USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 30 ASN : amide:sc= -0.539 K(o=-0.93,f=0.51) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -141:sc= -0.394 (180deg=0) USER MOD Single : A 1 MET CE :methyl -172:sc= -1.18 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 5 TYR OH : rot 100:sc= 1.85 USER MOD Single : A 8 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.11) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 15 SER OG : rot 150:sc= -0.771 USER MOD Single : A 17 GLN : amide:sc= -2.3 X(o=-2.3,f=-2.8) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.69 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.082 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.243 (180deg=0.187) USER MOD Single : A 50 MET CE :methyl -103:sc= -3.15! (180deg=-4.51!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0063 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 59:sc= -0.121 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.406 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.964 4.779 -15.100 1.00 0.00 N ATOM 2 CA MET A 1 2.345 3.707 -14.144 1.00 0.00 C ATOM 3 C MET A 1 3.459 4.171 -13.211 1.00 0.00 C ATOM 4 O MET A 1 4.629 4.204 -13.593 1.00 0.00 O ATOM 5 CB MET A 1 2.797 2.481 -14.941 1.00 0.00 C ATOM 6 CG MET A 1 2.228 1.172 -14.418 1.00 0.00 C ATOM 7 SD MET A 1 2.280 -0.147 -15.645 1.00 0.00 S ATOM 8 CE MET A 1 2.586 -1.570 -14.601 1.00 0.00 C ATOM 0 H1 MET A 1 1.205 4.436 -15.722 1.00 0.00 H new ATOM 0 H2 MET A 1 1.630 5.611 -14.573 1.00 0.00 H new ATOM 0 H3 MET A 1 2.790 5.041 -15.675 1.00 0.00 H new ATOM 0 HA MET A 1 1.484 3.456 -13.525 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.501 2.606 -15.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.886 2.427 -14.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.788 0.864 -13.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.197 1.329 -14.102 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.786 -2.442 -15.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.448 -1.375 -13.963 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.711 -1.760 -13.980 1.00 0.00 H new ATOM 20 N ARG A 2 3.088 4.529 -11.985 1.00 0.00 N ATOM 21 CA ARG A 2 4.057 4.992 -10.998 1.00 0.00 C ATOM 22 C ARG A 2 4.153 4.014 -9.830 1.00 0.00 C ATOM 23 O ARG A 2 3.489 2.979 -9.819 1.00 0.00 O ATOM 24 CB ARG A 2 3.669 6.381 -10.484 1.00 0.00 C ATOM 25 CG ARG A 2 3.829 7.479 -11.522 1.00 0.00 C ATOM 26 CD ARG A 2 5.123 8.252 -11.324 1.00 0.00 C ATOM 27 NE ARG A 2 4.948 9.683 -11.555 1.00 0.00 N ATOM 28 CZ ARG A 2 4.901 10.239 -12.763 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.012 9.488 -13.852 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.742 11.550 -12.883 1.00 0.00 N ATOM 0 H ARG A 2 2.124 4.507 -11.652 1.00 0.00 H new ATOM 0 HA ARG A 2 5.032 5.050 -11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.632 6.359 -10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.281 6.622 -9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.815 7.042 -12.520 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.983 8.163 -11.462 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.490 8.091 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.883 7.866 -12.003 1.00 0.00 H new ATOM 0 HE ARG A 2 4.856 10.293 -10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.134 8.479 -13.765 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.975 9.920 -14.775 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.656 12.132 -12.050 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.706 11.977 -13.809 1.00 0.00 H new ATOM 44 N ASN A 3 4.987 4.350 -8.851 1.00 0.00 N ATOM 45 CA ASN A 3 5.172 3.502 -7.680 1.00 0.00 C ATOM 46 C ASN A 3 4.585 4.158 -6.434 1.00 0.00 C ATOM 47 O ASN A 3 4.671 5.373 -6.261 1.00 0.00 O ATOM 48 CB ASN A 3 6.659 3.211 -7.464 1.00 0.00 C ATOM 49 CG ASN A 3 7.136 2.014 -8.263 1.00 0.00 C ATOM 50 OD1 ASN A 3 7.424 0.956 -7.705 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.223 2.177 -9.578 1.00 0.00 N ATOM 0 H ASN A 3 5.545 5.204 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 3 4.647 2.563 -7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.242 4.088 -7.745 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.841 3.033 -6.404 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.539 1.407 -10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.974 3.072 -9.999 1.00 0.00 H new ATOM 58 N ILE A 4 3.989 3.344 -5.568 1.00 0.00 N ATOM 59 CA ILE A 4 3.389 3.843 -4.338 1.00 0.00 C ATOM 60 C ILE A 4 4.059 3.231 -3.112 1.00 0.00 C ATOM 61 O ILE A 4 4.061 2.012 -2.937 1.00 0.00 O ATOM 62 CB ILE A 4 1.877 3.544 -4.289 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.200 4.000 -5.585 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.241 4.222 -3.084 1.00 0.00 C ATOM 65 CD1 ILE A 4 0.484 2.885 -6.317 1.00 0.00 C ATOM 0 H ILE A 4 3.909 2.335 -5.697 1.00 0.00 H new ATOM 0 HA ILE A 4 3.538 4.923 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 4 1.738 2.467 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.485 4.790 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.951 4.433 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.174 4.001 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.706 3.851 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.387 5.300 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.028 3.280 -7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.198 2.105 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.291 2.467 -5.674 1.00 0.00 H new ATOM 77 N TYR A 5 4.631 4.084 -2.268 1.00 0.00 N ATOM 78 CA TYR A 5 5.307 3.627 -1.059 1.00 0.00 C ATOM 79 C TYR A 5 4.431 3.842 0.172 1.00 0.00 C ATOM 80 O TYR A 5 4.000 4.961 0.451 1.00 0.00 O ATOM 81 CB TYR A 5 6.637 4.363 -0.885 1.00 0.00 C ATOM 82 CG TYR A 5 7.587 3.683 0.075 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.271 3.556 1.423 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.799 3.168 -0.365 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.136 2.936 2.303 1.00 0.00 C ATOM 86 CE2 TYR A 5 9.670 2.545 0.510 1.00 0.00 C ATOM 87 CZ TYR A 5 9.335 2.432 1.842 1.00 0.00 C ATOM 88 OH TYR A 5 10.198 1.814 2.716 1.00 0.00 O ATOM 0 H TYR A 5 4.640 5.095 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 5 5.499 2.559 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.121 4.455 -1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.439 5.375 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.333 3.949 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.066 3.255 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.875 2.846 3.347 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.608 2.149 0.151 1.00 0.00 H new ATOM 0 HH TYR A 5 10.105 0.842 2.635 1.00 0.00 H new ATOM 98 N VAL A 6 4.173 2.764 0.904 1.00 0.00 N ATOM 99 CA VAL A 6 3.349 2.835 2.106 1.00 0.00 C ATOM 100 C VAL A 6 4.056 2.189 3.293 1.00 0.00 C ATOM 101 O VAL A 6 4.530 1.057 3.204 1.00 0.00 O ATOM 102 CB VAL A 6 1.983 2.150 1.892 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.166 0.673 1.574 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.094 2.335 3.113 1.00 0.00 C ATOM 0 H VAL A 6 4.522 1.831 0.687 1.00 0.00 H new ATOM 0 HA VAL A 6 3.184 3.891 2.318 1.00 0.00 H new ATOM 0 HB VAL A 6 1.493 2.621 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.191 0.209 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.759 0.567 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.679 0.184 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.135 1.845 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.577 1.894 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.932 3.399 3.287 1.00 0.00 H new ATOM 114 N GLY A 7 4.124 2.917 4.404 1.00 0.00 N ATOM 115 CA GLY A 7 4.776 2.397 5.592 1.00 0.00 C ATOM 116 C GLY A 7 3.796 2.101 6.709 1.00 0.00 C ATOM 117 O GLY A 7 2.584 2.106 6.498 1.00 0.00 O ATOM 0 H GLY A 7 3.740 3.857 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.317 1.486 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.514 3.118 5.942 1.00 0.00 H new ATOM 121 N ASN A 8 4.322 1.842 7.902 1.00 0.00 N ATOM 122 CA ASN A 8 3.485 1.543 9.059 1.00 0.00 C ATOM 123 C ASN A 8 2.585 0.341 8.784 1.00 0.00 C ATOM 124 O ASN A 8 1.455 0.277 9.268 1.00 0.00 O ATOM 125 CB ASN A 8 2.636 2.762 9.428 1.00 0.00 C ATOM 126 CG ASN A 8 2.815 3.173 10.876 1.00 0.00 C ATOM 127 OD1 ASN A 8 2.901 4.361 11.191 1.00 0.00 O ATOM 128 ND2 ASN A 8 2.873 2.191 11.768 1.00 0.00 N ATOM 0 H ASN A 8 5.324 1.833 8.093 1.00 0.00 H new ATOM 0 HA ASN A 8 4.138 1.298 9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.903 3.597 8.780 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.585 2.539 9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.993 2.407 12.758 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.797 1.220 11.464 1.00 0.00 H new ATOM 135 N LEU A 9 3.093 -0.606 8.002 1.00 0.00 N ATOM 136 CA LEU A 9 2.335 -1.803 7.662 1.00 0.00 C ATOM 137 C LEU A 9 2.503 -2.877 8.731 1.00 0.00 C ATOM 138 O LEU A 9 3.188 -2.670 9.733 1.00 0.00 O ATOM 139 CB LEU A 9 2.783 -2.346 6.303 1.00 0.00 C ATOM 140 CG LEU A 9 2.198 -1.621 5.089 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.622 -2.310 3.800 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.681 -1.557 5.187 1.00 0.00 C ATOM 0 H LEU A 9 4.026 -0.567 7.592 1.00 0.00 H new ATOM 0 HA LEU A 9 1.281 -1.532 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.870 -2.293 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.511 -3.400 6.243 1.00 0.00 H new ATOM 0 HG LEU A 9 2.585 -0.602 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.197 -1.781 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.709 -2.304 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.264 -3.340 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.282 -1.038 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.276 -2.568 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.397 -1.019 6.091 1.00 0.00 H new ATOM 154 N VAL A 10 1.874 -4.026 8.510 1.00 0.00 N ATOM 155 CA VAL A 10 1.951 -5.136 9.452 1.00 0.00 C ATOM 156 C VAL A 10 1.488 -6.438 8.797 1.00 0.00 C ATOM 157 O VAL A 10 1.027 -6.435 7.656 1.00 0.00 O ATOM 158 CB VAL A 10 1.113 -4.849 10.721 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.360 -5.159 10.495 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.654 -5.628 11.911 1.00 0.00 C ATOM 0 H VAL A 10 1.304 -4.213 7.685 1.00 0.00 H new ATOM 0 HA VAL A 10 2.994 -5.247 9.748 1.00 0.00 H new ATOM 0 HB VAL A 10 1.197 -3.785 10.941 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.920 -4.947 11.405 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.741 -4.541 9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.475 -6.211 10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.050 -5.412 12.792 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.613 -6.696 11.696 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.687 -5.335 12.098 1.00 0.00 H new ATOM 170 N TYR A 11 1.620 -7.549 9.521 1.00 0.00 N ATOM 171 CA TYR A 11 1.220 -8.860 9.009 1.00 0.00 C ATOM 172 C TYR A 11 -0.125 -8.794 8.285 1.00 0.00 C ATOM 173 O TYR A 11 -0.282 -9.348 7.198 1.00 0.00 O ATOM 174 CB TYR A 11 1.148 -9.872 10.155 1.00 0.00 C ATOM 175 CG TYR A 11 2.016 -11.092 9.944 1.00 0.00 C ATOM 176 CD1 TYR A 11 1.950 -11.817 8.761 1.00 0.00 C ATOM 177 CD2 TYR A 11 2.901 -11.516 10.926 1.00 0.00 C ATOM 178 CE1 TYR A 11 2.741 -12.933 8.564 1.00 0.00 C ATOM 179 CE2 TYR A 11 3.697 -12.630 10.737 1.00 0.00 C ATOM 180 CZ TYR A 11 3.613 -13.335 9.554 1.00 0.00 C ATOM 181 OH TYR A 11 4.403 -14.445 9.362 1.00 0.00 O ATOM 0 H TYR A 11 2.002 -7.567 10.467 1.00 0.00 H new ATOM 0 HA TYR A 11 1.973 -9.180 8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.446 -9.381 11.081 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.113 -10.191 10.282 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.270 -11.504 7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.969 -10.966 11.853 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.677 -13.488 7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.381 -12.947 11.511 1.00 0.00 H new ATOM 0 HH TYR A 11 4.961 -14.591 10.155 1.00 0.00 H new ATOM 191 N SER A 12 -1.090 -8.114 8.895 1.00 0.00 N ATOM 192 CA SER A 12 -2.417 -7.976 8.307 1.00 0.00 C ATOM 193 C SER A 12 -2.971 -6.572 8.537 1.00 0.00 C ATOM 194 O SER A 12 -3.998 -6.397 9.194 1.00 0.00 O ATOM 195 CB SER A 12 -3.368 -9.019 8.896 1.00 0.00 C ATOM 196 OG SER A 12 -4.561 -9.109 8.136 1.00 0.00 O ATOM 0 H SER A 12 -0.978 -7.650 9.796 1.00 0.00 H new ATOM 0 HA SER A 12 -2.332 -8.140 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.876 -9.991 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.608 -8.756 9.926 1.00 0.00 H new ATOM 0 HG SER A 12 -5.151 -9.784 8.532 1.00 0.00 H new ATOM 202 N ALA A 13 -2.280 -5.575 7.995 1.00 0.00 N ATOM 203 CA ALA A 13 -2.696 -4.185 8.143 1.00 0.00 C ATOM 204 C ALA A 13 -3.992 -3.910 7.386 1.00 0.00 C ATOM 205 O ALA A 13 -5.067 -3.850 7.980 1.00 0.00 O ATOM 206 CB ALA A 13 -1.591 -3.253 7.670 1.00 0.00 C ATOM 0 H ALA A 13 -1.428 -5.704 7.449 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.885 -3.999 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.914 -2.218 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.693 -3.422 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.373 -3.450 6.620 1.00 0.00 H new ATOM 212 N THR A 14 -3.880 -3.737 6.071 1.00 0.00 N ATOM 213 CA THR A 14 -5.044 -3.462 5.234 1.00 0.00 C ATOM 214 C THR A 14 -4.658 -3.368 3.761 1.00 0.00 C ATOM 215 O THR A 14 -5.445 -3.720 2.882 1.00 0.00 O ATOM 216 CB THR A 14 -5.724 -2.162 5.673 1.00 0.00 C ATOM 217 OG1 THR A 14 -4.806 -1.315 6.347 1.00 0.00 O ATOM 218 CG2 THR A 14 -6.910 -2.384 6.588 1.00 0.00 C ATOM 0 H THR A 14 -2.996 -3.782 5.563 1.00 0.00 H new ATOM 0 HA THR A 14 -5.741 -4.292 5.355 1.00 0.00 H new ATOM 0 HB THR A 14 -6.081 -1.699 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.260 -0.490 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.344 -1.422 6.861 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.658 -2.987 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.582 -2.902 7.489 1.00 0.00 H new ATOM 226 N SER A 15 -3.446 -2.887 3.493 1.00 0.00 N ATOM 227 CA SER A 15 -2.966 -2.742 2.121 1.00 0.00 C ATOM 228 C SER A 15 -3.226 -4.002 1.301 1.00 0.00 C ATOM 229 O SER A 15 -3.856 -3.947 0.245 1.00 0.00 O ATOM 230 CB SER A 15 -1.471 -2.415 2.113 1.00 0.00 C ATOM 231 OG SER A 15 -0.921 -2.571 0.817 1.00 0.00 O ATOM 0 H SER A 15 -2.780 -2.592 4.206 1.00 0.00 H new ATOM 0 HA SER A 15 -3.518 -1.921 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.318 -1.392 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.949 -3.067 2.814 1.00 0.00 H new ATOM 0 HG SER A 15 -0.174 -1.947 0.701 1.00 0.00 H new ATOM 237 N GLU A 16 -2.746 -5.137 1.795 1.00 0.00 N ATOM 238 CA GLU A 16 -2.939 -6.406 1.104 1.00 0.00 C ATOM 239 C GLU A 16 -4.418 -6.792 1.078 1.00 0.00 C ATOM 240 O GLU A 16 -4.824 -7.679 0.326 1.00 0.00 O ATOM 241 CB GLU A 16 -2.121 -7.509 1.781 1.00 0.00 C ATOM 242 CG GLU A 16 -0.942 -7.988 0.949 1.00 0.00 C ATOM 243 CD GLU A 16 -0.851 -9.500 0.879 1.00 0.00 C ATOM 244 OE1 GLU A 16 -1.909 -10.161 0.950 1.00 0.00 O ATOM 245 OE2 GLU A 16 0.275 -10.022 0.751 1.00 0.00 O ATOM 0 H GLU A 16 -2.222 -5.205 2.668 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.595 -6.289 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.754 -7.142 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.774 -8.356 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.028 -7.586 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.019 -7.592 1.372 1.00 0.00 H new ATOM 252 N GLN A 17 -5.217 -6.122 1.904 1.00 0.00 N ATOM 253 CA GLN A 17 -6.648 -6.396 1.976 1.00 0.00 C ATOM 254 C GLN A 17 -7.430 -5.519 1.000 1.00 0.00 C ATOM 255 O GLN A 17 -8.506 -5.899 0.537 1.00 0.00 O ATOM 256 CB GLN A 17 -7.156 -6.175 3.403 1.00 0.00 C ATOM 257 CG GLN A 17 -8.651 -6.397 3.561 1.00 0.00 C ATOM 258 CD GLN A 17 -9.466 -5.176 3.179 1.00 0.00 C ATOM 259 OE1 GLN A 17 -10.305 -5.232 2.281 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.218 -4.064 3.860 1.00 0.00 N ATOM 0 H GLN A 17 -4.897 -5.385 2.533 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.806 -7.437 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.625 -6.848 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.914 -5.158 3.712 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.956 -7.241 2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.867 -6.665 4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.513 -4.064 4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.733 -3.210 3.646 1.00 0.00 H new ATOM 269 N VAL A 18 -6.889 -4.341 0.700 1.00 0.00 N ATOM 270 CA VAL A 18 -7.547 -3.409 -0.211 1.00 0.00 C ATOM 271 C VAL A 18 -7.121 -3.635 -1.661 1.00 0.00 C ATOM 272 O VAL A 18 -7.819 -3.226 -2.589 1.00 0.00 O ATOM 273 CB VAL A 18 -7.254 -1.945 0.179 1.00 0.00 C ATOM 274 CG1 VAL A 18 -5.765 -1.652 0.082 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.051 -0.988 -0.693 1.00 0.00 C ATOM 0 H VAL A 18 -5.999 -4.010 1.073 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.617 -3.598 -0.127 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.562 -1.798 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.579 -0.615 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.220 -2.312 0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.427 -1.819 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.830 0.039 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.779 -1.136 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.116 -1.180 -0.565 1.00 0.00 H new ATOM 285 N LYS A 19 -5.974 -4.282 -1.854 1.00 0.00 N ATOM 286 CA LYS A 19 -5.466 -4.549 -3.197 1.00 0.00 C ATOM 287 C LYS A 19 -6.545 -5.165 -4.084 1.00 0.00 C ATOM 288 O LYS A 19 -6.527 -5.001 -5.304 1.00 0.00 O ATOM 289 CB LYS A 19 -4.252 -5.476 -3.136 1.00 0.00 C ATOM 290 CG LYS A 19 -4.467 -6.702 -2.267 1.00 0.00 C ATOM 291 CD LYS A 19 -3.988 -7.970 -2.956 1.00 0.00 C ATOM 292 CE LYS A 19 -3.268 -8.894 -1.988 1.00 0.00 C ATOM 293 NZ LYS A 19 -2.160 -9.637 -2.650 1.00 0.00 N ATOM 0 H LYS A 19 -5.381 -4.630 -1.101 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.166 -3.596 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.999 -5.797 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.397 -4.917 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.935 -6.577 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.526 -6.796 -2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.840 -8.492 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.319 -7.709 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.869 -8.311 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.980 -9.604 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.694 -10.256 -1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.544 -10.213 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.467 -8.961 -3.031 1.00 0.00 H new ATOM 307 N GLU A 20 -7.484 -5.873 -3.464 1.00 0.00 N ATOM 308 CA GLU A 20 -8.570 -6.509 -4.200 1.00 0.00 C ATOM 309 C GLU A 20 -9.566 -5.469 -4.703 1.00 0.00 C ATOM 310 O GLU A 20 -10.175 -5.638 -5.760 1.00 0.00 O ATOM 311 CB GLU A 20 -9.286 -7.530 -3.313 1.00 0.00 C ATOM 312 CG GLU A 20 -9.716 -6.971 -1.966 1.00 0.00 C ATOM 313 CD GLU A 20 -11.036 -7.548 -1.491 1.00 0.00 C ATOM 314 OE1 GLU A 20 -11.085 -8.763 -1.208 1.00 0.00 O ATOM 315 OE2 GLU A 20 -12.019 -6.783 -1.401 1.00 0.00 O ATOM 0 H GLU A 20 -7.514 -6.020 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.141 -7.023 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.165 -7.903 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.627 -8.382 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.944 -7.182 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.802 -5.887 -2.037 1.00 0.00 H new ATOM 322 N LEU A 21 -9.726 -4.393 -3.939 1.00 0.00 N ATOM 323 CA LEU A 21 -10.647 -3.324 -4.307 1.00 0.00 C ATOM 324 C LEU A 21 -9.945 -2.266 -5.152 1.00 0.00 C ATOM 325 O LEU A 21 -10.564 -1.619 -5.996 1.00 0.00 O ATOM 326 CB LEU A 21 -11.241 -2.679 -3.053 1.00 0.00 C ATOM 327 CG LEU A 21 -12.352 -1.659 -3.313 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.373 -1.683 -2.187 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.765 -0.265 -3.473 1.00 0.00 C ATOM 0 H LEU A 21 -9.230 -4.238 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.451 -3.761 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.635 -3.466 -2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.440 -2.188 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.859 -1.929 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.155 -0.951 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.815 -2.677 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.882 -1.438 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.568 0.449 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.234 0.013 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.072 -0.256 -4.314 1.00 0.00 H new ATOM 341 N PHE A 22 -8.647 -2.094 -4.918 1.00 0.00 N ATOM 342 CA PHE A 22 -7.858 -1.115 -5.658 1.00 0.00 C ATOM 343 C PHE A 22 -7.936 -1.368 -7.162 1.00 0.00 C ATOM 344 O PHE A 22 -7.713 -0.462 -7.965 1.00 0.00 O ATOM 345 CB PHE A 22 -6.400 -1.149 -5.193 1.00 0.00 C ATOM 346 CG PHE A 22 -5.974 0.092 -4.462 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.303 1.347 -4.950 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.244 0.004 -3.287 1.00 0.00 C ATOM 349 CE1 PHE A 22 -5.913 2.491 -4.280 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.851 1.146 -2.613 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.186 2.390 -3.110 1.00 0.00 C ATOM 0 H PHE A 22 -8.120 -2.620 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.273 -0.127 -5.458 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.255 -2.012 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.754 -1.290 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.871 1.432 -5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.979 -0.966 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.176 3.463 -4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.282 1.065 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.880 3.283 -2.585 1.00 0.00 H new ATOM 361 N SER A 23 -8.254 -2.604 -7.538 1.00 0.00 N ATOM 362 CA SER A 23 -8.360 -2.971 -8.946 1.00 0.00 C ATOM 363 C SER A 23 -9.663 -2.456 -9.548 1.00 0.00 C ATOM 364 O SER A 23 -9.724 -2.125 -10.732 1.00 0.00 O ATOM 365 CB SER A 23 -8.277 -4.491 -9.105 1.00 0.00 C ATOM 366 OG SER A 23 -8.463 -4.873 -10.457 1.00 0.00 O ATOM 0 H SER A 23 -8.442 -3.367 -6.888 1.00 0.00 H new ATOM 0 HA SER A 23 -7.529 -2.510 -9.479 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.307 -4.844 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.034 -4.967 -8.482 1.00 0.00 H new ATOM 0 HG SER A 23 -8.404 -5.848 -10.532 1.00 0.00 H new ATOM 372 N GLN A 24 -10.705 -2.391 -8.727 1.00 0.00 N ATOM 373 CA GLN A 24 -12.008 -1.918 -9.182 1.00 0.00 C ATOM 374 C GLN A 24 -12.148 -0.407 -9.000 1.00 0.00 C ATOM 375 O GLN A 24 -13.096 0.199 -9.502 1.00 0.00 O ATOM 376 CB GLN A 24 -13.126 -2.638 -8.428 1.00 0.00 C ATOM 377 CG GLN A 24 -13.149 -2.336 -6.938 1.00 0.00 C ATOM 378 CD GLN A 24 -14.558 -2.257 -6.382 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.020 -3.170 -5.698 1.00 0.00 O ATOM 380 NE2 GLN A 24 -15.248 -1.161 -6.674 1.00 0.00 N ATOM 0 H GLN A 24 -10.673 -2.660 -7.743 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.089 -2.141 -10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -14.085 -2.356 -8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.015 -3.713 -8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.595 -3.109 -6.406 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.636 -1.392 -6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -14.825 -0.429 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.201 -1.051 -6.328 1.00 0.00 H new ATOM 389 N PHE A 25 -11.206 0.199 -8.281 1.00 0.00 N ATOM 390 CA PHE A 25 -11.243 1.637 -8.037 1.00 0.00 C ATOM 391 C PHE A 25 -10.138 2.355 -8.807 1.00 0.00 C ATOM 392 O PHE A 25 -10.340 3.461 -9.310 1.00 0.00 O ATOM 393 CB PHE A 25 -11.108 1.922 -6.538 1.00 0.00 C ATOM 394 CG PHE A 25 -12.261 2.698 -5.970 1.00 0.00 C ATOM 395 CD1 PHE A 25 -13.551 2.197 -6.040 1.00 0.00 C ATOM 396 CD2 PHE A 25 -12.055 3.927 -5.366 1.00 0.00 C ATOM 397 CE1 PHE A 25 -14.615 2.909 -5.517 1.00 0.00 C ATOM 398 CE2 PHE A 25 -13.115 4.644 -4.841 1.00 0.00 C ATOM 399 CZ PHE A 25 -14.396 4.134 -4.917 1.00 0.00 C ATOM 0 H PHE A 25 -10.411 -0.282 -7.859 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.203 2.014 -8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.018 0.977 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.186 2.476 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.727 1.240 -6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.055 4.330 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.616 2.508 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.941 5.601 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.225 4.692 -4.508 1.00 0.00 H new ATOM 409 N GLY A 26 -8.970 1.726 -8.891 1.00 0.00 N ATOM 410 CA GLY A 26 -7.854 2.333 -9.597 1.00 0.00 C ATOM 411 C GLY A 26 -7.242 1.422 -10.649 1.00 0.00 C ATOM 412 O GLY A 26 -6.356 1.840 -11.394 1.00 0.00 O ATOM 0 H GLY A 26 -8.776 0.811 -8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.192 3.253 -10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.085 2.612 -8.876 1.00 0.00 H new ATOM 416 N LYS A 27 -7.708 0.178 -10.713 1.00 0.00 N ATOM 417 CA LYS A 27 -7.188 -0.778 -11.685 1.00 0.00 C ATOM 418 C LYS A 27 -5.699 -1.026 -11.463 1.00 0.00 C ATOM 419 O LYS A 27 -4.907 -1.000 -12.405 1.00 0.00 O ATOM 420 CB LYS A 27 -7.429 -0.271 -13.108 1.00 0.00 C ATOM 421 CG LYS A 27 -7.437 -1.374 -14.155 1.00 0.00 C ATOM 422 CD LYS A 27 -7.605 -0.810 -15.557 1.00 0.00 C ATOM 423 CE LYS A 27 -6.265 -0.643 -16.253 1.00 0.00 C ATOM 424 NZ LYS A 27 -5.974 -1.771 -17.179 1.00 0.00 N ATOM 0 H LYS A 27 -8.441 -0.190 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.717 -1.721 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.383 0.256 -13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.656 0.454 -13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.506 -1.938 -14.098 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.247 -2.072 -13.943 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.241 -1.473 -16.144 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.112 0.154 -15.505 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.260 0.294 -16.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.474 -0.574 -15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.051 -1.618 -17.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.953 -2.663 -16.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.714 -1.822 -17.908 1.00 0.00 H new ATOM 438 N VAL A 28 -5.325 -1.268 -10.210 1.00 0.00 N ATOM 439 CA VAL A 28 -3.932 -1.522 -9.860 1.00 0.00 C ATOM 440 C VAL A 28 -3.350 -2.656 -10.700 1.00 0.00 C ATOM 441 O VAL A 28 -3.795 -3.800 -10.610 1.00 0.00 O ATOM 442 CB VAL A 28 -3.786 -1.871 -8.365 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.554 -3.141 -8.032 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.319 -2.011 -7.985 1.00 0.00 C ATOM 0 H VAL A 28 -5.969 -1.293 -9.419 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.380 -0.605 -10.067 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.211 -1.054 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.438 -3.369 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.610 -2.997 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.165 -3.968 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.239 -2.257 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.864 -2.805 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.802 -1.071 -8.179 1.00 0.00 H new ATOM 454 N PHE A 29 -2.352 -2.328 -11.515 1.00 0.00 N ATOM 455 CA PHE A 29 -1.707 -3.319 -12.371 1.00 0.00 C ATOM 456 C PHE A 29 -1.094 -4.439 -11.539 1.00 0.00 C ATOM 457 O PHE A 29 -1.161 -5.611 -11.911 1.00 0.00 O ATOM 458 CB PHE A 29 -0.628 -2.656 -13.230 1.00 0.00 C ATOM 459 CG PHE A 29 -1.177 -1.720 -14.267 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.531 -0.422 -13.932 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.338 -2.136 -15.580 1.00 0.00 C ATOM 462 CE1 PHE A 29 -2.035 0.442 -14.885 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.842 -1.276 -16.537 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.191 0.014 -16.189 1.00 0.00 C ATOM 0 H PHE A 29 -1.973 -1.385 -11.601 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.467 -3.750 -13.023 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.054 -2.107 -12.581 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.043 -3.431 -13.725 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.411 -0.082 -12.914 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.066 -3.144 -15.858 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.307 1.451 -14.611 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.963 -1.612 -17.556 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.585 0.687 -16.936 1.00 0.00 H new ATOM 474 N ASN A 30 -0.494 -4.072 -10.412 1.00 0.00 N ATOM 475 CA ASN A 30 0.132 -5.047 -9.526 1.00 0.00 C ATOM 476 C ASN A 30 0.303 -4.475 -8.121 1.00 0.00 C ATOM 477 O ASN A 30 0.311 -3.259 -7.933 1.00 0.00 O ATOM 478 CB ASN A 30 1.490 -5.477 -10.087 1.00 0.00 C ATOM 479 CG ASN A 30 1.660 -6.984 -10.093 1.00 0.00 C ATOM 480 OD1 ASN A 30 0.734 -7.724 -10.422 1.00 0.00 O ATOM 481 ND2 ASN A 30 2.851 -7.446 -9.729 1.00 0.00 N ATOM 0 H ASN A 30 -0.428 -3.106 -10.090 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.520 -5.919 -9.465 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.597 -5.098 -11.103 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.285 -5.026 -9.493 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.026 -8.451 -9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.591 -6.796 -9.464 1.00 0.00 H new ATOM 488 N VAL A 31 0.442 -5.361 -7.141 1.00 0.00 N ATOM 489 CA VAL A 31 0.613 -4.945 -5.754 1.00 0.00 C ATOM 490 C VAL A 31 1.335 -6.019 -4.945 1.00 0.00 C ATOM 491 O VAL A 31 0.936 -7.184 -4.948 1.00 0.00 O ATOM 492 CB VAL A 31 -0.744 -4.637 -5.090 1.00 0.00 C ATOM 493 CG1 VAL A 31 -1.633 -5.872 -5.080 1.00 0.00 C ATOM 494 CG2 VAL A 31 -0.542 -4.101 -3.679 1.00 0.00 C ATOM 0 H VAL A 31 0.440 -6.371 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 31 1.216 -4.037 -5.765 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.245 -3.867 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.585 -5.631 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.810 -6.201 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.142 -6.669 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.511 -3.890 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.017 -4.844 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.047 -3.185 -3.719 1.00 0.00 H new ATOM 504 N LYS A 32 2.399 -5.620 -4.256 1.00 0.00 N ATOM 505 CA LYS A 32 3.176 -6.551 -3.445 1.00 0.00 C ATOM 506 C LYS A 32 4.003 -5.807 -2.401 1.00 0.00 C ATOM 507 O LYS A 32 4.809 -4.939 -2.736 1.00 0.00 O ATOM 508 CB LYS A 32 4.095 -7.390 -4.335 1.00 0.00 C ATOM 509 CG LYS A 32 3.475 -8.704 -4.785 1.00 0.00 C ATOM 510 CD LYS A 32 3.493 -8.841 -6.299 1.00 0.00 C ATOM 511 CE LYS A 32 4.911 -8.803 -6.846 1.00 0.00 C ATOM 512 NZ LYS A 32 4.947 -9.033 -8.316 1.00 0.00 N ATOM 0 H LYS A 32 2.743 -4.660 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 32 2.479 -7.210 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.367 -6.806 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.018 -7.600 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.019 -9.536 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.448 -8.764 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.016 -9.778 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.908 -8.036 -6.745 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.362 -7.837 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.513 -9.561 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.768 -9.626 -8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.074 -9.514 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.024 -8.120 -8.808 1.00 0.00 H new ATOM 526 N LEU A 33 3.802 -6.157 -1.135 1.00 0.00 N ATOM 527 CA LEU A 33 4.534 -5.527 -0.042 1.00 0.00 C ATOM 528 C LEU A 33 5.884 -6.207 0.161 1.00 0.00 C ATOM 529 O LEU A 33 6.312 -7.013 -0.665 1.00 0.00 O ATOM 530 CB LEU A 33 3.718 -5.587 1.251 1.00 0.00 C ATOM 531 CG LEU A 33 2.214 -5.367 1.080 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.504 -5.463 2.422 1.00 0.00 C ATOM 533 CD2 LEU A 33 1.945 -4.019 0.428 1.00 0.00 C ATOM 0 H LEU A 33 3.138 -6.873 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 33 4.705 -4.482 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.876 -6.559 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.103 -4.836 1.941 1.00 0.00 H new ATOM 0 HG LEU A 33 1.823 -6.149 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.435 -5.304 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.670 -6.451 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.898 -4.703 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.870 -3.878 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.350 -3.224 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.421 -3.987 -0.552 1.00 0.00 H new ATOM 545 N ILE A 34 6.552 -5.881 1.263 1.00 0.00 N ATOM 546 CA ILE A 34 7.854 -6.468 1.563 1.00 0.00 C ATOM 547 C ILE A 34 7.778 -7.390 2.775 1.00 0.00 C ATOM 548 O ILE A 34 6.903 -7.242 3.628 1.00 0.00 O ATOM 549 CB ILE A 34 8.922 -5.386 1.819 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.355 -4.263 2.690 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.437 -4.828 0.500 1.00 0.00 C ATOM 552 CD1 ILE A 34 7.902 -4.727 4.057 1.00 0.00 C ATOM 0 H ILE A 34 6.216 -5.217 1.960 1.00 0.00 H new ATOM 0 HA ILE A 34 8.143 -7.048 0.686 1.00 0.00 H new ATOM 0 HB ILE A 34 9.755 -5.844 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.114 -3.490 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.512 -3.804 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.190 -4.065 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.880 -5.632 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.610 -4.386 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.512 -3.878 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.120 -5.478 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.747 -5.159 4.593 1.00 0.00 H new ATOM 564 N TYR A 35 8.702 -8.344 2.844 1.00 0.00 N ATOM 565 CA TYR A 35 8.742 -9.292 3.951 1.00 0.00 C ATOM 566 C TYR A 35 10.140 -9.883 4.106 1.00 0.00 C ATOM 567 O TYR A 35 11.002 -9.697 3.248 1.00 0.00 O ATOM 568 CB TYR A 35 7.727 -10.414 3.730 1.00 0.00 C ATOM 569 CG TYR A 35 6.299 -9.927 3.609 1.00 0.00 C ATOM 570 CD1 TYR A 35 5.770 -9.567 2.376 1.00 0.00 C ATOM 571 CD2 TYR A 35 5.482 -9.828 4.728 1.00 0.00 C ATOM 572 CE1 TYR A 35 4.467 -9.122 2.261 1.00 0.00 C ATOM 573 CE2 TYR A 35 4.177 -9.384 4.621 1.00 0.00 C ATOM 574 CZ TYR A 35 3.675 -9.033 3.386 1.00 0.00 C ATOM 575 OH TYR A 35 2.377 -8.590 3.276 1.00 0.00 O ATOM 0 H TYR A 35 9.433 -8.480 2.146 1.00 0.00 H new ATOM 0 HA TYR A 35 8.486 -8.756 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.993 -10.960 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.792 -11.119 4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.387 -9.636 1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.872 -10.102 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.071 -8.845 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.554 -9.313 5.500 1.00 0.00 H new ATOM 0 HH TYR A 35 1.956 -8.587 4.161 1.00 0.00 H new ATOM 585 N ASP A 36 10.356 -10.595 5.207 1.00 0.00 N ATOM 586 CA ASP A 36 11.649 -11.214 5.472 1.00 0.00 C ATOM 587 C ASP A 36 11.764 -12.557 4.760 1.00 0.00 C ATOM 588 O ASP A 36 10.861 -13.391 4.838 1.00 0.00 O ATOM 589 CB ASP A 36 11.850 -11.402 6.978 1.00 0.00 C ATOM 590 CG ASP A 36 13.281 -11.144 7.406 1.00 0.00 C ATOM 591 OD1 ASP A 36 14.145 -12.007 7.144 1.00 0.00 O ATOM 592 OD2 ASP A 36 13.538 -10.078 8.004 1.00 0.00 O ATOM 0 H ASP A 36 9.654 -10.757 5.929 1.00 0.00 H new ATOM 0 HA ASP A 36 12.426 -10.552 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.185 -10.728 7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.568 -12.418 7.256 1.00 0.00 H new ATOM 597 N ARG A 37 12.877 -12.760 4.064 1.00 0.00 N ATOM 598 CA ARG A 37 13.108 -14.002 3.336 1.00 0.00 C ATOM 599 C ARG A 37 13.681 -15.076 4.258 1.00 0.00 C ATOM 600 O ARG A 37 14.749 -15.631 3.995 1.00 0.00 O ATOM 601 CB ARG A 37 14.058 -13.759 2.161 1.00 0.00 C ATOM 602 CG ARG A 37 13.478 -12.848 1.090 1.00 0.00 C ATOM 603 CD ARG A 37 12.455 -13.577 0.234 1.00 0.00 C ATOM 604 NE ARG A 37 11.128 -13.578 0.846 1.00 0.00 N ATOM 605 CZ ARG A 37 10.154 -14.417 0.503 1.00 0.00 C ATOM 606 NH1 ARG A 37 10.353 -15.324 -0.445 1.00 0.00 N ATOM 607 NH2 ARG A 37 8.977 -14.349 1.110 1.00 0.00 N ATOM 0 H ARG A 37 13.634 -12.080 3.989 1.00 0.00 H new ATOM 0 HA ARG A 37 12.150 -14.353 2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 37 14.983 -13.322 2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.318 -14.717 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.010 -11.983 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.281 -12.471 0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.401 -13.105 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.782 -14.605 0.076 1.00 0.00 H new ATOM 0 HE ARG A 37 10.937 -12.895 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.256 -15.381 -0.915 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.602 -15.965 -0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.819 -13.654 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.230 -14.992 0.847 1.00 0.00 H new ATOM 621 N GLU A 38 12.963 -15.365 5.339 1.00 0.00 N ATOM 622 CA GLU A 38 13.396 -16.371 6.302 1.00 0.00 C ATOM 623 C GLU A 38 12.399 -16.486 7.450 1.00 0.00 C ATOM 624 O GLU A 38 12.099 -17.584 7.919 1.00 0.00 O ATOM 625 CB GLU A 38 14.783 -16.022 6.849 1.00 0.00 C ATOM 626 CG GLU A 38 15.686 -17.232 7.031 1.00 0.00 C ATOM 627 CD GLU A 38 17.079 -16.853 7.498 1.00 0.00 C ATOM 628 OE1 GLU A 38 17.860 -16.335 6.673 1.00 0.00 O ATOM 629 OE2 GLU A 38 17.387 -17.077 8.687 1.00 0.00 O ATOM 0 H GLU A 38 12.077 -14.916 5.570 1.00 0.00 H new ATOM 0 HA GLU A 38 13.447 -17.331 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.265 -15.317 6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.670 -15.516 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.236 -17.911 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.757 -17.773 6.088 1.00 0.00 H new ATOM 636 N THR A 39 11.890 -15.343 7.899 1.00 0.00 N ATOM 637 CA THR A 39 10.927 -15.311 8.994 1.00 0.00 C ATOM 638 C THR A 39 9.549 -14.870 8.505 1.00 0.00 C ATOM 639 O THR A 39 8.540 -15.117 9.166 1.00 0.00 O ATOM 640 CB THR A 39 11.413 -14.371 10.098 1.00 0.00 C ATOM 641 OG1 THR A 39 12.050 -13.233 9.543 1.00 0.00 O ATOM 642 CG2 THR A 39 12.389 -15.023 11.052 1.00 0.00 C ATOM 0 H THR A 39 12.129 -14.426 7.521 1.00 0.00 H new ATOM 0 HA THR A 39 10.840 -16.321 9.394 1.00 0.00 H new ATOM 0 HB THR A 39 10.518 -14.091 10.654 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.352 -12.643 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.694 -14.302 11.810 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.912 -15.876 11.534 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.266 -15.362 10.500 1.00 0.00 H new ATOM 650 N LYS A 40 9.510 -14.214 7.347 1.00 0.00 N ATOM 651 CA LYS A 40 8.252 -13.739 6.778 1.00 0.00 C ATOM 652 C LYS A 40 7.671 -12.604 7.614 1.00 0.00 C ATOM 653 O LYS A 40 6.460 -12.382 7.620 1.00 0.00 O ATOM 654 CB LYS A 40 7.245 -14.888 6.677 1.00 0.00 C ATOM 655 CG LYS A 40 6.708 -15.107 5.273 1.00 0.00 C ATOM 656 CD LYS A 40 5.262 -15.574 5.298 1.00 0.00 C ATOM 657 CE LYS A 40 4.630 -15.503 3.918 1.00 0.00 C ATOM 658 NZ LYS A 40 3.615 -16.574 3.715 1.00 0.00 N ATOM 0 H LYS A 40 10.334 -14.000 6.786 1.00 0.00 H new ATOM 0 HA LYS A 40 8.455 -13.359 5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.719 -15.807 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.410 -14.688 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.783 -14.180 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.322 -15.846 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.216 -16.598 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.691 -14.958 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.161 -14.528 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.407 -15.590 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.208 -16.490 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.067 -17.505 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.860 -16.476 4.424 1.00 0.00 H new ATOM 672 N LYS A 41 8.540 -11.890 8.321 1.00 0.00 N ATOM 673 CA LYS A 41 8.113 -10.778 9.162 1.00 0.00 C ATOM 674 C LYS A 41 8.132 -9.466 8.379 1.00 0.00 C ATOM 675 O LYS A 41 9.174 -9.059 7.863 1.00 0.00 O ATOM 676 CB LYS A 41 9.018 -10.665 10.391 1.00 0.00 C ATOM 677 CG LYS A 41 8.454 -11.350 11.625 1.00 0.00 C ATOM 678 CD LYS A 41 8.687 -10.522 12.880 1.00 0.00 C ATOM 679 CE LYS A 41 7.634 -9.437 13.033 1.00 0.00 C ATOM 680 NZ LYS A 41 7.666 -8.820 14.388 1.00 0.00 N ATOM 0 H LYS A 41 9.545 -12.062 8.328 1.00 0.00 H new ATOM 0 HA LYS A 41 7.091 -10.972 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.990 -11.098 10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.184 -9.611 10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.385 -11.518 11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.918 -12.329 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.671 -11.172 13.755 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.677 -10.067 12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.795 -8.666 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.647 -9.861 12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.933 -8.085 14.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.488 -9.551 15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.600 -8.393 14.553 1.00 0.00 H new ATOM 694 N PRO A 42 6.977 -8.780 8.276 1.00 0.00 N ATOM 695 CA PRO A 42 6.879 -7.510 7.548 1.00 0.00 C ATOM 696 C PRO A 42 7.861 -6.466 8.069 1.00 0.00 C ATOM 697 O PRO A 42 7.884 -6.162 9.262 1.00 0.00 O ATOM 698 CB PRO A 42 5.437 -7.057 7.801 1.00 0.00 C ATOM 699 CG PRO A 42 4.698 -8.302 8.144 1.00 0.00 C ATOM 700 CD PRO A 42 5.684 -9.184 8.855 1.00 0.00 C ATOM 0 HA PRO A 42 7.121 -7.631 6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.388 -6.332 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.013 -6.577 6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.840 -8.084 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.315 -8.788 7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.659 -9.027 9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.478 -10.240 8.681 1.00 0.00 H new ATOM 708 N LYS A 43 8.669 -5.917 7.167 1.00 0.00 N ATOM 709 CA LYS A 43 9.652 -4.905 7.538 1.00 0.00 C ATOM 710 C LYS A 43 8.963 -3.650 8.065 1.00 0.00 C ATOM 711 O LYS A 43 9.463 -2.993 8.977 1.00 0.00 O ATOM 712 CB LYS A 43 10.535 -4.554 6.340 1.00 0.00 C ATOM 713 CG LYS A 43 11.778 -5.423 6.224 1.00 0.00 C ATOM 714 CD LYS A 43 11.421 -6.900 6.168 1.00 0.00 C ATOM 715 CE LYS A 43 12.663 -7.768 6.053 1.00 0.00 C ATOM 716 NZ LYS A 43 13.154 -7.853 4.650 1.00 0.00 N ATOM 0 H LYS A 43 8.662 -6.156 6.175 1.00 0.00 H new ATOM 0 HA LYS A 43 10.279 -5.315 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.948 -4.650 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.838 -3.510 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.334 -5.148 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.434 -5.238 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.865 -7.175 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.766 -7.085 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.450 -7.362 6.689 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.441 -8.770 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.110 -8.262 4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.514 -8.456 4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.181 -6.901 4.233 1.00 0.00 H new ATOM 730 N GLY A 44 7.809 -3.327 7.489 1.00 0.00 N ATOM 731 CA GLY A 44 7.068 -2.155 7.920 1.00 0.00 C ATOM 732 C GLY A 44 6.652 -1.256 6.769 1.00 0.00 C ATOM 733 O GLY A 44 6.574 -0.038 6.927 1.00 0.00 O ATOM 0 H GLY A 44 7.374 -3.855 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.179 -2.474 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.679 -1.582 8.618 1.00 0.00 H new ATOM 737 N PHE A 45 6.377 -1.852 5.611 1.00 0.00 N ATOM 738 CA PHE A 45 5.961 -1.085 4.440 1.00 0.00 C ATOM 739 C PHE A 45 5.671 -2.001 3.254 1.00 0.00 C ATOM 740 O PHE A 45 5.739 -3.226 3.367 1.00 0.00 O ATOM 741 CB PHE A 45 7.030 -0.056 4.061 1.00 0.00 C ATOM 742 CG PHE A 45 8.364 -0.657 3.721 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.216 -1.097 4.721 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.768 -0.774 2.401 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.447 -1.645 4.409 1.00 0.00 C ATOM 746 CE2 PHE A 45 9.997 -1.321 2.083 1.00 0.00 C ATOM 747 CZ PHE A 45 10.837 -1.756 3.089 1.00 0.00 C ATOM 0 H PHE A 45 6.434 -2.859 5.459 1.00 0.00 H new ATOM 0 HA PHE A 45 5.042 -0.559 4.698 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.676 0.523 3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.158 0.642 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.916 -1.011 5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.115 -0.434 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.102 -1.986 5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.300 -1.408 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.798 -2.183 2.844 1.00 0.00 H new ATOM 757 N GLY A 46 5.344 -1.397 2.116 1.00 0.00 N ATOM 758 CA GLY A 46 5.046 -2.170 0.924 1.00 0.00 C ATOM 759 C GLY A 46 5.127 -1.338 -0.341 1.00 0.00 C ATOM 760 O GLY A 46 5.565 -0.187 -0.308 1.00 0.00 O ATOM 0 H GLY A 46 5.280 -0.386 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.744 -3.004 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.047 -2.597 1.011 1.00 0.00 H new ATOM 764 N PHE A 47 4.705 -1.920 -1.458 1.00 0.00 N ATOM 765 CA PHE A 47 4.734 -1.223 -2.739 1.00 0.00 C ATOM 766 C PHE A 47 3.540 -1.615 -3.604 1.00 0.00 C ATOM 767 O PHE A 47 3.134 -2.776 -3.633 1.00 0.00 O ATOM 768 CB PHE A 47 6.039 -1.532 -3.479 1.00 0.00 C ATOM 769 CG PHE A 47 7.043 -0.416 -3.419 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.835 -0.239 -2.295 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.194 0.455 -4.485 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.759 0.786 -2.238 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.117 1.482 -4.432 1.00 0.00 C ATOM 774 CZ PHE A 47 8.901 1.648 -3.308 1.00 0.00 C ATOM 0 H PHE A 47 4.339 -2.871 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 47 4.677 -0.152 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.483 -2.432 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.812 -1.750 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.728 -0.910 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.584 0.330 -5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.370 0.914 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.225 2.155 -5.270 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.623 2.450 -3.265 1.00 0.00 H new ATOM 784 N VAL A 48 2.984 -0.636 -4.312 1.00 0.00 N ATOM 785 CA VAL A 48 1.839 -0.873 -5.184 1.00 0.00 C ATOM 786 C VAL A 48 2.080 -0.287 -6.571 1.00 0.00 C ATOM 787 O VAL A 48 2.793 0.704 -6.721 1.00 0.00 O ATOM 788 CB VAL A 48 0.548 -0.268 -4.598 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.652 -0.626 -5.462 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.340 -0.735 -3.164 1.00 0.00 C ATOM 0 H VAL A 48 3.309 0.331 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 48 1.718 -1.953 -5.263 1.00 0.00 H new ATOM 0 HB VAL A 48 0.650 0.817 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.553 -0.190 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.505 -0.235 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.759 -1.710 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.576 -0.297 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.261 -1.822 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.186 -0.421 -2.553 1.00 0.00 H new ATOM 800 N GLU A 49 1.482 -0.907 -7.583 1.00 0.00 N ATOM 801 CA GLU A 49 1.634 -0.445 -8.958 1.00 0.00 C ATOM 802 C GLU A 49 0.322 0.124 -9.490 1.00 0.00 C ATOM 803 O GLU A 49 -0.636 -0.613 -9.723 1.00 0.00 O ATOM 804 CB GLU A 49 2.107 -1.592 -9.855 1.00 0.00 C ATOM 805 CG GLU A 49 2.942 -1.133 -11.039 1.00 0.00 C ATOM 806 CD GLU A 49 4.222 -1.931 -11.195 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.159 -3.056 -11.734 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.288 -1.431 -10.777 1.00 0.00 O ATOM 0 H GLU A 49 0.888 -1.730 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 49 2.383 0.347 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.692 -2.292 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.238 -2.136 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.351 -1.220 -11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.188 -0.078 -10.918 1.00 0.00 H new ATOM 815 N MET A 50 0.287 1.438 -9.677 1.00 0.00 N ATOM 816 CA MET A 50 -0.908 2.106 -10.180 1.00 0.00 C ATOM 817 C MET A 50 -0.537 3.259 -11.107 1.00 0.00 C ATOM 818 O MET A 50 0.641 3.549 -11.313 1.00 0.00 O ATOM 819 CB MET A 50 -1.756 2.624 -9.016 1.00 0.00 C ATOM 820 CG MET A 50 -2.156 1.542 -8.027 1.00 0.00 C ATOM 821 SD MET A 50 -3.574 2.013 -7.018 1.00 0.00 S ATOM 822 CE MET A 50 -4.924 1.626 -8.130 1.00 0.00 C ATOM 0 H MET A 50 1.072 2.062 -9.488 1.00 0.00 H new ATOM 0 HA MET A 50 -1.489 1.379 -10.748 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.200 3.399 -8.489 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.656 3.092 -9.413 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.390 0.627 -8.571 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.310 1.319 -7.377 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.308 2.546 -8.571 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.566 0.967 -8.921 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.721 1.129 -7.576 1.00 0.00 H new ATOM 832 N GLN A 51 -1.551 3.913 -11.665 1.00 0.00 N ATOM 833 CA GLN A 51 -1.330 5.034 -12.571 1.00 0.00 C ATOM 834 C GLN A 51 -0.821 6.255 -11.811 1.00 0.00 C ATOM 835 O GLN A 51 -0.997 6.361 -10.598 1.00 0.00 O ATOM 836 CB GLN A 51 -2.625 5.382 -13.309 1.00 0.00 C ATOM 837 CG GLN A 51 -2.985 4.391 -14.404 1.00 0.00 C ATOM 838 CD GLN A 51 -4.350 4.659 -15.007 1.00 0.00 C ATOM 839 OE1 GLN A 51 -5.307 3.926 -14.757 1.00 0.00 O ATOM 840 NE2 GLN A 51 -4.447 5.713 -15.809 1.00 0.00 N ATOM 0 H GLN A 51 -2.533 3.686 -11.506 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.573 4.739 -13.298 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.442 5.429 -12.589 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.528 6.376 -13.747 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.230 4.433 -15.189 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.964 3.381 -13.996 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.628 6.294 -15.989 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.340 5.942 -16.245 1.00 0.00 H new ATOM 849 N GLU A 52 -0.189 7.173 -12.534 1.00 0.00 N ATOM 850 CA GLU A 52 0.348 8.387 -11.929 1.00 0.00 C ATOM 851 C GLU A 52 -0.778 9.286 -11.425 1.00 0.00 C ATOM 852 O GLU A 52 -0.610 10.016 -10.447 1.00 0.00 O ATOM 853 CB GLU A 52 1.209 9.147 -12.938 1.00 0.00 C ATOM 854 CG GLU A 52 0.487 9.461 -14.239 1.00 0.00 C ATOM 855 CD GLU A 52 1.297 10.360 -15.153 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.223 11.595 -14.988 1.00 0.00 O ATOM 857 OE2 GLU A 52 2.005 9.828 -16.034 1.00 0.00 O ATOM 0 H GLU A 52 -0.036 7.100 -13.540 1.00 0.00 H new ATOM 0 HA GLU A 52 0.967 8.097 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.547 10.079 -12.485 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.100 8.559 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.261 8.530 -14.759 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.466 9.941 -14.015 1.00 0.00 H new ATOM 864 N GLU A 53 -1.922 9.229 -12.098 1.00 0.00 N ATOM 865 CA GLU A 53 -3.074 10.040 -11.718 1.00 0.00 C ATOM 866 C GLU A 53 -3.760 9.466 -10.483 1.00 0.00 C ATOM 867 O GLU A 53 -4.323 10.204 -9.674 1.00 0.00 O ATOM 868 CB GLU A 53 -4.069 10.122 -12.877 1.00 0.00 C ATOM 869 CG GLU A 53 -4.759 11.472 -12.992 1.00 0.00 C ATOM 870 CD GLU A 53 -5.478 11.871 -11.719 1.00 0.00 C ATOM 871 OE1 GLU A 53 -6.273 11.055 -11.205 1.00 0.00 O ATOM 872 OE2 GLU A 53 -5.245 12.999 -11.234 1.00 0.00 O ATOM 0 H GLU A 53 -2.077 8.630 -12.909 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.719 11.043 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.546 9.910 -13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.825 9.347 -12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.020 12.233 -13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.474 11.441 -13.814 1.00 0.00 H new ATOM 879 N SER A 54 -3.711 8.144 -10.344 1.00 0.00 N ATOM 880 CA SER A 54 -4.329 7.472 -9.207 1.00 0.00 C ATOM 881 C SER A 54 -3.504 7.669 -7.939 1.00 0.00 C ATOM 882 O SER A 54 -4.042 7.679 -6.832 1.00 0.00 O ATOM 883 CB SER A 54 -4.490 5.979 -9.498 1.00 0.00 C ATOM 884 OG SER A 54 -5.208 5.767 -10.701 1.00 0.00 O ATOM 0 H SER A 54 -3.250 7.518 -11.004 1.00 0.00 H new ATOM 0 HA SER A 54 -5.313 7.914 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.508 5.512 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.012 5.498 -8.670 1.00 0.00 H new ATOM 0 HG SER A 54 -5.295 4.805 -10.865 1.00 0.00 H new ATOM 890 N VAL A 55 -2.194 7.823 -8.107 1.00 0.00 N ATOM 891 CA VAL A 55 -1.296 8.018 -6.977 1.00 0.00 C ATOM 892 C VAL A 55 -1.581 9.335 -6.265 1.00 0.00 C ATOM 893 O VAL A 55 -1.499 9.421 -5.039 1.00 0.00 O ATOM 894 CB VAL A 55 0.179 7.997 -7.423 1.00 0.00 C ATOM 895 CG1 VAL A 55 1.103 8.005 -6.215 1.00 0.00 C ATOM 896 CG2 VAL A 55 0.454 6.790 -8.310 1.00 0.00 C ATOM 0 H VAL A 55 -1.732 7.816 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.473 7.192 -6.288 1.00 0.00 H new ATOM 0 HB VAL A 55 0.376 8.897 -8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.140 7.990 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.925 8.905 -5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.907 7.126 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.501 6.793 -8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.240 5.876 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.181 6.836 -9.195 1.00 0.00 H new ATOM 906 N SER A 56 -1.916 10.362 -7.039 1.00 0.00 N ATOM 907 CA SER A 56 -2.211 11.677 -6.482 1.00 0.00 C ATOM 908 C SER A 56 -3.585 11.696 -5.816 1.00 0.00 C ATOM 909 O SER A 56 -3.843 12.511 -4.930 1.00 0.00 O ATOM 910 CB SER A 56 -2.149 12.743 -7.577 1.00 0.00 C ATOM 911 OG SER A 56 -2.156 14.046 -7.022 1.00 0.00 O ATOM 0 H SER A 56 -1.990 10.309 -8.055 1.00 0.00 H new ATOM 0 HA SER A 56 -1.459 11.897 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.248 12.604 -8.174 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.998 12.627 -8.250 1.00 0.00 H new ATOM 0 HG SER A 56 -2.114 14.709 -7.743 1.00 0.00 H new ATOM 917 N GLU A 57 -4.463 10.794 -6.247 1.00 0.00 N ATOM 918 CA GLU A 57 -5.807 10.710 -5.690 1.00 0.00 C ATOM 919 C GLU A 57 -5.839 9.753 -4.505 1.00 0.00 C ATOM 920 O GLU A 57 -6.460 10.037 -3.480 1.00 0.00 O ATOM 921 CB GLU A 57 -6.799 10.252 -6.762 1.00 0.00 C ATOM 922 CG GLU A 57 -7.650 11.380 -7.323 1.00 0.00 C ATOM 923 CD GLU A 57 -9.087 10.962 -7.564 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.747 10.521 -6.599 1.00 0.00 O ATOM 925 OE2 GLU A 57 -9.554 11.075 -8.717 1.00 0.00 O ATOM 0 H GLU A 57 -4.267 10.112 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.096 11.702 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.249 9.782 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.453 9.490 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.632 12.222 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.215 11.727 -8.260 1.00 0.00 H new ATOM 932 N ALA A 58 -5.163 8.620 -4.651 1.00 0.00 N ATOM 933 CA ALA A 58 -5.110 7.621 -3.592 1.00 0.00 C ATOM 934 C ALA A 58 -4.519 8.213 -2.318 1.00 0.00 C ATOM 935 O ALA A 58 -5.215 8.377 -1.317 1.00 0.00 O ATOM 936 CB ALA A 58 -4.302 6.416 -4.044 1.00 0.00 C ATOM 0 H ALA A 58 -4.644 8.370 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.128 7.297 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.271 5.678 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.768 5.975 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.287 6.729 -4.288 1.00 0.00 H new ATOM 942 N ILE A 59 -3.230 8.537 -2.366 1.00 0.00 N ATOM 943 CA ILE A 59 -2.544 9.116 -1.216 1.00 0.00 C ATOM 944 C ILE A 59 -3.264 10.368 -0.721 1.00 0.00 C ATOM 945 O ILE A 59 -3.238 10.684 0.469 1.00 0.00 O ATOM 946 CB ILE A 59 -1.079 9.468 -1.557 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.313 8.209 -1.972 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.393 10.146 -0.375 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.338 8.319 -3.333 1.00 0.00 C ATOM 0 H ILE A 59 -2.640 8.408 -3.188 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.552 8.365 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.081 10.167 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.454 7.998 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.998 7.361 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.637 10.384 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.924 11.064 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.401 9.475 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.863 7.391 -3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.427 8.499 -4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.048 9.146 -3.331 1.00 0.00 H new ATOM 961 N ALA A 60 -3.907 11.076 -1.642 1.00 0.00 N ATOM 962 CA ALA A 60 -4.633 12.294 -1.303 1.00 0.00 C ATOM 963 C ALA A 60 -5.693 12.031 -0.238 1.00 0.00 C ATOM 964 O ALA A 60 -5.667 12.630 0.837 1.00 0.00 O ATOM 965 CB ALA A 60 -5.274 12.884 -2.549 1.00 0.00 C ATOM 0 H ALA A 60 -3.940 10.827 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.919 13.009 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.814 13.793 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.500 13.121 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.968 12.162 -2.978 1.00 0.00 H new ATOM 971 N LYS A 61 -6.629 11.140 -0.548 1.00 0.00 N ATOM 972 CA LYS A 61 -7.706 10.806 0.381 1.00 0.00 C ATOM 973 C LYS A 61 -7.329 9.641 1.296 1.00 0.00 C ATOM 974 O LYS A 61 -8.051 9.333 2.243 1.00 0.00 O ATOM 975 CB LYS A 61 -8.980 10.466 -0.392 1.00 0.00 C ATOM 976 CG LYS A 61 -9.846 11.676 -0.703 1.00 0.00 C ATOM 977 CD LYS A 61 -9.226 12.545 -1.788 1.00 0.00 C ATOM 978 CE LYS A 61 -10.178 12.744 -2.957 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.943 14.039 -3.651 1.00 0.00 N ATOM 0 H LYS A 61 -6.665 10.636 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.880 11.680 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.708 9.975 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.565 9.750 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.834 11.345 -1.022 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.985 12.267 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.956 13.514 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.305 12.083 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.058 11.925 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.206 12.706 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.612 14.136 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.083 14.822 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.970 14.065 -4.016 1.00 0.00 H new ATOM 993 N LEU A 62 -6.204 8.990 1.010 1.00 0.00 N ATOM 994 CA LEU A 62 -5.759 7.858 1.816 1.00 0.00 C ATOM 995 C LEU A 62 -4.862 8.312 2.963 1.00 0.00 C ATOM 996 O LEU A 62 -5.282 8.339 4.120 1.00 0.00 O ATOM 997 CB LEU A 62 -5.015 6.846 0.945 1.00 0.00 C ATOM 998 CG LEU A 62 -5.893 6.068 -0.037 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.035 5.349 -1.067 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -6.775 5.078 0.709 1.00 0.00 C ATOM 0 H LEU A 62 -5.588 9.225 0.232 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.644 7.385 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.244 7.372 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.506 6.135 1.595 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.535 6.776 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.677 4.801 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.445 6.078 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.367 4.652 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.393 4.533 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.149 4.375 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.416 5.616 1.408 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.622 8.663 2.637 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.663 9.107 3.640 1.00 0.00 C ATOM 1014 C ASP A 63 -3.200 10.305 4.424 1.00 0.00 C ATOM 1015 O ASP A 63 -4.010 11.080 3.914 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.320 9.446 2.973 1.00 0.00 C ATOM 1017 CG ASP A 63 -1.072 10.939 2.828 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.990 11.652 2.373 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.041 11.391 3.172 1.00 0.00 O ATOM 0 H ASP A 63 -3.258 8.648 1.684 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.505 8.294 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.512 9.007 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.287 8.983 1.987 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.743 10.445 5.663 1.00 0.00 N ATOM 1025 CA ASN A 64 -3.174 11.545 6.519 1.00 0.00 C ATOM 1026 C ASN A 64 -2.470 11.486 7.872 1.00 0.00 C ATOM 1027 O ASN A 64 -2.070 12.513 8.420 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.692 11.504 6.715 1.00 0.00 C ATOM 1029 CG ASN A 64 -5.415 12.513 5.846 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -6.205 12.147 4.977 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -5.146 13.793 6.076 1.00 0.00 N ATOM 0 H ASN A 64 -2.074 9.810 6.098 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.906 12.482 6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.058 10.503 6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.926 11.697 7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.602 14.518 5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.484 14.052 6.807 1.00 0.00 H new ATOM 1038 N THR A 65 -2.325 10.277 8.403 1.00 0.00 N ATOM 1039 CA THR A 65 -1.670 10.081 9.691 1.00 0.00 C ATOM 1040 C THR A 65 -1.337 8.609 9.913 1.00 0.00 C ATOM 1041 O THR A 65 -1.590 7.769 9.050 1.00 0.00 O ATOM 1042 CB THR A 65 -2.565 10.591 10.823 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.928 10.546 10.442 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.251 12.012 11.239 1.00 0.00 C ATOM 0 H THR A 65 -2.652 9.418 7.961 1.00 0.00 H new ATOM 0 HA THR A 65 -0.739 10.648 9.689 1.00 0.00 H new ATOM 0 HB THR A 65 -2.369 9.931 11.668 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.485 10.874 11.179 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.921 12.312 12.045 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.219 12.070 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.387 12.679 10.387 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.767 8.304 11.074 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.400 6.934 11.409 1.00 0.00 C ATOM 1054 C ASP A 66 -1.467 6.285 12.285 1.00 0.00 C ATOM 1055 O ASP A 66 -1.546 6.552 13.484 1.00 0.00 O ATOM 1056 CB ASP A 66 0.951 6.909 12.126 1.00 0.00 C ATOM 1057 CG ASP A 66 0.991 7.838 13.324 1.00 0.00 C ATOM 1058 OD1 ASP A 66 0.015 8.591 13.527 1.00 0.00 O ATOM 1059 OD2 ASP A 66 1.999 7.812 14.062 1.00 0.00 O ATOM 0 H ASP A 66 -0.549 8.988 11.799 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.322 6.366 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.167 5.892 12.452 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.736 7.192 11.425 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.286 5.432 11.678 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.350 4.746 12.405 1.00 0.00 C ATOM 1066 C PHE A 67 -3.146 3.234 12.372 1.00 0.00 C ATOM 1067 O PHE A 67 -2.089 2.748 11.969 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.714 5.106 11.811 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.569 5.933 12.728 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -6.349 5.329 13.701 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -5.591 7.314 12.617 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -7.137 6.088 14.546 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -6.377 8.078 13.459 1.00 0.00 C ATOM 1074 CZ PHE A 67 -7.151 7.464 14.425 1.00 0.00 C ATOM 0 H PHE A 67 -2.234 5.199 10.686 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.317 5.073 13.444 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.563 5.651 10.879 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.246 4.188 11.561 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.341 4.254 13.800 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.987 7.799 11.864 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.741 5.606 15.300 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.386 9.154 13.362 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.766 8.059 15.084 1.00 0.00 H new ATOM 1084 N MET A 68 -4.166 2.496 12.799 1.00 0.00 N ATOM 1085 CA MET A 68 -4.101 1.040 12.820 1.00 0.00 C ATOM 1086 C MET A 68 -4.680 0.451 11.536 1.00 0.00 C ATOM 1087 O MET A 68 -5.478 -0.486 11.575 1.00 0.00 O ATOM 1088 CB MET A 68 -4.856 0.494 14.034 1.00 0.00 C ATOM 1089 CG MET A 68 -4.422 1.116 15.352 1.00 0.00 C ATOM 1090 SD MET A 68 -3.399 0.011 16.341 1.00 0.00 S ATOM 1091 CE MET A 68 -4.045 0.327 17.981 1.00 0.00 C ATOM 0 H MET A 68 -5.048 2.883 13.135 1.00 0.00 H new ATOM 0 HA MET A 68 -3.053 0.747 12.891 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.923 0.666 13.895 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.711 -0.585 14.086 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.869 2.033 15.151 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.306 1.396 15.925 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.510 -0.286 18.707 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.912 1.380 18.228 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.106 0.079 18.008 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.271 1.005 10.400 1.00 0.00 N ATOM 1102 CA GLY A 69 -4.758 0.522 9.122 1.00 0.00 C ATOM 1103 C GLY A 69 -5.997 1.261 8.655 1.00 0.00 C ATOM 1104 O GLY A 69 -6.900 0.664 8.070 1.00 0.00 O ATOM 0 H GLY A 69 -3.611 1.780 10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.972 0.628 8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.982 -0.542 9.201 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.039 2.565 8.912 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.175 3.386 8.513 1.00 0.00 C ATOM 1110 C ARG A 70 -6.755 4.437 7.491 1.00 0.00 C ATOM 1111 O ARG A 70 -7.459 4.681 6.511 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.794 4.066 9.736 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.142 4.710 9.456 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.195 3.672 9.101 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.425 2.730 10.195 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.182 2.997 11.257 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -11.781 4.176 11.374 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -11.339 2.083 12.205 1.00 0.00 N ATOM 0 H ARG A 70 -5.299 3.075 9.395 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.918 2.735 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.911 3.329 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.107 4.827 10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.466 5.273 10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.042 5.423 8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.130 4.174 8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.880 3.126 8.212 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.979 1.814 10.141 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.662 4.883 10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.360 4.375 12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.880 1.176 12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.919 2.287 13.019 1.00 0.00 H new ATOM 1132 N THR A 71 -5.603 5.057 7.725 1.00 0.00 N ATOM 1133 CA THR A 71 -5.088 6.082 6.825 1.00 0.00 C ATOM 1134 C THR A 71 -3.635 5.803 6.457 1.00 0.00 C ATOM 1135 O THR A 71 -3.265 5.831 5.284 1.00 0.00 O ATOM 1136 CB THR A 71 -5.211 7.468 7.465 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.382 8.403 6.798 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.839 7.488 8.931 1.00 0.00 C ATOM 0 H THR A 71 -5.008 4.867 8.531 1.00 0.00 H new ATOM 0 HA THR A 71 -5.685 6.060 5.913 1.00 0.00 H new ATOM 0 HB THR A 71 -6.264 7.735 7.372 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.640 8.454 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.949 8.500 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.495 6.814 9.482 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.805 7.164 9.048 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.815 5.532 7.468 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.402 5.246 7.248 1.00 0.00 C ATOM 1148 C ILE A 72 -0.708 6.417 6.559 1.00 0.00 C ATOM 1149 O ILE A 72 -1.364 7.291 5.989 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.211 3.975 6.394 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.188 2.881 6.833 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.223 3.479 6.493 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.097 1.621 6.001 1.00 0.00 C ATOM 0 H ILE A 72 -3.104 5.505 8.446 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.954 5.085 8.229 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.419 4.224 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.997 2.632 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.205 3.270 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.341 2.582 5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.901 4.253 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.457 3.246 7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.817 0.890 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.317 1.856 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.091 1.208 6.075 1.00 0.00 H new ATOM 1165 N ARG A 73 0.621 6.433 6.613 1.00 0.00 N ATOM 1166 CA ARG A 73 1.397 7.500 5.993 1.00 0.00 C ATOM 1167 C ARG A 73 1.829 7.105 4.582 1.00 0.00 C ATOM 1168 O ARG A 73 2.992 7.259 4.208 1.00 0.00 O ATOM 1169 CB ARG A 73 2.621 7.830 6.854 1.00 0.00 C ATOM 1170 CG ARG A 73 2.539 9.192 7.526 1.00 0.00 C ATOM 1171 CD ARG A 73 3.122 9.157 8.930 1.00 0.00 C ATOM 1172 NE ARG A 73 2.966 10.435 9.620 1.00 0.00 N ATOM 1173 CZ ARG A 73 3.054 10.581 10.940 1.00 0.00 C ATOM 1174 NH1 ARG A 73 3.297 9.532 11.716 1.00 0.00 N ATOM 1175 NH2 ARG A 73 2.899 11.780 11.485 1.00 0.00 N ATOM 0 H ARG A 73 1.181 5.720 7.079 1.00 0.00 H new ATOM 0 HA ARG A 73 0.768 8.387 5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.735 7.062 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.514 7.794 6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.075 9.927 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.499 9.515 7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.632 8.372 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.180 8.901 8.877 1.00 0.00 H new ATOM 0 HE ARG A 73 2.779 11.265 9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.417 8.608 11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.363 9.650 12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.713 12.589 10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.966 11.893 12.496 1.00 0.00 H new ATOM 1189 N VAL A 74 0.881 6.596 3.802 1.00 0.00 N ATOM 1190 CA VAL A 74 1.160 6.180 2.433 1.00 0.00 C ATOM 1191 C VAL A 74 1.620 7.361 1.583 1.00 0.00 C ATOM 1192 O VAL A 74 1.149 8.485 1.757 1.00 0.00 O ATOM 1193 CB VAL A 74 -0.079 5.534 1.780 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.223 6.533 1.688 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.267 4.981 0.406 1.00 0.00 C ATOM 0 H VAL A 74 -0.087 6.462 4.095 1.00 0.00 H new ATOM 0 HA VAL A 74 1.960 5.441 2.481 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.404 4.705 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.086 6.056 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.490 6.873 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.913 7.387 1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.620 4.529 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.621 5.790 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.048 4.227 0.503 1.00 0.00 H new ATOM 1205 N THR A 75 2.544 7.098 0.664 1.00 0.00 N ATOM 1206 CA THR A 75 3.070 8.138 -0.212 1.00 0.00 C ATOM 1207 C THR A 75 3.471 7.561 -1.565 1.00 0.00 C ATOM 1208 O THR A 75 3.408 6.350 -1.777 1.00 0.00 O ATOM 1209 CB THR A 75 4.270 8.825 0.441 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.864 9.751 -0.452 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.347 7.856 0.879 1.00 0.00 C ATOM 0 H THR A 75 2.944 6.173 0.507 1.00 0.00 H new ATOM 0 HA THR A 75 2.283 8.874 -0.373 1.00 0.00 H new ATOM 0 HB THR A 75 3.872 9.326 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.629 10.182 -0.016 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.170 8.408 1.334 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.933 7.156 1.605 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.715 7.305 0.013 1.00 0.00 H new ATOM 1219 N GLU A 76 3.886 8.436 -2.476 1.00 0.00 N ATOM 1220 CA GLU A 76 4.300 8.012 -3.808 1.00 0.00 C ATOM 1221 C GLU A 76 5.800 7.742 -3.853 1.00 0.00 C ATOM 1222 O GLU A 76 6.600 8.541 -3.366 1.00 0.00 O ATOM 1223 CB GLU A 76 3.931 9.078 -4.842 1.00 0.00 C ATOM 1224 CG GLU A 76 4.516 10.449 -4.538 1.00 0.00 C ATOM 1225 CD GLU A 76 5.033 11.149 -5.779 1.00 0.00 C ATOM 1226 OE1 GLU A 76 4.205 11.637 -6.575 1.00 0.00 O ATOM 1227 OE2 GLU A 76 6.269 11.209 -5.954 1.00 0.00 O ATOM 0 H GLU A 76 3.944 9.442 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 76 3.776 7.086 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.276 8.755 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.845 9.159 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.754 11.069 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.329 10.342 -3.820 1.00 0.00 H new ATOM 1234 N ALA A 77 6.175 6.609 -4.438 1.00 0.00 N ATOM 1235 CA ALA A 77 7.579 6.234 -4.547 1.00 0.00 C ATOM 1236 C ALA A 77 8.199 6.791 -5.823 1.00 0.00 C ATOM 1237 O ALA A 77 7.516 7.570 -6.520 1.00 0.00 O ATOM 1238 CB ALA A 77 7.723 4.719 -4.502 1.00 0.00 C ATOM 0 H ALA A 77 5.526 5.935 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 77 8.113 6.664 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.776 4.451 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.326 4.344 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.170 4.276 -5.331 1.00 0.00 H new TER 1244 ALA A 77