USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 0 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 28 THR OG1 : rot -28:sc= -1.41! USER MOD Set 1.2: A 31 SER OG : rot 105:sc= 1.01 USER MOD Set 2.1: A 3 GLN :FLIP amide:sc= -0.271 F(o=-1.2,f=-0.17) USER MOD Set 2.2: A 25 SER OG : rot -115:sc= 0.106 USER MOD Single : A 1 GLU N :NH3+ 145:sc= -0.67 (180deg=-2.29!) USER MOD Single : A 7 SER OG : rot 180:sc=0.000703 USER MOD Single : A 13 GLN : amide:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 17 SER OG : rot -100:sc= -0.0393! USER MOD Single : A 21 SER OG : rot -128:sc= 0.329 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 132:sc= -12.5! (180deg=-18.1!) USER MOD Single : A 35 SER OG : rot -165:sc= -7.5! USER MOD Single : A 39 GLN :FLIP amide:sc= 1.22 F(o=0,f=1.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 11:sc= 0.736 USER MOD Single : A 52 SER OG : rot -169:sc= -1.47 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -81:sc= 0.153 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= -0.338 (180deg=-2.05!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.3!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0186) USER MOD Single : A 77 ASN : amide:sc= -3.91! C(o=-3.9!,f=-12!) USER MOD Single : A 78 THR OG1 : rot 62:sc= -1.22 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.595 F(o=-3.4!,f=-0.6) USER MOD Single : A 83 MET CE :methyl 156:sc= -15.4! (180deg=-17.6!) USER MOD Single : A 84 ASN : amide:sc= -1.65! C(o=-1.6!,f=-8.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= -0.0111 (180deg=-0.227) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -2.25! USER MOD Single : A 109 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.59) USER MOD Single : A 111 THR OG1 : rot 165:sc= -0.434 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 116 SER OG : rot 64:sc= 0.0297 USER MOD Single : A 117 SER OG : rot -5:sc= 0.628! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.406 12.738 -12.661 1.00 0.00 N ATOM 2 CA GLU A 1 -14.498 11.716 -13.744 1.00 0.00 C ATOM 3 C GLU A 1 -13.269 10.811 -13.693 1.00 0.00 C ATOM 4 O GLU A 1 -12.593 10.608 -14.683 1.00 0.00 O ATOM 5 CB GLU A 1 -14.556 12.414 -15.103 1.00 0.00 C ATOM 6 CG GLU A 1 -13.452 13.470 -15.181 1.00 0.00 C ATOM 7 CD GLU A 1 -14.032 14.775 -15.725 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.179 15.060 -15.423 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.321 15.467 -16.433 1.00 0.00 O ATOM 0 H1 GLU A 1 -14.817 13.634 -12.993 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.928 12.406 -11.825 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.408 12.888 -12.409 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.399 11.119 -13.603 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.434 11.685 -15.904 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.531 12.881 -15.243 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -13.021 13.635 -14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.646 13.121 -15.826 1.00 0.00 H new ATOM 10 N VAL A 2 -12.973 10.265 -12.549 1.00 0.00 N ATOM 11 CA VAL A 2 -11.787 9.375 -12.438 1.00 0.00 C ATOM 12 C VAL A 2 -12.229 7.914 -12.614 1.00 0.00 C ATOM 13 O VAL A 2 -13.335 7.544 -12.274 1.00 0.00 O ATOM 14 CB VAL A 2 -11.121 9.591 -11.063 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.683 8.610 -10.029 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.607 9.385 -11.190 1.00 0.00 C ATOM 0 H VAL A 2 -13.501 10.396 -11.686 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.062 9.611 -13.217 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.331 10.608 -10.731 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.200 8.779 -9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.757 8.764 -9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.492 7.588 -10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.136 9.538 -10.219 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.405 8.371 -11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.201 10.100 -11.906 1.00 0.00 H new ATOM 17 N GLN A 3 -11.366 7.086 -13.130 1.00 0.00 N ATOM 18 CA GLN A 3 -11.716 5.649 -13.318 1.00 0.00 C ATOM 19 C GLN A 3 -10.557 4.825 -12.779 1.00 0.00 C ATOM 20 O GLN A 3 -9.435 5.285 -12.778 1.00 0.00 O ATOM 21 CB GLN A 3 -11.917 5.350 -14.805 1.00 0.00 C ATOM 22 CG GLN A 3 -13.345 5.717 -15.210 1.00 0.00 C ATOM 23 CD GLN A 3 -13.513 5.522 -16.718 1.00 0.00 C ATOM 24 OE1 GLN A 3 -13.090 6.447 -17.534 1.00 0.00 O flip ATOM 25 NE2 GLN A 3 -14.038 4.518 -17.157 1.00 0.00 N flip ATOM 0 H GLN A 3 -10.426 7.343 -13.432 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.640 5.407 -12.793 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.202 5.917 -15.401 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.731 4.294 -15.003 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.059 5.095 -14.670 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.556 6.752 -14.940 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.369 3.795 -16.519 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.148 4.399 -18.164 1.00 0.00 H new ATOM 26 N LEU A 4 -10.793 3.635 -12.289 1.00 0.00 N ATOM 27 CA LEU A 4 -9.646 2.863 -11.735 1.00 0.00 C ATOM 28 C LEU A 4 -10.110 1.656 -10.920 1.00 0.00 C ATOM 29 O LEU A 4 -11.275 1.489 -10.617 1.00 0.00 O ATOM 30 CB LEU A 4 -8.846 3.771 -10.802 1.00 0.00 C ATOM 31 CG LEU A 4 -9.786 4.764 -10.102 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.764 4.517 -8.597 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.332 6.192 -10.406 1.00 0.00 C ATOM 0 H LEU A 4 -11.703 3.177 -12.249 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.047 2.512 -12.575 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.320 3.171 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.089 4.312 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.803 4.626 -10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.432 5.223 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.095 3.499 -8.390 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.750 4.652 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.998 6.899 -9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.315 6.336 -10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.360 6.361 -11.482 1.00 0.00 H new ATOM 34 N VAL A 5 -9.169 0.827 -10.544 1.00 0.00 N ATOM 35 CA VAL A 5 -9.472 -0.381 -9.718 1.00 0.00 C ATOM 36 C VAL A 5 -8.227 -1.282 -9.671 1.00 0.00 C ATOM 37 O VAL A 5 -7.919 -1.971 -10.622 1.00 0.00 O ATOM 38 CB VAL A 5 -10.665 -1.173 -10.285 1.00 0.00 C ATOM 39 CG1 VAL A 5 -11.923 -0.806 -9.499 1.00 0.00 C ATOM 40 CG2 VAL A 5 -10.898 -0.860 -11.771 1.00 0.00 C ATOM 0 H VAL A 5 -8.183 0.940 -10.780 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.740 -0.052 -8.714 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.443 -2.236 -10.191 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.774 -1.362 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.781 -1.057 -8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.113 0.263 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.748 -1.437 -12.136 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.104 0.204 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.008 -1.124 -12.342 1.00 0.00 H new ATOM 41 N GLU A 6 -7.513 -1.270 -8.564 1.00 0.00 N ATOM 42 CA GLU A 6 -6.277 -2.115 -8.424 1.00 0.00 C ATOM 43 C GLU A 6 -6.434 -3.414 -9.223 1.00 0.00 C ATOM 44 O GLU A 6 -7.530 -3.900 -9.420 1.00 0.00 O ATOM 45 CB GLU A 6 -6.059 -2.460 -6.947 1.00 0.00 C ATOM 46 CG GLU A 6 -7.404 -2.496 -6.216 1.00 0.00 C ATOM 47 CD GLU A 6 -8.418 -3.292 -7.042 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.181 -4.468 -7.257 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.410 -2.709 -7.446 1.00 0.00 O ATOM 0 H GLU A 6 -7.737 -0.705 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.422 -1.557 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.562 -3.426 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.404 -1.722 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.283 -2.952 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.768 -1.482 -6.054 1.00 0.00 H new ATOM 50 N SER A 7 -5.354 -3.987 -9.690 1.00 0.00 N ATOM 51 CA SER A 7 -5.476 -5.246 -10.477 1.00 0.00 C ATOM 52 C SER A 7 -4.086 -5.801 -10.787 1.00 0.00 C ATOM 53 O SER A 7 -3.133 -5.549 -10.077 1.00 0.00 O ATOM 54 CB SER A 7 -6.210 -4.955 -11.787 1.00 0.00 C ATOM 55 OG SER A 7 -6.984 -6.089 -12.153 1.00 0.00 O ATOM 0 H SER A 7 -4.403 -3.640 -9.561 1.00 0.00 H new ATOM 0 HA SER A 7 -6.035 -5.980 -9.897 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.854 -4.083 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.494 -4.720 -12.574 1.00 0.00 H new ATOM 0 HG SER A 7 -7.457 -5.905 -12.991 1.00 0.00 H new ATOM 56 N GLY A 8 -3.965 -6.562 -11.841 1.00 0.00 N ATOM 57 CA GLY A 8 -2.642 -7.143 -12.198 1.00 0.00 C ATOM 58 C GLY A 8 -2.591 -8.593 -11.713 1.00 0.00 C ATOM 59 O GLY A 8 -2.983 -9.506 -12.410 1.00 0.00 O ATOM 0 H GLY A 8 -4.729 -6.806 -12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.490 -7.101 -13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.840 -6.564 -11.740 1.00 0.00 H new ATOM 60 N GLY A 9 -2.123 -8.806 -10.515 1.00 0.00 N ATOM 61 CA GLY A 9 -2.059 -10.191 -9.976 1.00 0.00 C ATOM 62 C GLY A 9 -0.727 -10.834 -10.366 1.00 0.00 C ATOM 63 O GLY A 9 -0.575 -11.364 -11.449 1.00 0.00 O ATOM 0 H GLY A 9 -1.782 -8.079 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.162 -10.175 -8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.887 -10.782 -10.366 1.00 0.00 H new ATOM 64 N GLY A 10 0.236 -10.795 -9.488 1.00 0.00 N ATOM 65 CA GLY A 10 1.559 -11.404 -9.799 1.00 0.00 C ATOM 66 C GLY A 10 2.012 -12.262 -8.612 1.00 0.00 C ATOM 67 O GLY A 10 1.546 -12.094 -7.500 1.00 0.00 O ATOM 0 H GLY A 10 0.163 -10.366 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.489 -12.015 -10.699 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.293 -10.624 -10.000 1.00 0.00 H new ATOM 68 N LEU A 11 2.917 -13.177 -8.833 1.00 0.00 N ATOM 69 CA LEU A 11 3.396 -14.027 -7.706 1.00 0.00 C ATOM 70 C LEU A 11 4.585 -13.335 -7.042 1.00 0.00 C ATOM 71 O LEU A 11 5.191 -12.448 -7.610 1.00 0.00 O ATOM 72 CB LEU A 11 3.832 -15.396 -8.229 1.00 0.00 C ATOM 73 CG LEU A 11 2.629 -16.125 -8.828 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.113 -17.103 -9.900 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.896 -16.899 -7.727 1.00 0.00 C ATOM 0 H LEU A 11 3.343 -13.372 -9.739 1.00 0.00 H new ATOM 0 HA LEU A 11 2.590 -14.166 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.610 -15.277 -8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.261 -15.986 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 11 1.949 -15.399 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.258 -17.625 -10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.634 -16.554 -10.684 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.792 -17.828 -9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.039 -17.418 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.574 -17.626 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.553 -16.204 -6.960 1.00 0.00 H new ATOM 76 N VAL A 12 4.923 -13.717 -5.843 1.00 0.00 N ATOM 77 CA VAL A 12 6.071 -13.050 -5.162 1.00 0.00 C ATOM 78 C VAL A 12 6.660 -13.963 -4.091 1.00 0.00 C ATOM 79 O VAL A 12 6.559 -13.682 -2.921 1.00 0.00 O ATOM 80 CB VAL A 12 5.602 -11.754 -4.492 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.130 -10.554 -5.278 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.070 -11.708 -4.454 1.00 0.00 C ATOM 0 H VAL A 12 4.462 -14.453 -5.309 1.00 0.00 H new ATOM 0 HA VAL A 12 6.829 -12.830 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 12 5.985 -11.720 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.797 -9.632 -4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.220 -10.581 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.751 -10.593 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.745 -10.784 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.679 -11.747 -5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.694 -12.560 -3.888 1.00 0.00 H new ATOM 83 N GLN A 13 7.278 -15.040 -4.472 1.00 0.00 N ATOM 84 CA GLN A 13 7.884 -15.950 -3.456 1.00 0.00 C ATOM 85 C GLN A 13 8.799 -15.111 -2.529 1.00 0.00 C ATOM 86 O GLN A 13 8.776 -13.900 -2.599 1.00 0.00 O ATOM 87 CB GLN A 13 8.670 -17.031 -4.211 1.00 0.00 C ATOM 88 CG GLN A 13 10.080 -16.527 -4.542 1.00 0.00 C ATOM 89 CD GLN A 13 10.803 -17.568 -5.397 1.00 0.00 C ATOM 90 OE1 GLN A 13 11.542 -18.385 -4.886 1.00 0.00 O ATOM 91 NE2 GLN A 13 10.618 -17.573 -6.689 1.00 0.00 N ATOM 0 H GLN A 13 7.392 -15.334 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 13 7.130 -16.434 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.732 -17.935 -3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.146 -17.297 -5.129 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.023 -15.578 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.638 -16.344 -3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.997 -16.887 -7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.094 -18.263 -7.270 1.00 0.00 H new ATOM 92 N PRO A 14 9.592 -15.754 -1.695 1.00 0.00 N ATOM 93 CA PRO A 14 10.511 -15.041 -0.775 1.00 0.00 C ATOM 94 C PRO A 14 11.674 -14.353 -1.507 1.00 0.00 C ATOM 95 O PRO A 14 12.661 -13.971 -0.910 1.00 0.00 O ATOM 96 CB PRO A 14 10.959 -16.121 0.212 1.00 0.00 C ATOM 97 CG PRO A 14 10.676 -17.479 -0.460 1.00 0.00 C ATOM 98 CD PRO A 14 9.660 -17.225 -1.582 1.00 0.00 C ATOM 0 HA PRO A 14 10.026 -14.208 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.019 -16.017 0.444 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.416 -16.034 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.594 -17.909 -0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.280 -18.192 0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.981 -17.680 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.686 -17.650 -1.339 1.00 0.00 H new ATOM 99 N GLY A 15 11.520 -14.122 -2.778 1.00 0.00 N ATOM 100 CA GLY A 15 12.546 -13.382 -3.557 1.00 0.00 C ATOM 101 C GLY A 15 11.871 -12.088 -4.018 1.00 0.00 C ATOM 102 O GLY A 15 12.486 -11.046 -4.123 1.00 0.00 O ATOM 0 H GLY A 15 10.710 -14.421 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.422 -13.169 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.888 -13.969 -4.409 1.00 0.00 H new ATOM 103 N GLY A 16 10.581 -12.161 -4.247 1.00 0.00 N ATOM 104 CA GLY A 16 9.795 -10.966 -4.651 1.00 0.00 C ATOM 105 C GLY A 16 10.088 -10.558 -6.089 1.00 0.00 C ATOM 106 O GLY A 16 11.187 -10.709 -6.585 1.00 0.00 O ATOM 0 H GLY A 16 10.035 -13.019 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.731 -11.177 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.026 -10.136 -3.983 1.00 0.00 H new ATOM 107 N SER A 17 9.087 -10.025 -6.738 1.00 0.00 N ATOM 108 CA SER A 17 9.213 -9.562 -8.146 1.00 0.00 C ATOM 109 C SER A 17 7.856 -9.746 -8.821 1.00 0.00 C ATOM 110 O SER A 17 7.660 -10.670 -9.585 1.00 0.00 O ATOM 111 CB SER A 17 10.261 -10.391 -8.891 1.00 0.00 C ATOM 112 OG SER A 17 10.203 -11.738 -8.441 1.00 0.00 O ATOM 0 H SER A 17 8.160 -9.889 -6.335 1.00 0.00 H new ATOM 0 HA SER A 17 9.523 -8.517 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.080 -10.346 -9.965 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.256 -9.981 -8.718 1.00 0.00 H new ATOM 0 HG SER A 17 10.916 -11.896 -7.788 1.00 0.00 H new ATOM 113 N LEU A 18 6.900 -8.899 -8.535 1.00 0.00 N ATOM 114 CA LEU A 18 5.564 -9.086 -9.162 1.00 0.00 C ATOM 115 C LEU A 18 5.149 -7.841 -9.931 1.00 0.00 C ATOM 116 O LEU A 18 5.722 -6.776 -9.799 1.00 0.00 O ATOM 117 CB LEU A 18 4.533 -9.439 -8.074 1.00 0.00 C ATOM 118 CG LEU A 18 3.285 -8.542 -8.126 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.164 -9.184 -7.316 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.619 -7.168 -7.542 1.00 0.00 C ATOM 0 H LEU A 18 6.986 -8.101 -7.906 1.00 0.00 H new ATOM 0 HA LEU A 18 5.615 -9.907 -9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.232 -10.480 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.000 -9.348 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 18 2.963 -8.426 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.279 -8.549 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.926 -10.162 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.484 -9.301 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.734 -6.532 -7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.942 -7.281 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.419 -6.710 -8.123 1.00 0.00 H new ATOM 121 N ARG A 19 4.146 -7.996 -10.738 1.00 0.00 N ATOM 122 CA ARG A 19 3.641 -6.877 -11.550 1.00 0.00 C ATOM 123 C ARG A 19 2.188 -6.577 -11.165 1.00 0.00 C ATOM 124 O ARG A 19 1.261 -7.039 -11.800 1.00 0.00 O ATOM 125 CB ARG A 19 3.705 -7.314 -13.001 1.00 0.00 C ATOM 126 CG ARG A 19 4.339 -6.212 -13.852 1.00 0.00 C ATOM 127 CD ARG A 19 5.012 -6.835 -15.076 1.00 0.00 C ATOM 128 NE ARG A 19 4.492 -6.186 -16.314 1.00 0.00 N ATOM 129 CZ ARG A 19 5.119 -5.164 -16.827 1.00 0.00 C ATOM 130 NH1 ARG A 19 6.126 -5.356 -17.637 1.00 0.00 N ATOM 131 NH2 ARG A 19 4.738 -3.950 -16.532 1.00 0.00 N ATOM 0 H ARG A 19 3.646 -8.875 -10.868 1.00 0.00 H new ATOM 0 HA ARG A 19 4.235 -5.977 -11.388 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.287 -8.232 -13.088 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.703 -7.536 -13.367 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.578 -5.498 -14.167 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.071 -5.659 -13.263 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.093 -6.709 -15.013 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.817 -7.907 -15.105 1.00 0.00 H new ATOM 0 HE ARG A 19 3.646 -6.541 -16.759 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.421 -6.305 -17.868 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.617 -4.557 -18.039 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.951 -3.802 -15.901 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.228 -3.150 -16.933 1.00 0.00 H new ATOM 132 N LEU A 20 1.983 -5.806 -10.133 1.00 0.00 N ATOM 133 CA LEU A 20 0.588 -5.472 -9.706 1.00 0.00 C ATOM 134 C LEU A 20 0.329 -3.996 -10.037 1.00 0.00 C ATOM 135 O LEU A 20 1.182 -3.155 -9.839 1.00 0.00 O ATOM 136 CB LEU A 20 0.458 -5.740 -8.209 1.00 0.00 C ATOM 137 CG LEU A 20 -0.990 -5.560 -7.771 1.00 0.00 C ATOM 138 CD1 LEU A 20 -1.698 -6.911 -7.721 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.988 -4.931 -6.384 1.00 0.00 C ATOM 0 H LEU A 20 2.720 -5.390 -9.564 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.149 -6.084 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.792 -6.752 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.102 -5.060 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.517 -4.922 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.732 -6.769 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.679 -7.368 -8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.189 -7.562 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.015 -4.791 -6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.463 -5.586 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.484 -3.965 -6.423 1.00 0.00 H new ATOM 140 N SER A 21 -0.808 -3.680 -10.604 1.00 0.00 N ATOM 141 CA SER A 21 -1.056 -2.265 -11.023 1.00 0.00 C ATOM 142 C SER A 21 -2.304 -1.636 -10.384 1.00 0.00 C ATOM 143 O SER A 21 -2.930 -2.176 -9.494 1.00 0.00 O ATOM 144 CB SER A 21 -1.267 -2.267 -12.534 1.00 0.00 C ATOM 145 OG SER A 21 -1.622 -3.578 -12.958 1.00 0.00 O ATOM 0 H SER A 21 -1.569 -4.332 -10.794 1.00 0.00 H new ATOM 0 HA SER A 21 -0.197 -1.677 -10.701 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.052 -1.560 -12.804 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.358 -1.943 -13.040 1.00 0.00 H new ATOM 0 HG SER A 21 -1.034 -3.855 -13.692 1.00 0.00 H new ATOM 146 N CYS A 22 -2.659 -0.480 -10.901 1.00 0.00 N ATOM 147 CA CYS A 22 -3.859 0.280 -10.455 1.00 0.00 C ATOM 148 C CYS A 22 -4.694 0.537 -11.700 1.00 0.00 C ATOM 149 O CYS A 22 -4.322 1.345 -12.533 1.00 0.00 O ATOM 150 CB CYS A 22 -3.451 1.653 -9.906 1.00 0.00 C ATOM 151 SG CYS A 22 -3.277 1.616 -8.109 1.00 0.00 S ATOM 0 H CYS A 22 -2.137 -0.019 -11.646 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.389 -0.281 -9.685 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.509 1.963 -10.358 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.198 2.396 -10.186 1.00 0.00 H new ATOM 152 N ALA A 23 -5.802 -0.116 -11.861 1.00 0.00 N ATOM 153 CA ALA A 23 -6.606 0.159 -13.073 1.00 0.00 C ATOM 154 C ALA A 23 -6.875 1.660 -13.101 1.00 0.00 C ATOM 155 O ALA A 23 -6.767 2.329 -12.092 1.00 0.00 O ATOM 156 CB ALA A 23 -7.921 -0.609 -13.012 1.00 0.00 C ATOM 0 H ALA A 23 -6.180 -0.814 -11.221 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.076 -0.156 -13.972 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.506 -0.401 -13.908 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.716 -1.678 -12.953 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.483 -0.299 -12.131 1.00 0.00 H new ATOM 157 N ALA A 24 -7.216 2.201 -14.230 1.00 0.00 N ATOM 158 CA ALA A 24 -7.475 3.664 -14.287 1.00 0.00 C ATOM 159 C ALA A 24 -7.730 4.094 -15.733 1.00 0.00 C ATOM 160 O ALA A 24 -7.113 3.602 -16.670 1.00 0.00 O ATOM 161 CB ALA A 24 -6.272 4.422 -13.719 1.00 0.00 C ATOM 0 H ALA A 24 -7.327 1.700 -15.112 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.358 3.895 -13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.464 5.494 -13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.110 4.124 -12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.384 4.189 -14.307 1.00 0.00 H new ATOM 162 N SER A 25 -8.650 5.002 -15.919 1.00 0.00 N ATOM 163 CA SER A 25 -8.984 5.463 -17.291 1.00 0.00 C ATOM 164 C SER A 25 -9.191 6.977 -17.306 1.00 0.00 C ATOM 165 O SER A 25 -9.277 7.613 -16.276 1.00 0.00 O ATOM 166 CB SER A 25 -10.280 4.782 -17.713 1.00 0.00 C ATOM 167 OG SER A 25 -10.759 5.378 -18.911 1.00 0.00 O ATOM 0 H SER A 25 -9.186 5.445 -15.173 1.00 0.00 H new ATOM 0 HA SER A 25 -8.170 5.213 -17.972 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.110 3.716 -17.867 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.026 4.875 -16.924 1.00 0.00 H new ATOM 0 HG SER A 25 -11.610 5.830 -18.734 1.00 0.00 H new ATOM 168 N GLY A 26 -9.291 7.551 -18.476 1.00 0.00 N ATOM 169 CA GLY A 26 -9.514 9.022 -18.586 1.00 0.00 C ATOM 170 C GLY A 26 -8.496 9.784 -17.740 1.00 0.00 C ATOM 171 O GLY A 26 -7.460 10.200 -18.217 1.00 0.00 O ATOM 0 H GLY A 26 -9.227 7.059 -19.367 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.433 9.331 -19.628 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.524 9.268 -18.258 1.00 0.00 H new ATOM 172 N PHE A 27 -8.793 9.981 -16.487 1.00 0.00 N ATOM 173 CA PHE A 27 -7.862 10.729 -15.596 1.00 0.00 C ATOM 174 C PHE A 27 -6.419 10.226 -15.780 1.00 0.00 C ATOM 175 O PHE A 27 -5.483 10.903 -15.418 1.00 0.00 O ATOM 176 CB PHE A 27 -8.327 10.545 -14.130 1.00 0.00 C ATOM 177 CG PHE A 27 -7.360 9.670 -13.358 1.00 0.00 C ATOM 178 CD1 PHE A 27 -6.094 10.161 -13.025 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.721 8.367 -12.991 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.192 9.364 -12.334 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.815 7.564 -12.292 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.550 8.060 -11.963 1.00 0.00 C ATOM 0 H PHE A 27 -9.648 9.653 -16.037 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.876 11.788 -15.852 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.408 11.518 -13.646 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.321 10.097 -14.114 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.816 11.166 -13.307 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.697 7.984 -13.248 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.215 9.748 -12.082 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.092 6.560 -12.006 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.849 7.440 -11.424 1.00 0.00 H new ATOM 183 N THR A 28 -6.246 9.035 -16.295 1.00 0.00 N ATOM 184 CA THR A 28 -4.876 8.456 -16.467 1.00 0.00 C ATOM 185 C THR A 28 -4.336 8.051 -15.089 1.00 0.00 C ATOM 186 O THR A 28 -5.010 7.368 -14.346 1.00 0.00 O ATOM 187 CB THR A 28 -3.928 9.446 -17.172 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.491 10.447 -16.270 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.652 10.099 -18.348 1.00 0.00 C ATOM 0 H THR A 28 -7.005 8.430 -16.608 1.00 0.00 H new ATOM 0 HA THR A 28 -4.936 7.575 -17.106 1.00 0.00 H new ATOM 0 HB THR A 28 -3.058 8.898 -17.534 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.169 10.580 -15.575 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.980 10.799 -18.845 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.964 9.331 -19.055 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.529 10.634 -17.984 1.00 0.00 H new ATOM 190 N PHE A 29 -3.130 8.418 -14.740 1.00 0.00 N ATOM 191 CA PHE A 29 -2.583 7.991 -13.412 1.00 0.00 C ATOM 192 C PHE A 29 -1.493 8.967 -12.981 1.00 0.00 C ATOM 193 O PHE A 29 -1.456 9.430 -11.859 1.00 0.00 O ATOM 194 CB PHE A 29 -1.977 6.593 -13.544 1.00 0.00 C ATOM 195 CG PHE A 29 -2.593 5.926 -14.737 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.191 6.295 -16.028 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.599 4.979 -14.557 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.798 5.706 -17.132 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.199 4.391 -15.662 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.800 4.756 -16.948 1.00 0.00 C ATOM 0 H PHE A 29 -2.504 8.989 -15.308 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.383 7.979 -12.672 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.895 6.657 -13.661 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.166 6.010 -12.643 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.414 7.033 -16.165 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.911 4.703 -13.561 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.493 5.985 -18.130 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.974 3.651 -15.526 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.271 4.299 -17.806 1.00 0.00 H new ATOM 201 N SER A 30 -0.611 9.283 -13.883 1.00 0.00 N ATOM 202 CA SER A 30 0.486 10.234 -13.564 1.00 0.00 C ATOM 203 C SER A 30 -0.026 11.648 -13.802 1.00 0.00 C ATOM 204 O SER A 30 0.372 12.587 -13.143 1.00 0.00 O ATOM 205 CB SER A 30 1.685 9.960 -14.476 1.00 0.00 C ATOM 206 OG SER A 30 1.682 10.891 -15.550 1.00 0.00 O ATOM 0 H SER A 30 -0.603 8.920 -14.836 1.00 0.00 H new ATOM 0 HA SER A 30 0.799 10.116 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.613 10.043 -13.910 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.637 8.942 -14.862 1.00 0.00 H new ATOM 0 HG SER A 30 2.450 10.719 -16.134 1.00 0.00 H new ATOM 207 N SER A 31 -0.919 11.802 -14.739 1.00 0.00 N ATOM 208 CA SER A 31 -1.472 13.155 -15.011 1.00 0.00 C ATOM 209 C SER A 31 -1.972 13.743 -13.695 1.00 0.00 C ATOM 210 O SER A 31 -1.751 14.900 -13.394 1.00 0.00 O ATOM 211 CB SER A 31 -2.636 13.055 -15.997 1.00 0.00 C ATOM 212 OG SER A 31 -2.174 12.501 -17.221 1.00 0.00 O ATOM 0 H SER A 31 -1.288 11.053 -15.325 1.00 0.00 H new ATOM 0 HA SER A 31 -0.699 13.791 -15.443 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.428 12.433 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.065 14.042 -16.171 1.00 0.00 H new ATOM 0 HG SER A 31 -2.472 11.570 -17.292 1.00 0.00 H new ATOM 213 N TYR A 32 -2.646 12.951 -12.901 1.00 0.00 N ATOM 214 CA TYR A 32 -3.155 13.470 -11.601 1.00 0.00 C ATOM 215 C TYR A 32 -2.468 12.735 -10.452 1.00 0.00 C ATOM 216 O TYR A 32 -2.925 12.751 -9.327 1.00 0.00 O ATOM 217 CB TYR A 32 -4.665 13.260 -11.533 1.00 0.00 C ATOM 218 CG TYR A 32 -5.283 13.789 -12.801 1.00 0.00 C ATOM 219 CD1 TYR A 32 -5.062 13.123 -14.009 1.00 0.00 C ATOM 220 CD2 TYR A 32 -6.064 14.950 -12.772 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.625 13.613 -15.193 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.628 15.442 -13.954 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.409 14.774 -15.166 1.00 0.00 C ATOM 224 OH TYR A 32 -6.966 15.260 -16.332 1.00 0.00 O ATOM 0 H TYR A 32 -2.864 11.974 -13.097 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.937 14.535 -11.517 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.894 12.201 -11.414 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.080 13.775 -10.667 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.456 12.229 -14.029 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.231 15.466 -11.838 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.455 13.097 -16.126 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.232 16.337 -13.932 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.480 16.071 -16.136 1.00 0.00 H new ATOM 225 N ALA A 33 -1.364 12.100 -10.729 1.00 0.00 N ATOM 226 CA ALA A 33 -0.631 11.373 -9.658 1.00 0.00 C ATOM 227 C ALA A 33 -1.557 10.352 -8.998 1.00 0.00 C ATOM 228 O ALA A 33 -2.718 10.245 -9.338 1.00 0.00 O ATOM 229 CB ALA A 33 -0.152 12.376 -8.612 1.00 0.00 C ATOM 0 H ALA A 33 -0.937 12.054 -11.654 1.00 0.00 H new ATOM 0 HA ALA A 33 0.224 10.853 -10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.386 11.850 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.511 13.103 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.011 12.892 -8.183 1.00 0.00 H new ATOM 230 N MET A 34 -1.052 9.606 -8.047 1.00 0.00 N ATOM 231 CA MET A 34 -1.904 8.597 -7.360 1.00 0.00 C ATOM 232 C MET A 34 -1.044 7.747 -6.424 1.00 0.00 C ATOM 233 O MET A 34 0.110 7.480 -6.693 1.00 0.00 O ATOM 234 CB MET A 34 -2.568 7.671 -8.389 1.00 0.00 C ATOM 235 CG MET A 34 -1.496 6.939 -9.205 1.00 0.00 C ATOM 236 SD MET A 34 -0.903 5.488 -8.287 1.00 0.00 S ATOM 237 CE MET A 34 -2.162 4.311 -8.838 1.00 0.00 C ATOM 0 H MET A 34 -0.087 9.655 -7.720 1.00 0.00 H new ATOM 0 HA MET A 34 -2.672 9.123 -6.792 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.207 6.948 -7.881 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.209 8.252 -9.053 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.907 6.629 -10.166 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.665 7.612 -9.416 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.681 3.388 -9.161 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.844 4.096 -8.015 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.721 4.739 -9.670 1.00 0.00 H new ATOM 238 N SER A 35 -1.616 7.288 -5.352 1.00 0.00 N ATOM 239 CA SER A 35 -0.871 6.413 -4.410 1.00 0.00 C ATOM 240 C SER A 35 -1.582 5.082 -4.395 1.00 0.00 C ATOM 241 O SER A 35 -2.734 5.009 -4.775 1.00 0.00 O ATOM 242 CB SER A 35 -0.920 6.995 -3.013 1.00 0.00 C ATOM 243 OG SER A 35 0.249 7.766 -2.772 1.00 0.00 O ATOM 0 H SER A 35 -2.580 7.484 -5.084 1.00 0.00 H new ATOM 0 HA SER A 35 0.170 6.319 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.807 7.618 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.997 6.194 -2.278 1.00 0.00 H new ATOM 0 HG SER A 35 0.333 7.941 -1.811 1.00 0.00 H new ATOM 244 N TRP A 36 -0.967 4.009 -3.992 1.00 0.00 N ATOM 245 CA TRP A 36 -1.768 2.776 -4.052 1.00 0.00 C ATOM 246 C TRP A 36 -1.120 1.547 -3.411 1.00 0.00 C ATOM 247 O TRP A 36 0.102 1.447 -3.254 1.00 0.00 O ATOM 248 CB TRP A 36 -2.092 2.555 -5.518 1.00 0.00 C ATOM 249 CG TRP A 36 -1.103 1.701 -6.198 1.00 0.00 C ATOM 250 CD1 TRP A 36 0.068 2.118 -6.734 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.230 0.290 -6.500 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.642 1.057 -7.385 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.116 -0.099 -7.260 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.206 -0.683 -6.197 1.00 0.00 C ATOM 255 CZ2 TRP A 36 0.015 -1.407 -7.714 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.061 -1.989 -6.648 1.00 0.00 C ATOM 257 CH2 TRP A 36 -0.951 -2.341 -7.412 1.00 0.00 C ATOM 0 H TRP A 36 -0.010 3.935 -3.647 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.666 2.908 -3.449 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.078 2.099 -5.603 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.142 3.519 -6.024 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.479 3.114 -6.661 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.521 1.111 -7.900 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.071 -0.411 -5.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.874 -1.690 -8.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.808 -2.730 -6.406 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.847 -3.354 -7.770 1.00 0.00 H new ATOM 258 N VAL A 37 -2.012 0.633 -3.038 1.00 0.00 N ATOM 259 CA VAL A 37 -1.678 -0.662 -2.366 1.00 0.00 C ATOM 260 C VAL A 37 -2.175 -0.574 -0.897 1.00 0.00 C ATOM 261 O VAL A 37 -2.838 0.373 -0.565 1.00 0.00 O ATOM 262 CB VAL A 37 -0.166 -0.922 -2.461 1.00 0.00 C ATOM 263 CG1 VAL A 37 0.176 -2.246 -1.813 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.242 -0.993 -3.931 1.00 0.00 C ATOM 0 H VAL A 37 -3.013 0.755 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.171 -1.504 -2.852 1.00 0.00 H new ATOM 0 HB VAL A 37 0.361 -0.114 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.250 -2.420 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.118 -2.224 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.357 -3.049 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.314 -1.177 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.299 -1.803 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.003 -0.049 -4.421 1.00 0.00 H new ATOM 265 N ARG A 38 -1.878 -1.539 -0.032 1.00 0.00 N ATOM 266 CA ARG A 38 -2.296 -1.488 1.410 1.00 0.00 C ATOM 267 C ARG A 38 -3.553 -2.305 1.766 1.00 0.00 C ATOM 268 O ARG A 38 -4.666 -1.824 1.699 1.00 0.00 O ATOM 269 CB ARG A 38 -2.456 -0.040 1.896 1.00 0.00 C ATOM 270 CG ARG A 38 -1.111 0.684 1.760 1.00 0.00 C ATOM 271 CD ARG A 38 -1.253 1.899 0.841 1.00 0.00 C ATOM 272 NE ARG A 38 -2.564 2.562 1.094 1.00 0.00 N ATOM 273 CZ ARG A 38 -2.941 3.569 0.355 1.00 0.00 C ATOM 274 NH1 ARG A 38 -2.057 4.419 -0.092 1.00 0.00 N ATOM 275 NH2 ARG A 38 -4.202 3.725 0.062 1.00 0.00 N ATOM 0 H ARG A 38 -1.350 -2.376 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.475 -1.973 1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.220 0.471 1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.788 -0.026 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.760 1.001 2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.362 0.002 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.438 2.601 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.185 1.590 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.167 2.228 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.070 4.296 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.353 5.206 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.893 3.060 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.498 4.512 -0.516 1.00 0.00 H new ATOM 276 N GLN A 39 -3.340 -3.520 2.251 1.00 0.00 N ATOM 277 CA GLN A 39 -4.450 -4.395 2.745 1.00 0.00 C ATOM 278 C GLN A 39 -3.903 -5.809 2.992 1.00 0.00 C ATOM 279 O GLN A 39 -4.519 -6.793 2.646 1.00 0.00 O ATOM 280 CB GLN A 39 -5.611 -4.450 1.762 1.00 0.00 C ATOM 281 CG GLN A 39 -6.796 -5.138 2.453 1.00 0.00 C ATOM 282 CD GLN A 39 -7.669 -4.085 3.138 1.00 0.00 C ATOM 283 OE1 GLN A 39 -7.539 -3.884 4.421 1.00 0.00 O flip ATOM 284 NE2 GLN A 39 -8.478 -3.440 2.501 1.00 0.00 N flip ATOM 0 H GLN A 39 -2.415 -3.943 2.323 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.832 -3.971 3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.888 -3.445 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.324 -4.999 0.865 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.384 -5.694 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.434 -5.859 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.580 -3.597 1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.055 -2.741 2.969 1.00 0.00 H new ATOM 285 N ALA A 40 -2.744 -5.909 3.591 1.00 0.00 N ATOM 286 CA ALA A 40 -2.135 -7.241 3.865 1.00 0.00 C ATOM 287 C ALA A 40 -2.921 -8.000 4.944 1.00 0.00 C ATOM 288 O ALA A 40 -3.760 -7.435 5.620 1.00 0.00 O ATOM 289 CB ALA A 40 -0.698 -7.030 4.348 1.00 0.00 C ATOM 0 H ALA A 40 -2.189 -5.113 3.905 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.155 -7.831 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.238 -7.996 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.127 -6.513 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.704 -6.431 5.258 1.00 0.00 H new ATOM 290 N PRO A 41 -2.592 -9.265 5.077 1.00 0.00 N ATOM 291 CA PRO A 41 -3.208 -10.172 6.079 1.00 0.00 C ATOM 292 C PRO A 41 -2.814 -9.731 7.498 1.00 0.00 C ATOM 293 O PRO A 41 -2.647 -8.557 7.758 1.00 0.00 O ATOM 294 CB PRO A 41 -2.609 -11.547 5.713 1.00 0.00 C ATOM 295 CG PRO A 41 -1.318 -11.254 4.924 1.00 0.00 C ATOM 296 CD PRO A 41 -1.560 -9.910 4.234 1.00 0.00 C ATOM 0 HA PRO A 41 -4.298 -10.179 6.067 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.395 -12.130 6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.308 -12.130 5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.455 -11.205 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.116 -12.039 4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.649 -9.313 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.906 -10.042 3.209 1.00 0.00 H new ATOM 297 N GLY A 42 -2.639 -10.654 8.419 1.00 0.00 N ATOM 298 CA GLY A 42 -2.231 -10.257 9.802 1.00 0.00 C ATOM 299 C GLY A 42 -1.004 -9.353 9.722 1.00 0.00 C ATOM 300 O GLY A 42 -0.640 -8.694 10.676 1.00 0.00 O ATOM 0 H GLY A 42 -2.761 -11.656 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.049 -9.737 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.007 -11.143 10.397 1.00 0.00 H new ATOM 301 N LYS A 43 -0.373 -9.303 8.580 1.00 0.00 N ATOM 302 CA LYS A 43 0.815 -8.434 8.401 1.00 0.00 C ATOM 303 C LYS A 43 0.387 -6.961 8.305 1.00 0.00 C ATOM 304 O LYS A 43 1.073 -6.159 7.709 1.00 0.00 O ATOM 305 CB LYS A 43 1.496 -8.832 7.090 1.00 0.00 C ATOM 306 CG LYS A 43 2.871 -8.168 7.000 1.00 0.00 C ATOM 307 CD LYS A 43 3.904 -9.031 7.729 1.00 0.00 C ATOM 308 CE LYS A 43 5.112 -8.172 8.107 1.00 0.00 C ATOM 309 NZ LYS A 43 5.508 -8.462 9.515 1.00 0.00 N ATOM 0 H LYS A 43 -0.638 -9.838 7.753 1.00 0.00 H new ATOM 0 HA LYS A 43 1.489 -8.553 9.249 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.601 -9.916 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.880 -8.530 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.158 -8.042 5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.836 -7.173 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.461 -9.469 8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.218 -9.858 7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.944 -8.380 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.869 -7.115 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.329 -7.878 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.715 -8.243 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.757 -9.468 9.606 1.00 0.00 H new ATOM 310 N GLU A 44 -0.738 -6.596 8.867 1.00 0.00 N ATOM 311 CA GLU A 44 -1.188 -5.184 8.777 1.00 0.00 C ATOM 312 C GLU A 44 -1.140 -4.760 7.314 1.00 0.00 C ATOM 313 O GLU A 44 -0.753 -5.526 6.456 1.00 0.00 O ATOM 314 CB GLU A 44 -0.298 -4.304 9.673 1.00 0.00 C ATOM 315 CG GLU A 44 0.882 -3.696 8.895 1.00 0.00 C ATOM 316 CD GLU A 44 0.685 -2.183 8.767 1.00 0.00 C ATOM 317 OE1 GLU A 44 -0.452 -1.762 8.636 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.675 -1.472 8.803 1.00 0.00 O ATOM 0 H GLU A 44 -1.360 -7.218 9.383 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.212 -5.071 9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.898 -3.503 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.083 -4.900 10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.819 -3.909 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.951 -4.149 7.906 1.00 0.00 H new ATOM 319 N ARG A 45 -1.550 -3.571 7.004 1.00 0.00 N ATOM 320 CA ARG A 45 -1.530 -3.165 5.575 1.00 0.00 C ATOM 321 C ARG A 45 -0.152 -3.385 4.983 1.00 0.00 C ATOM 322 O ARG A 45 0.730 -3.958 5.591 1.00 0.00 O ATOM 323 CB ARG A 45 -1.869 -1.692 5.410 1.00 0.00 C ATOM 324 CG ARG A 45 -3.307 -1.557 4.921 1.00 0.00 C ATOM 325 CD ARG A 45 -3.922 -0.275 5.477 1.00 0.00 C ATOM 326 NE ARG A 45 -4.172 -0.442 6.937 1.00 0.00 N ATOM 327 CZ ARG A 45 -4.560 0.576 7.654 1.00 0.00 C ATOM 328 NH1 ARG A 45 -3.919 1.710 7.580 1.00 0.00 N ATOM 329 NH2 ARG A 45 -5.590 0.460 8.448 1.00 0.00 N ATOM 0 H ARG A 45 -1.893 -2.871 7.662 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.275 -3.774 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.745 -1.170 6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.186 -1.227 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.331 -1.540 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.892 -2.420 5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.252 0.568 5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.855 -0.051 4.960 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.039 -1.353 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.114 1.801 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.223 2.505 8.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.091 -0.427 8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.894 1.256 9.009 1.00 0.00 H new ATOM 330 N GLU A 46 0.029 -2.918 3.787 1.00 0.00 N ATOM 331 CA GLU A 46 1.326 -3.068 3.110 1.00 0.00 C ATOM 332 C GLU A 46 1.239 -2.358 1.767 1.00 0.00 C ATOM 333 O GLU A 46 0.675 -2.871 0.823 1.00 0.00 O ATOM 334 CB GLU A 46 1.605 -4.550 2.901 1.00 0.00 C ATOM 335 CG GLU A 46 3.033 -4.735 2.386 1.00 0.00 C ATOM 336 CD GLU A 46 3.962 -5.054 3.559 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.473 -5.557 4.557 1.00 0.00 O ATOM 338 OE2 GLU A 46 5.148 -4.790 3.439 1.00 0.00 O ATOM 0 H GLU A 46 -0.684 -2.430 3.244 1.00 0.00 H new ATOM 0 HA GLU A 46 2.131 -2.637 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.472 -5.091 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.894 -4.967 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.065 -5.541 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.368 -3.830 1.879 1.00 0.00 H new ATOM 339 N ILE A 47 1.779 -1.175 1.683 1.00 0.00 N ATOM 340 CA ILE A 47 1.728 -0.416 0.404 1.00 0.00 C ATOM 341 C ILE A 47 2.788 -0.968 -0.534 1.00 0.00 C ATOM 342 O ILE A 47 3.584 -1.810 -0.171 1.00 0.00 O ATOM 343 CB ILE A 47 2.040 1.066 0.674 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.537 1.937 -0.503 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.554 1.240 0.861 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.691 2.384 -1.428 1.00 0.00 C ATOM 0 H ILE A 47 2.256 -0.699 2.449 1.00 0.00 H new ATOM 0 HA ILE A 47 0.737 -0.511 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 47 1.529 1.387 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.805 1.375 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.026 2.816 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.779 2.289 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.888 0.637 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.072 0.917 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.292 2.993 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.410 2.969 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.186 1.506 -1.843 1.00 0.00 H new ATOM 347 N VAL A 48 2.831 -0.465 -1.722 1.00 0.00 N ATOM 348 CA VAL A 48 3.870 -0.907 -2.663 1.00 0.00 C ATOM 349 C VAL A 48 4.405 0.321 -3.387 1.00 0.00 C ATOM 350 O VAL A 48 5.583 0.426 -3.640 1.00 0.00 O ATOM 351 CB VAL A 48 3.313 -1.913 -3.656 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.417 -2.336 -4.620 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.830 -3.143 -2.907 1.00 0.00 C ATOM 0 H VAL A 48 2.186 0.238 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 48 4.674 -1.403 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 48 2.488 -1.459 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.020 -3.058 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.787 -1.462 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.234 -2.791 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.430 -3.867 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.663 -3.589 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.050 -2.857 -2.202 1.00 0.00 H new ATOM 354 N SER A 49 3.585 1.287 -3.710 1.00 0.00 N ATOM 355 CA SER A 49 4.195 2.463 -4.389 1.00 0.00 C ATOM 356 C SER A 49 3.185 3.556 -4.717 1.00 0.00 C ATOM 357 O SER A 49 1.984 3.356 -4.741 1.00 0.00 O ATOM 358 CB SER A 49 4.874 1.999 -5.676 1.00 0.00 C ATOM 359 OG SER A 49 6.220 2.456 -5.695 1.00 0.00 O ATOM 0 H SER A 49 2.579 1.316 -3.545 1.00 0.00 H new ATOM 0 HA SER A 49 4.917 2.896 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.847 0.911 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.336 2.384 -6.542 1.00 0.00 H new ATOM 0 HG SER A 49 6.458 2.809 -4.812 1.00 0.00 H new ATOM 360 N ALA A 50 3.704 4.728 -4.977 1.00 0.00 N ATOM 361 CA ALA A 50 2.836 5.892 -5.324 1.00 0.00 C ATOM 362 C ALA A 50 3.641 6.926 -6.117 1.00 0.00 C ATOM 363 O ALA A 50 4.816 6.756 -6.369 1.00 0.00 O ATOM 364 CB ALA A 50 2.315 6.541 -4.047 1.00 0.00 C ATOM 0 H ALA A 50 4.704 4.930 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 50 1.999 5.541 -5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.682 7.390 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.735 5.813 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.156 6.884 -3.444 1.00 0.00 H new ATOM 365 N VAL A 51 3.005 7.997 -6.513 1.00 0.00 N ATOM 366 CA VAL A 51 3.713 9.050 -7.295 1.00 0.00 C ATOM 367 C VAL A 51 2.857 10.321 -7.304 1.00 0.00 C ATOM 368 O VAL A 51 1.943 10.458 -8.091 1.00 0.00 O ATOM 369 CB VAL A 51 3.915 8.557 -8.729 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.574 8.094 -9.299 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.466 9.694 -9.589 1.00 0.00 C ATOM 0 H VAL A 51 2.020 8.187 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 51 4.682 9.264 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 51 4.621 7.726 -8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.715 7.742 -10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.179 7.283 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.870 8.926 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.609 9.341 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.761 10.525 -9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.421 10.027 -9.183 1.00 0.00 H new ATOM 372 N SER A 52 3.132 11.245 -6.422 1.00 0.00 N ATOM 373 CA SER A 52 2.311 12.489 -6.378 1.00 0.00 C ATOM 374 C SER A 52 3.203 13.735 -6.439 1.00 0.00 C ATOM 375 O SER A 52 4.411 13.646 -6.516 1.00 0.00 O ATOM 376 CB SER A 52 1.494 12.497 -5.085 1.00 0.00 C ATOM 377 OG SER A 52 0.640 13.632 -5.069 1.00 0.00 O ATOM 0 H SER A 52 3.884 11.193 -5.735 1.00 0.00 H new ATOM 0 HA SER A 52 1.646 12.507 -7.241 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.904 11.584 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.160 12.518 -4.222 1.00 0.00 H new ATOM 0 HG SER A 52 0.248 13.734 -4.177 1.00 0.00 H new ATOM 378 N GLY A 53 2.603 14.898 -6.415 1.00 0.00 N ATOM 379 CA GLY A 53 3.394 16.163 -6.474 1.00 0.00 C ATOM 380 C GLY A 53 4.269 16.168 -7.728 1.00 0.00 C ATOM 381 O GLY A 53 5.460 15.946 -7.662 1.00 0.00 O ATOM 0 H GLY A 53 1.593 15.025 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.723 17.022 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.017 16.255 -5.584 1.00 0.00 H new ATOM 382 N SER A 54 3.690 16.414 -8.874 1.00 0.00 N ATOM 383 CA SER A 54 4.499 16.420 -10.125 1.00 0.00 C ATOM 384 C SER A 54 5.230 15.085 -10.245 1.00 0.00 C ATOM 385 O SER A 54 6.198 14.953 -10.969 1.00 0.00 O ATOM 386 CB SER A 54 5.521 17.556 -10.070 1.00 0.00 C ATOM 387 OG SER A 54 4.844 18.791 -9.876 1.00 0.00 O ATOM 0 H SER A 54 2.696 16.610 -8.996 1.00 0.00 H new ATOM 0 HA SER A 54 3.847 16.566 -10.986 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.228 17.385 -9.258 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.098 17.586 -10.994 1.00 0.00 H new ATOM 0 HG SER A 54 5.498 19.520 -9.839 1.00 0.00 H new ATOM 388 N GLY A 55 4.773 14.094 -9.532 1.00 0.00 N ATOM 389 CA GLY A 55 5.435 12.765 -9.589 1.00 0.00 C ATOM 390 C GLY A 55 6.541 12.703 -8.535 1.00 0.00 C ATOM 391 O GLY A 55 6.874 11.643 -8.042 1.00 0.00 O ATOM 0 H GLY A 55 3.966 14.149 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.705 11.975 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.853 12.597 -10.581 1.00 0.00 H new ATOM 392 N GLY A 56 7.109 13.832 -8.185 1.00 0.00 N ATOM 393 CA GLY A 56 8.190 13.839 -7.155 1.00 0.00 C ATOM 394 C GLY A 56 7.813 12.867 -6.041 1.00 0.00 C ATOM 395 O GLY A 56 8.466 11.863 -5.835 1.00 0.00 O ATOM 0 H GLY A 56 6.870 14.746 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.140 13.549 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.321 14.843 -6.752 1.00 0.00 H new ATOM 396 N SER A 57 6.747 13.139 -5.339 1.00 0.00 N ATOM 397 CA SER A 57 6.318 12.202 -4.266 1.00 0.00 C ATOM 398 C SER A 57 6.364 10.785 -4.836 1.00 0.00 C ATOM 399 O SER A 57 6.119 10.577 -6.006 1.00 0.00 O ATOM 400 CB SER A 57 4.890 12.539 -3.835 1.00 0.00 C ATOM 401 OG SER A 57 4.898 12.994 -2.489 1.00 0.00 O ATOM 0 H SER A 57 6.159 13.964 -5.462 1.00 0.00 H new ATOM 0 HA SER A 57 6.974 12.284 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.473 13.306 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.253 11.660 -3.929 1.00 0.00 H new ATOM 0 HG SER A 57 3.984 13.212 -2.212 1.00 0.00 H new ATOM 402 N THR A 58 6.676 9.808 -4.033 1.00 0.00 N ATOM 403 CA THR A 58 6.739 8.417 -4.558 1.00 0.00 C ATOM 404 C THR A 58 6.780 7.448 -3.385 1.00 0.00 C ATOM 405 O THR A 58 7.504 7.641 -2.428 1.00 0.00 O ATOM 406 CB THR A 58 7.997 8.238 -5.413 1.00 0.00 C ATOM 407 OG1 THR A 58 9.076 8.947 -4.822 1.00 0.00 O ATOM 408 CG2 THR A 58 7.743 8.772 -6.824 1.00 0.00 C ATOM 0 H THR A 58 6.889 9.911 -3.041 1.00 0.00 H new ATOM 0 HA THR A 58 5.861 8.220 -5.173 1.00 0.00 H new ATOM 0 HB THR A 58 8.247 7.179 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.014 9.896 -5.060 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.640 8.643 -7.429 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.918 8.223 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.490 9.831 -6.772 1.00 0.00 H new ATOM 409 N TYR A 59 5.995 6.418 -3.442 1.00 0.00 N ATOM 410 CA TYR A 59 5.975 5.446 -2.322 1.00 0.00 C ATOM 411 C TYR A 59 6.619 4.130 -2.733 1.00 0.00 C ATOM 412 O TYR A 59 6.725 3.822 -3.904 1.00 0.00 O ATOM 413 CB TYR A 59 4.546 5.192 -1.915 1.00 0.00 C ATOM 414 CG TYR A 59 4.397 5.552 -0.471 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.260 6.892 -0.094 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.399 4.546 0.489 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.119 7.218 1.261 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.261 4.863 1.838 1.00 0.00 C ATOM 419 CZ TYR A 59 4.119 6.202 2.229 1.00 0.00 C ATOM 420 OH TYR A 59 3.978 6.523 3.564 1.00 0.00 O ATOM 0 H TYR A 59 5.365 6.205 -4.216 1.00 0.00 H new ATOM 0 HA TYR A 59 6.540 5.863 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.866 5.785 -2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.286 4.145 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.263 7.670 -0.843 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.508 3.515 0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.010 8.250 1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.263 4.079 2.581 1.00 0.00 H new ATOM 0 HH TYR A 59 3.998 5.704 4.101 1.00 0.00 H new ATOM 421 N TYR A 60 7.075 3.374 -1.758 1.00 0.00 N ATOM 422 CA TYR A 60 7.758 2.075 -2.035 1.00 0.00 C ATOM 423 C TYR A 60 7.495 1.078 -0.902 1.00 0.00 C ATOM 424 O TYR A 60 8.404 0.692 -0.194 1.00 0.00 O ATOM 425 CB TYR A 60 9.267 2.305 -2.091 1.00 0.00 C ATOM 426 CG TYR A 60 9.599 3.228 -3.223 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.247 4.574 -3.143 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.266 2.737 -4.342 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.562 5.440 -4.192 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.584 3.594 -5.396 1.00 0.00 C ATOM 431 CZ TYR A 60 10.233 4.951 -5.323 1.00 0.00 C ATOM 432 OH TYR A 60 10.545 5.802 -6.363 1.00 0.00 O ATOM 0 H TYR A 60 6.999 3.610 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 60 7.377 1.683 -2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.614 2.730 -1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.784 1.354 -2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.731 4.947 -2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.537 1.693 -4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.290 6.483 -4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.099 3.214 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 60 11.009 5.302 -7.067 1.00 0.00 H new ATOM 433 N ALA A 61 6.285 0.644 -0.720 1.00 0.00 N ATOM 434 CA ALA A 61 6.025 -0.338 0.374 1.00 0.00 C ATOM 435 C ALA A 61 6.643 0.162 1.681 1.00 0.00 C ATOM 436 O ALA A 61 7.089 1.286 1.783 1.00 0.00 O ATOM 437 CB ALA A 61 6.660 -1.681 0.015 1.00 0.00 C ATOM 0 H ALA A 61 5.471 0.919 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 61 4.948 -0.453 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.470 -2.398 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.228 -2.051 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.735 -1.553 -0.110 1.00 0.00 H new ATOM 438 N ASP A 62 6.683 -0.682 2.675 1.00 0.00 N ATOM 439 CA ASP A 62 7.283 -0.286 3.978 1.00 0.00 C ATOM 440 C ASP A 62 8.494 -1.182 4.256 1.00 0.00 C ATOM 441 O ASP A 62 9.254 -0.951 5.176 1.00 0.00 O ATOM 442 CB ASP A 62 6.248 -0.462 5.092 1.00 0.00 C ATOM 443 CG ASP A 62 6.239 0.779 5.986 1.00 0.00 C ATOM 444 OD1 ASP A 62 6.249 1.873 5.447 1.00 0.00 O ATOM 445 OD2 ASP A 62 6.220 0.615 7.195 1.00 0.00 O ATOM 0 H ASP A 62 6.323 -1.636 2.639 1.00 0.00 H new ATOM 0 HA ASP A 62 7.595 0.758 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.259 -0.619 4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.483 -1.347 5.684 1.00 0.00 H new ATOM 446 N SER A 63 8.678 -2.202 3.459 1.00 0.00 N ATOM 447 CA SER A 63 9.833 -3.120 3.664 1.00 0.00 C ATOM 448 C SER A 63 10.684 -3.162 2.397 1.00 0.00 C ATOM 449 O SER A 63 11.783 -3.680 2.393 1.00 0.00 O ATOM 450 CB SER A 63 9.320 -4.529 3.954 1.00 0.00 C ATOM 451 OG SER A 63 9.026 -4.662 5.341 1.00 0.00 O ATOM 0 H SER A 63 8.074 -2.438 2.672 1.00 0.00 H new ATOM 0 HA SER A 63 10.430 -2.760 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.426 -4.729 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.068 -5.265 3.660 1.00 0.00 H new ATOM 0 HG SER A 63 8.696 -5.567 5.520 1.00 0.00 H new ATOM 452 N VAL A 64 10.186 -2.629 1.316 1.00 0.00 N ATOM 453 CA VAL A 64 10.974 -2.654 0.053 1.00 0.00 C ATOM 454 C VAL A 64 11.436 -1.236 -0.280 1.00 0.00 C ATOM 455 O VAL A 64 11.724 -0.915 -1.417 1.00 0.00 O ATOM 456 CB VAL A 64 10.121 -3.204 -1.096 1.00 0.00 C ATOM 457 CG1 VAL A 64 11.004 -4.071 -1.998 1.00 0.00 C ATOM 458 CG2 VAL A 64 8.975 -4.062 -0.542 1.00 0.00 C ATOM 0 H VAL A 64 9.273 -2.180 1.253 1.00 0.00 H new ATOM 0 HA VAL A 64 11.840 -3.302 0.185 1.00 0.00 H new ATOM 0 HB VAL A 64 9.702 -2.372 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.407 -4.468 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.818 -3.467 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.417 -4.896 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.377 -4.447 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.387 -4.896 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.347 -3.454 0.109 1.00 0.00 H new ATOM 459 N LYS A 65 11.511 -0.386 0.705 1.00 0.00 N ATOM 460 CA LYS A 65 11.957 1.012 0.452 1.00 0.00 C ATOM 461 C LYS A 65 13.191 0.996 -0.453 1.00 0.00 C ATOM 462 O LYS A 65 13.944 0.043 -0.473 1.00 0.00 O ATOM 463 CB LYS A 65 12.307 1.688 1.781 1.00 0.00 C ATOM 464 CG LYS A 65 13.454 0.932 2.455 1.00 0.00 C ATOM 465 CD LYS A 65 12.957 0.318 3.766 1.00 0.00 C ATOM 466 CE LYS A 65 13.004 -1.206 3.662 1.00 0.00 C ATOM 467 NZ LYS A 65 14.350 -1.630 3.186 1.00 0.00 N ATOM 0 H LYS A 65 11.282 -0.599 1.676 1.00 0.00 H new ATOM 0 HA LYS A 65 11.155 1.566 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.594 2.725 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.434 1.703 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.828 0.151 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.286 1.609 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.576 0.656 4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.939 0.648 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.792 -1.654 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.236 -1.558 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.619 -2.519 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.325 -1.773 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.047 -0.894 3.416 1.00 0.00 H new ATOM 468 N GLY A 66 13.404 2.042 -1.202 1.00 0.00 N ATOM 469 CA GLY A 66 14.590 2.082 -2.104 1.00 0.00 C ATOM 470 C GLY A 66 14.724 0.746 -2.838 1.00 0.00 C ATOM 471 O GLY A 66 15.805 0.345 -3.220 1.00 0.00 O ATOM 0 H GLY A 66 12.809 2.870 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.485 2.894 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.492 2.283 -1.526 1.00 0.00 H new ATOM 472 N ARG A 67 13.636 0.053 -3.036 1.00 0.00 N ATOM 473 CA ARG A 67 13.709 -1.256 -3.746 1.00 0.00 C ATOM 474 C ARG A 67 12.349 -1.587 -4.368 1.00 0.00 C ATOM 475 O ARG A 67 12.071 -2.722 -4.697 1.00 0.00 O ATOM 476 CB ARG A 67 14.095 -2.352 -2.753 1.00 0.00 C ATOM 477 CG ARG A 67 15.508 -2.848 -3.068 1.00 0.00 C ATOM 478 CD ARG A 67 15.957 -3.831 -1.985 1.00 0.00 C ATOM 479 NE ARG A 67 17.394 -3.601 -1.672 1.00 0.00 N ATOM 480 CZ ARG A 67 18.248 -3.399 -2.639 1.00 0.00 C ATOM 481 NH1 ARG A 67 18.262 -4.194 -3.673 1.00 0.00 N ATOM 482 NH2 ARG A 67 19.087 -2.404 -2.569 1.00 0.00 N ATOM 0 H ARG A 67 12.702 0.335 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 67 14.459 -1.196 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.051 -1.967 -1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.386 -3.178 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.526 -3.333 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.198 -2.006 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.353 -3.701 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.807 -4.856 -2.324 1.00 0.00 H new ATOM 0 HE ARG A 67 17.711 -3.601 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.606 -4.973 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.929 -4.036 -4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.076 -1.784 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.754 -2.246 -3.324 1.00 0.00 H new ATOM 483 N PHE A 68 11.509 -0.603 -4.543 1.00 0.00 N ATOM 484 CA PHE A 68 10.170 -0.849 -5.153 1.00 0.00 C ATOM 485 C PHE A 68 10.006 0.135 -6.317 1.00 0.00 C ATOM 486 O PHE A 68 10.714 1.119 -6.393 1.00 0.00 O ATOM 487 CB PHE A 68 9.082 -0.596 -4.103 1.00 0.00 C ATOM 488 CG PHE A 68 8.465 -1.897 -3.630 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.121 -3.119 -3.820 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.219 -1.875 -2.994 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.528 -4.307 -3.378 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.629 -3.060 -2.551 1.00 0.00 C ATOM 493 CZ PHE A 68 7.280 -4.276 -2.743 1.00 0.00 C ATOM 0 H PHE A 68 11.694 0.367 -4.288 1.00 0.00 H new ATOM 0 HA PHE A 68 10.084 -1.876 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.509 -0.063 -3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.308 0.045 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.084 -3.145 -4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.710 -0.934 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.034 -5.250 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.668 -3.034 -2.059 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.823 -5.194 -2.403 1.00 0.00 H new ATOM 494 N THR A 69 9.112 -0.106 -7.239 1.00 0.00 N ATOM 495 CA THR A 69 8.990 0.859 -8.372 1.00 0.00 C ATOM 496 C THR A 69 7.527 1.126 -8.745 1.00 0.00 C ATOM 497 O THR A 69 6.754 0.217 -8.985 1.00 0.00 O ATOM 498 CB THR A 69 9.716 0.294 -9.590 1.00 0.00 C ATOM 499 OG1 THR A 69 9.832 1.303 -10.583 1.00 0.00 O ATOM 500 CG2 THR A 69 8.918 -0.883 -10.142 1.00 0.00 C ATOM 0 H THR A 69 8.478 -0.904 -7.260 1.00 0.00 H new ATOM 0 HA THR A 69 9.435 1.803 -8.056 1.00 0.00 H new ATOM 0 HB THR A 69 10.713 -0.042 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.300 0.941 -11.364 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.430 -1.293 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.830 -1.654 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.923 -0.544 -10.432 1.00 0.00 H new ATOM 501 N ILE A 70 7.168 2.383 -8.835 1.00 0.00 N ATOM 502 CA ILE A 70 5.782 2.768 -9.235 1.00 0.00 C ATOM 503 C ILE A 70 5.726 2.817 -10.763 1.00 0.00 C ATOM 504 O ILE A 70 5.724 3.878 -11.355 1.00 0.00 O ATOM 505 CB ILE A 70 5.465 4.150 -8.680 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.084 4.593 -9.167 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.516 5.130 -9.178 1.00 0.00 C ATOM 508 CD1 ILE A 70 3.071 3.472 -8.927 1.00 0.00 C ATOM 0 H ILE A 70 7.788 3.170 -8.645 1.00 0.00 H new ATOM 0 HA ILE A 70 5.061 2.048 -8.848 1.00 0.00 H new ATOM 0 HB ILE A 70 5.469 4.122 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.774 5.496 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.123 4.840 -10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.300 6.124 -8.787 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.501 4.812 -8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.501 5.157 -10.268 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.088 3.789 -9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.379 2.580 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.024 3.246 -7.862 1.00 0.00 H new ATOM 509 N SER A 71 5.689 1.684 -11.415 1.00 0.00 N ATOM 510 CA SER A 71 5.644 1.693 -12.901 1.00 0.00 C ATOM 511 C SER A 71 4.256 2.147 -13.335 1.00 0.00 C ATOM 512 O SER A 71 3.300 2.003 -12.603 1.00 0.00 O ATOM 513 CB SER A 71 5.921 0.283 -13.430 1.00 0.00 C ATOM 514 OG SER A 71 7.252 0.219 -13.925 1.00 0.00 O ATOM 0 H SER A 71 5.688 0.760 -10.983 1.00 0.00 H new ATOM 0 HA SER A 71 6.399 2.371 -13.299 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.781 -0.450 -12.635 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.214 0.034 -14.222 1.00 0.00 H new ATOM 0 HG SER A 71 7.432 -0.683 -14.263 1.00 0.00 H new ATOM 515 N ARG A 72 4.110 2.696 -14.507 1.00 0.00 N ATOM 516 CA ARG A 72 2.748 3.122 -14.899 1.00 0.00 C ATOM 517 C ARG A 72 2.462 2.792 -16.364 1.00 0.00 C ATOM 518 O ARG A 72 3.331 2.386 -17.109 1.00 0.00 O ATOM 519 CB ARG A 72 2.550 4.619 -14.655 1.00 0.00 C ATOM 520 CG ARG A 72 3.072 5.002 -13.271 1.00 0.00 C ATOM 521 CD ARG A 72 2.062 5.931 -12.594 1.00 0.00 C ATOM 522 NE ARG A 72 2.108 7.276 -13.236 1.00 0.00 N ATOM 523 CZ ARG A 72 3.257 7.831 -13.508 1.00 0.00 C ATOM 524 NH1 ARG A 72 3.861 8.557 -12.608 1.00 0.00 N ATOM 525 NH2 ARG A 72 3.798 7.666 -14.684 1.00 0.00 N ATOM 0 H ARG A 72 4.850 2.863 -15.188 1.00 0.00 H new ATOM 0 HA ARG A 72 2.045 2.569 -14.277 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.073 5.192 -15.420 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.493 4.871 -14.735 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.225 4.108 -12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.039 5.497 -13.358 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.058 5.513 -12.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.288 6.017 -11.531 1.00 0.00 H new ATOM 0 HE ARG A 72 1.241 7.762 -13.463 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.435 8.691 -11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.759 8.991 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.323 7.104 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.696 8.100 -14.898 1.00 0.00 H new ATOM 526 N ASP A 73 1.229 2.959 -16.773 1.00 0.00 N ATOM 527 CA ASP A 73 0.846 2.655 -18.177 1.00 0.00 C ATOM 528 C ASP A 73 -0.146 3.728 -18.660 1.00 0.00 C ATOM 529 O ASP A 73 -1.350 3.539 -18.664 1.00 0.00 O ATOM 530 CB ASP A 73 0.216 1.259 -18.221 1.00 0.00 C ATOM 531 CG ASP A 73 0.713 0.507 -19.455 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.668 0.967 -20.059 1.00 0.00 O ATOM 533 OD2 ASP A 73 0.133 -0.518 -19.774 1.00 0.00 O ATOM 0 H ASP A 73 0.467 3.297 -16.185 1.00 0.00 H new ATOM 0 HA ASP A 73 1.716 2.665 -18.833 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.473 0.705 -17.318 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.871 1.341 -18.246 1.00 0.00 H new ATOM 534 N ASN A 74 0.387 4.864 -19.037 1.00 0.00 N ATOM 535 CA ASN A 74 -0.430 6.027 -19.509 1.00 0.00 C ATOM 536 C ASN A 74 -1.552 5.610 -20.469 1.00 0.00 C ATOM 537 O ASN A 74 -2.709 5.554 -20.105 1.00 0.00 O ATOM 538 CB ASN A 74 0.498 6.978 -20.255 1.00 0.00 C ATOM 539 CG ASN A 74 1.515 7.574 -19.280 1.00 0.00 C ATOM 540 OD1 ASN A 74 1.513 7.250 -18.109 1.00 0.00 O ATOM 541 ND2 ASN A 74 2.393 8.435 -19.716 1.00 0.00 N ATOM 0 H ASN A 74 1.392 5.039 -19.037 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.892 6.490 -18.637 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.014 6.446 -21.054 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.081 7.774 -20.724 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.077 8.835 -19.074 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.395 8.708 -20.699 1.00 0.00 H new ATOM 542 N SER A 75 -1.223 5.363 -21.711 1.00 0.00 N ATOM 543 CA SER A 75 -2.274 4.998 -22.710 1.00 0.00 C ATOM 544 C SER A 75 -2.667 3.525 -22.572 1.00 0.00 C ATOM 545 O SER A 75 -2.927 2.852 -23.548 1.00 0.00 O ATOM 546 CB SER A 75 -1.736 5.243 -24.119 1.00 0.00 C ATOM 547 OG SER A 75 -0.997 6.457 -24.135 1.00 0.00 O ATOM 0 H SER A 75 -0.272 5.398 -22.077 1.00 0.00 H new ATOM 0 HA SER A 75 -3.155 5.614 -22.529 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.100 4.413 -24.427 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.560 5.296 -24.831 1.00 0.00 H new ATOM 0 HG SER A 75 -0.649 6.616 -25.037 1.00 0.00 H new ATOM 548 N LYS A 76 -2.717 3.017 -21.374 1.00 0.00 N ATOM 549 CA LYS A 76 -3.097 1.597 -21.186 1.00 0.00 C ATOM 550 C LYS A 76 -4.193 1.506 -20.121 1.00 0.00 C ATOM 551 O LYS A 76 -4.680 0.441 -19.805 1.00 0.00 O ATOM 552 CB LYS A 76 -1.867 0.816 -20.742 1.00 0.00 C ATOM 553 CG LYS A 76 -0.860 0.762 -21.896 1.00 0.00 C ATOM 554 CD LYS A 76 0.035 2.010 -21.878 1.00 0.00 C ATOM 555 CE LYS A 76 1.347 1.691 -22.598 1.00 0.00 C ATOM 556 NZ LYS A 76 1.086 1.538 -24.057 1.00 0.00 N ATOM 0 H LYS A 76 -2.510 3.528 -20.516 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.474 1.178 -22.119 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.415 1.291 -19.871 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.151 -0.193 -20.444 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.247 -0.135 -21.812 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.389 0.698 -22.847 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.470 2.843 -22.367 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.234 2.316 -20.851 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.071 2.488 -22.428 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.781 0.775 -22.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.990 1.456 -24.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.519 0.682 -24.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.567 2.369 -24.406 1.00 0.00 H new ATOM 557 N ASN A 77 -4.595 2.627 -19.575 1.00 0.00 N ATOM 558 CA ASN A 77 -5.660 2.626 -18.554 1.00 0.00 C ATOM 559 C ASN A 77 -5.139 2.067 -17.233 1.00 0.00 C ATOM 560 O ASN A 77 -5.898 1.549 -16.448 1.00 0.00 O ATOM 561 CB ASN A 77 -6.846 1.789 -19.041 1.00 0.00 C ATOM 562 CG ASN A 77 -7.191 2.179 -20.481 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.317 2.319 -21.313 1.00 0.00 O ATOM 564 ND2 ASN A 77 -8.439 2.363 -20.813 1.00 0.00 N ATOM 0 H ASN A 77 -4.220 3.548 -19.803 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.985 3.654 -18.391 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.601 0.728 -18.989 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.708 1.949 -18.393 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.679 2.624 -21.769 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.175 2.246 -20.116 1.00 0.00 H new ATOM 565 N THR A 78 -3.867 2.179 -16.943 1.00 0.00 N ATOM 566 CA THR A 78 -3.411 1.661 -15.628 1.00 0.00 C ATOM 567 C THR A 78 -1.916 1.879 -15.429 1.00 0.00 C ATOM 568 O THR A 78 -1.188 2.170 -16.348 1.00 0.00 O ATOM 569 CB THR A 78 -3.714 0.171 -15.572 1.00 0.00 C ATOM 570 OG1 THR A 78 -2.979 -0.427 -14.513 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.319 -0.464 -16.904 1.00 0.00 C ATOM 0 H THR A 78 -3.150 2.592 -17.539 1.00 0.00 H new ATOM 0 HA THR A 78 -3.934 2.198 -14.837 1.00 0.00 H new ATOM 0 HB THR A 78 -4.778 0.015 -15.394 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.254 -0.031 -13.660 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.532 -1.533 -16.875 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.889 -0.002 -17.710 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.254 -0.311 -17.078 1.00 0.00 H new ATOM 572 N LEU A 79 -1.466 1.716 -14.216 1.00 0.00 N ATOM 573 CA LEU A 79 -0.016 1.876 -13.912 1.00 0.00 C ATOM 574 C LEU A 79 0.430 0.629 -13.140 1.00 0.00 C ATOM 575 O LEU A 79 -0.347 0.046 -12.434 1.00 0.00 O ATOM 576 CB LEU A 79 0.217 3.141 -13.078 1.00 0.00 C ATOM 577 CG LEU A 79 -0.705 3.128 -11.870 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.219 4.151 -10.845 1.00 0.00 C ATOM 579 CD2 LEU A 79 -2.126 3.476 -12.312 1.00 0.00 C ATOM 0 H LEU A 79 -2.048 1.476 -13.413 1.00 0.00 H new ATOM 0 HA LEU A 79 0.561 1.980 -14.831 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.257 3.190 -12.755 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.029 4.028 -13.683 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.700 2.136 -11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.881 4.141 -9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.794 3.898 -10.531 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.223 5.145 -11.293 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.789 3.467 -11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.134 4.467 -12.765 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.471 2.742 -13.040 1.00 0.00 H new ATOM 580 N TYR A 80 1.641 0.168 -13.301 1.00 0.00 N ATOM 581 CA TYR A 80 2.024 -1.101 -12.605 1.00 0.00 C ATOM 582 C TYR A 80 3.006 -0.883 -11.455 1.00 0.00 C ATOM 583 O TYR A 80 3.497 0.199 -11.220 1.00 0.00 O ATOM 584 CB TYR A 80 2.644 -2.046 -13.634 1.00 0.00 C ATOM 585 CG TYR A 80 1.578 -2.487 -14.611 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.832 -1.536 -15.325 1.00 0.00 C ATOM 587 CD2 TYR A 80 1.332 -3.852 -14.802 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.155 -1.952 -16.225 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.343 -4.267 -15.704 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.400 -3.317 -16.415 1.00 0.00 C ATOM 591 OH TYR A 80 -1.372 -3.726 -17.304 1.00 0.00 O ATOM 0 H TYR A 80 2.369 0.601 -13.870 1.00 0.00 H new ATOM 0 HA TYR A 80 1.121 -1.525 -12.166 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.454 -1.545 -14.163 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.077 -2.913 -13.135 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.020 -0.483 -15.179 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.905 -4.585 -14.254 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.728 -1.219 -16.774 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.154 -5.320 -15.851 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.413 -4.705 -17.317 1.00 0.00 H new ATOM 592 N LEU A 81 3.285 -1.942 -10.736 1.00 0.00 N ATOM 593 CA LEU A 81 4.227 -1.868 -9.583 1.00 0.00 C ATOM 594 C LEU A 81 5.170 -3.056 -9.624 1.00 0.00 C ATOM 595 O LEU A 81 4.762 -4.179 -9.386 1.00 0.00 O ATOM 596 CB LEU A 81 3.471 -1.996 -8.256 1.00 0.00 C ATOM 597 CG LEU A 81 2.847 -0.678 -7.824 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.623 -0.701 -6.314 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.758 0.491 -8.152 1.00 0.00 C ATOM 0 H LEU A 81 2.892 -2.868 -10.904 1.00 0.00 H new ATOM 0 HA LEU A 81 4.751 -0.915 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.691 -2.751 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.155 -2.344 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 81 1.904 -0.556 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.176 0.241 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.955 -1.523 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.578 -0.837 -5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.287 1.420 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.708 0.369 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.934 0.525 -9.227 1.00 0.00 H new ATOM 600 N GLN A 82 6.424 -2.836 -9.844 1.00 0.00 N ATOM 601 CA GLN A 82 7.353 -3.982 -9.793 1.00 0.00 C ATOM 602 C GLN A 82 7.785 -4.062 -8.330 1.00 0.00 C ATOM 603 O GLN A 82 8.562 -3.246 -7.862 1.00 0.00 O ATOM 604 CB GLN A 82 8.568 -3.759 -10.702 1.00 0.00 C ATOM 605 CG GLN A 82 8.139 -3.047 -11.991 1.00 0.00 C ATOM 606 CD GLN A 82 7.848 -4.081 -13.082 1.00 0.00 C ATOM 607 OE1 GLN A 82 7.285 -5.213 -12.761 1.00 0.00 O flip ATOM 608 NE2 GLN A 82 8.137 -3.855 -14.240 1.00 0.00 N flip ATOM 0 H GLN A 82 6.842 -1.929 -10.054 1.00 0.00 H new ATOM 0 HA GLN A 82 6.882 -4.901 -10.142 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.317 -3.163 -10.181 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.032 -4.715 -10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.252 -2.442 -11.805 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.925 -2.368 -12.321 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.577 -2.970 -14.492 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.939 -4.550 -14.960 1.00 0.00 H new ATOM 609 N MET A 83 7.244 -4.985 -7.580 1.00 0.00 N ATOM 610 CA MET A 83 7.596 -5.040 -6.133 1.00 0.00 C ATOM 611 C MET A 83 8.151 -6.416 -5.777 1.00 0.00 C ATOM 612 O MET A 83 7.496 -7.428 -5.943 1.00 0.00 O ATOM 613 CB MET A 83 6.348 -4.741 -5.276 1.00 0.00 C ATOM 614 CG MET A 83 5.071 -4.821 -6.122 1.00 0.00 C ATOM 615 SD MET A 83 3.707 -5.376 -5.076 1.00 0.00 S ATOM 616 CE MET A 83 2.417 -4.344 -5.812 1.00 0.00 C ATOM 0 H MET A 83 6.584 -5.693 -7.901 1.00 0.00 H new ATOM 0 HA MET A 83 8.359 -4.289 -5.929 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.289 -5.453 -4.452 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.435 -3.748 -4.834 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.843 -3.846 -6.552 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.213 -5.511 -6.954 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.442 -4.800 -5.637 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.441 -3.353 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 83 2.589 -4.257 -6.885 1.00 0.00 H new ATOM 617 N ASN A 84 9.357 -6.459 -5.281 1.00 0.00 N ATOM 618 CA ASN A 84 9.964 -7.761 -4.904 1.00 0.00 C ATOM 619 C ASN A 84 10.221 -7.800 -3.394 1.00 0.00 C ATOM 620 O ASN A 84 9.627 -7.064 -2.632 1.00 0.00 O ATOM 621 CB ASN A 84 11.284 -7.939 -5.660 1.00 0.00 C ATOM 622 CG ASN A 84 12.252 -6.822 -5.263 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.110 -6.221 -4.217 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.238 -6.516 -6.061 1.00 0.00 N ATOM 0 H ASN A 84 9.948 -5.643 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 84 9.281 -8.569 -5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.719 -8.911 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.106 -7.916 -6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.889 -5.773 -5.806 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.358 -7.020 -6.940 1.00 0.00 H new ATOM 625 N SER A 85 11.098 -8.663 -2.963 1.00 0.00 N ATOM 626 CA SER A 85 11.405 -8.777 -1.508 1.00 0.00 C ATOM 627 C SER A 85 10.212 -9.401 -0.762 1.00 0.00 C ATOM 628 O SER A 85 10.238 -9.549 0.444 1.00 0.00 O ATOM 629 CB SER A 85 11.696 -7.390 -0.939 1.00 0.00 C ATOM 630 OG SER A 85 12.827 -7.464 -0.079 1.00 0.00 O ATOM 0 H SER A 85 11.621 -9.301 -3.562 1.00 0.00 H new ATOM 0 HA SER A 85 12.278 -9.417 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.885 -6.684 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.830 -7.020 -0.390 1.00 0.00 H new ATOM 0 HG SER A 85 13.018 -6.575 0.287 1.00 0.00 H new ATOM 631 N LEU A 86 9.173 -9.777 -1.464 1.00 0.00 N ATOM 632 CA LEU A 86 7.993 -10.401 -0.788 1.00 0.00 C ATOM 633 C LEU A 86 8.320 -11.860 -0.462 1.00 0.00 C ATOM 634 O LEU A 86 9.393 -12.337 -0.775 1.00 0.00 O ATOM 635 CB LEU A 86 6.782 -10.337 -1.726 1.00 0.00 C ATOM 636 CG LEU A 86 6.031 -9.012 -1.534 1.00 0.00 C ATOM 637 CD1 LEU A 86 7.022 -7.869 -1.296 1.00 0.00 C ATOM 638 CD2 LEU A 86 5.212 -8.708 -2.790 1.00 0.00 C ATOM 0 H LEU A 86 9.090 -9.679 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 86 7.763 -9.865 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.110 -10.431 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.114 -11.174 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 86 5.374 -9.102 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.475 -6.936 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.610 -8.077 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.687 -7.779 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.677 -7.768 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.879 -8.628 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.496 -9.512 -2.961 1.00 0.00 H new ATOM 639 N ARG A 87 7.423 -12.583 0.164 1.00 0.00 N ATOM 640 CA ARG A 87 7.745 -14.003 0.483 1.00 0.00 C ATOM 641 C ARG A 87 6.486 -14.835 0.731 1.00 0.00 C ATOM 642 O ARG A 87 5.489 -14.356 1.226 1.00 0.00 O ATOM 643 CB ARG A 87 8.630 -14.041 1.733 1.00 0.00 C ATOM 644 CG ARG A 87 7.771 -13.840 2.983 1.00 0.00 C ATOM 645 CD ARG A 87 8.368 -12.723 3.841 1.00 0.00 C ATOM 646 NE ARG A 87 9.839 -12.926 3.962 1.00 0.00 N ATOM 647 CZ ARG A 87 10.319 -13.632 4.949 1.00 0.00 C ATOM 648 NH1 ARG A 87 10.375 -14.933 4.853 1.00 0.00 N ATOM 649 NH2 ARG A 87 10.745 -13.038 6.029 1.00 0.00 N ATOM 0 H ARG A 87 6.503 -12.258 0.461 1.00 0.00 H new ATOM 0 HA ARG A 87 8.263 -14.434 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.154 -14.995 1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.391 -13.263 1.675 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.750 -13.587 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.722 -14.766 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.159 -11.752 3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.907 -12.722 4.829 1.00 0.00 H new ATOM 0 HE ARG A 87 10.470 -12.514 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.044 -15.397 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.750 -15.486 5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.703 -12.022 6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.120 -13.590 6.800 1.00 0.00 H new ATOM 650 N ALA A 88 6.561 -16.101 0.415 1.00 0.00 N ATOM 651 CA ALA A 88 5.417 -17.023 0.652 1.00 0.00 C ATOM 652 C ALA A 88 4.906 -16.781 2.065 1.00 0.00 C ATOM 653 O ALA A 88 3.762 -17.034 2.390 1.00 0.00 O ATOM 654 CB ALA A 88 5.908 -18.465 0.534 1.00 0.00 C ATOM 0 H ALA A 88 7.381 -16.540 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 88 4.624 -16.849 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.076 -19.148 0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.313 -18.631 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.686 -18.646 1.276 1.00 0.00 H new ATOM 655 N GLU A 89 5.775 -16.305 2.908 1.00 0.00 N ATOM 656 CA GLU A 89 5.411 -16.042 4.319 1.00 0.00 C ATOM 657 C GLU A 89 4.875 -14.614 4.478 1.00 0.00 C ATOM 658 O GLU A 89 5.061 -13.994 5.507 1.00 0.00 O ATOM 659 CB GLU A 89 6.677 -16.200 5.156 1.00 0.00 C ATOM 660 CG GLU A 89 6.375 -17.054 6.391 1.00 0.00 C ATOM 661 CD GLU A 89 6.821 -16.307 7.651 1.00 0.00 C ATOM 662 OE1 GLU A 89 7.991 -16.392 7.984 1.00 0.00 O ATOM 663 OE2 GLU A 89 5.982 -15.664 8.261 1.00 0.00 O ATOM 0 H GLU A 89 6.742 -16.084 2.670 1.00 0.00 H new ATOM 0 HA GLU A 89 4.635 -16.737 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.462 -16.668 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.048 -15.221 5.460 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.308 -17.272 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.893 -18.011 6.320 1.00 0.00 H new ATOM 664 N ASP A 90 4.210 -14.073 3.487 1.00 0.00 N ATOM 665 CA ASP A 90 3.688 -12.685 3.645 1.00 0.00 C ATOM 666 C ASP A 90 2.786 -12.300 2.467 1.00 0.00 C ATOM 667 O ASP A 90 3.015 -11.306 1.806 1.00 0.00 O ATOM 668 CB ASP A 90 4.862 -11.706 3.720 1.00 0.00 C ATOM 669 CG ASP A 90 5.218 -11.442 5.185 1.00 0.00 C ATOM 670 OD1 ASP A 90 4.428 -11.805 6.041 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.274 -10.882 5.425 1.00 0.00 O ATOM 0 H ASP A 90 4.010 -14.523 2.594 1.00 0.00 H new ATOM 0 HA ASP A 90 3.101 -12.641 4.562 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.724 -12.116 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.601 -10.771 3.225 1.00 0.00 H new ATOM 672 N THR A 91 1.746 -13.049 2.212 1.00 0.00 N ATOM 673 CA THR A 91 0.832 -12.674 1.092 1.00 0.00 C ATOM 674 C THR A 91 0.234 -11.308 1.427 1.00 0.00 C ATOM 675 O THR A 91 0.268 -10.887 2.565 1.00 0.00 O ATOM 676 CB THR A 91 -0.285 -13.712 0.963 1.00 0.00 C ATOM 677 OG1 THR A 91 0.277 -14.969 0.616 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.266 -13.271 -0.125 1.00 0.00 C ATOM 0 H THR A 91 1.491 -13.894 2.723 1.00 0.00 H new ATOM 0 HA THR A 91 1.375 -12.636 0.148 1.00 0.00 H new ATOM 0 HB THR A 91 -0.813 -13.801 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.437 -15.635 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.062 -14.010 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.696 -12.306 0.142 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.740 -13.183 -1.076 1.00 0.00 H new ATOM 679 N ALA A 92 -0.298 -10.585 0.473 1.00 0.00 N ATOM 680 CA ALA A 92 -0.849 -9.246 0.842 1.00 0.00 C ATOM 681 C ALA A 92 -2.002 -8.819 -0.069 1.00 0.00 C ATOM 682 O ALA A 92 -2.043 -9.135 -1.240 1.00 0.00 O ATOM 683 CB ALA A 92 0.269 -8.208 0.751 1.00 0.00 C ATOM 0 H ALA A 92 -0.374 -10.850 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.239 -9.316 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.123 -7.227 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.072 -8.477 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.656 -8.179 -0.267 1.00 0.00 H new ATOM 684 N VAL A 93 -2.914 -8.045 0.469 1.00 0.00 N ATOM 685 CA VAL A 93 -4.044 -7.524 -0.340 1.00 0.00 C ATOM 686 C VAL A 93 -3.761 -6.032 -0.522 1.00 0.00 C ATOM 687 O VAL A 93 -3.395 -5.365 0.423 1.00 0.00 O ATOM 688 CB VAL A 93 -5.377 -7.735 0.392 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.473 -8.062 -0.623 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.247 -8.901 1.379 1.00 0.00 C ATOM 0 H VAL A 93 -2.917 -7.753 1.446 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.127 -8.040 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.634 -6.824 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.419 -8.212 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -6.574 -7.237 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.209 -8.971 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.195 -9.047 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.986 -9.810 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.467 -8.676 2.107 1.00 0.00 H new ATOM 691 N TYR A 94 -3.861 -5.513 -1.717 1.00 0.00 N ATOM 692 CA TYR A 94 -3.508 -4.074 -1.931 1.00 0.00 C ATOM 693 C TYR A 94 -4.709 -3.262 -2.424 1.00 0.00 C ATOM 694 O TYR A 94 -5.541 -3.747 -3.160 1.00 0.00 O ATOM 695 CB TYR A 94 -2.390 -4.029 -2.976 1.00 0.00 C ATOM 696 CG TYR A 94 -1.130 -4.657 -2.420 1.00 0.00 C ATOM 697 CD1 TYR A 94 -1.021 -4.958 -1.058 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.074 -4.943 -3.274 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.141 -5.550 -0.557 1.00 0.00 C ATOM 700 CE2 TYR A 94 1.093 -5.533 -2.773 1.00 0.00 C ATOM 701 CZ TYR A 94 1.199 -5.841 -1.416 1.00 0.00 C ATOM 702 OH TYR A 94 2.349 -6.423 -0.926 1.00 0.00 O ATOM 0 H TYR A 94 -4.169 -6.016 -2.549 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.190 -3.634 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.702 -4.558 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.194 -2.997 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.839 -4.732 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.152 -4.710 -4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.219 -5.782 0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.914 -5.751 -3.440 1.00 0.00 H new ATOM 0 HH TYR A 94 2.985 -6.559 -1.659 1.00 0.00 H new ATOM 703 N TYR A 95 -4.810 -2.016 -2.020 1.00 0.00 N ATOM 704 CA TYR A 95 -5.965 -1.193 -2.473 1.00 0.00 C ATOM 705 C TYR A 95 -5.460 0.135 -3.029 1.00 0.00 C ATOM 706 O TYR A 95 -4.820 0.906 -2.344 1.00 0.00 O ATOM 707 CB TYR A 95 -6.901 -0.956 -1.294 1.00 0.00 C ATOM 708 CG TYR A 95 -7.614 -2.247 -0.992 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.881 -3.361 -0.572 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.999 -2.341 -1.165 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.534 -4.571 -0.321 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.654 -3.550 -0.907 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.922 -4.666 -0.487 1.00 0.00 C ATOM 714 OH TYR A 95 -9.567 -5.861 -0.241 1.00 0.00 O ATOM 0 H TYR A 95 -4.149 -1.543 -1.404 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.509 -1.715 -3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.338 -0.620 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.620 -0.171 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.811 -3.287 -0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.562 -1.481 -1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.969 -5.433 0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.724 -3.622 -1.032 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.527 -5.754 -0.403 1.00 0.00 H new ATOM 715 N CYS A 96 -5.723 0.386 -4.280 1.00 0.00 N ATOM 716 CA CYS A 96 -5.234 1.639 -4.915 1.00 0.00 C ATOM 717 C CYS A 96 -5.729 2.884 -4.171 1.00 0.00 C ATOM 718 O CYS A 96 -6.421 2.794 -3.176 1.00 0.00 O ATOM 719 CB CYS A 96 -5.723 1.703 -6.360 1.00 0.00 C ATOM 720 SG CYS A 96 -4.819 0.529 -7.400 1.00 0.00 S ATOM 0 H CYS A 96 -6.259 -0.228 -4.893 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.145 1.626 -4.877 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.790 1.482 -6.397 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.593 2.713 -6.748 1.00 0.00 H new ATOM 721 N ALA A 97 -5.376 4.059 -4.656 1.00 0.00 N ATOM 722 CA ALA A 97 -5.831 5.312 -3.978 1.00 0.00 C ATOM 723 C ALA A 97 -5.302 6.548 -4.713 1.00 0.00 C ATOM 724 O ALA A 97 -4.293 6.503 -5.376 1.00 0.00 O ATOM 725 CB ALA A 97 -5.293 5.324 -2.547 1.00 0.00 C ATOM 0 H ALA A 97 -4.798 4.198 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.921 5.337 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.619 6.234 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.672 4.455 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.204 5.291 -2.568 1.00 0.00 H new ATOM 726 N ARG A 98 -5.970 7.661 -4.580 1.00 0.00 N ATOM 727 CA ARG A 98 -5.477 8.910 -5.243 1.00 0.00 C ATOM 728 C ARG A 98 -4.865 9.819 -4.170 1.00 0.00 C ATOM 729 O ARG A 98 -4.841 9.477 -3.006 1.00 0.00 O ATOM 730 CB ARG A 98 -6.625 9.658 -5.924 1.00 0.00 C ATOM 731 CG ARG A 98 -6.299 9.851 -7.406 1.00 0.00 C ATOM 732 CD ARG A 98 -5.752 11.265 -7.631 1.00 0.00 C ATOM 733 NE ARG A 98 -5.819 11.621 -9.081 1.00 0.00 N ATOM 734 CZ ARG A 98 -6.721 11.081 -9.853 1.00 0.00 C ATOM 735 NH1 ARG A 98 -6.648 9.813 -10.146 1.00 0.00 N ATOM 736 NH2 ARG A 98 -7.695 11.808 -10.329 1.00 0.00 N ATOM 0 H ARG A 98 -6.832 7.763 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.739 8.642 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.554 9.098 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.778 10.625 -5.445 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.566 9.111 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.194 9.696 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.328 11.983 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.721 11.323 -7.282 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.155 12.291 -9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.887 9.246 -9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.352 9.388 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.751 12.800 -10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.400 11.384 -10.933 1.00 0.00 H new ATOM 737 N LEU A 99 -4.373 10.973 -4.538 1.00 0.00 N ATOM 738 CA LEU A 99 -3.779 11.876 -3.504 1.00 0.00 C ATOM 739 C LEU A 99 -3.402 13.234 -4.114 1.00 0.00 C ATOM 740 O LEU A 99 -2.294 13.705 -3.951 1.00 0.00 O ATOM 741 CB LEU A 99 -2.531 11.222 -2.908 1.00 0.00 C ATOM 742 CG LEU A 99 -1.744 10.499 -4.004 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.613 11.401 -5.234 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.351 10.159 -3.469 1.00 0.00 C ATOM 0 H LEU A 99 -4.355 11.327 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.521 12.040 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.903 11.979 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.817 10.516 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.268 9.586 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.052 10.880 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.605 11.650 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.088 12.316 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.220 9.643 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.165 11.077 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.444 9.514 -2.595 1.00 0.00 H new ATOM 745 N LYS A 100 -4.313 13.879 -4.796 1.00 0.00 N ATOM 746 CA LYS A 100 -3.992 15.215 -5.387 1.00 0.00 C ATOM 747 C LYS A 100 -5.074 16.217 -4.989 1.00 0.00 C ATOM 748 O LYS A 100 -5.259 17.237 -5.623 1.00 0.00 O ATOM 749 CB LYS A 100 -3.929 15.119 -6.914 1.00 0.00 C ATOM 750 CG LYS A 100 -4.981 14.132 -7.415 1.00 0.00 C ATOM 751 CD LYS A 100 -5.693 14.717 -8.639 1.00 0.00 C ATOM 752 CE LYS A 100 -6.745 15.731 -8.190 1.00 0.00 C ATOM 753 NZ LYS A 100 -6.337 17.097 -8.625 1.00 0.00 N ATOM 0 H LYS A 100 -5.260 13.542 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.023 15.545 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.098 16.101 -7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.936 14.796 -7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.510 13.184 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.704 13.924 -6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.969 15.197 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.165 13.919 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.715 15.477 -8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.855 15.701 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.174 17.713 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.652 17.487 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.899 17.045 -9.567 1.00 0.00 H new ATOM 754 N LYS A 101 -5.793 15.931 -3.941 1.00 0.00 N ATOM 755 CA LYS A 101 -6.868 16.858 -3.491 1.00 0.00 C ATOM 756 C LYS A 101 -7.977 16.898 -4.537 1.00 0.00 C ATOM 757 O LYS A 101 -7.734 17.128 -5.703 1.00 0.00 O ATOM 758 CB LYS A 101 -6.293 18.263 -3.291 1.00 0.00 C ATOM 759 CG LYS A 101 -7.379 19.181 -2.728 1.00 0.00 C ATOM 760 CD LYS A 101 -6.953 20.642 -2.890 1.00 0.00 C ATOM 761 CE LYS A 101 -7.280 21.116 -4.307 1.00 0.00 C ATOM 762 NZ LYS A 101 -7.251 22.606 -4.351 1.00 0.00 N ATOM 0 H LYS A 101 -5.682 15.091 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.277 16.503 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.443 18.226 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.925 18.656 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.321 19.007 -3.247 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.549 18.956 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.468 21.265 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.885 20.744 -2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.559 20.706 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.263 20.752 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.473 22.929 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.955 22.987 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.304 22.943 -4.083 1.00 0.00 H new ATOM 763 N TYR A 102 -9.192 16.645 -4.119 1.00 0.00 N ATOM 764 CA TYR A 102 -10.351 16.632 -5.062 1.00 0.00 C ATOM 765 C TYR A 102 -10.399 15.286 -5.786 1.00 0.00 C ATOM 766 O TYR A 102 -11.420 14.892 -6.313 1.00 0.00 O ATOM 767 CB TYR A 102 -10.240 17.765 -6.092 1.00 0.00 C ATOM 768 CG TYR A 102 -11.503 17.803 -6.923 1.00 0.00 C ATOM 769 CD1 TYR A 102 -11.712 16.841 -7.922 1.00 0.00 C ATOM 770 CD2 TYR A 102 -12.466 18.793 -6.694 1.00 0.00 C ATOM 771 CE1 TYR A 102 -12.883 16.871 -8.688 1.00 0.00 C ATOM 772 CE2 TYR A 102 -13.638 18.821 -7.461 1.00 0.00 C ATOM 773 CZ TYR A 102 -13.846 17.860 -8.458 1.00 0.00 C ATOM 774 OH TYR A 102 -15.002 17.885 -9.214 1.00 0.00 O ATOM 0 H TYR A 102 -9.433 16.444 -3.148 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.265 16.781 -4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -10.093 18.720 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.373 17.607 -6.733 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.969 16.077 -8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -12.305 19.535 -5.926 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.044 16.130 -9.457 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.381 19.584 -7.283 1.00 0.00 H new ATOM 0 HH TYR A 102 -15.565 18.634 -8.926 1.00 0.00 H new ATOM 775 N ALA A 103 -9.311 14.568 -5.815 1.00 0.00 N ATOM 776 CA ALA A 103 -9.315 13.258 -6.505 1.00 0.00 C ATOM 777 C ALA A 103 -8.890 12.167 -5.539 1.00 0.00 C ATOM 778 O ALA A 103 -8.714 11.031 -5.905 1.00 0.00 O ATOM 779 CB ALA A 103 -8.342 13.303 -7.676 1.00 0.00 C ATOM 0 H ALA A 103 -8.423 14.835 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.320 13.045 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.342 12.340 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.647 14.083 -8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.339 13.518 -7.308 1.00 0.00 H new ATOM 780 N PHE A 104 -8.733 12.492 -4.303 1.00 0.00 N ATOM 781 CA PHE A 104 -8.327 11.448 -3.334 1.00 0.00 C ATOM 782 C PHE A 104 -9.570 10.925 -2.622 1.00 0.00 C ATOM 783 O PHE A 104 -10.198 11.625 -1.850 1.00 0.00 O ATOM 784 CB PHE A 104 -7.347 12.026 -2.321 1.00 0.00 C ATOM 785 CG PHE A 104 -6.719 10.907 -1.519 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.073 9.571 -1.765 1.00 0.00 C ATOM 787 CD2 PHE A 104 -5.775 11.208 -0.532 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.483 8.544 -1.027 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.183 10.176 0.206 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.539 8.845 -0.042 1.00 0.00 C ATOM 0 H PHE A 104 -8.865 13.427 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.835 10.630 -3.861 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.573 12.596 -2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.864 12.717 -1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.803 9.338 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.503 12.235 -0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.756 7.517 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.452 10.407 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.083 8.050 0.529 1.00 0.00 H new ATOM 791 N ASP A 105 -9.933 9.702 -2.885 1.00 0.00 N ATOM 792 CA ASP A 105 -11.143 9.125 -2.240 1.00 0.00 C ATOM 793 C ASP A 105 -11.598 7.892 -3.025 1.00 0.00 C ATOM 794 O ASP A 105 -12.290 7.039 -2.506 1.00 0.00 O ATOM 795 CB ASP A 105 -12.265 10.168 -2.235 1.00 0.00 C ATOM 796 CG ASP A 105 -12.236 10.953 -3.549 1.00 0.00 C ATOM 797 OD1 ASP A 105 -11.650 10.461 -4.498 1.00 0.00 O ATOM 798 OD2 ASP A 105 -12.803 12.034 -3.583 1.00 0.00 O ATOM 0 H ASP A 105 -9.441 9.075 -3.522 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.908 8.839 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.231 9.678 -2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.142 10.846 -1.391 1.00 0.00 H new ATOM 799 N TYR A 106 -11.217 7.786 -4.272 1.00 0.00 N ATOM 800 CA TYR A 106 -11.639 6.600 -5.069 1.00 0.00 C ATOM 801 C TYR A 106 -10.761 5.397 -4.708 1.00 0.00 C ATOM 802 O TYR A 106 -10.370 5.213 -3.573 1.00 0.00 O ATOM 803 CB TYR A 106 -11.499 6.882 -6.570 1.00 0.00 C ATOM 804 CG TYR A 106 -11.638 8.350 -6.864 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.903 8.946 -6.891 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.499 9.109 -7.138 1.00 0.00 C ATOM 807 CE1 TYR A 106 -13.027 10.307 -7.191 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.619 10.465 -7.444 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.886 11.068 -7.470 1.00 0.00 C ATOM 810 OH TYR A 106 -12.013 12.407 -7.778 1.00 0.00 O ATOM 0 H TYR A 106 -10.637 8.463 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.683 6.385 -4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.529 6.529 -6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.258 6.325 -7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.783 8.356 -6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.524 8.646 -7.113 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.003 10.770 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.737 11.050 -7.661 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.799 12.774 -7.323 1.00 0.00 H new ATOM 811 N TRP A 107 -10.469 4.570 -5.676 1.00 0.00 N ATOM 812 CA TRP A 107 -9.642 3.359 -5.432 1.00 0.00 C ATOM 813 C TRP A 107 -10.112 2.668 -4.152 1.00 0.00 C ATOM 814 O TRP A 107 -9.737 3.045 -3.060 1.00 0.00 O ATOM 815 CB TRP A 107 -8.168 3.717 -5.291 1.00 0.00 C ATOM 816 CG TRP A 107 -7.783 4.813 -6.238 1.00 0.00 C ATOM 817 CD1 TRP A 107 -7.923 6.130 -5.988 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.181 4.716 -7.569 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.429 6.849 -7.055 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.971 6.023 -8.062 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.799 3.636 -8.387 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.405 6.248 -9.318 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.228 3.861 -9.649 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.033 5.165 -10.113 1.00 0.00 C ATOM 0 H TRP A 107 -10.776 4.687 -6.642 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.758 2.692 -6.286 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.963 4.029 -4.267 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.557 2.835 -5.484 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.354 6.555 -5.093 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.405 7.868 -7.096 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.947 2.624 -8.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.256 7.257 -9.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.938 3.023 -10.265 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.595 5.333 -11.086 1.00 0.00 H new ATOM 825 N GLY A 108 -10.931 1.659 -4.272 1.00 0.00 N ATOM 826 CA GLY A 108 -11.416 0.960 -3.049 1.00 0.00 C ATOM 827 C GLY A 108 -11.960 -0.425 -3.409 1.00 0.00 C ATOM 828 O GLY A 108 -12.898 -0.906 -2.804 1.00 0.00 O ATOM 0 H GLY A 108 -11.283 1.291 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.602 0.863 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.196 1.551 -2.569 1.00 0.00 H new ATOM 829 N GLN A 109 -11.378 -1.078 -4.379 1.00 0.00 N ATOM 830 CA GLN A 109 -11.868 -2.434 -4.756 1.00 0.00 C ATOM 831 C GLN A 109 -11.057 -3.485 -3.994 1.00 0.00 C ATOM 832 O GLN A 109 -11.597 -4.270 -3.240 1.00 0.00 O ATOM 833 CB GLN A 109 -11.700 -2.648 -6.262 1.00 0.00 C ATOM 834 CG GLN A 109 -13.071 -2.885 -6.900 1.00 0.00 C ATOM 835 CD GLN A 109 -13.841 -3.933 -6.093 1.00 0.00 C ATOM 836 OE1 GLN A 109 -14.972 -3.712 -5.713 1.00 0.00 O ATOM 837 NE2 GLN A 109 -13.269 -5.072 -5.812 1.00 0.00 N ATOM 0 H GLN A 109 -10.588 -0.733 -4.924 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.924 -2.525 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.223 -1.778 -6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -11.048 -3.501 -6.448 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.634 -1.952 -6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.950 -3.221 -7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.318 -5.258 -6.131 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -13.773 -5.776 -5.273 1.00 0.00 H new ATOM 838 N GLY A 110 -9.765 -3.499 -4.175 1.00 0.00 N ATOM 839 CA GLY A 110 -8.925 -4.491 -3.445 1.00 0.00 C ATOM 840 C GLY A 110 -8.218 -5.419 -4.434 1.00 0.00 C ATOM 841 O GLY A 110 -8.769 -5.807 -5.445 1.00 0.00 O ATOM 0 H GLY A 110 -9.256 -2.869 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.188 -3.972 -2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.547 -5.076 -2.768 1.00 0.00 H new ATOM 842 N THR A 111 -7.005 -5.795 -4.133 1.00 0.00 N ATOM 843 CA THR A 111 -6.255 -6.709 -5.024 1.00 0.00 C ATOM 844 C THR A 111 -5.290 -7.481 -4.138 1.00 0.00 C ATOM 845 O THR A 111 -5.601 -7.766 -3.002 1.00 0.00 O ATOM 846 CB THR A 111 -5.485 -5.906 -6.074 1.00 0.00 C ATOM 847 OG1 THR A 111 -5.023 -6.782 -7.092 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.295 -5.212 -5.415 1.00 0.00 C ATOM 0 H THR A 111 -6.501 -5.501 -3.297 1.00 0.00 H new ATOM 0 HA THR A 111 -6.927 -7.384 -5.554 1.00 0.00 H new ATOM 0 HB THR A 111 -6.142 -5.155 -6.512 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.747 -6.259 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.747 -4.640 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.652 -4.540 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.635 -5.960 -4.975 1.00 0.00 H new ATOM 849 N LEU A 112 -4.127 -7.817 -4.609 1.00 0.00 N ATOM 850 CA LEU A 112 -3.206 -8.562 -3.717 1.00 0.00 C ATOM 851 C LEU A 112 -1.903 -8.921 -4.424 1.00 0.00 C ATOM 852 O LEU A 112 -1.571 -8.430 -5.483 1.00 0.00 O ATOM 853 CB LEU A 112 -3.885 -9.866 -3.304 1.00 0.00 C ATOM 854 CG LEU A 112 -3.968 -10.762 -4.536 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.975 -11.919 -4.399 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.390 -11.313 -4.675 1.00 0.00 C ATOM 0 H LEU A 112 -3.781 -7.615 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.978 -7.929 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.319 -10.357 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.881 -9.669 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.720 -10.180 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.036 -12.557 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.964 -11.522 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.217 -12.503 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.448 -11.953 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.644 -11.893 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.092 -10.486 -4.781 1.00 0.00 H new ATOM 857 N VAL A 113 -1.192 -9.814 -3.813 1.00 0.00 N ATOM 858 CA VAL A 113 0.091 -10.317 -4.349 1.00 0.00 C ATOM 859 C VAL A 113 0.250 -11.721 -3.779 1.00 0.00 C ATOM 860 O VAL A 113 0.270 -11.904 -2.571 1.00 0.00 O ATOM 861 CB VAL A 113 1.223 -9.418 -3.867 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.308 -8.186 -4.773 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.914 -8.987 -2.434 1.00 0.00 C ATOM 0 H VAL A 113 -1.461 -10.234 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 113 0.112 -10.326 -5.439 1.00 0.00 H new ATOM 0 HB VAL A 113 2.174 -9.949 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.117 -7.539 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.502 -8.501 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.365 -7.640 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.713 -8.342 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.030 -8.443 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.839 -9.868 -1.797 1.00 0.00 H new ATOM 864 N THR A 114 0.311 -12.717 -4.617 1.00 0.00 N ATOM 865 CA THR A 114 0.411 -14.103 -4.093 1.00 0.00 C ATOM 866 C THR A 114 1.859 -14.555 -4.062 1.00 0.00 C ATOM 867 O THR A 114 2.417 -14.972 -5.057 1.00 0.00 O ATOM 868 CB THR A 114 -0.401 -15.045 -4.979 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.443 -14.320 -5.614 1.00 0.00 O ATOM 870 CG2 THR A 114 -1.001 -16.148 -4.111 1.00 0.00 C ATOM 0 H THR A 114 0.296 -12.631 -5.633 1.00 0.00 H new ATOM 0 HA THR A 114 0.016 -14.124 -3.077 1.00 0.00 H new ATOM 0 HB THR A 114 0.245 -15.484 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.962 -14.925 -6.184 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.583 -16.826 -4.735 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.200 -16.702 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.649 -15.704 -3.355 1.00 0.00 H new ATOM 871 N VAL A 115 2.470 -14.492 -2.917 1.00 0.00 N ATOM 872 CA VAL A 115 3.879 -14.935 -2.815 1.00 0.00 C ATOM 873 C VAL A 115 3.972 -16.385 -3.287 1.00 0.00 C ATOM 874 O VAL A 115 3.316 -17.260 -2.758 1.00 0.00 O ATOM 875 CB VAL A 115 4.348 -14.843 -1.365 1.00 0.00 C ATOM 876 CG1 VAL A 115 4.842 -13.433 -1.068 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.192 -15.183 -0.422 1.00 0.00 C ATOM 0 H VAL A 115 2.054 -14.153 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 115 4.510 -14.297 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 115 5.162 -15.552 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.175 -13.375 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.673 -13.192 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.032 -12.722 -1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.533 -15.116 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.374 -14.480 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.844 -16.196 -0.624 1.00 0.00 H new ATOM 878 N SER A 116 4.773 -16.651 -4.280 1.00 0.00 N ATOM 879 CA SER A 116 4.888 -18.049 -4.778 1.00 0.00 C ATOM 880 C SER A 116 5.920 -18.109 -5.903 1.00 0.00 C ATOM 881 O SER A 116 6.113 -17.158 -6.634 1.00 0.00 O ATOM 882 CB SER A 116 3.528 -18.506 -5.306 1.00 0.00 C ATOM 883 OG SER A 116 3.084 -19.630 -4.557 1.00 0.00 O ATOM 0 H SER A 116 5.350 -15.965 -4.766 1.00 0.00 H new ATOM 0 HA SER A 116 5.205 -18.703 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.804 -17.695 -5.229 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.604 -18.766 -6.362 1.00 0.00 H new ATOM 0 HG SER A 116 2.942 -19.366 -3.624 1.00 0.00 H new ATOM 884 N SER A 117 6.588 -19.220 -6.048 1.00 0.00 N ATOM 885 CA SER A 117 7.608 -19.340 -7.126 1.00 0.00 C ATOM 886 C SER A 117 6.911 -19.637 -8.456 1.00 0.00 C ATOM 887 O SER A 117 7.219 -18.965 -9.427 1.00 0.00 O ATOM 888 CB SER A 117 8.576 -20.475 -6.790 1.00 0.00 C ATOM 889 OG SER A 117 7.949 -21.722 -7.059 1.00 0.00 O ATOM 890 OXT SER A 117 6.080 -20.530 -8.481 1.00 0.00 O ATOM 0 H SER A 117 6.471 -20.050 -5.466 1.00 0.00 H new ATOM 0 HA SER A 117 8.162 -18.405 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 117 9.487 -20.378 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 117 8.868 -20.421 -5.741 1.00 0.00 H new ATOM 0 HG SER A 117 7.018 -21.569 -7.325 1.00 0.00 H new TER 891 SER A 117