USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot 141:sc= 0.495 USER MOD Set 1.2: A 79 CYS SG : rot 113:sc= 0.746 USER MOD Set 1.3: A 93 CYS SG : rot 125:sc= 1.37 USER MOD Set 1.4: A 96 CYS SG : rot -41:sc= 1.4 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.534 K(o=3.5,f=2.1) USER MOD Single : A 4 HIS : no HE2:sc= 0.525 K(o=0.52,f=-2.1!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 87:sc= 0.0226 USER MOD Single : A 16 CYS SG : rot 81:sc= 0.122 USER MOD Single : A 19 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=-0.031) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= -0.007 (180deg=-0.285) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.029 K(o=-0.029,f=-0.86) USER MOD Single : A 24 GLN : amide:sc= 0.405 X(o=0.4,f=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.213 K(o=0.21,f=-0.8) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.753 (180deg=0.64) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -178:sc=-0.00193 (180deg=-0.0122) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -33:sc= 0.0864 USER MOD Single : A 52 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= -0.081 USER MOD Single : A 60 CYS SG : rot 165:sc= -0.814 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00957) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.0595 X(o=-0.06,f=-0.53) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.14) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -33:sc= 0.0993 USER MOD Single : A 105 GLN : amide:sc= 1.97 K(o=2,f=-0.0045) USER MOD Single : A 107 ASN : amide:sc= 0.325 X(o=0.33,f=-0.033) USER MOD Single : A 109 MET CE :methyl -141:sc= -0.852 (180deg=-1.76) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -174:sc= -0.0618 (180deg=-0.109) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.890 8.849 -2.491 1.00 0.00 N ATOM 39 CA HIS A 4 -14.848 8.023 -1.859 1.00 0.00 C ATOM 40 C HIS A 4 -13.671 7.717 -2.814 1.00 0.00 C ATOM 41 O HIS A 4 -12.535 7.562 -2.368 1.00 0.00 O ATOM 42 CB HIS A 4 -15.494 6.737 -1.310 1.00 0.00 C ATOM 43 CG HIS A 4 -14.680 6.010 -0.261 1.00 0.00 C ATOM 44 ND1 HIS A 4 -13.313 5.831 -0.252 1.00 0.00 N ATOM 45 CD2 HIS A 4 -15.178 5.402 0.860 1.00 0.00 C ATOM 46 CE1 HIS A 4 -12.988 5.135 0.850 1.00 0.00 C ATOM 47 NE2 HIS A 4 -14.096 4.850 1.560 1.00 0.00 N ATOM 0 HA HIS A 4 -14.411 8.586 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.465 6.989 -0.884 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.678 6.057 -2.142 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -12.661 6.169 -0.960 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.217 5.356 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -11.985 4.846 1.126 1.00 0.00 H new ATOM 55 N GLU A 5 -13.908 7.696 -4.130 1.00 0.00 N ATOM 56 CA GLU A 5 -12.881 7.519 -5.171 1.00 0.00 C ATOM 57 C GLU A 5 -11.756 8.571 -5.070 1.00 0.00 C ATOM 58 O GLU A 5 -10.570 8.239 -5.127 1.00 0.00 O ATOM 59 CB GLU A 5 -13.572 7.582 -6.546 1.00 0.00 C ATOM 60 CG GLU A 5 -12.687 7.148 -7.722 1.00 0.00 C ATOM 61 CD GLU A 5 -12.449 5.625 -7.726 1.00 0.00 C ATOM 62 OE1 GLU A 5 -13.281 4.881 -8.301 1.00 0.00 O ATOM 63 OE2 GLU A 5 -11.434 5.160 -7.156 1.00 0.00 O ATOM 0 H GLU A 5 -14.846 7.805 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.401 6.550 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.459 6.949 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.913 8.602 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.157 7.445 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.729 7.666 -7.667 1.00 0.00 H new ATOM 70 N TYR A 6 -12.125 9.840 -4.866 1.00 0.00 N ATOM 71 CA TYR A 6 -11.198 10.970 -4.721 1.00 0.00 C ATOM 72 C TYR A 6 -10.686 11.182 -3.285 1.00 0.00 C ATOM 73 O TYR A 6 -9.879 12.085 -3.052 1.00 0.00 O ATOM 74 CB TYR A 6 -11.860 12.237 -5.287 1.00 0.00 C ATOM 75 CG TYR A 6 -12.157 12.160 -6.776 1.00 0.00 C ATOM 76 CD1 TYR A 6 -11.109 11.902 -7.682 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.462 12.363 -7.263 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.359 11.830 -9.064 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.722 12.289 -8.646 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.670 12.020 -9.552 1.00 0.00 C ATOM 81 OH TYR A 6 -12.908 11.959 -10.892 1.00 0.00 O ATOM 0 H TYR A 6 -13.104 10.118 -4.795 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.302 10.733 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.790 12.421 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -11.209 13.091 -5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.105 11.758 -7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.266 12.576 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.550 11.630 -9.751 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.726 12.438 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.861 12.110 -11.062 1.00 0.00 H new ATOM 91 N SER A 7 -11.101 10.344 -2.325 1.00 0.00 N ATOM 92 CA SER A 7 -10.632 10.391 -0.933 1.00 0.00 C ATOM 93 C SER A 7 -9.111 10.231 -0.856 1.00 0.00 C ATOM 94 O SER A 7 -8.429 11.124 -0.354 1.00 0.00 O ATOM 95 CB SER A 7 -11.346 9.334 -0.081 1.00 0.00 C ATOM 96 OG SER A 7 -11.009 9.494 1.287 1.00 0.00 O ATOM 0 H SER A 7 -11.782 9.604 -2.496 1.00 0.00 H new ATOM 0 HA SER A 7 -10.880 11.372 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.425 9.422 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.065 8.336 -0.417 1.00 0.00 H new ATOM 0 HG SER A 7 -11.473 8.815 1.820 1.00 0.00 H new ATOM 102 N VAL A 8 -8.559 9.150 -1.434 1.00 0.00 N ATOM 103 CA VAL A 8 -7.101 8.900 -1.482 1.00 0.00 C ATOM 104 C VAL A 8 -6.361 10.087 -2.091 1.00 0.00 C ATOM 105 O VAL A 8 -5.386 10.572 -1.521 1.00 0.00 O ATOM 106 CB VAL A 8 -6.698 7.647 -2.294 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.392 7.075 -1.738 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.739 6.533 -2.322 1.00 0.00 C ATOM 0 H VAL A 8 -9.111 8.420 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.821 8.740 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.592 7.994 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.109 6.192 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.605 7.825 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.531 6.800 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.364 5.699 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.937 6.194 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.661 6.908 -2.766 1.00 0.00 H new ATOM 118 N VAL A 9 -6.844 10.559 -3.246 1.00 0.00 N ATOM 119 CA VAL A 9 -6.253 11.640 -4.031 1.00 0.00 C ATOM 120 C VAL A 9 -6.076 12.909 -3.190 1.00 0.00 C ATOM 121 O VAL A 9 -4.956 13.375 -2.979 1.00 0.00 O ATOM 122 CB VAL A 9 -7.131 11.950 -5.259 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.454 12.953 -6.185 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.440 10.721 -6.115 1.00 0.00 C ATOM 0 H VAL A 9 -7.690 10.181 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.269 11.309 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.055 12.345 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.099 13.150 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.273 13.882 -5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.505 12.545 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.062 11.014 -6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.509 10.289 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.970 9.983 -5.514 1.00 0.00 H new ATOM 134 N SER A 10 -7.194 13.457 -2.698 1.00 0.00 N ATOM 135 CA SER A 10 -7.248 14.680 -1.893 1.00 0.00 C ATOM 136 C SER A 10 -6.435 14.542 -0.601 1.00 0.00 C ATOM 137 O SER A 10 -5.646 15.429 -0.262 1.00 0.00 O ATOM 138 CB SER A 10 -8.713 15.004 -1.575 1.00 0.00 C ATOM 139 OG SER A 10 -8.835 16.241 -0.893 1.00 0.00 O ATOM 0 H SER A 10 -8.115 13.047 -2.855 1.00 0.00 H new ATOM 0 HA SER A 10 -6.805 15.495 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.288 15.039 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.139 14.207 -0.965 1.00 0.00 H new ATOM 0 HG SER A 10 -9.780 16.420 -0.706 1.00 0.00 H new ATOM 145 N SER A 11 -6.572 13.401 0.087 1.00 0.00 N ATOM 146 CA SER A 11 -5.836 13.111 1.326 1.00 0.00 C ATOM 147 C SER A 11 -4.322 13.100 1.111 1.00 0.00 C ATOM 148 O SER A 11 -3.609 13.760 1.864 1.00 0.00 O ATOM 149 CB SER A 11 -6.277 11.786 1.958 1.00 0.00 C ATOM 150 OG SER A 11 -7.561 11.932 2.545 1.00 0.00 O ATOM 0 H SER A 11 -7.199 12.650 -0.201 1.00 0.00 H new ATOM 0 HA SER A 11 -6.079 13.922 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.301 11.003 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.555 11.476 2.714 1.00 0.00 H new ATOM 0 HG SER A 11 -8.251 11.757 1.871 1.00 0.00 H new ATOM 156 N LEU A 12 -3.815 12.399 0.087 1.00 0.00 N ATOM 157 CA LEU A 12 -2.384 12.366 -0.222 1.00 0.00 C ATOM 158 C LEU A 12 -1.822 13.753 -0.520 1.00 0.00 C ATOM 159 O LEU A 12 -0.858 14.161 0.116 1.00 0.00 O ATOM 160 CB LEU A 12 -2.118 11.408 -1.391 1.00 0.00 C ATOM 161 CG LEU A 12 -2.149 9.934 -0.967 1.00 0.00 C ATOM 162 CD1 LEU A 12 -2.055 9.061 -2.209 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.970 9.580 -0.063 1.00 0.00 C ATOM 0 H LEU A 12 -4.386 11.841 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.866 12.001 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.864 11.574 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.146 11.636 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.078 9.765 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.076 8.011 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.898 9.272 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.123 9.273 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.028 8.528 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.036 9.764 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.003 10.195 0.836 1.00 0.00 H new ATOM 175 N ILE A 13 -2.435 14.489 -1.447 1.00 0.00 N ATOM 176 CA ILE A 13 -2.041 15.865 -1.808 1.00 0.00 C ATOM 177 C ILE A 13 -1.926 16.755 -0.558 1.00 0.00 C ATOM 178 O ILE A 13 -0.901 17.411 -0.368 1.00 0.00 O ATOM 179 CB ILE A 13 -3.012 16.425 -2.872 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.804 15.658 -4.198 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.846 17.937 -3.115 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.963 15.836 -5.176 1.00 0.00 C ATOM 0 H ILE A 13 -3.234 14.147 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.047 15.855 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.024 16.282 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.882 16.000 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.677 14.597 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.558 18.264 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.031 18.477 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.832 18.141 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.759 15.274 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.883 15.468 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.075 16.893 -5.418 1.00 0.00 H new ATOM 194 N ALA A 14 -2.928 16.734 0.328 1.00 0.00 N ATOM 195 CA ALA A 14 -2.894 17.456 1.604 1.00 0.00 C ATOM 196 C ALA A 14 -1.734 17.013 2.528 1.00 0.00 C ATOM 197 O ALA A 14 -1.017 17.855 3.071 1.00 0.00 O ATOM 198 CB ALA A 14 -4.255 17.299 2.293 1.00 0.00 C ATOM 0 H ALA A 14 -3.791 16.212 0.178 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.701 18.508 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.245 17.831 3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.036 17.712 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.453 16.242 2.471 1.00 0.00 H new ATOM 204 N LEU A 15 -1.530 15.703 2.702 1.00 0.00 N ATOM 205 CA LEU A 15 -0.467 15.113 3.532 1.00 0.00 C ATOM 206 C LEU A 15 0.941 15.469 3.000 1.00 0.00 C ATOM 207 O LEU A 15 1.823 15.870 3.762 1.00 0.00 O ATOM 208 CB LEU A 15 -0.721 13.586 3.606 1.00 0.00 C ATOM 209 CG LEU A 15 -0.307 12.840 4.887 1.00 0.00 C ATOM 210 CD1 LEU A 15 1.189 12.890 5.154 1.00 0.00 C ATOM 211 CD2 LEU A 15 -1.048 13.347 6.127 1.00 0.00 C ATOM 0 H LEU A 15 -2.118 14.999 2.256 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.495 15.528 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.787 13.418 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.202 13.121 2.768 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.589 11.804 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.413 12.345 6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.723 12.433 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.505 13.928 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.718 12.787 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.833 14.406 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.121 13.210 5.991 1.00 0.00 H new ATOM 223 N CYS A 16 1.143 15.387 1.683 1.00 0.00 N ATOM 224 CA CYS A 16 2.355 15.812 0.983 1.00 0.00 C ATOM 225 C CYS A 16 2.642 17.310 1.168 1.00 0.00 C ATOM 226 O CYS A 16 3.767 17.682 1.505 1.00 0.00 O ATOM 227 CB CYS A 16 2.221 15.480 -0.508 1.00 0.00 C ATOM 228 SG CYS A 16 2.157 13.688 -0.782 1.00 0.00 S ATOM 0 H CYS A 16 0.438 15.008 1.051 1.00 0.00 H new ATOM 0 HA CYS A 16 3.197 15.271 1.414 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.318 15.943 -0.906 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.064 15.904 -1.054 1.00 0.00 H new ATOM 0 HG CYS A 16 0.954 13.255 -0.545 1.00 0.00 H new ATOM 234 N GLU A 17 1.638 18.172 0.970 1.00 0.00 N ATOM 235 CA GLU A 17 1.734 19.618 1.208 1.00 0.00 C ATOM 236 C GLU A 17 2.167 19.917 2.652 1.00 0.00 C ATOM 237 O GLU A 17 3.128 20.658 2.858 1.00 0.00 O ATOM 238 CB GLU A 17 0.398 20.290 0.838 1.00 0.00 C ATOM 239 CG GLU A 17 0.434 21.827 0.781 1.00 0.00 C ATOM 240 CD GLU A 17 0.402 22.530 2.157 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.436 22.167 3.018 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.171 23.500 2.355 1.00 0.00 O ATOM 0 H GLU A 17 0.720 17.880 0.634 1.00 0.00 H new ATOM 0 HA GLU A 17 2.509 20.039 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.076 19.913 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.357 19.986 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.336 22.135 0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.415 22.174 0.192 1.00 0.00 H new ATOM 249 N GLU A 18 1.522 19.285 3.639 1.00 0.00 N ATOM 250 CA GLU A 18 1.850 19.397 5.066 1.00 0.00 C ATOM 251 C GLU A 18 3.313 19.022 5.363 1.00 0.00 C ATOM 252 O GLU A 18 4.020 19.783 6.026 1.00 0.00 O ATOM 253 CB GLU A 18 0.865 18.545 5.888 1.00 0.00 C ATOM 254 CG GLU A 18 0.980 18.730 7.407 1.00 0.00 C ATOM 255 CD GLU A 18 0.479 20.112 7.871 1.00 0.00 C ATOM 256 OE1 GLU A 18 -0.755 20.304 7.992 1.00 0.00 O ATOM 257 OE2 GLU A 18 1.313 21.009 8.139 1.00 0.00 O ATOM 0 H GLU A 18 0.734 18.663 3.462 1.00 0.00 H new ATOM 0 HA GLU A 18 1.745 20.442 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.152 18.789 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.026 17.494 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.406 17.951 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.020 18.604 7.708 1.00 0.00 H new ATOM 264 N HIS A 19 3.810 17.894 4.842 1.00 0.00 N ATOM 265 CA HIS A 19 5.227 17.539 4.974 1.00 0.00 C ATOM 266 C HIS A 19 6.151 18.563 4.304 1.00 0.00 C ATOM 267 O HIS A 19 7.183 18.908 4.878 1.00 0.00 O ATOM 268 CB HIS A 19 5.501 16.139 4.411 1.00 0.00 C ATOM 269 CG HIS A 19 5.186 15.021 5.371 1.00 0.00 C ATOM 270 ND1 HIS A 19 5.786 14.812 6.595 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.331 13.978 5.145 1.00 0.00 C ATOM 272 CE1 HIS A 19 5.292 13.671 7.107 1.00 0.00 C ATOM 273 NE2 HIS A 19 4.405 13.127 6.257 1.00 0.00 N ATOM 0 H HIS A 19 3.253 17.213 4.326 1.00 0.00 H new ATOM 0 HA HIS A 19 5.448 17.543 6.041 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.913 16.002 3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.550 16.073 4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.713 13.836 4.271 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.568 13.252 8.063 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.885 12.260 6.394 1.00 0.00 H new ATOM 281 N ALA A 20 5.805 19.082 3.121 1.00 0.00 N ATOM 282 CA ALA A 20 6.657 20.030 2.404 1.00 0.00 C ATOM 283 C ALA A 20 6.835 21.351 3.171 1.00 0.00 C ATOM 284 O ALA A 20 7.963 21.830 3.300 1.00 0.00 O ATOM 285 CB ALA A 20 6.109 20.259 0.993 1.00 0.00 C ATOM 0 H ALA A 20 4.934 18.858 2.639 1.00 0.00 H new ATOM 0 HA ALA A 20 7.653 19.595 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.748 20.966 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.090 19.313 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.098 20.661 1.056 1.00 0.00 H new ATOM 291 N LYS A 21 5.760 21.921 3.731 1.00 0.00 N ATOM 292 CA LYS A 21 5.829 23.121 4.590 1.00 0.00 C ATOM 293 C LYS A 21 6.429 22.872 5.981 1.00 0.00 C ATOM 294 O LYS A 21 6.856 23.830 6.624 1.00 0.00 O ATOM 295 CB LYS A 21 4.449 23.787 4.713 1.00 0.00 C ATOM 296 CG LYS A 21 3.440 22.930 5.495 1.00 0.00 C ATOM 297 CD LYS A 21 2.175 23.689 5.922 1.00 0.00 C ATOM 298 CE LYS A 21 2.277 24.333 7.314 1.00 0.00 C ATOM 299 NZ LYS A 21 3.125 25.555 7.346 1.00 0.00 N ATOM 0 H LYS A 21 4.813 21.565 3.603 1.00 0.00 H new ATOM 0 HA LYS A 21 6.520 23.796 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.559 24.752 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.056 23.983 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.150 22.077 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.929 22.531 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.964 24.466 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.329 23.001 5.911 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.276 24.587 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.682 23.602 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.977 26.057 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.126 25.285 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.866 26.178 6.554 1.00 0.00 H new ATOM 313 N LYS A 22 6.468 21.620 6.458 1.00 0.00 N ATOM 314 CA LYS A 22 7.113 21.223 7.727 1.00 0.00 C ATOM 315 C LYS A 22 8.622 21.050 7.545 1.00 0.00 C ATOM 316 O LYS A 22 9.411 21.537 8.354 1.00 0.00 O ATOM 317 CB LYS A 22 6.442 19.935 8.248 1.00 0.00 C ATOM 318 CG LYS A 22 6.939 19.446 9.619 1.00 0.00 C ATOM 319 CD LYS A 22 6.634 20.427 10.761 1.00 0.00 C ATOM 320 CE LYS A 22 7.023 19.803 12.107 1.00 0.00 C ATOM 321 NZ LYS A 22 6.708 20.709 13.242 1.00 0.00 N ATOM 0 H LYS A 22 6.044 20.834 5.965 1.00 0.00 H new ATOM 0 HA LYS A 22 6.980 22.010 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.367 20.103 8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.600 19.141 7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.478 18.484 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.015 19.280 9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.183 21.356 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.574 20.680 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.494 18.859 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.089 19.574 12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.984 20.255 14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.232 21.600 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.687 20.907 13.255 1.00 0.00 H new ATOM 335 N ASN A 23 9.016 20.418 6.440 1.00 0.00 N ATOM 336 CA ASN A 23 10.404 20.179 6.028 1.00 0.00 C ATOM 337 C ASN A 23 11.051 21.404 5.345 1.00 0.00 C ATOM 338 O ASN A 23 12.247 21.399 5.062 1.00 0.00 O ATOM 339 CB ASN A 23 10.415 18.933 5.119 1.00 0.00 C ATOM 340 CG ASN A 23 11.814 18.401 4.841 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.364 18.541 3.760 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.433 17.762 5.810 1.00 0.00 N ATOM 0 H ASN A 23 8.344 20.039 5.773 1.00 0.00 H new ATOM 0 HA ASN A 23 11.016 20.004 6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.821 18.147 5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.933 19.178 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.369 17.386 5.657 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.977 17.643 6.715 1.00 0.00 H new ATOM 349 N GLN A 24 10.267 22.466 5.108 1.00 0.00 N ATOM 350 CA GLN A 24 10.648 23.709 4.421 1.00 0.00 C ATOM 351 C GLN A 24 11.041 23.483 2.944 1.00 0.00 C ATOM 352 O GLN A 24 11.752 24.295 2.346 1.00 0.00 O ATOM 353 CB GLN A 24 11.716 24.482 5.228 1.00 0.00 C ATOM 354 CG GLN A 24 11.467 24.526 6.748 1.00 0.00 C ATOM 355 CD GLN A 24 10.107 25.108 7.121 1.00 0.00 C ATOM 356 OE1 GLN A 24 9.689 26.160 6.651 1.00 0.00 O ATOM 357 NE2 GLN A 24 9.352 24.431 7.957 1.00 0.00 N ATOM 0 H GLN A 24 9.292 22.481 5.409 1.00 0.00 H new ATOM 0 HA GLN A 24 9.763 24.343 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.689 24.027 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.767 25.504 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.545 23.516 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.250 25.119 7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.690 23.554 8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.428 24.782 8.209 1.00 0.00 H new ATOM 366 N ALA A 25 10.589 22.374 2.348 1.00 0.00 N ATOM 367 CA ALA A 25 10.963 21.940 1.004 1.00 0.00 C ATOM 368 C ALA A 25 10.335 22.820 -0.092 1.00 0.00 C ATOM 369 O ALA A 25 10.977 23.101 -1.106 1.00 0.00 O ATOM 370 CB ALA A 25 10.540 20.473 0.853 1.00 0.00 C ATOM 0 H ALA A 25 9.934 21.738 2.803 1.00 0.00 H new ATOM 0 HA ALA A 25 12.041 22.040 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.806 20.118 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.051 19.868 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.462 20.389 0.992 1.00 0.00 H new ATOM 376 N HIS A 26 9.083 23.251 0.115 1.00 0.00 N ATOM 377 CA HIS A 26 8.247 24.017 -0.828 1.00 0.00 C ATOM 378 C HIS A 26 8.068 23.356 -2.220 1.00 0.00 C ATOM 379 O HIS A 26 7.673 24.009 -3.187 1.00 0.00 O ATOM 380 CB HIS A 26 8.727 25.479 -0.871 1.00 0.00 C ATOM 381 CG HIS A 26 8.678 26.158 0.479 1.00 0.00 C ATOM 382 ND1 HIS A 26 9.691 26.199 1.414 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.598 26.810 1.012 1.00 0.00 C ATOM 384 CE1 HIS A 26 9.235 26.866 2.489 1.00 0.00 C ATOM 385 NE2 HIS A 26 7.963 27.257 2.289 1.00 0.00 N ATOM 0 H HIS A 26 8.597 23.066 0.992 1.00 0.00 H new ATOM 0 HA HIS A 26 7.226 24.011 -0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.749 25.509 -1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.110 26.037 -1.575 1.00 0.00 H new ATOM 0 HD1 HIS A 26 10.622 25.795 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.640 26.954 0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.807 27.060 3.384 1.00 0.00 H new ATOM 393 N LYS A 27 8.345 22.048 -2.313 1.00 0.00 N ATOM 394 CA LYS A 27 8.167 21.133 -3.456 1.00 0.00 C ATOM 395 C LYS A 27 8.283 19.677 -2.989 1.00 0.00 C ATOM 396 O LYS A 27 8.638 19.416 -1.838 1.00 0.00 O ATOM 397 CB LYS A 27 9.187 21.453 -4.571 1.00 0.00 C ATOM 398 CG LYS A 27 10.644 21.274 -4.118 1.00 0.00 C ATOM 399 CD LYS A 27 11.636 21.959 -5.071 1.00 0.00 C ATOM 400 CE LYS A 27 12.943 22.332 -4.350 1.00 0.00 C ATOM 401 NZ LYS A 27 12.753 23.458 -3.393 1.00 0.00 N ATOM 0 H LYS A 27 8.738 21.553 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 27 7.170 21.275 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.996 20.806 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.040 22.479 -4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.764 21.684 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.876 20.211 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.857 21.295 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.180 22.857 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.322 21.462 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.698 22.607 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.680 23.788 -3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.259 24.239 -3.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.187 23.134 -2.583 1.00 0.00 H new ATOM 415 N ILE A 28 8.036 18.739 -3.895 1.00 0.00 N ATOM 416 CA ILE A 28 8.271 17.295 -3.740 1.00 0.00 C ATOM 417 C ILE A 28 9.374 16.879 -4.746 1.00 0.00 C ATOM 418 O ILE A 28 9.891 17.701 -5.507 1.00 0.00 O ATOM 419 CB ILE A 28 6.912 16.542 -3.880 1.00 0.00 C ATOM 420 CG1 ILE A 28 5.836 17.088 -2.901 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.029 15.019 -3.650 1.00 0.00 C ATOM 422 CD1 ILE A 28 4.405 16.674 -3.269 1.00 0.00 C ATOM 0 H ILE A 28 7.646 18.970 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 28 8.644 17.025 -2.752 1.00 0.00 H new ATOM 0 HB ILE A 28 6.610 16.722 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.060 16.735 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.896 18.176 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.048 14.558 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.716 14.592 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.405 14.831 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.707 17.091 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.162 17.050 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.328 15.587 -3.264 1.00 0.00 H new ATOM 434 N GLU A 29 9.788 15.614 -4.743 1.00 0.00 N ATOM 435 CA GLU A 29 10.490 14.959 -5.853 1.00 0.00 C ATOM 436 C GLU A 29 9.658 13.779 -6.378 1.00 0.00 C ATOM 437 O GLU A 29 9.243 13.778 -7.540 1.00 0.00 O ATOM 438 CB GLU A 29 11.899 14.518 -5.420 1.00 0.00 C ATOM 439 CG GLU A 29 12.734 14.014 -6.608 1.00 0.00 C ATOM 440 CD GLU A 29 14.171 13.590 -6.230 1.00 0.00 C ATOM 441 OE1 GLU A 29 14.644 13.873 -5.103 1.00 0.00 O ATOM 442 OE2 GLU A 29 14.846 12.964 -7.082 1.00 0.00 O ATOM 0 H GLU A 29 9.642 14.995 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 29 10.612 15.672 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.411 15.355 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.818 13.729 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.224 13.166 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.784 14.799 -7.363 1.00 0.00 H new ATOM 449 N ARG A 30 9.416 12.765 -5.530 1.00 0.00 N ATOM 450 CA ARG A 30 8.847 11.471 -5.937 1.00 0.00 C ATOM 451 C ARG A 30 8.100 10.776 -4.791 1.00 0.00 C ATOM 452 O ARG A 30 8.719 10.315 -3.832 1.00 0.00 O ATOM 453 CB ARG A 30 9.995 10.622 -6.520 1.00 0.00 C ATOM 454 CG ARG A 30 9.512 9.468 -7.405 1.00 0.00 C ATOM 455 CD ARG A 30 10.666 9.005 -8.307 1.00 0.00 C ATOM 456 NE ARG A 30 10.225 7.951 -9.231 1.00 0.00 N ATOM 457 CZ ARG A 30 10.331 7.882 -10.542 1.00 0.00 C ATOM 458 NH1 ARG A 30 10.957 8.782 -11.251 1.00 0.00 N ATOM 459 NH2 ARG A 30 9.791 6.882 -11.169 1.00 0.00 N ATOM 0 H ARG A 30 9.613 12.823 -4.531 1.00 0.00 H new ATOM 0 HA ARG A 30 8.084 11.618 -6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.653 11.266 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.589 10.217 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.164 8.641 -6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.666 9.790 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.051 9.853 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.486 8.634 -7.692 1.00 0.00 H new ATOM 0 HE ARG A 30 9.768 7.152 -8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.391 9.582 -10.791 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.012 8.685 -12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.292 6.162 -10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.866 6.816 -12.184 1.00 0.00 H new ATOM 473 N VAL A 31 6.769 10.742 -4.852 1.00 0.00 N ATOM 474 CA VAL A 31 5.919 10.012 -3.892 1.00 0.00 C ATOM 475 C VAL A 31 5.902 8.510 -4.209 1.00 0.00 C ATOM 476 O VAL A 31 5.990 8.111 -5.372 1.00 0.00 O ATOM 477 CB VAL A 31 4.490 10.594 -3.809 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.529 12.112 -3.584 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.601 10.335 -5.029 1.00 0.00 C ATOM 0 H VAL A 31 6.237 11.225 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 31 6.361 10.143 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 31 4.047 10.063 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.511 12.498 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.050 12.328 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.054 12.589 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.621 10.785 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.061 10.775 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.487 9.261 -5.175 1.00 0.00 H new ATOM 489 N VAL A 32 5.783 7.671 -3.180 1.00 0.00 N ATOM 490 CA VAL A 32 5.927 6.206 -3.256 1.00 0.00 C ATOM 491 C VAL A 32 4.717 5.536 -2.605 1.00 0.00 C ATOM 492 O VAL A 32 4.494 5.693 -1.404 1.00 0.00 O ATOM 493 CB VAL A 32 7.251 5.752 -2.599 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.484 4.256 -2.841 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.468 6.498 -3.166 1.00 0.00 C ATOM 0 H VAL A 32 5.577 7.998 -2.236 1.00 0.00 H new ATOM 0 HA VAL A 32 5.965 5.902 -4.302 1.00 0.00 H new ATOM 0 HB VAL A 32 7.153 5.971 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.420 3.953 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.661 3.685 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.537 4.065 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.374 6.144 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.542 6.312 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.353 7.568 -2.990 1.00 0.00 H new ATOM 505 N VAL A 33 3.910 4.815 -3.392 1.00 0.00 N ATOM 506 CA VAL A 33 2.607 4.257 -2.985 1.00 0.00 C ATOM 507 C VAL A 33 2.491 2.780 -3.362 1.00 0.00 C ATOM 508 O VAL A 33 2.525 2.416 -4.536 1.00 0.00 O ATOM 509 CB VAL A 33 1.428 5.068 -3.565 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.090 4.566 -3.003 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.533 6.565 -3.228 1.00 0.00 C ATOM 0 H VAL A 33 4.149 4.595 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 33 2.554 4.333 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 33 1.472 4.932 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.725 5.153 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.044 3.516 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.088 4.672 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.682 7.095 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.534 6.695 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.457 6.967 -3.643 1.00 0.00 H new ATOM 521 N GLY A 34 2.358 1.917 -2.357 1.00 0.00 N ATOM 522 CA GLY A 34 2.195 0.476 -2.507 1.00 0.00 C ATOM 523 C GLY A 34 0.760 0.082 -2.847 1.00 0.00 C ATOM 524 O GLY A 34 -0.186 0.557 -2.219 1.00 0.00 O ATOM 0 H GLY A 34 2.361 2.215 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.862 0.118 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.495 -0.018 -1.583 1.00 0.00 H new ATOM 528 N ILE A 35 0.603 -0.816 -3.820 1.00 0.00 N ATOM 529 CA ILE A 35 -0.664 -1.427 -4.246 1.00 0.00 C ATOM 530 C ILE A 35 -0.471 -2.950 -4.301 1.00 0.00 C ATOM 531 O ILE A 35 0.524 -3.434 -4.846 1.00 0.00 O ATOM 532 CB ILE A 35 -1.141 -0.849 -5.601 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.202 0.700 -5.567 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.515 -1.450 -5.948 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.840 1.363 -6.795 1.00 0.00 C ATOM 0 H ILE A 35 1.396 -1.157 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.450 -1.193 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.422 -1.120 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.759 1.005 -4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.188 1.084 -5.454 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.858 -1.048 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.430 -2.534 -6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.232 -1.194 -5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.832 2.446 -6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.273 1.097 -7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.868 1.017 -6.902 1.00 0.00 H new ATOM 547 N GLY A 36 -1.396 -3.702 -3.696 1.00 0.00 N ATOM 548 CA GLY A 36 -1.284 -5.156 -3.524 1.00 0.00 C ATOM 549 C GLY A 36 -1.256 -5.938 -4.843 1.00 0.00 C ATOM 550 O GLY A 36 -1.967 -5.613 -5.797 1.00 0.00 O ATOM 0 H GLY A 36 -2.255 -3.314 -3.307 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.376 -5.377 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.123 -5.507 -2.923 1.00 0.00 H new ATOM 554 N GLU A 37 -0.472 -7.018 -4.895 1.00 0.00 N ATOM 555 CA GLU A 37 -0.218 -7.809 -6.111 1.00 0.00 C ATOM 556 C GLU A 37 -1.458 -8.589 -6.588 1.00 0.00 C ATOM 557 O GLU A 37 -1.522 -9.009 -7.746 1.00 0.00 O ATOM 558 CB GLU A 37 0.999 -8.742 -5.921 1.00 0.00 C ATOM 559 CG GLU A 37 0.776 -9.853 -4.885 1.00 0.00 C ATOM 560 CD GLU A 37 1.947 -10.844 -4.753 1.00 0.00 C ATOM 561 OE1 GLU A 37 2.522 -11.291 -5.774 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.267 -11.232 -3.602 1.00 0.00 O ATOM 0 H GLU A 37 0.017 -7.379 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 37 0.017 -7.098 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.248 -9.197 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.859 -8.144 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.592 -9.395 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.124 -10.407 -5.152 1.00 0.00 H new ATOM 569 N ARG A 38 -2.462 -8.746 -5.709 1.00 0.00 N ATOM 570 CA ARG A 38 -3.777 -9.346 -5.983 1.00 0.00 C ATOM 571 C ARG A 38 -4.948 -8.355 -5.883 1.00 0.00 C ATOM 572 O ARG A 38 -6.100 -8.754 -6.055 1.00 0.00 O ATOM 573 CB ARG A 38 -4.000 -10.574 -5.076 1.00 0.00 C ATOM 574 CG ARG A 38 -3.016 -11.741 -5.275 1.00 0.00 C ATOM 575 CD ARG A 38 -2.881 -12.242 -6.720 1.00 0.00 C ATOM 576 NE ARG A 38 -4.157 -12.755 -7.259 1.00 0.00 N ATOM 577 CZ ARG A 38 -4.635 -13.986 -7.195 1.00 0.00 C ATOM 578 NH1 ARG A 38 -4.004 -14.958 -6.598 1.00 0.00 N ATOM 579 NH2 ARG A 38 -5.782 -14.271 -7.741 1.00 0.00 N ATOM 0 H ARG A 38 -2.373 -8.442 -4.739 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.762 -9.665 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.944 -10.250 -4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.012 -10.945 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.033 -11.431 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.333 -12.574 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.523 -11.429 -7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.130 -13.031 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.743 -12.074 -7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.102 -14.784 -6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.412 -15.892 -6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.314 -13.544 -8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.149 -15.221 -7.690 1.00 0.00 H new ATOM 593 N SER A 39 -4.680 -7.070 -5.633 1.00 0.00 N ATOM 594 CA SER A 39 -5.709 -6.016 -5.543 1.00 0.00 C ATOM 595 C SER A 39 -6.376 -5.712 -6.893 1.00 0.00 C ATOM 596 O SER A 39 -7.510 -5.234 -6.920 1.00 0.00 O ATOM 597 CB SER A 39 -5.104 -4.723 -4.983 1.00 0.00 C ATOM 598 OG SER A 39 -4.563 -4.928 -3.690 1.00 0.00 O ATOM 0 H SER A 39 -3.732 -6.723 -5.485 1.00 0.00 H new ATOM 0 HA SER A 39 -6.478 -6.398 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.324 -4.363 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.870 -3.949 -4.941 1.00 0.00 H new ATOM 0 HG SER A 39 -4.183 -4.088 -3.358 1.00 0.00 H new ATOM 604 N ALA A 40 -5.687 -6.006 -8.007 1.00 0.00 N ATOM 605 CA ALA A 40 -6.144 -5.932 -9.404 1.00 0.00 C ATOM 606 C ALA A 40 -6.707 -4.567 -9.883 1.00 0.00 C ATOM 607 O ALA A 40 -7.276 -4.484 -10.976 1.00 0.00 O ATOM 608 CB ALA A 40 -7.098 -7.110 -9.661 1.00 0.00 C ATOM 0 H ALA A 40 -4.720 -6.327 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.255 -6.015 -10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.450 -7.075 -10.692 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.572 -8.049 -9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.950 -7.042 -8.985 1.00 0.00 H new ATOM 614 N MET A 41 -6.565 -3.495 -9.093 1.00 0.00 N ATOM 615 CA MET A 41 -7.078 -2.160 -9.418 1.00 0.00 C ATOM 616 C MET A 41 -6.305 -1.483 -10.562 1.00 0.00 C ATOM 617 O MET A 41 -5.124 -1.749 -10.801 1.00 0.00 O ATOM 618 CB MET A 41 -7.112 -1.276 -8.157 1.00 0.00 C ATOM 619 CG MET A 41 -5.731 -0.937 -7.581 1.00 0.00 C ATOM 620 SD MET A 41 -5.770 0.231 -6.192 1.00 0.00 S ATOM 621 CE MET A 41 -6.412 -0.823 -4.863 1.00 0.00 C ATOM 0 H MET A 41 -6.082 -3.533 -8.195 1.00 0.00 H new ATOM 0 HA MET A 41 -8.098 -2.288 -9.782 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.631 -0.347 -8.394 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.698 -1.782 -7.390 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.251 -1.859 -7.253 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.111 -0.520 -8.375 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.525 -0.233 -3.953 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.381 -1.228 -5.156 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.717 -1.642 -4.680 1.00 0.00 H new ATOM 631 N ASP A 42 -6.974 -0.562 -11.253 1.00 0.00 N ATOM 632 CA ASP A 42 -6.422 0.222 -12.363 1.00 0.00 C ATOM 633 C ASP A 42 -5.545 1.386 -11.853 1.00 0.00 C ATOM 634 O ASP A 42 -5.991 2.528 -11.709 1.00 0.00 O ATOM 635 CB ASP A 42 -7.557 0.697 -13.281 1.00 0.00 C ATOM 636 CG ASP A 42 -8.233 -0.474 -14.012 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.634 -1.005 -14.979 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.366 -0.859 -13.635 1.00 0.00 O ATOM 0 H ASP A 42 -7.947 -0.331 -11.051 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.762 -0.415 -12.952 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.300 1.234 -12.691 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.161 1.401 -14.013 1.00 0.00 H new ATOM 643 N LYS A 43 -4.263 1.101 -11.598 1.00 0.00 N ATOM 644 CA LYS A 43 -3.231 2.053 -11.146 1.00 0.00 C ATOM 645 C LYS A 43 -3.071 3.295 -12.037 1.00 0.00 C ATOM 646 O LYS A 43 -2.723 4.373 -11.558 1.00 0.00 O ATOM 647 CB LYS A 43 -1.903 1.294 -10.998 1.00 0.00 C ATOM 648 CG LYS A 43 -1.372 0.704 -12.321 1.00 0.00 C ATOM 649 CD LYS A 43 -0.038 -0.042 -12.167 1.00 0.00 C ATOM 650 CE LYS A 43 -0.077 -1.275 -11.251 1.00 0.00 C ATOM 651 NZ LYS A 43 -0.861 -2.398 -11.833 1.00 0.00 N ATOM 0 H LYS A 43 -3.895 0.156 -11.705 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.557 2.455 -10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.153 1.969 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.035 0.486 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.116 0.021 -12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.247 1.509 -13.045 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.301 -0.354 -13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.706 0.654 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.942 -1.611 -11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.509 -0.995 -10.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.855 -3.203 -11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.841 -2.090 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.436 -2.686 -12.737 1.00 0.00 H new ATOM 665 N SER A 44 -3.382 3.146 -13.325 1.00 0.00 N ATOM 666 CA SER A 44 -3.450 4.224 -14.320 1.00 0.00 C ATOM 667 C SER A 44 -4.410 5.348 -13.897 1.00 0.00 C ATOM 668 O SER A 44 -4.055 6.524 -13.999 1.00 0.00 O ATOM 669 CB SER A 44 -3.868 3.638 -15.675 1.00 0.00 C ATOM 670 OG SER A 44 -3.814 4.614 -16.702 1.00 0.00 O ATOM 0 H SER A 44 -3.603 2.233 -13.723 1.00 0.00 H new ATOM 0 HA SER A 44 -2.460 4.672 -14.401 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.214 2.804 -15.929 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.880 3.239 -15.604 1.00 0.00 H new ATOM 0 HG SER A 44 -4.084 4.209 -17.553 1.00 0.00 H new ATOM 676 N LEU A 45 -5.589 5.007 -13.351 1.00 0.00 N ATOM 677 CA LEU A 45 -6.547 6.008 -12.852 1.00 0.00 C ATOM 678 C LEU A 45 -5.992 6.719 -11.624 1.00 0.00 C ATOM 679 O LEU A 45 -6.202 7.917 -11.459 1.00 0.00 O ATOM 680 CB LEU A 45 -7.910 5.413 -12.448 1.00 0.00 C ATOM 681 CG LEU A 45 -8.451 4.313 -13.351 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.805 3.817 -12.844 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.603 4.738 -14.814 1.00 0.00 C ATOM 0 H LEU A 45 -5.902 4.042 -13.244 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.696 6.693 -13.686 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.826 5.017 -11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.641 6.221 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.708 3.516 -13.315 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.175 3.031 -13.503 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.693 3.421 -11.835 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.515 4.644 -12.832 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.993 3.903 -15.397 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.293 5.579 -14.879 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.631 5.034 -15.210 1.00 0.00 H new ATOM 695 N PHE A 46 -5.306 5.977 -10.745 1.00 0.00 N ATOM 696 CA PHE A 46 -4.830 6.537 -9.491 1.00 0.00 C ATOM 697 C PHE A 46 -3.854 7.696 -9.742 1.00 0.00 C ATOM 698 O PHE A 46 -4.030 8.797 -9.213 1.00 0.00 O ATOM 699 CB PHE A 46 -4.196 5.466 -8.591 1.00 0.00 C ATOM 700 CG PHE A 46 -3.521 6.028 -7.349 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.265 6.789 -6.421 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.141 5.824 -7.134 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.643 7.336 -5.283 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.540 6.312 -5.964 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.282 7.072 -5.052 1.00 0.00 C ATOM 0 H PHE A 46 -5.073 4.994 -10.885 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.697 6.932 -8.961 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.967 4.759 -8.285 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.462 4.906 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.320 6.953 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.550 5.295 -7.867 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.205 7.951 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.500 6.100 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.805 7.459 -4.164 1.00 0.00 H new ATOM 715 N VAL A 47 -2.845 7.470 -10.595 1.00 0.00 N ATOM 716 CA VAL A 47 -1.883 8.519 -10.962 1.00 0.00 C ATOM 717 C VAL A 47 -2.501 9.647 -11.759 1.00 0.00 C ATOM 718 O VAL A 47 -2.197 10.808 -11.501 1.00 0.00 O ATOM 719 CB VAL A 47 -0.669 7.955 -11.700 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.862 7.417 -13.115 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.480 8.966 -11.715 1.00 0.00 C ATOM 0 H VAL A 47 -2.674 6.570 -11.044 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.548 8.940 -10.014 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.447 7.069 -11.105 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.091 7.054 -13.499 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.582 6.599 -13.098 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.234 8.214 -13.760 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.332 8.541 -12.246 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.157 9.877 -12.219 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.771 9.201 -10.691 1.00 0.00 H new ATOM 731 N SER A 48 -3.380 9.335 -12.708 1.00 0.00 N ATOM 732 CA SER A 48 -4.002 10.373 -13.524 1.00 0.00 C ATOM 733 C SER A 48 -4.931 11.270 -12.698 1.00 0.00 C ATOM 734 O SER A 48 -5.016 12.475 -12.941 1.00 0.00 O ATOM 735 CB SER A 48 -4.704 9.745 -14.725 1.00 0.00 C ATOM 736 OG SER A 48 -5.964 9.177 -14.403 1.00 0.00 O ATOM 0 H SER A 48 -3.675 8.384 -12.929 1.00 0.00 H new ATOM 0 HA SER A 48 -3.220 11.030 -13.904 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.841 10.504 -15.495 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.063 8.973 -15.149 1.00 0.00 H new ATOM 0 HG SER A 48 -5.938 8.820 -13.491 1.00 0.00 H new ATOM 742 N ALA A 49 -5.557 10.702 -11.664 1.00 0.00 N ATOM 743 CA ALA A 49 -6.332 11.433 -10.661 1.00 0.00 C ATOM 744 C ALA A 49 -5.425 12.332 -9.808 1.00 0.00 C ATOM 745 O ALA A 49 -5.700 13.527 -9.688 1.00 0.00 O ATOM 746 CB ALA A 49 -7.140 10.465 -9.787 1.00 0.00 C ATOM 0 H ALA A 49 -5.538 9.696 -11.498 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.037 12.080 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.709 11.030 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.825 9.895 -10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.461 9.782 -9.277 1.00 0.00 H new ATOM 752 N PHE A 50 -4.324 11.790 -9.268 1.00 0.00 N ATOM 753 CA PHE A 50 -3.292 12.565 -8.570 1.00 0.00 C ATOM 754 C PHE A 50 -2.813 13.757 -9.414 1.00 0.00 C ATOM 755 O PHE A 50 -2.929 14.896 -8.969 1.00 0.00 O ATOM 756 CB PHE A 50 -2.140 11.644 -8.133 1.00 0.00 C ATOM 757 CG PHE A 50 -0.935 12.381 -7.574 1.00 0.00 C ATOM 758 CD1 PHE A 50 -1.027 13.047 -6.336 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.271 12.431 -8.303 1.00 0.00 C ATOM 760 CE1 PHE A 50 0.071 13.771 -5.838 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.364 13.167 -7.810 1.00 0.00 C ATOM 762 CZ PHE A 50 1.265 13.837 -6.578 1.00 0.00 C ATOM 0 H PHE A 50 -4.124 10.790 -9.305 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.727 12.993 -7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.510 10.950 -7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.823 11.046 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.944 13.001 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.356 11.903 -9.242 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.003 14.277 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.281 13.217 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.105 14.402 -6.200 1.00 0.00 H new ATOM 772 N GLU A 51 -2.355 13.514 -10.646 1.00 0.00 N ATOM 773 CA GLU A 51 -1.887 14.533 -11.602 1.00 0.00 C ATOM 774 C GLU A 51 -2.935 15.614 -11.900 1.00 0.00 C ATOM 775 O GLU A 51 -2.617 16.802 -11.950 1.00 0.00 O ATOM 776 CB GLU A 51 -1.469 13.869 -12.923 1.00 0.00 C ATOM 777 CG GLU A 51 -0.156 13.086 -12.815 1.00 0.00 C ATOM 778 CD GLU A 51 1.100 13.983 -12.885 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.056 15.166 -12.466 1.00 0.00 O ATOM 780 OE2 GLU A 51 2.146 13.505 -13.387 1.00 0.00 O ATOM 0 H GLU A 51 -2.296 12.568 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.036 15.023 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.261 13.195 -13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.365 14.636 -13.691 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.147 12.534 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.113 12.350 -13.618 1.00 0.00 H new ATOM 787 N THR A 52 -4.193 15.216 -12.081 1.00 0.00 N ATOM 788 CA THR A 52 -5.321 16.145 -12.269 1.00 0.00 C ATOM 789 C THR A 52 -5.551 17.030 -11.035 1.00 0.00 C ATOM 790 O THR A 52 -5.758 18.238 -11.166 1.00 0.00 O ATOM 791 CB THR A 52 -6.606 15.380 -12.640 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.420 14.681 -13.853 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.812 16.293 -12.858 1.00 0.00 C ATOM 0 H THR A 52 -4.467 14.234 -12.103 1.00 0.00 H new ATOM 0 HA THR A 52 -5.060 16.805 -13.096 1.00 0.00 H new ATOM 0 HB THR A 52 -6.802 14.717 -11.797 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.935 13.847 -13.679 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.683 15.690 -13.116 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.015 16.852 -11.944 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.599 16.989 -13.669 1.00 0.00 H new ATOM 801 N PHE A 53 -5.514 16.454 -9.830 1.00 0.00 N ATOM 802 CA PHE A 53 -5.859 17.141 -8.579 1.00 0.00 C ATOM 803 C PHE A 53 -4.708 17.968 -7.968 1.00 0.00 C ATOM 804 O PHE A 53 -4.984 18.930 -7.245 1.00 0.00 O ATOM 805 CB PHE A 53 -6.373 16.106 -7.561 1.00 0.00 C ATOM 806 CG PHE A 53 -7.840 15.700 -7.683 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.384 15.249 -8.901 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.669 15.754 -6.545 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.754 14.955 -9.006 1.00 0.00 C ATOM 810 CE2 PHE A 53 -10.040 15.452 -6.644 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.588 15.077 -7.882 1.00 0.00 C ATOM 0 H PHE A 53 -5.239 15.481 -9.693 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.635 17.866 -8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.762 15.208 -7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.211 16.504 -6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.743 15.128 -9.762 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.249 16.029 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.166 14.635 -9.952 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.670 15.508 -5.769 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.647 14.883 -7.969 1.00 0.00 H new ATOM 821 N ARG A 54 -3.428 17.646 -8.233 1.00 0.00 N ATOM 822 CA ARG A 54 -2.268 18.303 -7.573 1.00 0.00 C ATOM 823 C ARG A 54 -2.123 19.800 -7.849 1.00 0.00 C ATOM 824 O ARG A 54 -1.428 20.494 -7.112 1.00 0.00 O ATOM 825 CB ARG A 54 -0.946 17.534 -7.790 1.00 0.00 C ATOM 826 CG ARG A 54 -0.496 17.152 -9.206 1.00 0.00 C ATOM 827 CD ARG A 54 -0.379 18.279 -10.234 1.00 0.00 C ATOM 828 NE ARG A 54 0.294 17.777 -11.445 1.00 0.00 N ATOM 829 CZ ARG A 54 0.477 18.377 -12.601 1.00 0.00 C ATOM 830 NH1 ARG A 54 0.127 19.613 -12.822 1.00 0.00 N ATOM 831 NH2 ARG A 54 1.028 17.703 -13.563 1.00 0.00 N ATOM 0 H ARG A 54 -3.162 16.927 -8.906 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.505 18.248 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.149 18.132 -7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.010 16.612 -7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.475 16.662 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.197 16.413 -9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.369 18.658 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.183 19.112 -9.812 1.00 0.00 H new ATOM 0 HE ARG A 54 0.671 16.832 -11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.310 20.160 -12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.290 20.034 -13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.307 16.734 -13.412 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.182 18.143 -14.470 1.00 0.00 H new ATOM 845 N GLU A 55 -2.821 20.314 -8.858 1.00 0.00 N ATOM 846 CA GLU A 55 -2.915 21.743 -9.192 1.00 0.00 C ATOM 847 C GLU A 55 -3.585 22.613 -8.105 1.00 0.00 C ATOM 848 O GLU A 55 -3.532 23.842 -8.175 1.00 0.00 O ATOM 849 CB GLU A 55 -3.633 21.917 -10.541 1.00 0.00 C ATOM 850 CG GLU A 55 -3.042 21.020 -11.640 1.00 0.00 C ATOM 851 CD GLU A 55 -3.334 21.576 -13.046 1.00 0.00 C ATOM 852 OE1 GLU A 55 -4.510 21.566 -13.486 1.00 0.00 O ATOM 853 OE2 GLU A 55 -2.379 22.026 -13.724 1.00 0.00 O ATOM 0 H GLU A 55 -3.361 19.727 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.889 22.105 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.691 21.687 -10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.567 22.959 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.965 20.934 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.456 20.016 -11.552 1.00 0.00 H new ATOM 860 N GLU A 56 -4.187 22.000 -7.079 1.00 0.00 N ATOM 861 CA GLU A 56 -4.728 22.667 -5.881 1.00 0.00 C ATOM 862 C GLU A 56 -3.655 23.394 -5.031 1.00 0.00 C ATOM 863 O GLU A 56 -3.985 24.290 -4.252 1.00 0.00 O ATOM 864 CB GLU A 56 -5.485 21.609 -5.053 1.00 0.00 C ATOM 865 CG GLU A 56 -6.296 22.140 -3.857 1.00 0.00 C ATOM 866 CD GLU A 56 -7.348 23.206 -4.237 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.029 23.064 -5.282 1.00 0.00 O ATOM 868 OE2 GLU A 56 -7.528 24.184 -3.471 1.00 0.00 O ATOM 0 H GLU A 56 -4.317 20.989 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.402 23.461 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.163 21.074 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.763 20.882 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.800 21.304 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.609 22.566 -3.126 1.00 0.00 H new ATOM 875 N SER A 57 -2.369 23.058 -5.203 1.00 0.00 N ATOM 876 CA SER A 57 -1.210 23.727 -4.584 1.00 0.00 C ATOM 877 C SER A 57 -0.063 23.909 -5.592 1.00 0.00 C ATOM 878 O SER A 57 -0.135 23.414 -6.714 1.00 0.00 O ATOM 879 CB SER A 57 -0.751 22.918 -3.364 1.00 0.00 C ATOM 880 OG SER A 57 0.241 23.624 -2.634 1.00 0.00 O ATOM 0 H SER A 57 -2.093 22.280 -5.802 1.00 0.00 H new ATOM 0 HA SER A 57 -1.509 24.724 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.604 22.710 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.354 21.956 -3.688 1.00 0.00 H new ATOM 0 HG SER A 57 0.518 23.091 -1.860 1.00 0.00 H new ATOM 886 N LEU A 58 1.006 24.611 -5.203 1.00 0.00 N ATOM 887 CA LEU A 58 2.242 24.779 -5.984 1.00 0.00 C ATOM 888 C LEU A 58 3.246 23.648 -5.703 1.00 0.00 C ATOM 889 O LEU A 58 3.800 23.060 -6.632 1.00 0.00 O ATOM 890 CB LEU A 58 2.879 26.151 -5.668 1.00 0.00 C ATOM 891 CG LEU A 58 2.284 27.389 -6.372 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.425 27.315 -7.894 1.00 0.00 C ATOM 893 CD2 LEU A 58 0.812 27.641 -6.041 1.00 0.00 C ATOM 0 H LEU A 58 1.039 25.095 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 58 1.983 24.735 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.815 26.312 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.938 26.097 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 58 2.871 28.220 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.992 28.208 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.480 27.251 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.904 26.433 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.466 28.527 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.218 26.780 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.702 27.796 -4.968 1.00 0.00 H new ATOM 905 N VAL A 59 3.463 23.315 -4.425 1.00 0.00 N ATOM 906 CA VAL A 59 4.472 22.335 -3.957 1.00 0.00 C ATOM 907 C VAL A 59 4.189 20.921 -4.483 1.00 0.00 C ATOM 908 O VAL A 59 5.099 20.116 -4.676 1.00 0.00 O ATOM 909 CB VAL A 59 4.581 22.312 -2.411 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.570 23.719 -1.796 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.483 21.510 -1.705 1.00 0.00 C ATOM 0 H VAL A 59 2.930 23.727 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 59 5.427 22.666 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 59 5.540 21.820 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.649 23.643 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.414 24.291 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.640 24.223 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.640 21.550 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.509 21.936 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.518 20.473 -2.039 1.00 0.00 H new ATOM 921 N CYS A 60 2.908 20.637 -4.726 1.00 0.00 N ATOM 922 CA CYS A 60 2.347 19.363 -5.146 1.00 0.00 C ATOM 923 C CYS A 60 2.619 19.033 -6.620 1.00 0.00 C ATOM 924 O CYS A 60 2.536 17.867 -7.011 1.00 0.00 O ATOM 925 CB CYS A 60 0.839 19.456 -4.871 1.00 0.00 C ATOM 926 SG CYS A 60 0.583 19.408 -3.072 1.00 0.00 S ATOM 0 H CYS A 60 2.186 21.350 -4.625 1.00 0.00 H new ATOM 0 HA CYS A 60 2.818 18.551 -4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.433 20.378 -5.288 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.314 18.631 -5.351 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.625 19.801 -2.795 1.00 0.00 H new ATOM 932 N LYS A 61 2.913 20.047 -7.446 1.00 0.00 N ATOM 933 CA LYS A 61 2.957 19.891 -8.912 1.00 0.00 C ATOM 934 C LYS A 61 4.274 19.307 -9.422 1.00 0.00 C ATOM 935 O LYS A 61 4.278 18.511 -10.359 1.00 0.00 O ATOM 936 CB LYS A 61 2.637 21.218 -9.617 1.00 0.00 C ATOM 937 CG LYS A 61 1.382 21.863 -9.015 1.00 0.00 C ATOM 938 CD LYS A 61 0.724 22.925 -9.893 1.00 0.00 C ATOM 939 CE LYS A 61 1.682 24.056 -10.291 1.00 0.00 C ATOM 940 NZ LYS A 61 1.000 25.077 -11.131 1.00 0.00 N ATOM 0 H LYS A 61 3.126 20.991 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 61 2.185 19.163 -9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.483 21.899 -9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.486 21.043 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.652 21.080 -8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.646 22.315 -8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.335 22.452 -10.795 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.129 23.349 -9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.081 24.529 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.530 23.641 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.675 25.827 -11.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.641 24.629 -11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.206 25.489 -10.600 1.00 0.00 H new ATOM 954 N ASP A 62 5.386 19.672 -8.786 1.00 0.00 N ATOM 955 CA ASP A 62 6.703 19.061 -8.991 1.00 0.00 C ATOM 956 C ASP A 62 6.782 17.708 -8.257 1.00 0.00 C ATOM 957 O ASP A 62 7.390 17.594 -7.192 1.00 0.00 O ATOM 958 CB ASP A 62 7.807 20.037 -8.549 1.00 0.00 C ATOM 959 CG ASP A 62 7.924 21.239 -9.500 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.385 21.054 -10.652 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.571 22.373 -9.098 1.00 0.00 O ATOM 0 H ASP A 62 5.399 20.421 -8.094 1.00 0.00 H new ATOM 0 HA ASP A 62 6.855 18.858 -10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.596 20.392 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.761 19.512 -8.509 1.00 0.00 H new ATOM 966 N ALA A 63 6.129 16.682 -8.809 1.00 0.00 N ATOM 967 CA ALA A 63 6.100 15.321 -8.270 1.00 0.00 C ATOM 968 C ALA A 63 5.968 14.251 -9.373 1.00 0.00 C ATOM 969 O ALA A 63 5.446 14.510 -10.461 1.00 0.00 O ATOM 970 CB ALA A 63 4.929 15.215 -7.282 1.00 0.00 C ATOM 0 H ALA A 63 5.590 16.779 -9.669 1.00 0.00 H new ATOM 0 HA ALA A 63 7.048 15.130 -7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.891 14.207 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.069 15.933 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.995 15.430 -7.801 1.00 0.00 H new ATOM 976 N ILE A 64 6.381 13.023 -9.048 1.00 0.00 N ATOM 977 CA ILE A 64 6.158 11.773 -9.797 1.00 0.00 C ATOM 978 C ILE A 64 5.651 10.714 -8.801 1.00 0.00 C ATOM 979 O ILE A 64 6.026 10.758 -7.628 1.00 0.00 O ATOM 980 CB ILE A 64 7.464 11.338 -10.514 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.915 12.407 -11.541 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.299 9.967 -11.203 1.00 0.00 C ATOM 983 CD1 ILE A 64 9.290 12.150 -12.166 1.00 0.00 C ATOM 0 H ILE A 64 6.918 12.859 -8.196 1.00 0.00 H new ATOM 0 HA ILE A 64 5.410 11.908 -10.578 1.00 0.00 H new ATOM 0 HB ILE A 64 8.238 11.242 -9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.173 12.463 -12.337 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.930 13.380 -11.050 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.232 9.693 -11.695 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.047 9.213 -10.457 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.501 10.026 -11.944 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.524 12.947 -12.872 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.047 12.126 -11.382 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.279 11.194 -12.689 1.00 0.00 H new ATOM 995 N LEU A 65 4.806 9.773 -9.238 1.00 0.00 N ATOM 996 CA LEU A 65 4.124 8.792 -8.384 1.00 0.00 C ATOM 997 C LEU A 65 4.559 7.354 -8.725 1.00 0.00 C ATOM 998 O LEU A 65 4.177 6.802 -9.757 1.00 0.00 O ATOM 999 CB LEU A 65 2.613 9.067 -8.502 1.00 0.00 C ATOM 1000 CG LEU A 65 1.681 8.212 -7.616 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.554 9.077 -7.049 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.046 7.062 -8.391 1.00 0.00 C ATOM 0 H LEU A 65 4.570 9.670 -10.225 1.00 0.00 H new ATOM 0 HA LEU A 65 4.403 8.896 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.439 10.117 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.321 8.922 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 65 2.298 7.802 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.097 8.464 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.979 9.881 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.025 9.504 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.399 6.489 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.456 7.461 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.828 6.413 -8.785 1.00 0.00 H new ATOM 1014 N ASP A 66 5.391 6.754 -7.870 1.00 0.00 N ATOM 1015 CA ASP A 66 5.800 5.344 -7.958 1.00 0.00 C ATOM 1016 C ASP A 66 4.734 4.409 -7.371 1.00 0.00 C ATOM 1017 O ASP A 66 4.594 4.298 -6.151 1.00 0.00 O ATOM 1018 CB ASP A 66 7.140 5.099 -7.241 1.00 0.00 C ATOM 1019 CG ASP A 66 8.361 5.531 -8.056 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.347 5.454 -9.307 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.376 5.939 -7.451 1.00 0.00 O ATOM 0 H ASP A 66 5.810 7.243 -7.079 1.00 0.00 H new ATOM 0 HA ASP A 66 5.919 5.122 -9.018 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.138 5.637 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.228 4.038 -7.006 1.00 0.00 H new ATOM 1026 N ILE A 67 4.007 3.705 -8.242 1.00 0.00 N ATOM 1027 CA ILE A 67 3.195 2.537 -7.878 1.00 0.00 C ATOM 1028 C ILE A 67 4.121 1.342 -7.591 1.00 0.00 C ATOM 1029 O ILE A 67 4.702 0.757 -8.510 1.00 0.00 O ATOM 1030 CB ILE A 67 2.163 2.220 -8.981 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.165 3.391 -9.167 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.387 0.938 -8.631 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.044 3.819 -10.633 1.00 0.00 C ATOM 0 H ILE A 67 3.964 3.932 -9.235 1.00 0.00 H new ATOM 0 HA ILE A 67 2.628 2.755 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 67 2.707 2.075 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.185 3.094 -8.795 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.489 4.241 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.662 0.725 -9.417 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.083 0.104 -8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.865 1.076 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.334 4.642 -10.714 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.018 4.143 -10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.694 2.977 -11.230 1.00 0.00 H new ATOM 1045 N VAL A 68 4.285 0.995 -6.314 1.00 0.00 N ATOM 1046 CA VAL A 68 5.070 -0.160 -5.840 1.00 0.00 C ATOM 1047 C VAL A 68 4.184 -1.408 -5.759 1.00 0.00 C ATOM 1048 O VAL A 68 3.100 -1.377 -5.180 1.00 0.00 O ATOM 1049 CB VAL A 68 5.725 0.147 -4.477 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.508 -1.050 -3.920 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.708 1.317 -4.608 1.00 0.00 C ATOM 0 H VAL A 68 3.863 1.524 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 68 5.869 -0.355 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 68 4.909 0.390 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.949 -0.781 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.833 -1.895 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.299 -1.324 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.162 1.521 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.487 1.059 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.175 2.203 -4.953 1.00 0.00 H new ATOM 1061 N ASP A 69 4.648 -2.520 -6.329 1.00 0.00 N ATOM 1062 CA ASP A 69 4.004 -3.836 -6.242 1.00 0.00 C ATOM 1063 C ASP A 69 4.189 -4.464 -4.843 1.00 0.00 C ATOM 1064 O ASP A 69 5.212 -5.087 -4.549 1.00 0.00 O ATOM 1065 CB ASP A 69 4.557 -4.728 -7.363 1.00 0.00 C ATOM 1066 CG ASP A 69 3.850 -6.090 -7.428 1.00 0.00 C ATOM 1067 OD1 ASP A 69 2.621 -6.114 -7.668 1.00 0.00 O ATOM 1068 OD2 ASP A 69 4.528 -7.137 -7.287 1.00 0.00 O ATOM 0 H ASP A 69 5.506 -2.533 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 69 2.928 -3.730 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.445 -4.217 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.625 -4.883 -7.208 1.00 0.00 H new ATOM 1073 N GLU A 70 3.217 -4.265 -3.953 1.00 0.00 N ATOM 1074 CA GLU A 70 3.185 -4.855 -2.605 1.00 0.00 C ATOM 1075 C GLU A 70 2.781 -6.334 -2.664 1.00 0.00 C ATOM 1076 O GLU A 70 1.704 -6.669 -3.161 1.00 0.00 O ATOM 1077 CB GLU A 70 2.195 -4.089 -1.707 1.00 0.00 C ATOM 1078 CG GLU A 70 2.812 -2.855 -1.038 1.00 0.00 C ATOM 1079 CD GLU A 70 3.703 -3.262 0.151 1.00 0.00 C ATOM 1080 OE1 GLU A 70 3.159 -3.509 1.255 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.940 -3.365 -0.021 1.00 0.00 O ATOM 0 H GLU A 70 2.408 -3.676 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 70 4.188 -4.780 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.338 -3.779 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.819 -4.762 -0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.402 -2.299 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.021 -2.189 -0.693 1.00 0.00 H new ATOM 1088 N LYS A 71 3.607 -7.239 -2.121 1.00 0.00 N ATOM 1089 CA LYS A 71 3.213 -8.647 -1.946 1.00 0.00 C ATOM 1090 C LYS A 71 2.004 -8.794 -1.009 1.00 0.00 C ATOM 1091 O LYS A 71 1.729 -7.899 -0.206 1.00 0.00 O ATOM 1092 CB LYS A 71 4.421 -9.533 -1.569 1.00 0.00 C ATOM 1093 CG LYS A 71 5.386 -9.046 -0.471 1.00 0.00 C ATOM 1094 CD LYS A 71 4.744 -8.878 0.913 1.00 0.00 C ATOM 1095 CE LYS A 71 5.771 -8.522 2.001 1.00 0.00 C ATOM 1096 NZ LYS A 71 6.669 -9.660 2.342 1.00 0.00 N ATOM 0 H LYS A 71 4.550 -7.024 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 71 2.869 -9.023 -2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.034 -10.504 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.006 -9.695 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.212 -9.753 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.813 -8.091 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.985 -8.097 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.234 -9.801 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.373 -7.678 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.245 -8.199 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.295 -9.386 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.097 -10.481 2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.244 -9.910 1.512 1.00 0.00 H new ATOM 1110 N VAL A 72 1.301 -9.926 -1.080 1.00 0.00 N ATOM 1111 CA VAL A 72 0.163 -10.252 -0.190 1.00 0.00 C ATOM 1112 C VAL A 72 0.427 -11.499 0.660 1.00 0.00 C ATOM 1113 O VAL A 72 1.266 -12.326 0.306 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.169 -10.398 -0.958 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.601 -9.092 -1.633 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.132 -11.508 -2.011 1.00 0.00 C ATOM 0 H VAL A 72 1.501 -10.657 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 72 0.066 -9.400 0.483 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.900 -10.666 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.543 -9.249 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.732 -8.318 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.836 -8.779 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.096 -11.562 -2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.351 -11.292 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.922 -12.462 -1.527 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.296 -11.664 1.772 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.150 -12.829 2.661 1.00 0.00 C ATOM 1128 C GLU A 73 -1.452 -13.172 3.413 1.00 0.00 C ATOM 1129 O GLU A 73 -2.164 -12.281 3.888 1.00 0.00 O ATOM 1130 CB GLU A 73 1.001 -12.550 3.643 1.00 0.00 C ATOM 1131 CG GLU A 73 1.554 -13.808 4.318 1.00 0.00 C ATOM 1132 CD GLU A 73 2.893 -13.487 5.013 1.00 0.00 C ATOM 1133 OE1 GLU A 73 2.886 -12.860 6.099 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.964 -13.846 4.466 1.00 0.00 O ATOM 0 H GLU A 73 -1.000 -10.995 2.084 1.00 0.00 H new ATOM 0 HA GLU A 73 0.078 -13.704 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.809 -12.050 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.652 -11.860 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.837 -14.185 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.698 -14.595 3.578 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.738 -14.471 3.544 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.907 -15.068 4.200 1.00 0.00 C ATOM 1143 C LEU A 74 -2.515 -15.823 5.469 1.00 0.00 C ATOM 1144 O LEU A 74 -2.082 -16.975 5.439 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.639 -16.001 3.215 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.325 -15.296 2.036 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.901 -16.339 1.082 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -5.466 -14.395 2.501 1.00 0.00 C ATOM 0 H LEU A 74 -1.114 -15.185 3.168 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.579 -14.263 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.922 -16.721 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.390 -16.568 3.766 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.573 -14.683 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.388 -15.838 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.097 -16.973 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.630 -16.953 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.925 -13.915 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.213 -14.993 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.076 -13.633 3.175 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.682 -15.146 6.596 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.642 -15.704 7.940 1.00 0.00 C ATOM 1162 C GLU A 75 -3.973 -16.373 8.322 1.00 0.00 C ATOM 1163 O GLU A 75 -5.047 -15.951 7.889 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.305 -14.538 8.877 1.00 0.00 C ATOM 1165 CG GLU A 75 -2.478 -14.846 10.355 1.00 0.00 C ATOM 1166 CD GLU A 75 -1.882 -13.739 11.246 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -2.553 -12.701 11.466 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -0.743 -13.908 11.749 1.00 0.00 O ATOM 0 H GLU A 75 -2.858 -14.141 6.598 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.893 -16.493 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.273 -14.234 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.937 -13.688 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.538 -14.962 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.997 -15.797 10.586 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.904 -17.395 9.175 1.00 0.00 N ATOM 1176 CA CYS A 76 -5.050 -18.084 9.754 1.00 0.00 C ATOM 1177 C CYS A 76 -5.518 -17.456 11.089 1.00 0.00 C ATOM 1178 O CYS A 76 -4.735 -16.863 11.837 1.00 0.00 O ATOM 1179 CB CYS A 76 -4.589 -19.520 9.963 1.00 0.00 C ATOM 1180 SG CYS A 76 -5.990 -20.682 9.953 1.00 0.00 S ATOM 0 H CYS A 76 -3.013 -17.778 9.492 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.914 -18.013 9.093 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.883 -19.794 9.179 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.058 -19.598 10.912 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.644 -21.773 9.337 1.00 0.00 H new ATOM 1185 N LYS A 77 -6.803 -17.641 11.408 1.00 0.00 N ATOM 1186 CA LYS A 77 -7.485 -17.133 12.616 1.00 0.00 C ATOM 1187 C LYS A 77 -6.926 -17.676 13.938 1.00 0.00 C ATOM 1188 O LYS A 77 -6.456 -16.906 14.775 1.00 0.00 O ATOM 1189 CB LYS A 77 -8.999 -17.417 12.517 1.00 0.00 C ATOM 1190 CG LYS A 77 -9.732 -16.479 11.543 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.876 -15.033 12.050 1.00 0.00 C ATOM 1192 CE LYS A 77 -10.752 -14.856 13.299 1.00 0.00 C ATOM 1193 NZ LYS A 77 -12.188 -15.153 13.040 1.00 0.00 N ATOM 0 H LYS A 77 -7.431 -18.174 10.806 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.296 -16.060 12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.148 -18.449 12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.445 -17.322 13.507 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.196 -16.468 10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.725 -16.883 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.882 -14.641 12.266 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.291 -14.424 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.387 -15.511 14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.657 -13.833 13.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.734 -15.018 13.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.548 -14.511 12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.287 -16.137 12.719 1.00 0.00 H new ATOM 1207 N ASP A 78 -7.029 -18.988 14.144 1.00 0.00 N ATOM 1208 CA ASP A 78 -6.742 -19.685 15.411 1.00 0.00 C ATOM 1209 C ASP A 78 -5.777 -20.867 15.186 1.00 0.00 C ATOM 1210 O ASP A 78 -6.105 -22.037 15.405 1.00 0.00 O ATOM 1211 CB ASP A 78 -8.071 -20.079 16.081 1.00 0.00 C ATOM 1212 CG ASP A 78 -7.881 -20.699 17.479 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -7.014 -20.223 18.251 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -8.636 -21.637 17.834 1.00 0.00 O ATOM 0 H ASP A 78 -7.326 -19.627 13.407 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.220 -19.021 16.100 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.705 -19.196 16.164 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.596 -20.790 15.443 1.00 0.00 H new ATOM 1219 N CYS A 79 -4.589 -20.527 14.679 1.00 0.00 N ATOM 1220 CA CYS A 79 -3.596 -21.426 14.087 1.00 0.00 C ATOM 1221 C CYS A 79 -2.157 -21.007 14.469 1.00 0.00 C ATOM 1222 O CYS A 79 -1.934 -20.326 15.475 1.00 0.00 O ATOM 1223 CB CYS A 79 -3.837 -21.365 12.573 1.00 0.00 C ATOM 1224 SG CYS A 79 -3.788 -22.971 11.735 1.00 0.00 S ATOM 0 H CYS A 79 -4.276 -19.556 14.671 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.701 -22.446 14.457 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -4.808 -20.905 12.391 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.087 -20.713 12.125 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.974 -23.266 11.293 1.00 0.00 H new ATOM 1229 N SER A 80 -1.177 -21.410 13.654 1.00 0.00 N ATOM 1230 CA SER A 80 0.241 -21.018 13.780 1.00 0.00 C ATOM 1231 C SER A 80 0.969 -21.006 12.419 1.00 0.00 C ATOM 1232 O SER A 80 2.143 -21.371 12.308 1.00 0.00 O ATOM 1233 CB SER A 80 0.937 -21.920 14.815 1.00 0.00 C ATOM 1234 OG SER A 80 2.077 -21.277 15.367 1.00 0.00 O ATOM 0 H SER A 80 -1.347 -22.035 12.866 1.00 0.00 H new ATOM 0 HA SER A 80 0.285 -19.990 14.139 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.237 -22.173 15.611 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.236 -22.856 14.344 1.00 0.00 H new ATOM 0 HG SER A 80 2.501 -21.869 16.023 1.00 0.00 H new ATOM 1240 N HIS A 81 0.248 -20.656 11.349 1.00 0.00 N ATOM 1241 CA HIS A 81 0.707 -20.748 9.959 1.00 0.00 C ATOM 1242 C HIS A 81 0.125 -19.629 9.070 1.00 0.00 C ATOM 1243 O HIS A 81 -0.994 -19.155 9.300 1.00 0.00 O ATOM 1244 CB HIS A 81 0.310 -22.140 9.438 1.00 0.00 C ATOM 1245 CG HIS A 81 0.632 -22.352 7.986 1.00 0.00 C ATOM 1246 ND1 HIS A 81 1.887 -22.546 7.450 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -0.263 -22.287 6.954 1.00 0.00 C ATOM 1248 CE1 HIS A 81 1.754 -22.590 6.114 1.00 0.00 C ATOM 1249 NE2 HIS A 81 0.465 -22.432 5.769 1.00 0.00 N ATOM 0 H HIS A 81 -0.701 -20.289 11.429 1.00 0.00 H new ATOM 0 HA HIS A 81 1.788 -20.615 9.921 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.821 -22.900 10.030 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.760 -22.284 9.589 1.00 0.00 H new ATOM 0 HD1 HIS A 81 2.758 -22.639 7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.331 -22.150 7.038 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.567 -22.732 5.417 1.00 0.00 H new ATOM 1257 N VAL A 82 0.872 -19.236 8.029 1.00 0.00 N ATOM 1258 CA VAL A 82 0.452 -18.323 6.954 1.00 0.00 C ATOM 1259 C VAL A 82 0.951 -18.823 5.583 1.00 0.00 C ATOM 1260 O VAL A 82 2.008 -19.453 5.496 1.00 0.00 O ATOM 1261 CB VAL A 82 0.909 -16.866 7.224 1.00 0.00 C ATOM 1262 CG1 VAL A 82 0.872 -16.441 8.704 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.316 -16.529 6.722 1.00 0.00 C ATOM 0 H VAL A 82 1.831 -19.561 7.907 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.638 -18.317 6.935 1.00 0.00 H new ATOM 0 HB VAL A 82 0.162 -16.314 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.208 -15.408 8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.147 -16.525 9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.529 -17.089 9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.547 -15.490 6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.042 -17.180 7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.363 -16.677 5.643 1.00 0.00 H new ATOM 1273 N PHE A 83 0.234 -18.500 4.503 1.00 0.00 N ATOM 1274 CA PHE A 83 0.574 -18.842 3.107 1.00 0.00 C ATOM 1275 C PHE A 83 0.231 -17.695 2.129 1.00 0.00 C ATOM 1276 O PHE A 83 -0.175 -16.613 2.556 1.00 0.00 O ATOM 1277 CB PHE A 83 -0.094 -20.181 2.723 1.00 0.00 C ATOM 1278 CG PHE A 83 -1.611 -20.211 2.817 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -2.405 -19.798 1.729 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -2.235 -20.671 3.991 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -3.809 -19.817 1.822 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -3.634 -20.659 4.095 1.00 0.00 C ATOM 1283 CZ PHE A 83 -4.425 -20.244 3.010 1.00 0.00 C ATOM 0 H PHE A 83 -0.636 -17.972 4.573 1.00 0.00 H new ATOM 0 HA PHE A 83 1.653 -18.972 3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.193 -20.430 1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.307 -20.964 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.933 -19.464 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.636 -21.034 4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.411 -19.504 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.106 -20.971 5.015 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.502 -20.253 3.089 1.00 0.00 H new ATOM 1293 N LYS A 84 0.398 -17.904 0.813 1.00 0.00 N ATOM 1294 CA LYS A 84 0.034 -16.939 -0.248 1.00 0.00 C ATOM 1295 C LYS A 84 -1.117 -17.449 -1.141 1.00 0.00 C ATOM 1296 O LYS A 84 -1.178 -18.650 -1.414 1.00 0.00 O ATOM 1297 CB LYS A 84 1.263 -16.602 -1.111 1.00 0.00 C ATOM 1298 CG LYS A 84 2.356 -15.856 -0.325 1.00 0.00 C ATOM 1299 CD LYS A 84 3.415 -15.232 -1.249 1.00 0.00 C ATOM 1300 CE LYS A 84 2.840 -14.026 -2.007 1.00 0.00 C ATOM 1301 NZ LYS A 84 3.820 -13.405 -2.930 1.00 0.00 N ATOM 0 H LYS A 84 0.799 -18.767 0.444 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.319 -16.037 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.679 -17.523 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.950 -15.992 -1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.897 -15.073 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.840 -16.547 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.278 -14.919 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.768 -15.979 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.965 -14.343 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.501 -13.279 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.419 -12.530 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.693 -13.183 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.036 -14.066 -3.703 1.00 0.00 H new ATOM 1315 N PRO A 85 -2.007 -16.563 -1.635 1.00 0.00 N ATOM 1316 CA PRO A 85 -3.141 -16.927 -2.490 1.00 0.00 C ATOM 1317 C PRO A 85 -2.696 -17.457 -3.864 1.00 0.00 C ATOM 1318 O PRO A 85 -2.197 -16.703 -4.705 1.00 0.00 O ATOM 1319 CB PRO A 85 -4.002 -15.662 -2.609 1.00 0.00 C ATOM 1320 CG PRO A 85 -3.021 -14.524 -2.342 1.00 0.00 C ATOM 1321 CD PRO A 85 -2.016 -15.131 -1.369 1.00 0.00 C ATOM 0 HA PRO A 85 -3.708 -17.749 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.453 -15.577 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.818 -15.664 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.537 -14.189 -3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.522 -13.657 -1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.025 -14.702 -1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.302 -14.929 -0.337 1.00 0.00 H new ATOM 1329 N ASN A 86 -2.897 -18.757 -4.097 1.00 0.00 N ATOM 1330 CA ASN A 86 -2.605 -19.452 -5.357 1.00 0.00 C ATOM 1331 C ASN A 86 -3.750 -20.407 -5.759 1.00 0.00 C ATOM 1332 O ASN A 86 -4.337 -20.248 -6.830 1.00 0.00 O ATOM 1333 CB ASN A 86 -1.246 -20.161 -5.226 1.00 0.00 C ATOM 1334 CG ASN A 86 -0.849 -20.870 -6.511 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -1.128 -22.043 -6.715 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -0.202 -20.182 -7.425 1.00 0.00 N ATOM 0 H ASN A 86 -3.282 -19.379 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.537 -18.730 -6.171 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.480 -19.432 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.291 -20.884 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.067 -20.627 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.031 -19.203 -7.256 1.00 0.00 H new ATOM 1405 N GLY A 91 -8.172 -24.082 -1.463 1.00 0.00 N ATOM 1406 CA GLY A 91 -7.595 -22.904 -0.788 1.00 0.00 C ATOM 1407 C GLY A 91 -7.792 -22.852 0.738 1.00 0.00 C ATOM 1408 O GLY A 91 -7.802 -21.770 1.326 1.00 0.00 O ATOM 0 HA2 GLY A 91 -6.526 -22.873 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.033 -22.006 -1.224 1.00 0.00 H new ATOM 1412 N VAL A 92 -7.996 -24.007 1.377 1.00 0.00 N ATOM 1413 CA VAL A 92 -7.961 -24.210 2.838 1.00 0.00 C ATOM 1414 C VAL A 92 -6.558 -23.961 3.423 1.00 0.00 C ATOM 1415 O VAL A 92 -5.559 -23.975 2.696 1.00 0.00 O ATOM 1416 CB VAL A 92 -8.427 -25.636 3.205 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -9.944 -25.796 3.068 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -7.776 -26.723 2.341 1.00 0.00 C ATOM 0 H VAL A 92 -8.200 -24.869 0.872 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.645 -23.481 3.273 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.119 -25.764 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.228 -26.814 3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.446 -25.092 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.239 -25.596 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.145 -27.702 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.026 -26.554 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.694 -26.687 2.466 1.00 0.00 H new ATOM 1428 N CYS A 93 -6.471 -23.765 4.743 1.00 0.00 N ATOM 1429 CA CYS A 93 -5.209 -23.670 5.481 1.00 0.00 C ATOM 1430 C CYS A 93 -4.447 -25.016 5.473 1.00 0.00 C ATOM 1431 O CYS A 93 -5.033 -26.102 5.368 1.00 0.00 O ATOM 1432 CB CYS A 93 -5.516 -23.047 6.863 1.00 0.00 C ATOM 1433 SG CYS A 93 -4.237 -23.310 8.139 1.00 0.00 S ATOM 0 H CYS A 93 -7.293 -23.666 5.339 1.00 0.00 H new ATOM 0 HA CYS A 93 -4.496 -23.001 4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.663 -21.975 6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -6.458 -23.457 7.227 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.863 -22.162 8.622 1.00 0.00 H new ATOM 1438 N GLU A 94 -3.113 -24.942 5.500 1.00 0.00 N ATOM 1439 CA GLU A 94 -2.230 -26.110 5.393 1.00 0.00 C ATOM 1440 C GLU A 94 -2.358 -27.040 6.608 1.00 0.00 C ATOM 1441 O GLU A 94 -2.431 -28.264 6.461 1.00 0.00 O ATOM 1442 CB GLU A 94 -0.763 -25.683 5.258 1.00 0.00 C ATOM 1443 CG GLU A 94 -0.436 -25.029 3.912 1.00 0.00 C ATOM 1444 CD GLU A 94 -0.419 -26.054 2.762 1.00 0.00 C ATOM 1445 OE1 GLU A 94 0.623 -26.727 2.559 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -1.440 -26.200 2.048 1.00 0.00 O ATOM 0 H GLU A 94 -2.609 -24.060 5.598 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.543 -26.649 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.521 -24.985 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.125 -26.557 5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.172 -24.255 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.535 -24.537 3.974 1.00 0.00 H new ATOM 1453 N LYS A 95 -2.374 -26.451 7.810 1.00 0.00 N ATOM 1454 CA LYS A 95 -2.566 -27.158 9.086 1.00 0.00 C ATOM 1455 C LYS A 95 -4.019 -27.592 9.293 1.00 0.00 C ATOM 1456 O LYS A 95 -4.278 -28.775 9.529 1.00 0.00 O ATOM 1457 CB LYS A 95 -2.136 -26.280 10.266 1.00 0.00 C ATOM 1458 CG LYS A 95 -0.634 -25.975 10.273 1.00 0.00 C ATOM 1459 CD LYS A 95 -0.231 -25.322 11.600 1.00 0.00 C ATOM 1460 CE LYS A 95 -0.196 -26.357 12.737 1.00 0.00 C ATOM 1461 NZ LYS A 95 0.225 -25.760 14.030 1.00 0.00 N ATOM 0 H LYS A 95 -2.251 -25.445 7.927 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.942 -28.051 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.691 -25.342 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.404 -26.778 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.068 -26.895 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.386 -25.312 9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.749 -24.857 11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.936 -24.529 11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.184 -26.803 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.489 -27.162 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.233 -26.495 14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.179 -25.357 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.442 -25.009 14.299 1.00 0.00 H new ATOM 1475 N CYS A 96 -4.943 -26.630 9.242 1.00 0.00 N ATOM 1476 CA CYS A 96 -6.365 -26.800 9.543 1.00 0.00 C ATOM 1477 C CYS A 96 -7.236 -26.647 8.274 1.00 0.00 C ATOM 1478 O CYS A 96 -7.136 -25.668 7.538 1.00 0.00 O ATOM 1479 CB CYS A 96 -6.739 -25.912 10.752 1.00 0.00 C ATOM 1480 SG CYS A 96 -6.961 -24.159 10.401 1.00 0.00 S ATOM 0 H CYS A 96 -4.711 -25.672 8.979 1.00 0.00 H new ATOM 0 HA CYS A 96 -6.581 -27.821 9.859 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.662 -26.295 11.188 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.961 -26.016 11.509 1.00 0.00 H new ATOM 0 HG CYS A 96 -6.038 -23.761 9.577 1.00 0.00 H new ATOM 1485 N HIS A 97 -8.052 -27.655 7.947 1.00 0.00 N ATOM 1486 CA HIS A 97 -8.743 -27.736 6.649 1.00 0.00 C ATOM 1487 C HIS A 97 -10.006 -26.847 6.563 1.00 0.00 C ATOM 1488 O HIS A 97 -11.119 -27.328 6.329 1.00 0.00 O ATOM 1489 CB HIS A 97 -9.024 -29.201 6.291 1.00 0.00 C ATOM 1490 CG HIS A 97 -7.814 -30.104 6.353 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -7.724 -31.286 7.058 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -6.614 -29.905 5.720 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -6.496 -31.795 6.855 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -5.786 -30.989 6.044 1.00 0.00 N ATOM 0 H HIS A 97 -8.254 -28.437 8.570 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.070 -27.323 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -9.785 -29.588 6.968 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.441 -29.242 5.285 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.355 -29.068 5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.132 -32.718 7.281 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.828 -31.138 5.726 1.00 0.00 H new ATOM 1502 N SER A 98 -9.820 -25.536 6.725 1.00 0.00 N ATOM 1503 CA SER A 98 -10.841 -24.483 6.659 1.00 0.00 C ATOM 1504 C SER A 98 -10.312 -23.258 5.901 1.00 0.00 C ATOM 1505 O SER A 98 -9.102 -23.036 5.817 1.00 0.00 O ATOM 1506 CB SER A 98 -11.265 -24.078 8.079 1.00 0.00 C ATOM 1507 OG SER A 98 -12.004 -25.119 8.702 1.00 0.00 O ATOM 0 H SER A 98 -8.894 -25.155 6.918 1.00 0.00 H new ATOM 0 HA SER A 98 -11.705 -24.873 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.382 -23.846 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.869 -23.172 8.038 1.00 0.00 H new ATOM 0 HG SER A 98 -12.263 -24.841 9.606 1.00 0.00 H new ATOM 1513 N LYS A 99 -11.220 -22.453 5.335 1.00 0.00 N ATOM 1514 CA LYS A 99 -10.930 -21.303 4.446 1.00 0.00 C ATOM 1515 C LYS A 99 -11.006 -19.942 5.166 1.00 0.00 C ATOM 1516 O LYS A 99 -11.111 -18.896 4.530 1.00 0.00 O ATOM 1517 CB LYS A 99 -11.854 -21.364 3.210 1.00 0.00 C ATOM 1518 CG LYS A 99 -11.920 -22.772 2.589 1.00 0.00 C ATOM 1519 CD LYS A 99 -12.585 -22.805 1.210 1.00 0.00 C ATOM 1520 CE LYS A 99 -11.557 -22.474 0.126 1.00 0.00 C ATOM 1521 NZ LYS A 99 -12.182 -22.466 -1.223 1.00 0.00 N ATOM 0 H LYS A 99 -12.220 -22.584 5.485 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.894 -21.386 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.858 -21.049 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.499 -20.657 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.909 -23.170 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.467 -23.431 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.014 -23.790 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.406 -22.089 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.111 -21.500 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.749 -23.206 0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.462 -22.239 -1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.586 -23.403 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.936 -21.751 -1.252 1.00 0.00 H new ATOM 1535 N ASN A 100 -10.977 -19.960 6.500 1.00 0.00 N ATOM 1536 CA ASN A 100 -11.185 -18.833 7.422 1.00 0.00 C ATOM 1537 C ASN A 100 -10.082 -17.748 7.426 1.00 0.00 C ATOM 1538 O ASN A 100 -10.158 -16.811 8.222 1.00 0.00 O ATOM 1539 CB ASN A 100 -11.364 -19.422 8.837 1.00 0.00 C ATOM 1540 CG ASN A 100 -10.117 -20.140 9.337 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -10.036 -21.356 9.309 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -9.107 -19.414 9.759 1.00 0.00 N ATOM 0 H ASN A 100 -10.794 -20.827 7.006 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.068 -18.299 7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -11.619 -18.620 9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.202 -20.119 8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.246 -19.867 10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -9.183 -18.397 9.779 1.00 0.00 H new ATOM 1549 N VAL A 101 -9.021 -17.901 6.631 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.852 -17.007 6.585 1.00 0.00 C ATOM 1551 C VAL A 101 -8.200 -15.539 6.300 1.00 0.00 C ATOM 1552 O VAL A 101 -9.203 -15.228 5.651 1.00 0.00 O ATOM 1553 CB VAL A 101 -6.817 -17.501 5.556 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -6.201 -18.831 5.994 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -7.390 -17.685 4.144 1.00 0.00 C ATOM 0 H VAL A 101 -8.945 -18.679 5.975 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.426 -17.042 7.588 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.062 -16.715 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.474 -19.158 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.704 -18.703 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.986 -19.582 6.088 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.604 -18.034 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.196 -18.419 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.778 -16.733 3.782 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.330 -14.635 6.754 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.428 -13.178 6.592 1.00 0.00 C ATOM 1567 C ILE A 102 -6.152 -12.584 5.977 1.00 0.00 C ATOM 1568 O ILE A 102 -5.059 -13.140 6.104 1.00 0.00 O ATOM 1569 CB ILE A 102 -7.786 -12.472 7.922 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -6.736 -12.626 9.052 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.205 -12.850 8.384 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -6.818 -13.894 9.917 1.00 0.00 C ATOM 0 H ILE A 102 -6.495 -14.910 7.271 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.245 -12.996 5.894 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.769 -11.406 7.696 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.745 -12.589 8.600 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.819 -11.761 9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.431 -12.340 9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.927 -12.550 7.624 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.264 -13.928 8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.027 -13.875 10.667 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.788 -13.934 10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.697 -14.774 9.285 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.287 -11.426 5.325 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.184 -10.715 4.676 1.00 0.00 C ATOM 1586 C ILE A 103 -4.362 -9.994 5.757 1.00 0.00 C ATOM 1587 O ILE A 103 -4.828 -9.015 6.342 1.00 0.00 O ATOM 1588 CB ILE A 103 -5.676 -9.717 3.593 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -7.003 -10.004 2.868 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.530 -9.480 2.597 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -7.023 -11.317 2.110 1.00 0.00 C ATOM 0 H ILE A 103 -7.183 -10.948 5.232 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.562 -11.442 4.155 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.942 -8.821 4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.811 -10.007 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.207 -9.191 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -4.856 -8.781 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.670 -9.065 3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.250 -10.426 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.992 -11.444 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.239 -11.312 1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.852 -12.140 2.804 1.00 0.00 H new ATOM 1603 N THR A 104 -3.154 -10.477 6.060 1.00 0.00 N ATOM 1604 CA THR A 104 -2.276 -9.863 7.083 1.00 0.00 C ATOM 1605 C THR A 104 -1.340 -8.797 6.485 1.00 0.00 C ATOM 1606 O THR A 104 -0.691 -8.032 7.202 1.00 0.00 O ATOM 1607 CB THR A 104 -1.524 -10.954 7.870 1.00 0.00 C ATOM 1608 OG1 THR A 104 -0.860 -10.430 9.001 1.00 0.00 O ATOM 1609 CG2 THR A 104 -0.492 -11.720 7.044 1.00 0.00 C ATOM 0 H THR A 104 -2.751 -11.299 5.611 1.00 0.00 H new ATOM 0 HA THR A 104 -2.905 -9.326 7.793 1.00 0.00 H new ATOM 0 HB THR A 104 -2.311 -11.645 8.170 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.555 -9.519 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.008 -12.469 7.671 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.988 -12.213 6.208 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.257 -11.026 6.663 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.290 -8.719 5.152 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.382 -7.892 4.363 1.00 0.00 C ATOM 1619 C GLN A 105 -0.988 -7.703 2.968 1.00 0.00 C ATOM 1620 O GLN A 105 -1.323 -8.684 2.304 1.00 0.00 O ATOM 1621 CB GLN A 105 0.981 -8.612 4.316 1.00 0.00 C ATOM 1622 CG GLN A 105 1.928 -8.184 3.191 1.00 0.00 C ATOM 1623 CD GLN A 105 2.222 -6.683 3.129 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.419 -6.010 4.133 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.246 -6.107 1.948 1.00 0.00 N ATOM 0 H GLN A 105 -1.920 -9.264 4.564 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.237 -6.903 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.486 -8.454 5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.801 -9.683 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.871 -8.719 3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.500 -8.495 2.238 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.083 -6.661 1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.428 -5.106 1.872 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.136 -6.452 2.526 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.597 -6.115 1.176 1.00 0.00 C ATOM 1636 C GLY A 106 -3.121 -6.151 0.987 1.00 0.00 C ATOM 1637 O GLY A 106 -3.594 -6.300 -0.139 1.00 0.00 O ATOM 0 H GLY A 106 -0.937 -5.634 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.237 -5.118 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.141 -6.807 0.468 1.00 0.00 H new ATOM 1641 N ASN A 107 -3.895 -6.019 2.074 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.365 -5.946 2.042 1.00 0.00 C ATOM 1643 C ASN A 107 -5.873 -4.741 1.222 1.00 0.00 C ATOM 1644 O ASN A 107 -6.928 -4.819 0.591 1.00 0.00 O ATOM 1645 CB ASN A 107 -5.888 -5.884 3.497 1.00 0.00 C ATOM 1646 CG ASN A 107 -7.333 -6.342 3.693 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -7.688 -6.895 4.723 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.224 -6.149 2.746 1.00 0.00 N ATOM 0 H ASN A 107 -3.511 -5.959 3.017 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.748 -6.837 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.242 -6.498 4.124 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.798 -4.858 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.187 -6.459 2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.953 -5.690 1.877 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.138 -3.629 1.244 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.433 -2.390 0.519 1.00 0.00 C ATOM 1657 C GLU A 108 -4.148 -1.634 0.135 1.00 0.00 C ATOM 1658 O GLU A 108 -3.067 -1.908 0.666 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.368 -1.513 1.373 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.755 -1.015 2.693 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.812 -0.283 3.544 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -7.072 0.921 3.303 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -7.392 -0.907 4.465 1.00 0.00 O ATOM 0 H GLU A 108 -4.281 -3.563 1.793 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.934 -2.641 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.674 -0.650 0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.270 -2.081 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.351 -1.858 3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.922 -0.344 2.482 1.00 0.00 H new ATOM 1670 N MET A 109 -4.264 -0.660 -0.773 1.00 0.00 N ATOM 1671 CA MET A 109 -3.166 0.252 -1.118 1.00 0.00 C ATOM 1672 C MET A 109 -2.832 1.226 0.031 1.00 0.00 C ATOM 1673 O MET A 109 -3.728 1.685 0.744 1.00 0.00 O ATOM 1674 CB MET A 109 -3.495 1.017 -2.409 1.00 0.00 C ATOM 1675 CG MET A 109 -4.754 1.889 -2.308 1.00 0.00 C ATOM 1676 SD MET A 109 -5.074 2.955 -3.737 1.00 0.00 S ATOM 1677 CE MET A 109 -3.682 4.103 -3.576 1.00 0.00 C ATOM 0 H MET A 109 -5.124 -0.480 -1.292 1.00 0.00 H new ATOM 0 HA MET A 109 -2.276 -0.355 -1.284 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.647 1.649 -2.672 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.624 0.302 -3.221 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.616 1.238 -2.161 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.672 2.515 -1.420 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.012 5.112 -3.825 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.312 4.084 -2.551 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.884 3.804 -4.256 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.547 1.567 0.192 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.016 2.500 1.213 1.00 0.00 C ATOM 1689 C ARG A 110 0.253 3.205 0.724 1.00 0.00 C ATOM 1690 O ARG A 110 1.082 2.589 0.057 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.676 1.739 2.515 1.00 0.00 C ATOM 1692 CG ARG A 110 -1.893 1.113 3.220 1.00 0.00 C ATOM 1693 CD ARG A 110 -1.546 0.516 4.589 1.00 0.00 C ATOM 1694 NE ARG A 110 -0.654 -0.656 4.478 1.00 0.00 N ATOM 1695 CZ ARG A 110 -0.247 -1.441 5.461 1.00 0.00 C ATOM 1696 NH1 ARG A 110 -0.623 -1.255 6.695 1.00 0.00 N ATOM 1697 NH2 ARG A 110 0.553 -2.440 5.221 1.00 0.00 N ATOM 0 H ARG A 110 -0.813 1.189 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.791 3.243 1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.041 0.951 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.184 2.425 3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.665 1.873 3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.313 0.333 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.067 1.278 5.204 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.464 0.224 5.099 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.316 -0.884 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.250 -0.485 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.290 -1.880 7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.870 -2.622 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.862 -3.041 5.985 1.00 0.00 H new ATOM 1711 N LEU A 111 0.452 4.473 1.093 1.00 0.00 N ATOM 1712 CA LEU A 111 1.745 5.155 0.914 1.00 0.00 C ATOM 1713 C LEU A 111 2.891 4.476 1.696 1.00 0.00 C ATOM 1714 O LEU A 111 2.674 3.918 2.775 1.00 0.00 O ATOM 1715 CB LEU A 111 1.634 6.664 1.222 1.00 0.00 C ATOM 1716 CG LEU A 111 1.637 7.100 2.703 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.655 8.628 2.778 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.416 6.608 3.483 1.00 0.00 C ATOM 0 H LEU A 111 -0.268 5.055 1.521 1.00 0.00 H new ATOM 0 HA LEU A 111 2.010 5.060 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.461 7.169 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.714 7.032 0.767 1.00 0.00 H new ATOM 0 HG LEU A 111 2.524 6.656 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.657 8.941 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.550 9.006 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.771 9.027 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.482 6.950 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.491 7.005 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.386 5.519 3.463 1.00 0.00 H new ATOM 1730 N LEU A 112 4.115 4.570 1.169 1.00 0.00 N ATOM 1731 CA LEU A 112 5.361 4.171 1.835 1.00 0.00 C ATOM 1732 C LEU A 112 6.139 5.412 2.299 1.00 0.00 C ATOM 1733 O LEU A 112 6.424 5.564 3.488 1.00 0.00 O ATOM 1734 CB LEU A 112 6.261 3.318 0.911 1.00 0.00 C ATOM 1735 CG LEU A 112 5.879 1.849 0.646 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.592 1.055 1.920 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.686 1.712 -0.291 1.00 0.00 C ATOM 0 H LEU A 112 4.273 4.940 0.232 1.00 0.00 H new ATOM 0 HA LEU A 112 5.085 3.564 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.315 3.823 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.266 3.326 1.332 1.00 0.00 H new ATOM 0 HG LEU A 112 6.764 1.428 0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.330 0.030 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.478 1.052 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.763 1.516 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.461 0.656 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.820 2.208 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.922 2.174 -1.250 1.00 0.00 H new ATOM 1749 N SER A 113 6.510 6.279 1.352 1.00 0.00 N ATOM 1750 CA SER A 113 7.436 7.405 1.542 1.00 0.00 C ATOM 1751 C SER A 113 7.225 8.527 0.517 1.00 0.00 C ATOM 1752 O SER A 113 6.560 8.339 -0.504 1.00 0.00 O ATOM 1753 CB SER A 113 8.883 6.889 1.461 1.00 0.00 C ATOM 1754 OG SER A 113 9.145 6.209 0.245 1.00 0.00 O ATOM 0 H SER A 113 6.162 6.215 0.395 1.00 0.00 H new ATOM 0 HA SER A 113 7.236 7.833 2.524 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.572 7.728 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.074 6.218 2.298 1.00 0.00 H new ATOM 0 HG SER A 113 10.075 5.901 0.237 1.00 0.00 H new ATOM 1760 N LEU A 114 7.808 9.702 0.780 1.00 0.00 N ATOM 1761 CA LEU A 114 7.795 10.885 -0.091 1.00 0.00 C ATOM 1762 C LEU A 114 9.221 11.454 -0.198 1.00 0.00 C ATOM 1763 O LEU A 114 9.753 12.010 0.766 1.00 0.00 O ATOM 1764 CB LEU A 114 6.823 11.970 0.428 1.00 0.00 C ATOM 1765 CG LEU A 114 5.457 11.528 0.996 1.00 0.00 C ATOM 1766 CD1 LEU A 114 4.791 12.726 1.675 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.499 11.014 -0.075 1.00 0.00 C ATOM 0 H LEU A 114 8.325 9.862 1.644 1.00 0.00 H new ATOM 0 HA LEU A 114 7.443 10.580 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.339 12.532 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.632 12.663 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 114 5.655 10.713 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.825 12.424 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.427 13.086 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.646 13.523 0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.558 10.720 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.313 11.802 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.941 10.153 -0.576 1.00 0.00 H new ATOM 1779 N GLU A 115 9.865 11.300 -1.351 1.00 0.00 N ATOM 1780 CA GLU A 115 11.173 11.912 -1.629 1.00 0.00 C ATOM 1781 C GLU A 115 11.009 13.407 -1.949 1.00 0.00 C ATOM 1782 O GLU A 115 10.052 13.794 -2.626 1.00 0.00 O ATOM 1783 CB GLU A 115 11.859 11.204 -2.810 1.00 0.00 C ATOM 1784 CG GLU A 115 12.122 9.704 -2.590 1.00 0.00 C ATOM 1785 CD GLU A 115 13.124 9.454 -1.444 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.353 9.558 -1.676 1.00 0.00 O ATOM 1787 OE2 GLU A 115 12.696 9.148 -0.305 1.00 0.00 O ATOM 0 H GLU A 115 9.498 10.747 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 115 11.795 11.804 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.240 11.325 -3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.808 11.700 -3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.182 9.200 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.507 9.265 -3.510 1.00 0.00 H new ATOM 1794 N MET A 116 11.957 14.244 -1.510 1.00 0.00 N ATOM 1795 CA MET A 116 12.003 15.695 -1.755 1.00 0.00 C ATOM 1796 C MET A 116 13.380 16.163 -2.246 1.00 0.00 C ATOM 1797 O MET A 116 14.420 15.730 -1.744 1.00 0.00 O ATOM 1798 CB MET A 116 11.635 16.455 -0.471 1.00 0.00 C ATOM 1799 CG MET A 116 10.195 16.188 -0.033 1.00 0.00 C ATOM 1800 SD MET A 116 9.710 17.086 1.459 1.00 0.00 S ATOM 1801 CE MET A 116 7.971 16.607 1.473 1.00 0.00 C ATOM 0 H MET A 116 12.746 13.918 -0.952 1.00 0.00 H new ATOM 0 HA MET A 116 11.280 15.910 -2.542 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.316 16.164 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.771 17.524 -0.632 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.521 16.460 -0.845 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.070 15.119 0.140 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.452 17.145 2.266 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.518 16.852 0.512 1.00 0.00 H new ATOM 0 HE3 MET A 116 7.890 15.534 1.649 1.00 0.00 H new ATOM 1811 N LEU A 117 13.372 17.093 -3.205 1.00 0.00 N ATOM 1812 CA LEU A 117 14.552 17.754 -3.765 1.00 0.00 C ATOM 1813 C LEU A 117 15.218 18.683 -2.732 1.00 0.00 C ATOM 1814 O LEU A 117 14.612 19.665 -2.293 1.00 0.00 O ATOM 1815 CB LEU A 117 14.132 18.526 -5.035 1.00 0.00 C ATOM 1816 CG LEU A 117 14.207 17.702 -6.333 1.00 0.00 C ATOM 1817 CD1 LEU A 117 13.532 18.468 -7.471 1.00 0.00 C ATOM 1818 CD2 LEU A 117 15.648 17.401 -6.754 1.00 0.00 C ATOM 0 H LEU A 117 12.504 17.419 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 117 15.296 17.003 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 117 13.111 18.886 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.769 19.404 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 117 13.700 16.758 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 117 13.587 17.881 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.487 18.649 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.039 19.421 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 117 15.644 16.818 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.182 18.337 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 117 16.146 16.834 -5.968 1.00 0.00 H new