USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 844 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 101 HIS : no HD1:sc= -0.248 X(o=-0.28,f=0.15) USER MOD Set 1.2: A 102 TYR OH : rot 29:sc= -0.0352 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.597 K(o=1.1,f=0.13) USER MOD Set 2.2: A 64 SER OG : rot -129:sc= 0.537 USER MOD Set 3.1: A 37 SER OG : rot 160:sc= 1.05 USER MOD Set 3.2: A 38 LYS NZ :NH3+ 161:sc= 1.26 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.12 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.484 K(o=-0.48,f=-3.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.062) USER MOD Single : A 22 ASN : amide:sc= -0.468 K(o=-0.47,f=-7.3!) USER MOD Single : A 23 TYR OH : rot -69:sc= 0.127 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= 1.04 (180deg=0.792) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.14) USER MOD Single : A 30 SER OG : rot 41:sc= 0.0907 USER MOD Single : A 40 ASN : amide:sc= -0.137 K(o=-0.14,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0.707 (180deg=0.632) USER MOD Single : A 49 SER OG : rot -88:sc= 0.543 USER MOD Single : A 56 SER OG : rot 49:sc= 0.31 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0227 F(o=-1.3,f=-0.023) USER MOD Single : A 77 TYR OH : rot -24:sc= 1.3 USER MOD Single : A 79 SER OG : rot 180:sc= 0.149 USER MOD Single : A 83 ASN : amide:sc= -0.121 K(o=-0.12,f=-4.9!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 119:sc= 2.08 USER MOD Single : A 91 SER OG : rot 24:sc= 1.43 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0607) USER MOD Single : A 98 THR OG1 : rot 101:sc= 0.658 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 30:sc= 0.465 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0117 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.187 -1.595 15.152 1.00 0.00 N ATOM 2 CA ALA A 1 11.675 -2.185 13.927 1.00 0.00 C ATOM 3 C ALA A 1 10.749 -1.184 13.232 1.00 0.00 C ATOM 4 O ALA A 1 10.218 -0.277 13.872 1.00 0.00 O ATOM 5 CB ALA A 1 10.970 -3.504 14.251 1.00 0.00 C ATOM 0 H1 ALA A 1 13.168 -1.284 15.004 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.600 -0.777 15.415 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.159 -2.301 15.915 1.00 0.00 H new ATOM 0 HA ALA A 1 12.490 -2.412 13.240 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.586 -3.947 13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.678 -4.190 14.716 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.143 -3.316 14.936 1.00 0.00 H new ATOM 11 N VAL A 2 10.583 -1.383 11.933 1.00 0.00 N ATOM 12 CA VAL A 2 9.739 -0.503 11.143 1.00 0.00 C ATOM 13 C VAL A 2 8.292 -0.995 11.208 1.00 0.00 C ATOM 14 O VAL A 2 8.042 -2.154 11.535 1.00 0.00 O ATOM 15 CB VAL A 2 10.275 -0.409 9.713 1.00 0.00 C ATOM 16 CG1 VAL A 2 11.767 -0.069 9.708 1.00 0.00 C ATOM 17 CG2 VAL A 2 10.004 -1.701 8.940 1.00 0.00 C ATOM 0 H VAL A 2 11.019 -2.141 11.408 1.00 0.00 H new ATOM 0 HA VAL A 2 9.756 0.508 11.550 1.00 0.00 H new ATOM 0 HB VAL A 2 9.746 0.400 9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.123 -0.008 8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.923 0.889 10.203 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.319 -0.846 10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.395 -1.608 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.494 -2.535 9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.930 -1.882 8.899 1.00 0.00 H new ATOM 27 N ILE A 3 7.378 -0.091 10.892 1.00 0.00 N ATOM 28 CA ILE A 3 5.963 -0.422 10.900 1.00 0.00 C ATOM 29 C ILE A 3 5.556 -0.936 9.517 1.00 0.00 C ATOM 30 O ILE A 3 5.618 -0.199 8.534 1.00 0.00 O ATOM 31 CB ILE A 3 5.136 0.772 11.380 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.669 1.310 12.709 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.651 0.413 11.461 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.677 0.216 13.779 1.00 0.00 C ATOM 0 H ILE A 3 7.589 0.871 10.628 1.00 0.00 H new ATOM 0 HA ILE A 3 5.764 -1.224 11.610 1.00 0.00 H new ATOM 0 HB ILE A 3 5.234 1.572 10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.679 1.696 12.571 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.052 2.145 13.042 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.086 1.279 11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.294 0.115 10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.514 -0.411 12.161 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.060 0.624 14.714 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.662 -0.151 13.932 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.314 -0.606 13.454 1.00 0.00 H new ATOM 46 N ASN A 4 5.150 -2.197 9.486 1.00 0.00 N ATOM 47 CA ASN A 4 4.935 -2.882 8.223 1.00 0.00 C ATOM 48 C ASN A 4 4.008 -4.078 8.448 1.00 0.00 C ATOM 49 O ASN A 4 4.229 -5.153 7.892 1.00 0.00 O ATOM 50 CB ASN A 4 6.253 -3.408 7.650 1.00 0.00 C ATOM 51 CG ASN A 4 6.837 -4.508 8.538 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.734 -4.481 9.754 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.453 -5.476 7.866 1.00 0.00 N ATOM 0 H ASN A 4 4.964 -2.762 10.315 1.00 0.00 H new ATOM 0 HA ASN A 4 4.496 -2.170 7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.087 -3.797 6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.967 -2.590 7.562 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.875 -6.257 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.503 -5.438 6.848 1.00 0.00 H new ATOM 60 N THR A 5 2.989 -3.851 9.264 1.00 0.00 N ATOM 61 CA THR A 5 1.920 -4.823 9.415 1.00 0.00 C ATOM 62 C THR A 5 0.569 -4.184 9.088 1.00 0.00 C ATOM 63 O THR A 5 0.459 -2.961 9.011 1.00 0.00 O ATOM 64 CB THR A 5 1.994 -5.393 10.832 1.00 0.00 C ATOM 65 OG1 THR A 5 1.858 -4.251 11.674 1.00 0.00 O ATOM 66 CG2 THR A 5 3.382 -5.941 11.171 1.00 0.00 C ATOM 0 H THR A 5 2.881 -3.008 9.828 1.00 0.00 H new ATOM 0 HA THR A 5 2.034 -5.648 8.712 1.00 0.00 H new ATOM 0 HB THR A 5 1.253 -6.185 10.943 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.893 -4.531 12.613 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.380 -6.333 12.188 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.638 -6.739 10.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.118 -5.141 11.092 1.00 0.00 H new ATOM 74 N PHE A 6 -0.426 -5.039 8.904 1.00 0.00 N ATOM 75 CA PHE A 6 -1.741 -4.581 8.489 1.00 0.00 C ATOM 76 C PHE A 6 -2.355 -3.653 9.539 1.00 0.00 C ATOM 77 O PHE A 6 -2.846 -2.574 9.209 1.00 0.00 O ATOM 78 CB PHE A 6 -2.623 -5.823 8.345 1.00 0.00 C ATOM 79 CG PHE A 6 -2.242 -6.723 7.168 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.563 -6.354 5.898 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.583 -7.892 7.391 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.210 -7.190 4.806 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.230 -8.727 6.298 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.551 -8.359 5.029 1.00 0.00 C ATOM 0 H PHE A 6 -0.348 -6.048 9.035 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.664 -4.027 7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.568 -6.404 9.266 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.660 -5.508 8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.086 -5.426 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.328 -8.185 8.399 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.465 -6.898 3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.706 -9.655 6.475 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.283 -8.995 4.198 1.00 0.00 H new ATOM 94 N ASP A 7 -2.307 -4.106 10.783 1.00 0.00 N ATOM 95 CA ASP A 7 -2.883 -3.346 11.879 1.00 0.00 C ATOM 96 C ASP A 7 -1.984 -2.147 12.190 1.00 0.00 C ATOM 97 O ASP A 7 -2.473 -1.080 12.558 1.00 0.00 O ATOM 98 CB ASP A 7 -2.988 -4.198 13.146 1.00 0.00 C ATOM 99 CG ASP A 7 -3.829 -5.468 13.002 1.00 0.00 C ATOM 100 OD1 ASP A 7 -5.000 -5.329 12.587 1.00 0.00 O ATOM 101 OD2 ASP A 7 -3.283 -6.549 13.312 1.00 0.00 O ATOM 0 H ASP A 7 -1.878 -4.990 11.056 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.880 -3.023 11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.983 -4.479 13.461 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.413 -3.587 13.943 1.00 0.00 H new ATOM 106 N GLY A 8 -0.687 -2.363 12.030 1.00 0.00 N ATOM 107 CA GLY A 8 0.292 -1.364 12.422 1.00 0.00 C ATOM 108 C GLY A 8 0.196 -0.123 11.531 1.00 0.00 C ATOM 109 O GLY A 8 0.059 0.993 12.028 1.00 0.00 O ATOM 0 H GLY A 8 -0.291 -3.216 11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.133 -1.082 13.463 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.295 -1.787 12.356 1.00 0.00 H new ATOM 113 N VAL A 9 0.271 -0.362 10.230 1.00 0.00 N ATOM 114 CA VAL A 9 0.241 0.726 9.267 1.00 0.00 C ATOM 115 C VAL A 9 -1.126 1.412 9.321 1.00 0.00 C ATOM 116 O VAL A 9 -1.215 2.634 9.223 1.00 0.00 O ATOM 117 CB VAL A 9 0.592 0.201 7.873 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.358 1.274 6.808 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.033 -0.311 7.828 1.00 0.00 C ATOM 0 H VAL A 9 0.352 -1.293 9.820 1.00 0.00 H new ATOM 0 HA VAL A 9 0.991 1.477 9.515 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.069 -0.638 7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.615 0.875 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.691 1.571 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.983 2.141 7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.257 -0.679 6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.716 0.501 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.154 -1.121 8.547 1.00 0.00 H new ATOM 129 N ALA A 10 -2.157 0.594 9.476 1.00 0.00 N ATOM 130 CA ALA A 10 -3.512 1.108 9.574 1.00 0.00 C ATOM 131 C ALA A 10 -3.566 2.188 10.656 1.00 0.00 C ATOM 132 O ALA A 10 -4.154 3.249 10.451 1.00 0.00 O ATOM 133 CB ALA A 10 -4.477 -0.046 9.853 1.00 0.00 C ATOM 0 H ALA A 10 -2.081 -0.421 9.536 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.817 1.568 8.634 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.494 0.340 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.422 -0.771 9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.204 -0.530 10.791 1.00 0.00 H new ATOM 139 N ASP A 11 -2.944 1.881 11.785 1.00 0.00 N ATOM 140 CA ASP A 11 -2.961 2.789 12.920 1.00 0.00 C ATOM 141 C ASP A 11 -2.095 4.010 12.604 1.00 0.00 C ATOM 142 O ASP A 11 -2.449 5.134 12.957 1.00 0.00 O ATOM 143 CB ASP A 11 -2.392 2.117 14.171 1.00 0.00 C ATOM 144 CG ASP A 11 -3.424 1.769 15.245 1.00 0.00 C ATOM 145 OD1 ASP A 11 -4.116 0.745 15.057 1.00 0.00 O ATOM 146 OD2 ASP A 11 -3.499 2.535 16.230 1.00 0.00 O ATOM 0 H ASP A 11 -2.425 1.016 11.938 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.995 3.079 13.105 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.879 1.203 13.872 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.642 2.775 14.609 1.00 0.00 H new ATOM 151 N TYR A 12 -0.978 3.748 11.942 1.00 0.00 N ATOM 152 CA TYR A 12 0.005 4.789 11.692 1.00 0.00 C ATOM 153 C TYR A 12 -0.565 5.872 10.774 1.00 0.00 C ATOM 154 O TYR A 12 -0.210 7.043 10.894 1.00 0.00 O ATOM 155 CB TYR A 12 1.175 4.102 10.985 1.00 0.00 C ATOM 156 CG TYR A 12 2.462 4.930 10.966 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.622 5.937 10.036 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.464 4.669 11.879 1.00 0.00 C ATOM 159 CE1 TYR A 12 3.833 6.715 10.018 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.675 5.447 11.862 1.00 0.00 C ATOM 161 CZ TYR A 12 4.800 6.432 10.932 1.00 0.00 C ATOM 162 OH TYR A 12 5.944 7.167 10.915 1.00 0.00 O ATOM 0 H TYR A 12 -0.732 2.830 11.571 1.00 0.00 H new ATOM 0 HA TYR A 12 0.303 5.268 12.625 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.375 3.150 11.476 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.885 3.877 9.959 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.838 6.141 9.321 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.339 3.881 12.606 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.971 7.506 9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.466 5.253 12.571 1.00 0.00 H new ATOM 0 HH TYR A 12 6.544 6.855 11.624 1.00 0.00 H new ATOM 172 N LEU A 13 -1.440 5.442 9.876 1.00 0.00 N ATOM 173 CA LEU A 13 -2.124 6.371 8.992 1.00 0.00 C ATOM 174 C LEU A 13 -2.864 7.415 9.831 1.00 0.00 C ATOM 175 O LEU A 13 -2.631 8.613 9.683 1.00 0.00 O ATOM 176 CB LEU A 13 -3.026 5.615 8.015 1.00 0.00 C ATOM 177 CG LEU A 13 -2.337 5.034 6.778 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.864 3.632 6.465 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.471 5.978 5.582 1.00 0.00 C ATOM 0 H LEU A 13 -1.691 4.462 9.742 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.405 6.909 8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.509 4.800 8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.815 6.290 7.684 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.273 4.937 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.358 3.242 5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.673 2.974 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.937 3.680 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.973 5.541 4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.526 6.130 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.010 6.936 5.821 1.00 0.00 H new ATOM 191 N ILE A 14 -3.741 6.921 10.693 1.00 0.00 N ATOM 192 CA ILE A 14 -4.574 7.799 11.498 1.00 0.00 C ATOM 193 C ILE A 14 -3.680 8.707 12.345 1.00 0.00 C ATOM 194 O ILE A 14 -3.981 9.886 12.525 1.00 0.00 O ATOM 195 CB ILE A 14 -5.575 6.983 12.318 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.834 6.681 11.503 1.00 0.00 C ATOM 197 CG2 ILE A 14 -5.901 7.682 13.639 1.00 0.00 C ATOM 198 CD1 ILE A 14 -6.515 5.768 10.317 1.00 0.00 C ATOM 0 H ILE A 14 -3.893 5.925 10.852 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.174 8.448 10.859 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.115 6.027 12.565 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.579 6.207 12.141 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.270 7.613 11.142 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.615 7.081 14.202 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.988 7.802 14.222 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.333 8.662 13.435 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.428 5.569 9.755 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.788 6.256 9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.102 4.828 10.682 1.00 0.00 H new ATOM 210 N ARG A 15 -2.600 8.123 12.843 1.00 0.00 N ATOM 211 CA ARG A 15 -1.763 8.804 13.817 1.00 0.00 C ATOM 212 C ARG A 15 -1.036 9.980 13.162 1.00 0.00 C ATOM 213 O ARG A 15 -1.269 11.134 13.517 1.00 0.00 O ATOM 214 CB ARG A 15 -0.733 7.848 14.421 1.00 0.00 C ATOM 215 CG ARG A 15 -0.459 8.192 15.886 1.00 0.00 C ATOM 216 CD ARG A 15 0.575 7.239 16.489 1.00 0.00 C ATOM 217 NE ARG A 15 0.961 7.701 17.841 1.00 0.00 N ATOM 218 CZ ARG A 15 1.904 8.623 18.079 1.00 0.00 C ATOM 219 NH1 ARG A 15 2.463 9.288 17.059 1.00 0.00 N ATOM 220 NH2 ARG A 15 2.288 8.880 19.337 1.00 0.00 N ATOM 0 H ARG A 15 -2.285 7.186 12.591 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.411 9.171 14.613 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.095 6.823 14.346 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.195 7.901 13.852 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.100 9.218 15.961 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.386 8.136 16.456 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.164 6.231 16.544 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.455 7.190 15.847 1.00 0.00 H new ATOM 0 HE ARG A 15 0.479 7.292 18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.171 9.092 16.102 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.181 9.990 17.240 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.863 8.374 20.114 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.006 9.582 19.518 1.00 0.00 H new ATOM 234 N TYR A 16 -0.170 9.646 12.216 1.00 0.00 N ATOM 235 CA TYR A 16 0.734 10.631 11.647 1.00 0.00 C ATOM 236 C TYR A 16 0.113 11.299 10.418 1.00 0.00 C ATOM 237 O TYR A 16 0.666 12.259 9.883 1.00 0.00 O ATOM 238 CB TYR A 16 1.983 9.860 11.218 1.00 0.00 C ATOM 239 CG TYR A 16 2.835 9.356 12.384 1.00 0.00 C ATOM 240 CD1 TYR A 16 3.748 10.199 12.986 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.691 8.060 12.835 1.00 0.00 C ATOM 242 CE1 TYR A 16 4.551 9.725 14.084 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.493 7.586 13.933 1.00 0.00 C ATOM 244 CZ TYR A 16 4.383 8.442 14.503 1.00 0.00 C ATOM 245 OH TYR A 16 5.141 7.995 15.541 1.00 0.00 O ATOM 0 H TYR A 16 -0.075 8.707 11.829 1.00 0.00 H new ATOM 0 HA TYR A 16 0.956 11.413 12.373 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.680 9.009 10.608 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.595 10.503 10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.860 11.214 12.634 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.977 7.401 12.364 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.270 10.373 14.563 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.390 6.574 14.296 1.00 0.00 H new ATOM 0 HH TYR A 16 4.914 7.061 15.733 1.00 0.00 H new ATOM 255 N LYS A 17 -1.027 10.764 10.006 1.00 0.00 N ATOM 256 CA LYS A 17 -1.738 11.307 8.861 1.00 0.00 C ATOM 257 C LYS A 17 -0.918 11.060 7.593 1.00 0.00 C ATOM 258 O LYS A 17 -0.930 11.876 6.673 1.00 0.00 O ATOM 259 CB LYS A 17 -2.081 12.780 9.094 1.00 0.00 C ATOM 260 CG LYS A 17 -3.323 13.186 8.297 1.00 0.00 C ATOM 261 CD LYS A 17 -3.656 14.663 8.516 1.00 0.00 C ATOM 262 CE LYS A 17 -4.806 15.106 7.609 1.00 0.00 C ATOM 263 NZ LYS A 17 -6.068 14.448 8.015 1.00 0.00 N ATOM 0 H LYS A 17 -1.476 9.960 10.445 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.692 10.798 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.253 12.953 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.237 13.404 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.155 13.001 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.170 12.570 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.926 14.828 9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.774 15.272 8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.921 16.189 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.576 14.858 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.856 14.834 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.995 13.424 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.241 14.622 9.026 1.00 0.00 H new ATOM 277 N ARG A 18 -0.227 9.930 7.585 1.00 0.00 N ATOM 278 CA ARG A 18 0.468 9.486 6.388 1.00 0.00 C ATOM 279 C ARG A 18 0.954 8.046 6.560 1.00 0.00 C ATOM 280 O ARG A 18 0.788 7.454 7.625 1.00 0.00 O ATOM 281 CB ARG A 18 1.665 10.388 6.079 1.00 0.00 C ATOM 282 CG ARG A 18 2.530 10.596 7.324 1.00 0.00 C ATOM 283 CD ARG A 18 3.982 10.887 6.939 1.00 0.00 C ATOM 284 NE ARG A 18 4.845 10.831 8.141 1.00 0.00 N ATOM 285 CZ ARG A 18 6.178 10.701 8.103 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.826 10.781 6.933 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.863 10.490 9.235 1.00 0.00 N ATOM 0 H ARG A 18 -0.133 9.308 8.388 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.236 9.539 5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.265 9.943 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.313 11.352 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.133 11.423 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.488 9.707 7.953 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.324 10.161 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.054 11.871 6.475 1.00 0.00 H new ATOM 0 HE ARG A 18 4.397 10.895 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.305 10.941 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.841 10.682 6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.370 10.428 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.878 10.391 9.206 1.00 0.00 H new ATOM 301 N LEU A 19 1.546 7.524 5.496 1.00 0.00 N ATOM 302 CA LEU A 19 2.272 6.268 5.584 1.00 0.00 C ATOM 303 C LEU A 19 3.530 6.469 6.429 1.00 0.00 C ATOM 304 O LEU A 19 3.939 7.601 6.682 1.00 0.00 O ATOM 305 CB LEU A 19 2.552 5.713 4.186 1.00 0.00 C ATOM 306 CG LEU A 19 1.360 5.084 3.462 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.733 4.686 2.033 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.796 3.904 4.256 1.00 0.00 C ATOM 0 H LEU A 19 1.538 7.948 4.568 1.00 0.00 H new ATOM 0 HA LEU A 19 1.668 5.513 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.942 6.521 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.340 4.964 4.265 1.00 0.00 H new ATOM 0 HG LEU A 19 0.571 5.832 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.868 4.242 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.050 5.570 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.548 3.962 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.050 3.475 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.569 3.146 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.467 4.249 5.236 1.00 0.00 H new ATOM 320 N PRO A 20 4.126 5.323 6.856 1.00 0.00 N ATOM 321 CA PRO A 20 5.485 5.331 7.368 1.00 0.00 C ATOM 322 C PRO A 20 6.499 5.476 6.232 1.00 0.00 C ATOM 323 O PRO A 20 6.159 5.291 5.064 1.00 0.00 O ATOM 324 CB PRO A 20 5.627 4.023 8.128 1.00 0.00 C ATOM 325 CG PRO A 20 4.508 3.125 7.625 1.00 0.00 C ATOM 326 CD PRO A 20 3.522 3.993 6.860 1.00 0.00 C ATOM 0 HA PRO A 20 5.682 6.180 8.023 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.602 3.570 7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.545 4.185 9.203 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.907 2.342 6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.012 2.629 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.372 3.623 5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.545 4.003 7.343 1.00 0.00 H new ATOM 334 N ASP A 21 7.724 5.807 6.613 1.00 0.00 N ATOM 335 CA ASP A 21 8.715 6.248 5.646 1.00 0.00 C ATOM 336 C ASP A 21 9.489 5.034 5.126 1.00 0.00 C ATOM 337 O ASP A 21 10.452 5.183 4.376 1.00 0.00 O ATOM 338 CB ASP A 21 9.718 7.209 6.286 1.00 0.00 C ATOM 339 CG ASP A 21 10.605 7.971 5.298 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.032 8.747 4.503 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.835 7.759 5.359 1.00 0.00 O ATOM 0 H ASP A 21 8.053 5.779 7.578 1.00 0.00 H new ATOM 0 HA ASP A 21 8.193 6.758 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.171 7.931 6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.358 6.644 6.964 1.00 0.00 H new ATOM 346 N ASN A 22 9.039 3.861 5.546 1.00 0.00 N ATOM 347 CA ASN A 22 9.621 2.620 5.064 1.00 0.00 C ATOM 348 C ASN A 22 9.023 2.279 3.697 1.00 0.00 C ATOM 349 O ASN A 22 9.440 1.315 3.057 1.00 0.00 O ATOM 350 CB ASN A 22 9.315 1.462 6.016 1.00 0.00 C ATOM 351 CG ASN A 22 7.809 1.207 6.104 1.00 0.00 C ATOM 352 OD1 ASN A 22 6.990 2.051 5.778 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.490 0.000 6.561 1.00 0.00 N ATOM 0 H ASN A 22 8.278 3.744 6.215 1.00 0.00 H new ATOM 0 HA ASN A 22 10.700 2.757 4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.821 0.560 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.708 1.688 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.510 -0.267 6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.225 -0.659 6.816 1.00 0.00 H new ATOM 360 N TYR A 23 8.056 3.089 3.291 1.00 0.00 N ATOM 361 CA TYR A 23 7.518 2.995 1.945 1.00 0.00 C ATOM 362 C TYR A 23 7.890 4.227 1.118 1.00 0.00 C ATOM 363 O TYR A 23 7.588 5.354 1.507 1.00 0.00 O ATOM 364 CB TYR A 23 5.997 2.941 2.102 1.00 0.00 C ATOM 365 CG TYR A 23 5.501 1.781 2.967 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.184 0.582 2.970 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.371 1.933 3.744 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.718 -0.511 3.784 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.904 0.841 4.558 1.00 0.00 C ATOM 370 CZ TYR A 23 4.601 -0.327 4.538 1.00 0.00 C ATOM 371 OH TYR A 23 4.160 -1.359 5.307 1.00 0.00 O ATOM 0 H TYR A 23 7.632 3.813 3.871 1.00 0.00 H new ATOM 0 HA TYR A 23 7.917 2.120 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.654 3.879 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.543 2.864 1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.068 0.463 2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.837 2.871 3.742 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.243 -1.455 3.795 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.021 0.947 5.170 1.00 0.00 H new ATOM 0 HH TYR A 23 3.809 -2.070 4.731 1.00 0.00 H new ATOM 381 N ILE A 24 8.540 3.971 -0.008 1.00 0.00 N ATOM 382 CA ILE A 24 8.673 4.982 -1.042 1.00 0.00 C ATOM 383 C ILE A 24 7.777 4.616 -2.226 1.00 0.00 C ATOM 384 O ILE A 24 7.217 3.522 -2.270 1.00 0.00 O ATOM 385 CB ILE A 24 10.144 5.172 -1.420 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.735 3.881 -1.988 1.00 0.00 C ATOM 387 CG2 ILE A 24 10.952 5.698 -0.231 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.059 4.153 -2.706 1.00 0.00 C ATOM 0 H ILE A 24 8.980 3.077 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 24 8.335 5.950 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 24 10.200 5.925 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.895 3.165 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.027 3.427 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.994 5.824 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.546 6.658 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.892 4.987 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.458 3.218 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.891 4.851 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.772 4.584 -2.003 1.00 0.00 H new ATOM 400 N THR A 25 7.669 5.552 -3.158 1.00 0.00 N ATOM 401 CA THR A 25 6.750 5.396 -4.272 1.00 0.00 C ATOM 402 C THR A 25 7.403 4.584 -5.392 1.00 0.00 C ATOM 403 O THR A 25 8.619 4.401 -5.403 1.00 0.00 O ATOM 404 CB THR A 25 6.302 6.791 -4.714 1.00 0.00 C ATOM 405 OG1 THR A 25 7.438 7.615 -4.468 1.00 0.00 O ATOM 406 CG2 THR A 25 5.216 7.373 -3.807 1.00 0.00 C ATOM 0 H THR A 25 8.203 6.421 -3.164 1.00 0.00 H new ATOM 0 HA THR A 25 5.864 4.832 -3.979 1.00 0.00 H new ATOM 0 HB THR A 25 5.933 6.745 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.235 8.538 -4.728 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.935 8.363 -4.165 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.343 6.721 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.596 7.450 -2.788 1.00 0.00 H new ATOM 414 N LYS A 26 6.566 4.119 -6.308 1.00 0.00 N ATOM 415 CA LYS A 26 7.053 3.384 -7.463 1.00 0.00 C ATOM 416 C LYS A 26 8.051 4.253 -8.231 1.00 0.00 C ATOM 417 O LYS A 26 9.125 3.786 -8.607 1.00 0.00 O ATOM 418 CB LYS A 26 5.883 2.890 -8.316 1.00 0.00 C ATOM 419 CG LYS A 26 5.067 1.834 -7.569 1.00 0.00 C ATOM 420 CD LYS A 26 3.688 1.654 -8.207 1.00 0.00 C ATOM 421 CE LYS A 26 2.795 0.763 -7.340 1.00 0.00 C ATOM 422 NZ LYS A 26 1.393 0.820 -7.812 1.00 0.00 N ATOM 0 H LYS A 26 5.553 4.237 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 26 7.587 2.488 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.241 3.730 -8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.260 2.471 -9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.602 0.884 -7.576 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.953 2.128 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.216 2.627 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.796 1.212 -9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.155 -0.265 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.849 1.086 -6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.759 0.490 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.151 1.800 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.283 0.210 -8.647 1.00 0.00 H new ATOM 436 N SER A 27 7.660 5.502 -8.441 1.00 0.00 N ATOM 437 CA SER A 27 8.448 6.404 -9.263 1.00 0.00 C ATOM 438 C SER A 27 9.863 6.530 -8.694 1.00 0.00 C ATOM 439 O SER A 27 10.819 6.744 -9.438 1.00 0.00 O ATOM 440 CB SER A 27 7.790 7.782 -9.356 1.00 0.00 C ATOM 441 OG SER A 27 6.509 7.720 -9.978 1.00 0.00 O ATOM 0 H SER A 27 6.808 5.910 -8.056 1.00 0.00 H new ATOM 0 HA SER A 27 8.503 5.988 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.688 8.203 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.435 8.455 -9.921 1.00 0.00 H new ATOM 0 HG SER A 27 6.121 8.619 -10.017 1.00 0.00 H new ATOM 447 N GLN A 28 9.952 6.390 -7.379 1.00 0.00 N ATOM 448 CA GLN A 28 11.229 6.514 -6.698 1.00 0.00 C ATOM 449 C GLN A 28 12.109 5.297 -6.995 1.00 0.00 C ATOM 450 O GLN A 28 13.214 5.438 -7.515 1.00 0.00 O ATOM 451 CB GLN A 28 11.033 6.693 -5.192 1.00 0.00 C ATOM 452 CG GLN A 28 11.899 7.836 -4.658 1.00 0.00 C ATOM 453 CD GLN A 28 11.548 8.157 -3.204 1.00 0.00 C ATOM 454 OE1 GLN A 28 10.416 8.460 -2.864 1.00 0.00 O ATOM 455 NE2 GLN A 28 12.579 8.074 -2.367 1.00 0.00 N ATOM 0 H GLN A 28 9.160 6.192 -6.767 1.00 0.00 H new ATOM 0 HA GLN A 28 11.733 7.404 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.984 6.898 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.288 5.767 -4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.952 7.563 -4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.757 8.723 -5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.501 7.815 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.447 8.270 -1.375 1.00 0.00 H new ATOM 464 N ALA A 29 11.584 4.130 -6.652 1.00 0.00 N ATOM 465 CA ALA A 29 12.282 2.886 -6.929 1.00 0.00 C ATOM 466 C ALA A 29 12.738 2.876 -8.389 1.00 0.00 C ATOM 467 O ALA A 29 13.861 2.474 -8.689 1.00 0.00 O ATOM 468 CB ALA A 29 11.370 1.704 -6.595 1.00 0.00 C ATOM 0 H ALA A 29 10.684 4.020 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 29 13.172 2.798 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.893 0.771 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.098 1.741 -5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.468 1.757 -7.204 1.00 0.00 H new ATOM 474 N SER A 30 11.844 3.323 -9.258 1.00 0.00 N ATOM 475 CA SER A 30 12.081 3.233 -10.689 1.00 0.00 C ATOM 476 C SER A 30 13.253 4.135 -11.083 1.00 0.00 C ATOM 477 O SER A 30 14.070 3.764 -11.924 1.00 0.00 O ATOM 478 CB SER A 30 10.829 3.616 -11.480 1.00 0.00 C ATOM 479 OG SER A 30 10.092 2.471 -11.899 1.00 0.00 O ATOM 0 H SER A 30 10.954 3.749 -8.999 1.00 0.00 H new ATOM 0 HA SER A 30 12.328 2.199 -10.930 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.192 4.252 -10.865 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.117 4.202 -12.353 1.00 0.00 H new ATOM 0 HG SER A 30 10.074 1.811 -11.175 1.00 0.00 H new ATOM 485 N ALA A 31 13.298 5.301 -10.455 1.00 0.00 N ATOM 486 CA ALA A 31 14.380 6.240 -10.698 1.00 0.00 C ATOM 487 C ALA A 31 15.711 5.588 -10.317 1.00 0.00 C ATOM 488 O ALA A 31 16.726 5.810 -10.975 1.00 0.00 O ATOM 489 CB ALA A 31 14.120 7.531 -9.920 1.00 0.00 C ATOM 0 H ALA A 31 12.603 5.617 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 31 14.431 6.501 -11.755 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.932 8.235 -10.102 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.178 7.970 -10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.065 7.309 -8.854 1.00 0.00 H new ATOM 495 N LEU A 32 15.663 4.796 -9.255 1.00 0.00 N ATOM 496 CA LEU A 32 16.859 4.140 -8.757 1.00 0.00 C ATOM 497 C LEU A 32 17.223 2.978 -9.684 1.00 0.00 C ATOM 498 O LEU A 32 18.337 2.460 -9.629 1.00 0.00 O ATOM 499 CB LEU A 32 16.674 3.725 -7.296 1.00 0.00 C ATOM 500 CG LEU A 32 16.440 4.863 -6.300 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.973 4.321 -4.948 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.687 5.740 -6.167 1.00 0.00 C ATOM 0 H LEU A 32 14.814 4.594 -8.726 1.00 0.00 H new ATOM 0 HA LEU A 32 17.702 4.831 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.829 3.039 -7.238 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.558 3.170 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 32 15.641 5.496 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.814 5.150 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.040 3.773 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.732 3.652 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.494 6.541 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.522 5.134 -5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.934 6.170 -7.137 1.00 0.00 H new ATOM 514 N GLY A 33 16.261 2.604 -10.515 1.00 0.00 N ATOM 515 CA GLY A 33 16.544 1.730 -11.642 1.00 0.00 C ATOM 516 C GLY A 33 15.827 0.387 -11.488 1.00 0.00 C ATOM 517 O GLY A 33 16.076 -0.544 -12.252 1.00 0.00 O ATOM 0 H GLY A 33 15.285 2.890 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.228 2.211 -12.568 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.619 1.566 -11.719 1.00 0.00 H new ATOM 521 N TRP A 34 14.952 0.330 -10.495 1.00 0.00 N ATOM 522 CA TRP A 34 14.061 -0.808 -10.347 1.00 0.00 C ATOM 523 C TRP A 34 13.207 -0.907 -11.613 1.00 0.00 C ATOM 524 O TRP A 34 12.753 0.106 -12.141 1.00 0.00 O ATOM 525 CB TRP A 34 13.225 -0.688 -9.071 1.00 0.00 C ATOM 526 CG TRP A 34 11.993 -1.595 -9.046 1.00 0.00 C ATOM 527 CD1 TRP A 34 11.955 -2.932 -8.957 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.614 -1.175 -9.115 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.657 -3.402 -8.964 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.816 -2.300 -9.063 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.060 0.113 -9.218 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.418 -2.250 -9.107 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.661 0.145 -9.261 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.843 -0.978 -9.210 1.00 0.00 C ATOM 0 H TRP A 34 14.841 1.054 -9.785 1.00 0.00 H new ATOM 0 HA TRP A 34 14.630 -1.731 -10.237 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.855 -0.924 -8.213 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.904 0.347 -8.956 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.830 -3.562 -8.888 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.368 -4.379 -8.907 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.665 1.006 -9.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.815 -3.145 -9.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.183 1.110 -9.339 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.769 -0.869 -9.250 1.00 0.00 H new ATOM 545 N VAL A 35 13.015 -2.138 -12.064 1.00 0.00 N ATOM 546 CA VAL A 35 12.609 -2.378 -13.438 1.00 0.00 C ATOM 547 C VAL A 35 11.124 -2.742 -13.471 1.00 0.00 C ATOM 548 O VAL A 35 10.422 -2.419 -14.428 1.00 0.00 O ATOM 549 CB VAL A 35 13.501 -3.449 -14.068 1.00 0.00 C ATOM 550 CG1 VAL A 35 13.203 -3.602 -15.561 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.981 -3.138 -13.834 1.00 0.00 C ATOM 0 H VAL A 35 13.133 -2.981 -11.501 1.00 0.00 H new ATOM 0 HA VAL A 35 12.736 -1.476 -14.036 1.00 0.00 H new ATOM 0 HB VAL A 35 13.277 -4.399 -13.582 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.851 -4.370 -15.985 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.161 -3.892 -15.696 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.385 -2.654 -16.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.593 -3.915 -14.292 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.225 -2.174 -14.280 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.181 -3.103 -12.763 1.00 0.00 H new ATOM 561 N ALA A 36 10.687 -3.409 -12.412 1.00 0.00 N ATOM 562 CA ALA A 36 9.282 -3.748 -12.268 1.00 0.00 C ATOM 563 C ALA A 36 8.888 -4.748 -13.358 1.00 0.00 C ATOM 564 O ALA A 36 7.760 -4.727 -13.847 1.00 0.00 O ATOM 565 CB ALA A 36 8.441 -2.471 -12.318 1.00 0.00 C ATOM 0 H ALA A 36 11.282 -3.724 -11.646 1.00 0.00 H new ATOM 0 HA ALA A 36 9.099 -4.222 -11.304 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.387 -2.725 -12.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.739 -1.807 -11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.597 -1.970 -13.273 1.00 0.00 H new ATOM 571 N SER A 37 9.842 -5.599 -13.707 1.00 0.00 N ATOM 572 CA SER A 37 9.590 -6.644 -14.685 1.00 0.00 C ATOM 573 C SER A 37 10.655 -7.737 -14.569 1.00 0.00 C ATOM 574 O SER A 37 10.331 -8.903 -14.350 1.00 0.00 O ATOM 575 CB SER A 37 9.566 -6.075 -16.105 1.00 0.00 C ATOM 576 OG SER A 37 9.228 -7.066 -17.072 1.00 0.00 O ATOM 0 H SER A 37 10.790 -5.586 -13.330 1.00 0.00 H new ATOM 0 HA SER A 37 8.611 -7.076 -14.479 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.846 -5.258 -16.156 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.543 -5.654 -16.343 1.00 0.00 H new ATOM 0 HG SER A 37 8.911 -6.630 -17.890 1.00 0.00 H new ATOM 582 N LYS A 38 11.903 -7.320 -14.722 1.00 0.00 N ATOM 583 CA LYS A 38 13.015 -8.255 -14.676 1.00 0.00 C ATOM 584 C LYS A 38 13.586 -8.293 -13.258 1.00 0.00 C ATOM 585 O LYS A 38 13.388 -9.265 -12.531 1.00 0.00 O ATOM 586 CB LYS A 38 14.051 -7.908 -15.748 1.00 0.00 C ATOM 587 CG LYS A 38 13.804 -8.707 -17.029 1.00 0.00 C ATOM 588 CD LYS A 38 12.603 -8.153 -17.798 1.00 0.00 C ATOM 589 CE LYS A 38 11.571 -9.250 -18.066 1.00 0.00 C ATOM 590 NZ LYS A 38 10.416 -8.703 -18.814 1.00 0.00 N ATOM 0 H LYS A 38 12.169 -6.348 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 38 12.674 -9.264 -14.909 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.009 -6.841 -15.967 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.052 -8.117 -15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.692 -8.672 -17.660 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.630 -9.754 -16.781 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.142 -7.346 -17.228 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.938 -7.725 -18.743 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.030 -10.059 -18.635 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.232 -9.677 -17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.893 -9.482 -19.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.787 -8.196 -18.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.756 -8.047 -19.546 1.00 0.00 H new ATOM 604 N GLY A 39 14.285 -7.224 -12.906 1.00 0.00 N ATOM 605 CA GLY A 39 14.997 -7.177 -11.641 1.00 0.00 C ATOM 606 C GLY A 39 14.022 -7.069 -10.467 1.00 0.00 C ATOM 607 O GLY A 39 12.930 -6.522 -10.611 1.00 0.00 O ATOM 0 H GLY A 39 14.373 -6.383 -13.476 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.608 -8.073 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.677 -6.325 -11.634 1.00 0.00 H new ATOM 611 N ASN A 40 14.452 -7.599 -9.331 1.00 0.00 N ATOM 612 CA ASN A 40 13.660 -7.509 -8.116 1.00 0.00 C ATOM 613 C ASN A 40 14.010 -6.215 -7.379 1.00 0.00 C ATOM 614 O ASN A 40 14.988 -5.550 -7.716 1.00 0.00 O ATOM 615 CB ASN A 40 13.955 -8.682 -7.179 1.00 0.00 C ATOM 616 CG ASN A 40 15.440 -8.731 -6.812 1.00 0.00 C ATOM 617 OD1 ASN A 40 16.298 -9.029 -7.627 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.694 -8.423 -5.543 1.00 0.00 N ATOM 0 H ASN A 40 15.339 -8.092 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 40 12.607 -7.528 -8.397 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.356 -8.588 -6.273 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.664 -9.617 -7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.654 -8.427 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.928 -8.183 -4.913 1.00 0.00 H new ATOM 625 N LEU A 41 13.192 -5.897 -6.387 1.00 0.00 N ATOM 626 CA LEU A 41 13.253 -4.589 -5.756 1.00 0.00 C ATOM 627 C LEU A 41 14.547 -4.478 -4.948 1.00 0.00 C ATOM 628 O LEU A 41 15.350 -3.574 -5.176 1.00 0.00 O ATOM 629 CB LEU A 41 11.989 -4.332 -4.933 1.00 0.00 C ATOM 630 CG LEU A 41 11.704 -2.871 -4.581 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.605 -2.012 -5.843 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.454 -2.751 -3.707 1.00 0.00 C ATOM 0 H LEU A 41 12.483 -6.522 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 41 13.279 -3.802 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.135 -4.726 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.061 -4.901 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 41 12.543 -2.491 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.402 -0.978 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.545 -2.062 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.797 -2.383 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.274 -1.702 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.595 -3.155 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.601 -3.310 -2.783 1.00 0.00 H new ATOM 644 N ALA A 42 14.709 -5.409 -4.019 1.00 0.00 N ATOM 645 CA ALA A 42 15.738 -5.279 -3.001 1.00 0.00 C ATOM 646 C ALA A 42 17.107 -5.174 -3.677 1.00 0.00 C ATOM 647 O ALA A 42 18.044 -4.620 -3.105 1.00 0.00 O ATOM 648 CB ALA A 42 15.654 -6.464 -2.037 1.00 0.00 C ATOM 0 H ALA A 42 14.145 -6.256 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 42 15.588 -4.371 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.426 -6.367 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.673 -6.478 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.804 -7.393 -2.588 1.00 0.00 H new ATOM 654 N GLU A 43 17.178 -5.714 -4.884 1.00 0.00 N ATOM 655 CA GLU A 43 18.418 -5.692 -5.642 1.00 0.00 C ATOM 656 C GLU A 43 18.890 -4.251 -5.846 1.00 0.00 C ATOM 657 O GLU A 43 20.055 -3.935 -5.609 1.00 0.00 O ATOM 658 CB GLU A 43 18.254 -6.410 -6.983 1.00 0.00 C ATOM 659 CG GLU A 43 19.540 -6.329 -7.809 1.00 0.00 C ATOM 660 CD GLU A 43 19.425 -7.164 -9.086 1.00 0.00 C ATOM 661 OE1 GLU A 43 18.963 -6.593 -10.097 1.00 0.00 O ATOM 662 OE2 GLU A 43 19.801 -8.355 -9.021 1.00 0.00 O ATOM 0 H GLU A 43 16.397 -6.170 -5.356 1.00 0.00 H new ATOM 0 HA GLU A 43 19.179 -6.226 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.993 -7.454 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.431 -5.963 -7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.746 -5.290 -8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.382 -6.683 -7.214 1.00 0.00 H new ATOM 669 N VAL A 44 17.960 -3.414 -6.283 1.00 0.00 N ATOM 670 CA VAL A 44 18.310 -2.082 -6.747 1.00 0.00 C ATOM 671 C VAL A 44 18.151 -1.087 -5.596 1.00 0.00 C ATOM 672 O VAL A 44 19.000 -0.219 -5.399 1.00 0.00 O ATOM 673 CB VAL A 44 17.471 -1.718 -7.973 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.802 -0.308 -8.465 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.657 -2.747 -9.091 1.00 0.00 C ATOM 0 H VAL A 44 16.965 -3.633 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 44 19.353 -2.049 -7.062 1.00 0.00 H new ATOM 0 HB VAL A 44 16.422 -1.732 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.192 -0.074 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.594 0.412 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 44 18.857 -0.255 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.049 -2.464 -9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.706 -2.781 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.348 -3.730 -8.736 1.00 0.00 H new ATOM 685 N ALA A 45 17.056 -1.246 -4.867 1.00 0.00 N ATOM 686 CA ALA A 45 16.720 -0.309 -3.808 1.00 0.00 C ATOM 687 C ALA A 45 16.247 -1.085 -2.577 1.00 0.00 C ATOM 688 O ALA A 45 15.049 -1.304 -2.400 1.00 0.00 O ATOM 689 CB ALA A 45 15.668 0.679 -4.315 1.00 0.00 C ATOM 0 H ALA A 45 16.390 -2.009 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 45 17.596 0.270 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.416 1.382 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.065 1.226 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.773 0.135 -4.615 1.00 0.00 H new ATOM 695 N PRO A 46 17.236 -1.490 -1.737 1.00 0.00 N ATOM 696 CA PRO A 46 16.952 -2.364 -0.612 1.00 0.00 C ATOM 697 C PRO A 46 16.260 -1.597 0.517 1.00 0.00 C ATOM 698 O PRO A 46 16.179 -0.370 0.480 1.00 0.00 O ATOM 699 CB PRO A 46 18.301 -2.932 -0.204 1.00 0.00 C ATOM 700 CG PRO A 46 19.344 -2.006 -0.808 1.00 0.00 C ATOM 701 CD PRO A 46 18.647 -1.128 -1.836 1.00 0.00 C ATOM 0 HA PRO A 46 16.258 -3.165 -0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.396 -2.972 0.881 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.423 -3.951 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.806 -1.394 -0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.142 -2.583 -1.276 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.800 -0.070 -1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 46 19.033 -1.310 -2.839 1.00 0.00 H new ATOM 709 N GLY A 47 15.779 -2.351 1.494 1.00 0.00 N ATOM 710 CA GLY A 47 15.640 -1.829 2.843 1.00 0.00 C ATOM 711 C GLY A 47 14.214 -1.334 3.094 1.00 0.00 C ATOM 712 O GLY A 47 13.863 -0.987 4.221 1.00 0.00 O ATOM 0 H GLY A 47 15.481 -3.319 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.892 -2.606 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.345 -1.012 2.995 1.00 0.00 H new ATOM 716 N LYS A 48 13.430 -1.317 2.026 1.00 0.00 N ATOM 717 CA LYS A 48 12.164 -0.605 2.038 1.00 0.00 C ATOM 718 C LYS A 48 11.232 -1.214 0.989 1.00 0.00 C ATOM 719 O LYS A 48 11.676 -1.958 0.116 1.00 0.00 O ATOM 720 CB LYS A 48 12.393 0.897 1.861 1.00 0.00 C ATOM 721 CG LYS A 48 11.906 1.368 0.488 1.00 0.00 C ATOM 722 CD LYS A 48 12.764 0.774 -0.631 1.00 0.00 C ATOM 723 CE LYS A 48 11.909 0.419 -1.848 1.00 0.00 C ATOM 724 NZ LYS A 48 12.755 0.286 -3.055 1.00 0.00 N ATOM 0 H LYS A 48 13.647 -1.785 1.146 1.00 0.00 H new ATOM 0 HA LYS A 48 11.672 -0.717 3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.868 1.443 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.454 1.122 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.865 1.076 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.941 2.456 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.536 1.487 -0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.274 -0.118 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.376 -0.514 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.156 1.190 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.183 -0.086 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.137 1.218 -3.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.540 -0.367 -2.858 1.00 0.00 H new ATOM 738 N SER A 49 9.957 -0.874 1.108 1.00 0.00 N ATOM 739 CA SER A 49 8.949 -1.425 0.218 1.00 0.00 C ATOM 740 C SER A 49 8.290 -0.302 -0.586 1.00 0.00 C ATOM 741 O SER A 49 8.561 0.874 -0.353 1.00 0.00 O ATOM 742 CB SER A 49 7.893 -2.208 1.000 1.00 0.00 C ATOM 743 OG SER A 49 8.448 -3.344 1.657 1.00 0.00 O ATOM 0 H SER A 49 9.599 -0.224 1.807 1.00 0.00 H new ATOM 0 HA SER A 49 9.439 -2.115 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.429 -1.553 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.105 -2.532 0.320 1.00 0.00 H new ATOM 0 HG SER A 49 8.428 -4.114 1.051 1.00 0.00 H new ATOM 749 N ILE A 50 7.436 -0.706 -1.515 1.00 0.00 N ATOM 750 CA ILE A 50 6.599 0.246 -2.227 1.00 0.00 C ATOM 751 C ILE A 50 5.428 0.656 -1.332 1.00 0.00 C ATOM 752 O ILE A 50 4.958 -0.136 -0.517 1.00 0.00 O ATOM 753 CB ILE A 50 6.170 -0.325 -3.579 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.384 -0.770 -4.398 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.297 0.672 -4.344 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.394 0.371 -4.543 1.00 0.00 C ATOM 0 H ILE A 50 7.305 -1.679 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 50 7.160 1.153 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 50 5.562 -1.211 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.860 -1.623 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.060 -1.102 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.006 0.241 -5.302 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.404 0.896 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.858 1.590 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.247 0.029 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.921 1.213 -5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.734 0.684 -3.556 1.00 0.00 H new ATOM 768 N GLY A 51 4.990 1.893 -1.516 1.00 0.00 N ATOM 769 CA GLY A 51 3.701 2.315 -0.995 1.00 0.00 C ATOM 770 C GLY A 51 3.470 3.807 -1.247 1.00 0.00 C ATOM 771 O GLY A 51 4.394 4.527 -1.621 1.00 0.00 O ATOM 0 H GLY A 51 5.505 2.616 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.907 1.736 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.653 2.111 0.075 1.00 0.00 H new ATOM 775 N GLY A 52 2.231 4.225 -1.033 1.00 0.00 N ATOM 776 CA GLY A 52 1.878 5.627 -1.184 1.00 0.00 C ATOM 777 C GLY A 52 1.507 5.945 -2.634 1.00 0.00 C ATOM 778 O GLY A 52 1.392 7.111 -3.007 1.00 0.00 O ATOM 0 H GLY A 52 1.459 3.618 -0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.040 5.868 -0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.715 6.252 -0.873 1.00 0.00 H new ATOM 782 N ASP A 53 1.330 4.887 -3.412 1.00 0.00 N ATOM 783 CA ASP A 53 0.894 5.036 -4.790 1.00 0.00 C ATOM 784 C ASP A 53 -0.620 4.824 -4.867 1.00 0.00 C ATOM 785 O ASP A 53 -1.222 4.284 -3.940 1.00 0.00 O ATOM 786 CB ASP A 53 1.563 4.000 -5.695 1.00 0.00 C ATOM 787 CG ASP A 53 3.091 3.968 -5.621 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.601 3.302 -4.694 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.715 4.610 -6.493 1.00 0.00 O ATOM 0 H ASP A 53 1.481 3.923 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 53 1.168 6.037 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.181 3.013 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.268 4.196 -6.726 1.00 0.00 H new ATOM 794 N VAL A 54 -1.190 5.259 -5.981 1.00 0.00 N ATOM 795 CA VAL A 54 -2.636 5.325 -6.104 1.00 0.00 C ATOM 796 C VAL A 54 -3.181 3.934 -6.432 1.00 0.00 C ATOM 797 O VAL A 54 -2.537 3.163 -7.143 1.00 0.00 O ATOM 798 CB VAL A 54 -3.025 6.379 -7.143 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.538 6.393 -7.370 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.519 7.764 -6.734 1.00 0.00 C ATOM 0 H VAL A 54 -0.677 5.569 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.085 5.635 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.548 6.113 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.787 7.151 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.861 5.415 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.044 6.623 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.809 8.495 -7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.955 8.042 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.433 7.743 -6.647 1.00 0.00 H new ATOM 810 N PHE A 55 -4.361 3.654 -5.899 1.00 0.00 N ATOM 811 CA PHE A 55 -4.972 2.347 -6.077 1.00 0.00 C ATOM 812 C PHE A 55 -5.962 2.359 -7.243 1.00 0.00 C ATOM 813 O PHE A 55 -6.610 3.373 -7.501 1.00 0.00 O ATOM 814 CB PHE A 55 -5.726 2.027 -4.785 1.00 0.00 C ATOM 815 CG PHE A 55 -6.621 0.789 -4.878 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.073 -0.453 -4.802 1.00 0.00 C ATOM 817 CD2 PHE A 55 -7.964 0.932 -5.036 1.00 0.00 C ATOM 818 CE1 PHE A 55 -6.903 -1.602 -4.888 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.795 -0.217 -5.122 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.247 -1.460 -5.046 1.00 0.00 C ATOM 0 H PHE A 55 -4.911 4.310 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.205 1.604 -6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.004 1.881 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.339 2.886 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.006 -0.566 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.399 1.919 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.468 -2.588 -4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.862 -0.104 -5.248 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.879 -2.334 -5.111 1.00 0.00 H new ATOM 830 N SER A 56 -6.049 1.221 -7.915 1.00 0.00 N ATOM 831 CA SER A 56 -6.961 1.083 -9.038 1.00 0.00 C ATOM 832 C SER A 56 -8.397 0.933 -8.531 1.00 0.00 C ATOM 833 O SER A 56 -8.923 -0.177 -8.467 1.00 0.00 O ATOM 834 CB SER A 56 -6.580 -0.112 -9.914 1.00 0.00 C ATOM 835 OG SER A 56 -6.454 -1.312 -9.154 1.00 0.00 O ATOM 0 H SER A 56 -5.503 0.386 -7.704 1.00 0.00 H new ATOM 0 HA SER A 56 -6.890 1.983 -9.648 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.336 -0.250 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.638 0.096 -10.422 1.00 0.00 H new ATOM 0 HG SER A 56 -7.242 -1.421 -8.582 1.00 0.00 H new ATOM 841 N ASN A 57 -8.989 2.066 -8.184 1.00 0.00 N ATOM 842 CA ASN A 57 -10.367 2.079 -7.722 1.00 0.00 C ATOM 843 C ASN A 57 -11.304 1.922 -8.922 1.00 0.00 C ATOM 844 O ASN A 57 -12.341 1.268 -8.823 1.00 0.00 O ATOM 845 CB ASN A 57 -10.703 3.402 -7.030 1.00 0.00 C ATOM 846 CG ASN A 57 -12.128 3.382 -6.474 1.00 0.00 C ATOM 847 OD1 ASN A 57 -13.063 3.889 -7.072 1.00 0.00 O ATOM 848 ND2 ASN A 57 -12.242 2.771 -5.298 1.00 0.00 N ATOM 0 H ASN A 57 -8.540 2.981 -8.213 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.494 1.259 -7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.995 3.584 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.596 4.224 -7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.153 2.706 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.419 2.367 -4.851 1.00 0.00 H new ATOM 855 N ARG A 58 -10.904 2.533 -10.028 1.00 0.00 N ATOM 856 CA ARG A 58 -11.693 2.465 -11.246 1.00 0.00 C ATOM 857 C ARG A 58 -11.818 1.015 -11.717 1.00 0.00 C ATOM 858 O ARG A 58 -10.814 0.348 -11.959 1.00 0.00 O ATOM 859 CB ARG A 58 -11.059 3.302 -12.360 1.00 0.00 C ATOM 860 CG ARG A 58 -11.228 4.798 -12.085 1.00 0.00 C ATOM 861 CD ARG A 58 -10.824 5.628 -13.305 1.00 0.00 C ATOM 862 NE ARG A 58 -11.739 5.348 -14.434 1.00 0.00 N ATOM 863 CZ ARG A 58 -11.374 4.714 -15.557 1.00 0.00 C ATOM 864 NH1 ARG A 58 -10.272 3.951 -15.568 1.00 0.00 N ATOM 865 NH2 ARG A 58 -12.111 4.842 -16.668 1.00 0.00 N ATOM 0 H ARG A 58 -10.045 3.077 -10.106 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.682 2.865 -11.023 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.999 3.061 -12.443 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.519 3.050 -13.316 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.265 5.009 -11.824 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.619 5.085 -11.228 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.852 6.689 -13.058 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.798 5.394 -13.591 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.708 5.657 -14.352 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.711 3.853 -14.722 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.994 3.469 -16.423 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.950 5.422 -16.659 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.833 4.360 -17.523 1.00 0.00 H new ATOM 879 N GLU A 59 -13.061 0.570 -11.833 1.00 0.00 N ATOM 880 CA GLU A 59 -13.330 -0.817 -12.175 1.00 0.00 C ATOM 881 C GLU A 59 -12.547 -1.753 -11.252 1.00 0.00 C ATOM 882 O GLU A 59 -12.070 -2.801 -11.685 1.00 0.00 O ATOM 883 CB GLU A 59 -13.002 -1.093 -13.643 1.00 0.00 C ATOM 884 CG GLU A 59 -13.856 -0.224 -14.569 1.00 0.00 C ATOM 885 CD GLU A 59 -13.278 1.188 -14.683 1.00 0.00 C ATOM 886 OE1 GLU A 59 -12.196 1.310 -15.298 1.00 0.00 O ATOM 887 OE2 GLU A 59 -13.930 2.113 -14.152 1.00 0.00 O ATOM 0 H GLU A 59 -13.892 1.145 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.394 -1.006 -12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.946 -0.897 -13.826 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.174 -2.146 -13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.907 -0.681 -15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.876 -0.174 -14.188 1.00 0.00 H new ATOM 894 N GLY A 60 -12.438 -1.340 -9.998 1.00 0.00 N ATOM 895 CA GLY A 60 -11.609 -2.057 -9.044 1.00 0.00 C ATOM 896 C GLY A 60 -12.442 -3.048 -8.229 1.00 0.00 C ATOM 897 O GLY A 60 -12.623 -4.195 -8.636 1.00 0.00 O ATOM 0 H GLY A 60 -12.910 -0.518 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.818 -2.590 -9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.123 -1.348 -8.374 1.00 0.00 H new ATOM 901 N ARG A 61 -12.928 -2.570 -7.092 1.00 0.00 N ATOM 902 CA ARG A 61 -13.551 -3.448 -6.117 1.00 0.00 C ATOM 903 C ARG A 61 -14.193 -2.627 -4.997 1.00 0.00 C ATOM 904 O ARG A 61 -15.337 -2.873 -4.619 1.00 0.00 O ATOM 905 CB ARG A 61 -12.528 -4.412 -5.511 1.00 0.00 C ATOM 906 CG ARG A 61 -12.862 -5.861 -5.868 1.00 0.00 C ATOM 907 CD ARG A 61 -14.022 -6.383 -5.017 1.00 0.00 C ATOM 908 NE ARG A 61 -14.348 -7.773 -5.403 1.00 0.00 N ATOM 909 CZ ARG A 61 -15.236 -8.101 -6.352 1.00 0.00 C ATOM 910 NH1 ARG A 61 -15.728 -7.156 -7.164 1.00 0.00 N ATOM 911 NH2 ARG A 61 -15.632 -9.374 -6.489 1.00 0.00 N ATOM 0 H ARG A 61 -12.903 -1.586 -6.825 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.317 -4.026 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.530 -4.165 -5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.511 -4.295 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.122 -5.928 -6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.984 -6.488 -5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.755 -6.343 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.896 -5.746 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.867 -8.530 -4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.427 -6.187 -7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.404 -7.405 -7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.258 -10.094 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.308 -9.623 -7.211 1.00 0.00 H new ATOM 925 N LEU A 62 -13.428 -1.666 -4.498 1.00 0.00 N ATOM 926 CA LEU A 62 -13.908 -0.809 -3.427 1.00 0.00 C ATOM 927 C LEU A 62 -14.670 0.374 -4.029 1.00 0.00 C ATOM 928 O LEU A 62 -14.434 0.749 -5.177 1.00 0.00 O ATOM 929 CB LEU A 62 -12.752 -0.395 -2.514 1.00 0.00 C ATOM 930 CG LEU A 62 -11.892 -1.534 -1.963 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.404 -1.188 -2.049 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.314 -1.900 -0.539 1.00 0.00 C ATOM 0 H LEU A 62 -12.480 -1.462 -4.815 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.609 -1.350 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.106 0.288 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.162 0.164 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.054 -2.416 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.815 -2.014 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.130 -1.015 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.206 -0.288 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.687 -2.712 -0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.200 -1.031 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.357 -2.218 -0.539 1.00 0.00 H new ATOM 944 N PRO A 63 -15.591 0.943 -3.207 1.00 0.00 N ATOM 945 CA PRO A 63 -16.444 2.023 -3.672 1.00 0.00 C ATOM 946 C PRO A 63 -15.665 3.336 -3.765 1.00 0.00 C ATOM 947 O PRO A 63 -14.471 3.375 -3.475 1.00 0.00 O ATOM 948 CB PRO A 63 -17.588 2.080 -2.672 1.00 0.00 C ATOM 949 CG PRO A 63 -17.095 1.348 -1.434 1.00 0.00 C ATOM 950 CD PRO A 63 -15.844 0.575 -1.817 1.00 0.00 C ATOM 0 HA PRO A 63 -16.822 1.855 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.851 3.111 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.483 1.607 -3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.877 2.055 -0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.863 0.671 -1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.003 0.842 -1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.995 -0.499 -1.713 1.00 0.00 H new ATOM 958 N SER A 64 -16.373 4.380 -4.172 1.00 0.00 N ATOM 959 CA SER A 64 -15.804 5.716 -4.172 1.00 0.00 C ATOM 960 C SER A 64 -16.921 6.761 -4.209 1.00 0.00 C ATOM 961 O SER A 64 -17.582 6.931 -5.232 1.00 0.00 O ATOM 962 CB SER A 64 -14.855 5.911 -5.356 1.00 0.00 C ATOM 963 OG SER A 64 -15.433 5.470 -6.581 1.00 0.00 O ATOM 0 H SER A 64 -17.336 4.327 -4.504 1.00 0.00 H new ATOM 0 HA SER A 64 -15.228 5.842 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.590 6.965 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.930 5.364 -5.174 1.00 0.00 H new ATOM 0 HG SER A 64 -14.808 4.872 -7.041 1.00 0.00 H new ATOM 969 N ALA A 65 -17.096 7.434 -3.082 1.00 0.00 N ATOM 970 CA ALA A 65 -17.988 8.580 -3.025 1.00 0.00 C ATOM 971 C ALA A 65 -17.296 9.791 -3.653 1.00 0.00 C ATOM 972 O ALA A 65 -16.096 9.756 -3.919 1.00 0.00 O ATOM 973 CB ALA A 65 -18.403 8.833 -1.574 1.00 0.00 C ATOM 0 H ALA A 65 -16.635 7.208 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.897 8.387 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.072 9.693 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.916 7.954 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.517 9.033 -0.972 1.00 0.00 H new ATOM 979 N SER A 66 -18.083 10.834 -3.872 1.00 0.00 N ATOM 980 CA SER A 66 -17.560 12.056 -4.459 1.00 0.00 C ATOM 981 C SER A 66 -16.488 12.657 -3.548 1.00 0.00 C ATOM 982 O SER A 66 -16.789 13.117 -2.448 1.00 0.00 O ATOM 983 CB SER A 66 -18.678 13.072 -4.704 1.00 0.00 C ATOM 984 OG SER A 66 -18.189 14.270 -5.300 1.00 0.00 O ATOM 0 H SER A 66 -19.079 10.858 -3.653 1.00 0.00 H new ATOM 0 HA SER A 66 -17.113 11.809 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 66 -19.436 12.629 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 66 -19.165 13.310 -3.758 1.00 0.00 H new ATOM 0 HG SER A 66 -18.933 14.892 -5.442 1.00 0.00 H new ATOM 990 N GLY A 67 -15.258 12.633 -4.040 1.00 0.00 N ATOM 991 CA GLY A 67 -14.157 13.267 -3.335 1.00 0.00 C ATOM 992 C GLY A 67 -13.268 12.224 -2.654 1.00 0.00 C ATOM 993 O GLY A 67 -12.196 12.552 -2.148 1.00 0.00 O ATOM 0 H GLY A 67 -15.000 12.184 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.563 13.855 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.548 13.959 -2.589 1.00 0.00 H new ATOM 997 N ARG A 68 -13.746 10.988 -2.665 1.00 0.00 N ATOM 998 CA ARG A 68 -12.998 9.891 -2.076 1.00 0.00 C ATOM 999 C ARG A 68 -11.988 9.336 -3.083 1.00 0.00 C ATOM 1000 O ARG A 68 -12.355 8.974 -4.200 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.932 8.765 -1.628 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.161 7.682 -0.871 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.113 6.629 -0.299 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.802 7.167 0.895 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.913 6.635 1.424 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.399 5.482 0.943 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.537 7.255 2.435 1.00 0.00 N ATOM 0 H ARG A 68 -14.642 10.722 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.471 10.279 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.717 9.171 -0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.423 8.327 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.445 7.205 -1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.588 8.136 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.845 6.341 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.557 5.729 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.407 7.994 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.923 5.009 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.244 5.077 1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.167 8.132 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.382 6.850 2.837 1.00 0.00 H new ATOM 1021 N THR A 69 -10.736 9.288 -2.652 1.00 0.00 N ATOM 1022 CA THR A 69 -9.708 8.600 -3.414 1.00 0.00 C ATOM 1023 C THR A 69 -9.036 7.527 -2.556 1.00 0.00 C ATOM 1024 O THR A 69 -9.091 7.584 -1.329 1.00 0.00 O ATOM 1025 CB THR A 69 -8.733 9.651 -3.948 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.576 10.685 -4.448 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.966 9.167 -5.180 1.00 0.00 C ATOM 0 H THR A 69 -10.410 9.715 -1.785 1.00 0.00 H new ATOM 0 HA THR A 69 -10.135 8.069 -4.265 1.00 0.00 H new ATOM 0 HB THR A 69 -8.026 9.921 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.025 11.409 -4.812 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.288 9.951 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.392 8.276 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.671 8.928 -5.977 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.417 6.573 -3.236 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.835 5.427 -2.558 1.00 0.00 C ATOM 1037 C TRP A 70 -6.331 5.423 -2.842 1.00 0.00 C ATOM 1038 O TRP A 70 -5.898 5.837 -3.916 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.527 4.130 -2.980 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.002 4.053 -2.582 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.042 4.685 -3.143 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.563 3.270 -1.507 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.227 4.369 -2.511 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.926 3.481 -1.484 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.938 2.413 -0.584 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.781 2.870 -0.559 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.807 1.810 0.334 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.181 2.012 0.370 1.00 0.00 C ATOM 0 H TRP A 70 -8.306 6.570 -4.250 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.986 5.499 -1.481 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.447 4.023 -4.062 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -7.997 3.287 -2.537 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.963 5.357 -3.984 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.153 4.722 -2.753 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.873 2.234 -0.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.846 3.051 -0.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.379 1.141 1.066 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.784 1.509 1.112 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.577 4.950 -1.861 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.156 4.718 -2.054 1.00 0.00 C ATOM 1061 C ARG A 71 -3.751 3.371 -1.452 1.00 0.00 C ATOM 1062 O ARG A 71 -4.346 2.920 -0.474 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.324 5.828 -1.409 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.475 7.143 -2.176 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.619 8.245 -1.548 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.541 9.407 -2.462 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.701 9.490 -3.502 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -0.906 8.455 -3.805 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -1.654 10.608 -4.238 1.00 0.00 N ATOM 0 H ARG A 71 -5.924 4.721 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.964 4.712 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.638 5.968 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.275 5.534 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.182 6.998 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.521 7.448 -2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.048 8.551 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.618 7.866 -1.341 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.166 10.194 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.941 7.604 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.266 8.518 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.258 11.397 -4.007 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.014 10.671 -5.030 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.742 2.766 -2.061 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.330 1.427 -1.676 1.00 0.00 C ATOM 1085 C GLU A 72 -0.915 1.454 -1.094 1.00 0.00 C ATOM 1086 O GLU A 72 -0.156 2.390 -1.341 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.417 0.464 -2.861 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.637 1.002 -4.063 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.468 -0.077 -5.135 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -2.433 -0.851 -5.318 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -0.379 -0.103 -5.747 1.00 0.00 O ATOM 0 H GLU A 72 -2.198 3.179 -2.818 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.012 1.066 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.021 -0.510 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.461 0.315 -3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.159 1.860 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.658 1.353 -3.738 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.603 0.416 -0.332 1.00 0.00 N ATOM 1099 CA ALA A 73 0.729 0.273 0.229 1.00 0.00 C ATOM 1100 C ALA A 73 1.005 -1.206 0.507 1.00 0.00 C ATOM 1101 O ALA A 73 0.082 -1.974 0.774 1.00 0.00 O ATOM 1102 CB ALA A 73 0.848 1.135 1.488 1.00 0.00 C ATOM 0 H ALA A 73 -1.250 -0.334 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 73 1.482 0.622 -0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.848 1.028 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.672 2.180 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.109 0.812 2.221 1.00 0.00 H new ATOM 1108 N ASP A 74 2.280 -1.561 0.435 1.00 0.00 N ATOM 1109 CA ASP A 74 2.679 -2.951 0.578 1.00 0.00 C ATOM 1110 C ASP A 74 2.676 -3.327 2.061 1.00 0.00 C ATOM 1111 O ASP A 74 3.034 -2.515 2.912 1.00 0.00 O ATOM 1112 CB ASP A 74 4.091 -3.177 0.036 1.00 0.00 C ATOM 1113 CG ASP A 74 4.257 -2.922 -1.463 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.230 -2.603 -2.102 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.406 -3.052 -1.938 1.00 0.00 O ATOM 0 H ASP A 74 3.050 -0.910 0.280 1.00 0.00 H new ATOM 0 HA ASP A 74 1.975 -3.564 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.780 -2.529 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.386 -4.205 0.249 1.00 0.00 H new ATOM 1120 N ILE A 75 2.268 -4.560 2.325 1.00 0.00 N ATOM 1121 CA ILE A 75 2.408 -5.126 3.656 1.00 0.00 C ATOM 1122 C ILE A 75 3.228 -6.415 3.573 1.00 0.00 C ATOM 1123 O ILE A 75 2.940 -7.286 2.754 1.00 0.00 O ATOM 1124 CB ILE A 75 1.036 -5.310 4.308 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.239 -4.004 4.285 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.172 -5.874 5.723 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.787 -3.010 5.311 1.00 0.00 C ATOM 0 H ILE A 75 1.840 -5.183 1.640 1.00 0.00 H new ATOM 0 HA ILE A 75 2.954 -4.442 4.306 1.00 0.00 H new ATOM 0 HB ILE A 75 0.475 -6.040 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.282 -3.565 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.810 -4.210 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.182 -5.995 6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.672 -6.842 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.759 -5.188 6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.203 -2.090 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.720 -3.443 6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.829 -2.788 5.082 1.00 0.00 H new ATOM 1139 N ASN A 76 4.232 -6.497 4.434 1.00 0.00 N ATOM 1140 CA ASN A 76 5.039 -7.701 4.530 1.00 0.00 C ATOM 1141 C ASN A 76 5.543 -8.085 3.137 1.00 0.00 C ATOM 1142 O ASN A 76 4.976 -8.962 2.488 1.00 0.00 O ATOM 1143 CB ASN A 76 4.219 -8.872 5.075 1.00 0.00 C ATOM 1144 CG ASN A 76 4.209 -8.869 6.605 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.723 -7.753 7.141 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 4.616 -9.817 7.257 1.00 0.00 N flip ATOM 0 H ASN A 76 4.505 -5.749 5.071 1.00 0.00 H new ATOM 0 HA ASN A 76 5.870 -7.497 5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.197 -8.810 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.635 -9.812 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.977 -10.645 6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.595 -9.782 8.276 1.00 0.00 H new ATOM 1153 N TYR A 77 6.602 -7.408 2.719 1.00 0.00 N ATOM 1154 CA TYR A 77 7.111 -7.575 1.368 1.00 0.00 C ATOM 1155 C TYR A 77 8.590 -7.189 1.288 1.00 0.00 C ATOM 1156 O TYR A 77 8.921 -6.051 0.960 1.00 0.00 O ATOM 1157 CB TYR A 77 6.299 -6.620 0.491 1.00 0.00 C ATOM 1158 CG TYR A 77 6.795 -6.528 -0.954 1.00 0.00 C ATOM 1159 CD1 TYR A 77 6.798 -7.651 -1.755 1.00 0.00 C ATOM 1160 CD2 TYR A 77 7.240 -5.321 -1.455 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.265 -7.564 -3.115 1.00 0.00 C ATOM 1162 CE2 TYR A 77 7.708 -5.235 -2.814 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.697 -6.360 -3.577 1.00 0.00 C ATOM 1164 OH TYR A 77 8.138 -6.279 -4.861 1.00 0.00 O ATOM 0 H TYR A 77 7.122 -6.743 3.292 1.00 0.00 H new ATOM 0 HA TYR A 77 7.022 -8.614 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 77 5.258 -6.943 0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.322 -5.625 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.450 -8.595 -1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.237 -4.442 -0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.272 -8.435 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.060 -4.297 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 77 8.442 -7.162 -5.159 1.00 0.00 H new ATOM 1174 N VAL A 78 9.439 -8.159 1.593 1.00 0.00 N ATOM 1175 CA VAL A 78 10.873 -7.926 1.594 1.00 0.00 C ATOM 1176 C VAL A 78 11.500 -8.627 0.388 1.00 0.00 C ATOM 1177 O VAL A 78 12.351 -8.056 -0.293 1.00 0.00 O ATOM 1178 CB VAL A 78 11.475 -8.376 2.927 1.00 0.00 C ATOM 1179 CG1 VAL A 78 12.985 -8.131 2.957 1.00 0.00 C ATOM 1180 CG2 VAL A 78 10.784 -7.683 4.103 1.00 0.00 C ATOM 0 H VAL A 78 9.161 -9.109 1.841 1.00 0.00 H new ATOM 0 HA VAL A 78 11.087 -6.862 1.499 1.00 0.00 H new ATOM 0 HB VAL A 78 11.307 -9.449 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.388 -8.459 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.461 -8.691 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 78 13.184 -7.067 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.231 -8.021 5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.906 -6.604 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.722 -7.930 4.098 1.00 0.00 H new ATOM 1190 N SER A 79 11.056 -9.854 0.159 1.00 0.00 N ATOM 1191 CA SER A 79 11.588 -10.651 -0.933 1.00 0.00 C ATOM 1192 C SER A 79 11.203 -10.025 -2.274 1.00 0.00 C ATOM 1193 O SER A 79 10.528 -8.997 -2.312 1.00 0.00 O ATOM 1194 CB SER A 79 11.086 -12.094 -0.857 1.00 0.00 C ATOM 1195 OG SER A 79 11.701 -12.926 -1.836 1.00 0.00 O ATOM 0 H SER A 79 10.333 -10.316 0.711 1.00 0.00 H new ATOM 0 HA SER A 79 12.674 -10.668 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.286 -12.495 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.005 -12.109 -0.996 1.00 0.00 H new ATOM 0 HG SER A 79 11.355 -13.839 -1.753 1.00 0.00 H new ATOM 1201 N GLY A 80 11.648 -10.670 -3.342 1.00 0.00 N ATOM 1202 CA GLY A 80 11.499 -10.107 -4.673 1.00 0.00 C ATOM 1203 C GLY A 80 10.070 -10.289 -5.189 1.00 0.00 C ATOM 1204 O GLY A 80 9.109 -10.075 -4.453 1.00 0.00 O ATOM 0 H GLY A 80 12.112 -11.578 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.750 -9.046 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.200 -10.588 -5.356 1.00 0.00 H new ATOM 1208 N PHE A 81 9.977 -10.682 -6.451 1.00 0.00 N ATOM 1209 CA PHE A 81 8.704 -10.651 -7.152 1.00 0.00 C ATOM 1210 C PHE A 81 8.008 -9.301 -6.966 1.00 0.00 C ATOM 1211 O PHE A 81 8.561 -8.394 -6.346 1.00 0.00 O ATOM 1212 CB PHE A 81 7.831 -11.750 -6.542 1.00 0.00 C ATOM 1213 CG PHE A 81 8.353 -13.167 -6.787 1.00 0.00 C ATOM 1214 CD1 PHE A 81 8.078 -13.799 -7.960 1.00 0.00 C ATOM 1215 CD2 PHE A 81 9.090 -13.795 -5.833 1.00 0.00 C ATOM 1216 CE1 PHE A 81 8.562 -15.115 -8.188 1.00 0.00 C ATOM 1217 CE2 PHE A 81 9.574 -15.110 -6.060 1.00 0.00 C ATOM 1218 CZ PHE A 81 9.300 -15.742 -7.233 1.00 0.00 C ATOM 0 H PHE A 81 10.762 -11.023 -7.006 1.00 0.00 H new ATOM 0 HA PHE A 81 8.863 -10.803 -8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.753 -11.583 -5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.824 -11.669 -6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.492 -13.300 -8.718 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.307 -13.293 -4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.344 -15.617 -9.119 1.00 0.00 H new ATOM 0 HE2 PHE A 81 10.160 -15.609 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.669 -16.742 -7.406 1.00 0.00 H new ATOM 1228 N ARG A 82 6.806 -9.211 -7.514 1.00 0.00 N ATOM 1229 CA ARG A 82 5.975 -8.037 -7.307 1.00 0.00 C ATOM 1230 C ARG A 82 5.110 -8.212 -6.058 1.00 0.00 C ATOM 1231 O ARG A 82 4.720 -9.329 -5.720 1.00 0.00 O ATOM 1232 CB ARG A 82 5.070 -7.783 -8.514 1.00 0.00 C ATOM 1233 CG ARG A 82 5.897 -7.534 -9.777 1.00 0.00 C ATOM 1234 CD ARG A 82 6.625 -6.191 -9.700 1.00 0.00 C ATOM 1235 NE ARG A 82 8.028 -6.398 -9.275 1.00 0.00 N ATOM 1236 CZ ARG A 82 8.987 -6.895 -10.067 1.00 0.00 C ATOM 1237 NH1 ARG A 82 8.696 -7.262 -11.323 1.00 0.00 N ATOM 1238 NH2 ARG A 82 10.238 -7.024 -9.605 1.00 0.00 N ATOM 0 H ARG A 82 6.387 -9.932 -8.101 1.00 0.00 H new ATOM 0 HA ARG A 82 6.637 -7.181 -7.177 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.414 -8.640 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.430 -6.923 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.622 -8.338 -9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.246 -7.549 -10.651 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.600 -5.698 -10.672 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.117 -5.532 -8.996 1.00 0.00 H new ATOM 0 HE ARG A 82 8.280 -6.146 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.744 -7.163 -11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.426 -7.640 -11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.460 -6.744 -8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.968 -7.403 -10.208 1.00 0.00 H new ATOM 1252 N ASN A 83 4.835 -7.092 -5.405 1.00 0.00 N ATOM 1253 CA ASN A 83 4.020 -7.107 -4.202 1.00 0.00 C ATOM 1254 C ASN A 83 2.599 -7.547 -4.560 1.00 0.00 C ATOM 1255 O ASN A 83 2.111 -7.258 -5.651 1.00 0.00 O ATOM 1256 CB ASN A 83 3.940 -5.715 -3.574 1.00 0.00 C ATOM 1257 CG ASN A 83 3.499 -4.673 -4.604 1.00 0.00 C ATOM 1258 OD1 ASN A 83 2.335 -4.562 -4.953 1.00 0.00 O ATOM 1259 ND2 ASN A 83 4.490 -3.918 -5.068 1.00 0.00 N ATOM 0 H ASN A 83 5.162 -6.168 -5.687 1.00 0.00 H new ATOM 0 HA ASN A 83 4.478 -7.797 -3.493 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.237 -5.728 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.913 -5.440 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.298 -3.193 -5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.442 -4.064 -4.733 1.00 0.00 H new ATOM 1266 N ALA A 84 1.974 -8.240 -3.619 1.00 0.00 N ATOM 1267 CA ALA A 84 0.606 -8.691 -3.805 1.00 0.00 C ATOM 1268 C ALA A 84 -0.200 -8.398 -2.539 1.00 0.00 C ATOM 1269 O ALA A 84 -1.264 -7.784 -2.604 1.00 0.00 O ATOM 1270 CB ALA A 84 0.602 -10.178 -4.168 1.00 0.00 C ATOM 0 H ALA A 84 2.391 -8.500 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 84 0.134 -8.154 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.425 -10.516 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.162 -10.329 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.066 -10.750 -3.364 1.00 0.00 H new ATOM 1276 N ASP A 85 0.337 -8.851 -1.415 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.254 -8.541 -0.125 1.00 0.00 C ATOM 1278 C ASP A 85 -0.135 -7.039 0.138 1.00 0.00 C ATOM 1279 O ASP A 85 0.969 -6.514 0.274 1.00 0.00 O ATOM 1280 CB ASP A 85 0.471 -9.277 1.004 1.00 0.00 C ATOM 1281 CG ASP A 85 0.359 -10.802 0.958 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.495 -11.348 -0.158 1.00 0.00 O ATOM 1283 OD2 ASP A 85 0.139 -11.388 2.041 1.00 0.00 O ATOM 0 H ASP A 85 1.175 -9.430 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.298 -8.854 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.526 -9.004 0.977 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.076 -8.927 1.958 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.288 -6.389 0.201 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.326 -4.939 0.294 1.00 0.00 C ATOM 1290 C ARG A 86 -2.433 -4.497 1.253 1.00 0.00 C ATOM 1291 O ARG A 86 -3.384 -5.239 1.494 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.567 -4.306 -1.078 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.347 -4.481 -1.985 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.155 -3.261 -2.888 1.00 0.00 C ATOM 1295 NE ARG A 86 -1.270 -3.170 -3.858 1.00 0.00 N ATOM 1296 CZ ARG A 86 -1.294 -3.807 -5.037 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -0.378 -4.745 -5.310 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -2.235 -3.505 -5.942 1.00 0.00 N ATOM 0 H ARG A 86 -2.203 -6.840 0.189 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.359 -4.605 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.440 -4.762 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.787 -3.245 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.545 -4.631 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.469 -5.375 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.112 -2.354 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.794 -3.336 -3.418 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.070 -2.586 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.338 -4.975 -4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.396 -5.230 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.933 -2.791 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.254 -3.989 -6.839 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.272 -3.290 1.776 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.351 -2.637 2.497 1.00 0.00 C ATOM 1314 C LEU A 87 -3.735 -1.345 1.772 1.00 0.00 C ATOM 1315 O LEU A 87 -2.866 -0.576 1.365 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.967 -2.428 3.963 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.927 -1.574 4.793 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.161 -2.195 6.172 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.431 -0.130 4.891 1.00 0.00 C ATOM 0 H LEU A 87 -1.410 -2.747 1.715 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.237 -3.271 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.879 -3.405 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.980 -1.967 3.997 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.890 -1.550 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.847 -1.568 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.591 -3.190 6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.212 -2.270 6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.132 0.456 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.450 -0.114 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.358 0.298 3.891 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.037 -1.148 1.632 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.545 -0.031 0.853 1.00 0.00 C ATOM 1333 C VAL A 88 -6.486 0.806 1.722 1.00 0.00 C ATOM 1334 O VAL A 88 -7.389 0.268 2.362 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.211 -0.545 -0.425 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.458 0.598 -1.412 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.379 -1.655 -1.069 1.00 0.00 C ATOM 0 H VAL A 88 -5.756 -1.743 2.044 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.728 0.619 0.540 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.178 -0.967 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.932 0.206 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.110 1.341 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.508 1.063 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.875 -2.002 -1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.391 -1.270 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.277 -2.485 -0.370 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.242 2.108 1.718 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.995 3.013 2.570 1.00 0.00 C ATOM 1349 C TYR A 89 -7.528 4.203 1.770 1.00 0.00 C ATOM 1350 O TYR A 89 -6.890 4.654 0.821 1.00 0.00 O ATOM 1351 CB TYR A 89 -6.006 3.522 3.621 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.777 4.218 3.034 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.658 3.481 2.703 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.787 5.584 2.834 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.502 4.136 2.150 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.630 6.239 2.282 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.545 5.483 1.966 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.452 6.102 1.444 1.00 0.00 O ATOM 0 H TYR A 89 -5.534 2.558 1.138 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.850 2.502 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.522 4.216 4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.677 2.682 4.233 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.650 2.412 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.663 6.161 3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.620 3.571 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.624 7.307 2.122 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.626 7.063 1.368 1.00 0.00 H new ATOM 1368 N SER A 90 -8.694 4.678 2.184 1.00 0.00 N ATOM 1369 CA SER A 90 -9.364 5.747 1.463 1.00 0.00 C ATOM 1370 C SER A 90 -8.921 7.106 2.010 1.00 0.00 C ATOM 1371 O SER A 90 -8.211 7.173 3.013 1.00 0.00 O ATOM 1372 CB SER A 90 -10.885 5.607 1.559 1.00 0.00 C ATOM 1373 OG SER A 90 -11.367 5.909 2.866 1.00 0.00 O ATOM 0 H SER A 90 -9.191 4.342 3.009 1.00 0.00 H new ATOM 0 HA SER A 90 -9.085 5.677 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.357 6.272 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.173 4.590 1.292 1.00 0.00 H new ATOM 0 HG SER A 90 -11.978 6.674 2.821 1.00 0.00 H new ATOM 1379 N SER A 91 -9.358 8.154 1.328 1.00 0.00 N ATOM 1380 CA SER A 91 -9.046 9.507 1.754 1.00 0.00 C ATOM 1381 C SER A 91 -9.534 9.730 3.187 1.00 0.00 C ATOM 1382 O SER A 91 -8.809 10.278 4.015 1.00 0.00 O ATOM 1383 CB SER A 91 -9.672 10.539 0.813 1.00 0.00 C ATOM 1384 OG SER A 91 -9.369 10.269 -0.553 1.00 0.00 O ATOM 0 H SER A 91 -9.926 8.093 0.483 1.00 0.00 H new ATOM 0 HA SER A 91 -7.964 9.635 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.753 10.546 0.950 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.311 11.534 1.075 1.00 0.00 H new ATOM 0 HG SER A 91 -9.157 9.318 -0.659 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.761 9.295 3.434 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.389 9.522 4.725 1.00 0.00 C ATOM 1392 C ASP A 92 -11.180 8.293 5.612 1.00 0.00 C ATOM 1393 O ASP A 92 -11.914 8.088 6.577 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.895 9.745 4.573 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.655 8.595 3.910 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.143 8.091 2.887 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.732 8.246 4.441 1.00 0.00 O ATOM 0 H ASP A 92 -11.337 8.787 2.763 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.936 10.408 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.322 9.922 5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.056 10.651 3.989 1.00 0.00 H new ATOM 1402 N TRP A 93 -10.176 7.507 5.252 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.602 6.552 6.185 1.00 0.00 C ATOM 1404 C TRP A 93 -10.636 5.453 6.433 1.00 0.00 C ATOM 1405 O TRP A 93 -10.994 5.178 7.577 1.00 0.00 O ATOM 1406 CB TRP A 93 -9.149 7.247 7.471 1.00 0.00 C ATOM 1407 CG TRP A 93 -8.440 8.583 7.240 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.813 9.799 7.665 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -7.214 8.791 6.507 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.920 10.771 7.261 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.917 10.139 6.535 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.384 7.872 5.843 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.788 10.688 5.916 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -5.259 8.436 5.230 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.946 9.790 5.249 1.00 0.00 C ATOM 0 H TRP A 93 -9.745 7.512 4.327 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.704 6.097 5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -10.018 7.414 8.107 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.479 6.581 8.015 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.700 9.993 8.250 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.984 11.770 7.459 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.597 6.814 5.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.578 11.747 5.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.587 7.773 4.706 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -4.057 10.148 4.751 1.00 0.00 H new ATOM 1426 N LEU A 94 -11.087 4.852 5.341 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.731 3.552 5.414 1.00 0.00 C ATOM 1428 C LEU A 94 -10.758 2.478 4.924 1.00 0.00 C ATOM 1429 O LEU A 94 -10.273 2.542 3.796 1.00 0.00 O ATOM 1430 CB LEU A 94 -13.060 3.569 4.656 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.229 4.256 5.366 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.173 4.912 4.358 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.962 3.278 6.286 1.00 0.00 C ATOM 0 H LEU A 94 -11.019 5.242 4.401 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.982 3.309 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.902 4.063 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.346 2.539 4.441 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.828 5.051 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.995 5.393 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.627 5.659 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.571 4.153 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.788 3.791 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.350 2.447 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.271 2.898 7.038 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.501 1.515 5.798 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.309 0.694 5.678 1.00 0.00 C ATOM 1447 C ILE A 95 -9.713 -0.734 5.306 1.00 0.00 C ATOM 1448 O ILE A 95 -10.621 -1.303 5.910 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.466 0.783 6.952 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.317 2.235 7.410 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -7.111 0.099 6.762 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.517 2.320 8.711 1.00 0.00 C ATOM 0 H ILE A 95 -11.099 1.286 6.592 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.671 1.064 4.875 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.988 0.247 7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.818 2.816 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.303 2.677 7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.532 0.177 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.265 -0.952 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.569 0.584 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.426 3.363 9.015 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.031 1.759 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.524 1.899 8.555 1.00 0.00 H new ATOM 1464 N TYR A 96 -9.018 -1.272 4.314 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.207 -2.663 3.937 1.00 0.00 C ATOM 1466 C TYR A 96 -7.869 -3.326 3.603 1.00 0.00 C ATOM 1467 O TYR A 96 -6.925 -2.654 3.191 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.082 -2.645 2.682 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.540 -2.266 2.946 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.908 -0.937 3.009 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.489 -3.253 3.120 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.281 -0.581 3.257 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.862 -2.897 3.368 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.190 -1.578 3.424 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.487 -1.241 3.659 1.00 0.00 O ATOM 0 H TYR A 96 -8.324 -0.770 3.760 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.661 -3.224 4.754 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.658 -1.941 1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.052 -3.630 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.166 -0.164 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.202 -4.293 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.582 0.455 3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.614 -3.660 3.506 1.00 0.00 H new ATOM 0 HH TYR A 96 -16.024 -2.055 3.757 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.832 -4.637 3.792 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.636 -5.403 3.486 1.00 0.00 C ATOM 1487 C LYS A 97 -6.951 -6.415 2.383 1.00 0.00 C ATOM 1488 O LYS A 97 -8.111 -6.762 2.166 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.066 -6.037 4.757 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.061 -7.026 5.370 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.392 -7.880 6.448 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.384 -8.874 7.054 1.00 0.00 C ATOM 1493 NZ LYS A 97 -8.363 -8.171 7.913 1.00 0.00 N ATOM 0 H LYS A 97 -8.611 -5.188 4.153 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.852 -4.748 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.133 -6.551 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.829 -5.258 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.901 -6.482 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.466 -7.671 4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.548 -8.419 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.993 -7.236 7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.906 -9.407 6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.848 -9.621 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.931 -8.869 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.858 -7.561 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.989 -7.588 7.321 1.00 0.00 H new ATOM 1507 N THR A 98 -5.897 -6.860 1.713 1.00 0.00 N ATOM 1508 CA THR A 98 -6.017 -7.966 0.779 1.00 0.00 C ATOM 1509 C THR A 98 -4.704 -8.748 0.706 1.00 0.00 C ATOM 1510 O THR A 98 -3.625 -8.165 0.796 1.00 0.00 O ATOM 1511 CB THR A 98 -6.461 -7.398 -0.571 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.409 -8.516 -1.452 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.445 -6.415 -1.156 1.00 0.00 C ATOM 0 H THR A 98 -4.957 -6.474 1.799 1.00 0.00 H new ATOM 0 HA THR A 98 -6.768 -8.683 1.110 1.00 0.00 H new ATOM 0 HB THR A 98 -7.423 -6.899 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.313 -8.868 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.809 -6.042 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.310 -5.580 -0.469 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.491 -6.922 -1.303 1.00 0.00 H new ATOM 1521 N THR A 99 -4.840 -10.056 0.545 1.00 0.00 N ATOM 1522 CA THR A 99 -3.698 -10.891 0.215 1.00 0.00 C ATOM 1523 C THR A 99 -3.989 -11.722 -1.036 1.00 0.00 C ATOM 1524 O THR A 99 -3.220 -12.616 -1.385 1.00 0.00 O ATOM 1525 CB THR A 99 -3.362 -11.740 1.443 1.00 0.00 C ATOM 1526 OG1 THR A 99 -4.573 -12.435 1.726 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.119 -10.891 2.693 1.00 0.00 C ATOM 0 H THR A 99 -5.723 -10.558 0.637 1.00 0.00 H new ATOM 0 HA THR A 99 -2.824 -10.287 -0.030 1.00 0.00 H new ATOM 0 HB THR A 99 -2.478 -12.343 1.236 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.444 -13.011 2.508 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.885 -11.542 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.284 -10.213 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.015 -10.313 2.920 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.102 -11.397 -1.678 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.615 -12.227 -2.754 1.00 0.00 C ATOM 1537 C ASP A 100 -5.575 -11.438 -4.064 1.00 0.00 C ATOM 1538 O ASP A 100 -6.404 -11.652 -4.947 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.066 -12.635 -2.492 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.980 -11.502 -2.021 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.958 -10.442 -2.682 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.681 -11.722 -1.009 1.00 0.00 O ATOM 0 H ASP A 100 -5.663 -10.570 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.995 -13.121 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.480 -13.059 -3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.076 -13.426 -1.742 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.602 -10.542 -4.149 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.367 -9.807 -5.380 1.00 0.00 C ATOM 1549 C HIS A 101 -5.536 -8.855 -5.641 1.00 0.00 C ATOM 1550 O HIS A 101 -6.107 -8.851 -6.730 1.00 0.00 O ATOM 1551 CB HIS A 101 -4.112 -10.766 -6.545 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.383 -10.138 -7.709 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.937 -10.033 -8.973 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -2.139 -9.583 -7.787 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -3.058 -9.441 -9.767 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -1.944 -9.163 -9.031 1.00 0.00 N ATOM 0 H HIS A 101 -3.968 -10.309 -3.385 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.466 -9.201 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.533 -11.616 -6.183 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.067 -11.157 -6.896 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -1.433 -9.500 -6.974 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -3.199 -9.217 -10.814 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -1.100 -8.708 -9.379 1.00 0.00 H new ATOM 1564 N TYR A 102 -5.857 -8.072 -4.622 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.038 -7.227 -4.671 1.00 0.00 C ATOM 1566 C TYR A 102 -8.126 -7.855 -5.545 1.00 0.00 C ATOM 1567 O TYR A 102 -8.578 -7.247 -6.513 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.588 -5.910 -5.307 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.645 -6.084 -6.499 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -4.292 -6.259 -6.288 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -6.146 -6.067 -7.784 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -3.404 -6.424 -7.410 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -5.258 -6.232 -8.906 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.931 -6.402 -8.663 1.00 0.00 C ATOM 1575 OH TYR A 102 -3.092 -6.557 -9.722 1.00 0.00 O ATOM 0 H TYR A 102 -5.320 -8.005 -3.757 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.453 -7.089 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.469 -5.356 -5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.091 -5.304 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.899 -6.272 -5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.204 -5.930 -7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.344 -6.562 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.637 -6.221 -9.917 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.323 -7.102 -9.453 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.515 -9.065 -5.170 1.00 0.00 N ATOM 1586 CA ALA A 103 -9.709 -9.674 -5.731 1.00 0.00 C ATOM 1587 C ALA A 103 -10.880 -9.472 -4.768 1.00 0.00 C ATOM 1588 O ALA A 103 -11.980 -9.116 -5.188 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.440 -11.153 -6.020 1.00 0.00 C ATOM 0 H ALA A 103 -8.025 -9.640 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.974 -9.200 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.336 -11.610 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.619 -11.241 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.174 -11.662 -5.094 1.00 0.00 H new ATOM 1595 N THR A 104 -10.604 -9.707 -3.494 1.00 0.00 N ATOM 1596 CA THR A 104 -11.542 -9.343 -2.445 1.00 0.00 C ATOM 1597 C THR A 104 -10.807 -8.670 -1.284 1.00 0.00 C ATOM 1598 O THR A 104 -9.578 -8.674 -1.236 1.00 0.00 O ATOM 1599 CB THR A 104 -12.304 -10.603 -2.033 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.280 -11.563 -1.784 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.107 -11.206 -3.188 1.00 0.00 C ATOM 0 H THR A 104 -9.744 -10.145 -3.164 1.00 0.00 H new ATOM 0 HA THR A 104 -12.267 -8.610 -2.799 1.00 0.00 H new ATOM 0 HB THR A 104 -12.976 -10.367 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.469 -11.105 -1.478 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.629 -12.098 -2.842 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.834 -10.477 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.431 -11.473 -4.000 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.592 -8.108 -0.376 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.039 -7.276 0.680 1.00 0.00 C ATOM 1611 C PHE A 105 -11.748 -7.534 2.010 1.00 0.00 C ATOM 1612 O PHE A 105 -12.880 -8.016 2.031 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.266 -5.820 0.268 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.322 -5.330 -0.831 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -10.670 -5.467 -2.139 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -9.134 -4.756 -0.501 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -9.794 -5.012 -3.159 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -8.258 -4.300 -1.521 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.606 -4.438 -2.829 1.00 0.00 C ATOM 0 H PHE A 105 -12.606 -8.212 -0.350 1.00 0.00 H new ATOM 0 HA PHE A 105 -9.981 -7.500 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.295 -5.706 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.149 -5.183 1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -11.614 -5.922 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -8.857 -4.647 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.071 -5.122 -4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.315 -3.843 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.939 -4.092 -3.605 1.00 0.00 H new ATOM 1629 N THR A 106 -11.054 -7.202 3.089 1.00 0.00 N ATOM 1630 CA THR A 106 -11.635 -7.315 4.416 1.00 0.00 C ATOM 1631 C THR A 106 -11.366 -6.044 5.225 1.00 0.00 C ATOM 1632 O THR A 106 -10.245 -5.538 5.238 1.00 0.00 O ATOM 1633 CB THR A 106 -11.078 -8.581 5.070 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.538 -9.636 4.230 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.726 -8.873 6.425 1.00 0.00 C ATOM 0 H THR A 106 -10.095 -6.855 3.071 1.00 0.00 H new ATOM 0 HA THR A 106 -12.720 -7.408 4.367 1.00 0.00 H new ATOM 0 HB THR A 106 -10.000 -8.480 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.221 -10.495 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.295 -9.781 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.545 -8.038 7.102 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.800 -9.008 6.293 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.413 -5.565 5.880 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.322 -4.325 6.632 1.00 0.00 C ATOM 1645 C ARG A 107 -11.604 -4.562 7.962 1.00 0.00 C ATOM 1646 O ARG A 107 -11.945 -5.484 8.700 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.711 -3.745 6.907 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.614 -2.302 7.405 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.972 -1.601 7.326 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.906 -0.290 8.007 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.274 -0.084 9.279 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -15.464 -1.128 10.098 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.451 1.164 9.733 1.00 0.00 N ATOM 0 H ARG A 107 -13.329 -6.013 5.906 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.756 -3.614 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.310 -3.780 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.224 -4.356 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -13.255 -2.292 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.884 -1.756 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.260 -1.464 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.738 -2.222 7.789 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.558 0.508 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -15.328 -2.078 9.753 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.744 -0.972 11.066 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.306 1.959 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.731 1.319 10.701 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.621 -3.713 8.226 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.806 -3.860 9.420 1.00 0.00 C ATOM 1669 C ILE A 108 -10.236 -2.822 10.458 1.00 0.00 C ATOM 1670 O ILE A 108 -10.299 -3.119 11.650 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.319 -3.795 9.065 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.766 -2.384 9.276 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.073 -4.300 7.641 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.621 -2.070 10.767 1.00 0.00 C ATOM 0 H ILE A 108 -10.371 -2.921 7.634 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.961 -4.842 9.868 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.777 -4.457 9.740 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.797 -2.292 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.430 -1.656 8.810 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.008 -4.243 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.407 -5.334 7.559 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.628 -3.682 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.226 -1.061 10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.596 -2.139 11.250 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.938 -2.785 11.225 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.522 -1.625 9.967 1.00 0.00 N ATOM 1687 CA ARG A 109 -11.160 -0.611 10.789 1.00 0.00 C ATOM 1688 C ARG A 109 -12.372 -1.202 11.514 1.00 0.00 C ATOM 1689 O ARG A 109 -12.586 -0.803 12.679 1.00 0.00 O ATOM 1690 CB ARG A 109 -11.612 0.581 9.943 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.064 1.743 10.830 1.00 0.00 C ATOM 1692 CD ARG A 109 -12.516 2.935 9.984 1.00 0.00 C ATOM 1693 NE ARG A 109 -11.474 3.986 9.993 1.00 0.00 N ATOM 1694 CZ ARG A 109 -11.243 4.806 11.028 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -11.936 4.660 12.166 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -10.320 5.771 10.925 1.00 0.00 N ATOM 0 H ARG A 109 -10.323 -1.335 9.010 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.427 -0.266 11.519 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.794 0.906 9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.430 0.278 9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.882 1.418 11.473 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.246 2.046 11.484 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.710 2.613 8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.451 3.335 10.375 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.896 4.093 9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.639 3.925 12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.760 5.284 12.954 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -9.793 5.882 10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.144 6.395 11.713 1.00 0.00 H new TER 1710 ARG A 109