798 -6.388 1.00 0.00 C ATOM 952 OE1 GLU A 62 -6.186 -14.445 -7.175 1.00 0.00 O ATOM 953 OE2 GLU A 62 -8.094 -13.495 -6.641 1.00 0.00 O ATOM 0 H GLU A 62 -6.230 -10.632 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.463 -12.804 -3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.882 -11.320 -5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.617 -12.446 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.816 -14.210 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.130 -13.070 -4.388 1.00 0.00 H new ATOM 960 N ASP A 63 -3.177 -10.015 -4.554 1.00 0.00 N ATOM 961 CA ASP A 63 -1.923 -9.340 -4.873 1.00 0.00 C ATOM 962 C ASP A 63 -1.006 -9.295 -3.653 1.00 0.00 C ATOM 963 O ASP A 63 0.188 -9.561 -3.763 1.00 0.00 O ATOM 964 CB ASP A 63 -2.186 -7.918 -5.377 1.00 0.00 C ATOM 965 CG ASP A 63 -2.480 -7.874 -6.864 1.00 0.00 C ATOM 966 OD1 ASP A 63 -1.535 -8.049 -7.662 1.00 0.00 O ATOM 967 OD2 ASP A 63 -3.655 -7.663 -7.229 1.00 0.00 O ATOM 0 H ASP A 63 -4.002 -9.418 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.430 -9.908 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.028 -7.492 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.318 -7.294 -5.163 1.00 0.00 H new ATOM 972 N LEU A 64 -1.570 -8.959 -2.492 1.00 0.00 N ATOM 973 CA LEU A 64 -0.792 -8.886 -1.255 1.00 0.00 C ATOM 974 C LEU A 64 -0.124 -10.228 -0.949 1.00 0.00 C ATOM 975 O LEU A 64 1.049 -10.272 -0.579 1.00 0.00 O ATOM 976 CB LEU A 64 -1.679 -8.462 -0.081 1.00 0.00 C ATOM 977 CG LEU A 64 -1.053 -7.432 0.862 1.00 0.00 C ATOM 978 CD1 LEU A 64 -2.131 -6.570 1.502 1.00 0.00 C ATOM 979 CD2 LEU A 64 -0.210 -8.124 1.926 1.00 0.00 C ATOM 0 H LEU A 64 -2.559 -8.734 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.014 -8.136 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.609 -8.053 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.941 -9.349 0.496 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.399 -6.783 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.667 -5.843 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.687 -6.046 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.812 -7.202 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.227 -7.376 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.839 -8.798 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.586 -8.693 1.446 1.00 0.00 H new ATOM 991 N ALA A 65 -0.877 -11.318 -1.116 1.00 0.00 N ATOM 992 CA ALA A 65 -0.353 -12.660 -0.867 1.00 0.00 C ATOM 993 C ALA A 65 0.761 -13.001 -1.858 1.00 0.00 C ATOM 994 O ALA A 65 1.777 -13.589 -1.481 1.00 0.00 O ATOM 995 CB ALA A 65 -1.472 -13.692 -0.942 1.00 0.00 C ATOM 0 H ALA A 65 -1.850 -11.296 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 65 0.069 -12.681 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.064 -14.685 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.229 -13.463 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.924 -13.667 -1.933 1.00 0.00 H new ATOM 1001 N GLU A 66 0.565 -12.621 -3.122 1.00 0.00 N ATOM 1002 CA GLU A 66 1.555 -12.878 -4.167 1.00 0.00 C ATOM 1003 C GLU A 66 2.779 -11.972 -4.004 1.00 0.00 C ATOM 1004 O GLU A 66 3.914 -12.427 -4.137 1.00 0.00 O ATOM 1005 CB GLU A 66 0.938 -12.672 -5.556 1.00 0.00 C ATOM 1006 CG GLU A 66 1.480 -13.626 -6.610 1.00 0.00 C ATOM 1007 CD GLU A 66 0.778 -14.971 -6.597 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -0.405 -15.028 -6.995 1.00 0.00 O ATOM 1009 OE2 GLU A 66 1.410 -15.966 -6.185 1.00 0.00 O ATOM 0 H GLU A 66 -0.271 -12.134 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 66 1.877 -13.915 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.143 -12.796 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.121 -11.647 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.371 -13.173 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.547 -13.776 -6.445 1.00 0.00 H new ATOM 1016 N TYR A 67 2.538 -10.689 -3.724 1.00 0.00 N ATOM 1017 CA TYR A 67 3.618 -9.715 -3.552 1.00 0.00 C ATOM 1018 C TYR A 67 4.521 -10.066 -2.369 1.00 0.00 C ATOM 1019 O TYR A 67 5.732 -9.859 -2.430 1.00 0.00 O ATOM 1020 CB TYR A 67 3.044 -8.308 -3.363 1.00 0.00 C ATOM 1021 CG TYR A 67 3.863 -7.225 -4.031 1.00 0.00 C ATOM 1022 CD1 TYR A 67 5.003 -6.714 -3.423 1.00 0.00 C ATOM 1023 CD2 TYR A 67 3.495 -6.713 -5.269 1.00 0.00 C ATOM 1024 CE1 TYR A 67 5.754 -5.725 -4.031 1.00 0.00 C ATOM 1025 CE2 TYR A 67 4.240 -5.725 -5.883 1.00 0.00 C ATOM 1026 CZ TYR A 67 5.368 -5.234 -5.260 1.00 0.00 C ATOM 1027 OH TYR A 67 6.115 -4.251 -5.869 1.00 0.00 O ATOM 0 H TYR A 67 1.602 -10.300 -3.611 1.00 0.00 H new ATOM 0 HA TYR A 67 4.224 -9.743 -4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.029 -8.282 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.974 -8.093 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.308 -7.096 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.611 -7.094 -5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.638 -5.339 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.941 -5.339 -6.846 1.00 0.00 H new ATOM 0 HH TYR A 67 5.517 -3.609 -6.305 1.00 0.00 H new ATOM 1037 N TYR A 68 3.935 -10.595 -1.295 1.00 0.00 N ATOM 1038 CA TYR A 68 4.709 -10.967 -0.110 1.00 0.00 C ATOM 1039 C TYR A 68 5.770 -12.007 -0.465 1.00 0.00 C ATOM 1040 O TYR A 68 6.892 -11.960 0.044 1.00 0.00 O ATOM 1041 CB TYR A 68 3.791 -11.509 0.992 1.00 0.00 C ATOM 1042 CG TYR A 68 4.185 -11.078 2.392 1.00 0.00 C ATOM 1043 CD1 TYR A 68 5.407 -11.454 2.941 1.00 0.00 C ATOM 1044 CD2 TYR A 68 3.332 -10.299 3.165 1.00 0.00 C ATOM 1045 CE1 TYR A 68 5.765 -11.065 4.218 1.00 0.00 C ATOM 1046 CE2 TYR A 68 3.685 -9.907 4.443 1.00 0.00 C ATOM 1047 CZ TYR A 68 4.902 -10.292 4.964 1.00 0.00 C ATOM 1048 OH TYR A 68 5.257 -9.904 6.238 1.00 0.00 O ATOM 0 H TYR A 68 2.934 -10.775 -1.221 1.00 0.00 H new ATOM 0 HA TYR A 68 5.206 -10.071 0.261 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.771 -11.179 0.795 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.789 -12.598 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.087 -12.060 2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.378 -9.995 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.717 -11.366 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.010 -9.302 5.031 1.00 0.00 H new ATOM 0 HH TYR A 68 4.539 -9.363 6.627 1.00 0.00 H new ATOM 1058 N GLU A 69 5.405 -12.940 -1.344 1.00 0.00 N ATOM 1059 CA GLU A 69 6.321 -13.991 -1.776 1.00 0.00 C ATOM 1060 C GLU A 69 7.174 -13.525 -2.958 1.00 0.00 C ATOM 1061 O GLU A 69 8.359 -13.853 -3.043 1.00 0.00 O ATOM 1062 CB GLU A 69 5.540 -15.250 -2.164 1.00 0.00 C ATOM 1063 CG GLU A 69 6.418 -16.481 -2.334 1.00 0.00 C ATOM 1064 CD GLU A 69 6.765 -17.145 -1.013 1.00 0.00 C ATOM 1065 OE1 GLU A 69 5.837 -17.432 -0.226 1.00 0.00 O ATOM 1066 OE2 GLU A 69 7.967 -17.379 -0.767 1.00 0.00 O ATOM 0 H GLU A 69 4.480 -12.988 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 69 6.984 -14.222 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.789 -15.452 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.005 -15.064 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.907 -17.201 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.338 -16.197 -2.845 1.00 0.00 H new ATOM 1073 N GLU A 70 6.562 -12.769 -3.873 1.00 0.00 N ATOM 1074 CA GLU A 70 7.262 -12.269 -5.059 1.00 0.00 C ATOM 1075 C GLU A 70 8.308 -11.213 -4.700 1.00 0.00 C ATOM 1076 O GLU A 70 9.389 -11.183 -5.290 1.00 0.00 O ATOM 1077 CB GLU A 70 6.264 -11.684 -6.063 1.00 0.00 C ATOM 1078 CG GLU A 70 5.563 -12.734 -6.917 1.00 0.00 C ATOM 1079 CD GLU A 70 4.647 -12.140 -7.977 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.642 -10.900 -8.148 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.930 -12.920 -8.639 1.00 0.00 O ATOM 0 H GLU A 70 5.583 -12.490 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 70 7.778 -13.117 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.513 -11.109 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.788 -10.987 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.314 -13.356 -7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.980 -13.388 -6.269 1.00 0.00 H new ATOM 1088 N ALA A 71 7.985 -10.345 -3.740 1.00 0.00 N ATOM 1089 CA ALA A 71 8.911 -9.294 -3.326 1.00 0.00 C ATOM 1090 C ALA A 71 10.099 -9.869 -2.557 1.00 0.00 C ATOM 1091 O ALA A 71 11.248 -9.519 -2.831 1.00 0.00 O ATOM 1092 CB ALA A 71 8.194 -8.245 -2.488 1.00 0.00 C ATOM 0 H ALA A 71 7.096 -10.350 -3.239 1.00 0.00 H new ATOM 0 HA ALA A 71 9.294 -8.818 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.902 -7.471 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.392 -7.797 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.774 -8.715 -1.599 1.00 0.00 H new ATOM 1098 N GLY A 72 9.815 -10.750 -1.594 1.00 0.00 N ATOM 1099 CA GLY A 72 10.874 -11.356 -0.801 1.00 0.00 C ATOM 1100 C GLY A 72 11.687 -10.329 -0.032 1.00 0.00 C ATOM 1101 O GLY A 72 12.913 -10.425 0.033 1.00 0.00 O ATOM 0 H GLY A 72 8.872 -11.053 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.437 -12.067 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.536 -11.921 -1.457 1.00 0.00 H new ATOM 1105 N ILE A 73 11.000 -9.343 0.551 1.00 0.00 N ATOM 1106 CA ILE A 73 11.664 -8.288 1.318 1.00 0.00 C ATOM 1107 C ILE A 73 12.378 -8.848 2.552 1.00 0.00 C ATOM 1108 O ILE A 73 13.408 -8.318 2.969 1.00 0.00 O ATOM 1109 CB ILE A 73 10.676 -7.180 1.753 1.00 0.00 C ATOM 1110 CG1 ILE A 73 9.510 -7.766 2.561 1.00 0.00 C ATOM 1111 CG2 ILE A 73 10.158 -6.426 0.535 1.00 0.00 C ATOM 1112 CD1 ILE A 73 9.079 -6.894 3.721 1.00 0.00 C ATOM 0 H ILE A 73 9.985 -9.254 0.506 1.00 0.00 H new ATOM 0 HA ILE A 73 12.406 -7.849 0.651 1.00 0.00 H new ATOM 0 HB ILE A 73 11.211 -6.481 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.659 -7.920 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.798 -8.746 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 73 9.464 -5.649 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.995 -5.969 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.644 -7.119 -0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.251 -7.370 4.247 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.916 -6.761 4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.759 -5.922 3.346 1.00 0.00 H new ATOM 1124 N HIS A 74 11.831 -9.923 3.127 1.00 0.00 N ATOM 1125 CA HIS A 74 12.430 -10.546 4.305 1.00 0.00 C ATOM 1126 C HIS A 74 13.705 -11.309 3.930 1.00 0.00 C ATOM 1127 O HIS A 74 14.782 -11.001 4.439 1.00 0.00 O ATOM 1128 CB HIS A 74 11.431 -11.484 4.995 1.00 0.00 C ATOM 1129 CG HIS A 74 10.623 -10.822 6.072 1.00 0.00 C ATOM 1130 ND1 HIS A 74 11.157 -9.917 6.968 1.00 0.00 N ATOM 1131 CD2 HIS A 74 9.312 -10.939 6.397 1.00 0.00 C ATOM 1132 CE1 HIS A 74 10.212 -9.509 7.796 1.00 0.00 C ATOM 1133 NE2 HIS A 74 9.084 -10.114 7.471 1.00 0.00 N ATOM 0 H HIS A 74 10.979 -10.376 2.796 1.00 0.00 H new ATOM 0 HA HIS A 74 12.696 -9.753 5.004 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.754 -11.893 4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.975 -12.325 5.426 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.583 -11.564 5.903 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.340 -8.801 8.602 1.00 0.00 H new ATOM 0 HE2 HIS A 74 8.188 -9.989 7.942 1.00 0.00 H new ATOM 1142 N PRO A 75 13.606 -12.315 3.032 1.00 0.00 N ATOM 1143 CA PRO A 75 14.766 -13.106 2.602 1.00 0.00 C ATOM 1144 C PRO A 75 15.691 -12.333 1.656 1.00 0.00 C ATOM 1145 O PRO A 75 15.328 -12.054 0.511 1.00 0.00 O ATOM 1146 CB PRO A 75 14.134 -14.296 1.879 1.00 0.00 C ATOM 1147 CG PRO A 75 12.835 -13.778 1.364 1.00 0.00 C ATOM 1148 CD PRO A 75 12.362 -12.762 2.368 1.00 0.00 C ATOM 0 HA PRO A 75 15.399 -13.386 3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.770 -14.649 1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.985 -15.137 2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.959 -13.325 0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.110 -14.584 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.846 -11.932 1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.663 -13.200 3.081 1.00 0.00 H new ATOM 1156 N PRO A 76 16.904 -11.977 2.125 1.00 0.00 N ATOM 1157 CA PRO A 76 17.881 -11.236 1.317 1.00 0.00 C ATOM 1158 C PRO A 76 18.472 -12.090 0.195 1.00 0.00 C ATOM 1159 O PRO A 76 19.140 -13.094 0.455 1.00 0.00 O ATOM 1160 CB PRO A 76 18.963 -10.853 2.330 1.00 0.00 C ATOM 1161 CG PRO A 76 18.871 -11.894 3.391 1.00 0.00 C ATOM 1162 CD PRO A 76 17.418 -12.270 3.478 1.00 0.00 C ATOM 0 HA PRO A 76 17.431 -10.380 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 76 19.951 -10.843 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.790 -9.857 2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.484 -12.760 3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 76 19.233 -11.511 4.345 1.00 0.00 H new ATOM 0 HD2 PRO A 76 17.290 -13.321 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.898 -11.689 4.239 1.00 0.00 H new ATOM 1170 N GLU A 77 18.214 -11.679 -1.052 1.00 0.00 N ATOM 1171 CA GLU A 77 18.705 -12.392 -2.237 1.00 0.00 C ATOM 1172 C GLU A 77 18.038 -13.767 -2.376 1.00 0.00 C ATOM 1173 O GLU A 77 17.443 -14.277 -1.424 1.00 0.00 O ATOM 1174 CB GLU A 77 20.232 -12.547 -2.186 1.00 0.00 C ATOM 1175 CG GLU A 77 20.989 -11.262 -2.489 1.00 0.00 C ATOM 1176 CD GLU A 77 22.476 -11.490 -2.683 1.00 0.00 C ATOM 1177 OE1 GLU A 77 23.210 -11.517 -1.672 1.00 0.00 O ATOM 1178 OE2 GLU A 77 22.908 -11.637 -3.846 1.00 0.00 O ATOM 0 H GLU A 77 17.663 -10.848 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 77 18.443 -11.796 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 77 20.519 -12.902 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 77 20.534 -13.313 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 77 20.575 -10.805 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 77 20.837 -10.555 -1.673 1.00 0.00 H new ATOM 1185 N PRO A 78 18.126 -14.387 -3.575 1.00 0.00 N ATOM 1186 CA PRO A 78 17.527 -15.706 -3.838 1.00 0.00 C ATOM 1187 C PRO A 78 17.974 -16.763 -2.828 1.00 0.00 C ATOM 1188 O PRO A 78 19.171 -16.952 -2.603 1.00 0.00 O ATOM 1189 CB PRO A 78 18.031 -16.056 -5.243 1.00 0.00 C ATOM 1190 CG PRO A 78 18.330 -14.742 -5.876 1.00 0.00 C ATOM 1191 CD PRO A 78 18.814 -13.850 -4.767 1.00 0.00 C ATOM 0 HA PRO A 78 16.440 -15.681 -3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.920 -16.686 -5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 78 17.278 -16.606 -5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.088 -14.846 -6.652 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.442 -14.327 -6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 78 19.898 -13.893 -4.660 1.00 0.00 H new ATOM 0 HD3 PRO A 78 18.553 -12.807 -4.947 1.00 0.00 H new ATOM 1199 N ILE A 79 17.002 -17.444 -2.218 1.00 0.00 N ATOM 1200 CA ILE A 79 17.293 -18.475 -1.223 1.00 0.00 C ATOM 1201 C ILE A 79 16.601 -19.800 -1.562 1.00 0.00 C ATOM 1202 O ILE A 79 15.533 -19.814 -2.180 1.00 0.00 O ATOM 1203 CB ILE A 79 16.872 -18.014 0.193 1.00 0.00 C ATOM 1204 CG1 ILE A 79 17.291 -19.046 1.243 1.00 0.00 C ATOM 1205 CG2 ILE A 79 15.370 -17.759 0.258 1.00 0.00 C ATOM 1206 CD1 ILE A 79 17.350 -18.489 2.650 1.00 0.00 C ATOM 0 H ILE A 79 16.008 -17.300 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 79 18.371 -18.637 -1.239 1.00 0.00 H new ATOM 0 HB ILE A 79 17.384 -17.076 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.590 -19.880 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.270 -19.445 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.099 -17.436 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 79 15.102 -16.982 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 79 14.834 -18.677 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.654 -19.276 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.073 -17.674 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.366 -18.116 2.935 1.00 0.00 H new ATOM 1218 N ALA A 80 17.222 -20.910 -1.151 1.00 0.00 N ATOM 1219 CA ALA A 80 16.678 -22.243 -1.404 1.00 0.00 C ATOM 1220 C ALA A 80 17.117 -23.238 -0.326 1.00 0.00 C ATOM 1221 O ALA A 80 17.972 -22.927 0.508 1.00 0.00 O ATOM 1222 CB ALA A 80 17.105 -22.734 -2.782 1.00 0.00 C ATOM 0 H ALA A 80 18.105 -20.909 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 80 15.591 -22.173 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 80 16.693 -23.728 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.735 -22.048 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.193 -22.778 -2.832 1.00 0.00 H new ATOM 1228 N ALA A 81 16.527 -24.438 -0.352 1.00 0.00 N ATOM 1229 CA ALA A 81 16.856 -25.482 0.618 1.00 0.00 C ATOM 1230 C ALA A 81 16.732 -26.872 -0.007 1.00 0.00 C ATOM 1231 O ALA A 81 15.623 -27.368 -0.222 1.00 0.00 O ATOM 1232 CB ALA A 81 15.960 -25.371 1.846 1.00 0.00 C ATOM 0 H ALA A 81 15.819 -24.708 -1.035 1.00 0.00 H new ATOM 0 HA ALA A 81 17.892 -25.340 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.219 -26.155 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.102 -24.396 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 81 14.918 -25.482 1.547 1.00 0.00 H new ATOM 1238 N ALA A 82 17.876 -27.495 -0.296 1.00 0.00 N ATOM 1239 CA ALA A 82 17.898 -28.827 -0.896 1.00 0.00 C ATOM 1240 C ALA A 82 18.909 -29.730 -0.192 1.00 0.00 C ATOM 1241 O ALA A 82 20.081 -29.371 -0.053 1.00 0.00 O ATOM 1242 CB ALA A 82 18.216 -28.735 -2.383 1.00 0.00 C ATOM 0 H ALA A 82 18.799 -27.097 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 82 16.908 -29.268 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.229 -29.736 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.455 -28.134 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 82 19.192 -28.269 -2.518 1.00 0.00 H new ATOM 1248 N ALA A 83 18.450 -30.904 0.245 1.00 0.00 N ATOM 1249 CA ALA A 83 19.315 -31.862 0.930 1.00 0.00 C ATOM 1250 C ALA A 83 19.769 -32.965 -0.022 1.00 0.00 C ATOM 1251 O ALA A 83 18.958 -33.547 -0.744 1.00 0.00 O ATOM 1252 CB ALA A 83 18.597 -32.464 2.131 1.00 0.00 C ATOM 0 H ALA A 83 17.484 -31.213 0.136 1.00 0.00 H new ATOM 0 HA ALA A 83 20.198 -31.329 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.255 -33.175 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 83 18.325 -31.671 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.696 -32.977 1.796 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -1.892 15.579 1.560 1.00 0.00 ZN