USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 863 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 93 LYS NZ :NH3+ -137:sc= -0.398 (180deg=-2.07!) USER MOD Set 1.2: A 108 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 11 MET CE :methyl 147:sc= -0.0875 (180deg=-0.808) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc=-0.000811 USER MOD Set 3.1: A 6 MET CE :methyl 180:sc= -0.14 (180deg=0) USER MOD Set 3.2: A 20 CYS SG : rot 180:sc= -0.144 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0151 (180deg=-0.195) USER MOD Single : A 2 THR OG1 : rot 92:sc= 0.853 USER MOD Single : A 4 CYS SG : rot -33:sc= 0.0971 USER MOD Single : A 7 TYR OH : rot -155:sc= -0.628 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-2.5) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 56:sc= -0.822 USER MOD Single : A 40 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.015) USER MOD Single : A 45 MET CE :methyl -109:sc= -0.367 (180deg=-2.73) USER MOD Single : A 46 MET CE :methyl -169:sc=-0.00367 (180deg=-0.163) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -27:sc= 0.853 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.05 K(o=-1,f=-8.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00367) USER MOD Single : A 77 MET CE :methyl 155:sc= 0 (180deg=-0.222) USER MOD Single : A 78 SER OG : rot 180:sc=-0.00129 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.109 USER MOD Single : A 87 ASN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 88 MET CE :methyl -144:sc= -0.779 (180deg=-2.52!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.879 K(o=0.88,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -153:sc= -0.123 (180deg=-0.742) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.250 -0.536 -0.209 1.00 0.00 N ATOM 2 CA MET A 1 2.157 -0.246 -1.313 1.00 0.00 C ATOM 3 C MET A 1 1.379 0.100 -2.579 1.00 0.00 C ATOM 4 O MET A 1 1.803 -0.225 -3.689 1.00 0.00 O ATOM 5 CB MET A 1 3.075 -1.441 -1.575 1.00 0.00 C ATOM 6 CG MET A 1 2.334 -2.688 -2.029 1.00 0.00 C ATOM 7 SD MET A 1 3.449 -4.028 -2.492 1.00 0.00 S ATOM 8 CE MET A 1 2.276 -5.324 -2.884 1.00 0.00 C ATOM 0 H1 MET A 1 1.780 -0.977 0.569 1.00 0.00 H new ATOM 0 H2 MET A 1 0.816 0.348 0.125 1.00 0.00 H new ATOM 0 H3 MET A 1 0.505 -1.186 -0.533 1.00 0.00 H new ATOM 0 HA MET A 1 2.765 0.615 -1.034 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.807 -1.167 -2.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.630 -1.669 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.677 -3.027 -1.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.698 -2.439 -2.879 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.814 -6.222 -3.189 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.671 -5.545 -2.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.629 -4.995 -3.697 1.00 0.00 H new ATOM 18 N THR A 2 0.238 0.759 -2.406 1.00 0.00 N ATOM 19 CA THR A 2 -0.599 1.147 -3.534 1.00 0.00 C ATOM 20 C THR A 2 -0.332 2.590 -3.946 1.00 0.00 C ATOM 21 O THR A 2 -0.004 3.435 -3.112 1.00 0.00 O ATOM 22 CB THR A 2 -2.096 0.988 -3.204 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.279 -0.076 -2.264 1.00 0.00 O ATOM 24 CG2 THR A 2 -2.900 0.704 -4.463 1.00 0.00 C ATOM 0 H THR A 2 -0.128 1.035 -1.495 1.00 0.00 H new ATOM 0 HA THR A 2 -0.344 0.483 -4.360 1.00 0.00 H new ATOM 0 HB THR A 2 -2.452 1.922 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.256 0.285 -1.353 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.954 0.596 -4.205 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.781 1.530 -5.165 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.542 -0.217 -4.923 1.00 0.00 H new ATOM 32 N LEU A 3 -0.476 2.868 -5.237 1.00 0.00 N ATOM 33 CA LEU A 3 -0.251 4.211 -5.761 1.00 0.00 C ATOM 34 C LEU A 3 -1.461 4.697 -6.552 1.00 0.00 C ATOM 35 O LEU A 3 -1.840 4.095 -7.557 1.00 0.00 O ATOM 36 CB LEU A 3 0.995 4.231 -6.649 1.00 0.00 C ATOM 37 CG LEU A 3 2.314 4.559 -5.947 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.304 5.990 -5.433 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.569 3.582 -4.808 1.00 0.00 C ATOM 0 H LEU A 3 -0.748 2.181 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.099 4.883 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.093 3.256 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.838 4.960 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 3 3.123 4.461 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.250 6.205 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.169 6.676 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.486 6.116 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.511 3.830 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.757 3.647 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.621 2.568 -5.204 1.00 0.00 H new ATOM 51 N CYS A 4 -2.061 5.789 -6.093 1.00 0.00 N ATOM 52 CA CYS A 4 -3.228 6.358 -6.758 1.00 0.00 C ATOM 53 C CYS A 4 -2.920 7.749 -7.302 1.00 0.00 C ATOM 54 O CYS A 4 -1.946 8.383 -6.897 1.00 0.00 O ATOM 55 CB CYS A 4 -4.410 6.426 -5.790 1.00 0.00 C ATOM 56 SG CYS A 4 -4.097 7.415 -4.310 1.00 0.00 S ATOM 0 H CYS A 4 -1.759 6.299 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.490 5.710 -7.595 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.272 6.839 -6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.677 5.413 -5.487 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.847 7.304 -3.970 1.00 0.00 H new ATOM 62 N ALA A 5 -3.755 8.217 -8.223 1.00 0.00 N ATOM 63 CA ALA A 5 -3.573 9.533 -8.823 1.00 0.00 C ATOM 64 C ALA A 5 -4.836 10.377 -8.690 1.00 0.00 C ATOM 65 O ALA A 5 -5.944 9.846 -8.623 1.00 0.00 O ATOM 66 CB ALA A 5 -3.179 9.396 -10.286 1.00 0.00 C ATOM 0 H ALA A 5 -4.565 7.704 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.771 10.041 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.046 10.386 -10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.245 8.839 -10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.963 8.864 -10.826 1.00 0.00 H new ATOM 72 N MET A 6 -4.660 11.694 -8.651 1.00 0.00 N ATOM 73 CA MET A 6 -5.787 12.611 -8.526 1.00 0.00 C ATOM 74 C MET A 6 -6.036 13.349 -9.838 1.00 0.00 C ATOM 75 O MET A 6 -5.150 14.029 -10.356 1.00 0.00 O ATOM 76 CB MET A 6 -5.531 13.617 -7.402 1.00 0.00 C ATOM 77 CG MET A 6 -5.632 13.013 -6.011 1.00 0.00 C ATOM 78 SD MET A 6 -7.255 13.259 -5.263 1.00 0.00 S ATOM 79 CE MET A 6 -7.300 11.898 -4.099 1.00 0.00 C ATOM 0 H MET A 6 -3.749 12.149 -8.704 1.00 0.00 H new ATOM 0 HA MET A 6 -6.674 12.026 -8.285 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.538 14.048 -7.531 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.247 14.434 -7.487 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.420 11.945 -6.066 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.870 13.457 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.245 11.914 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.207 10.955 -4.638 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.475 11.996 -3.393 1.00 0.00 H new ATOM 89 N TYR A 7 -7.245 13.209 -10.369 1.00 0.00 N ATOM 90 CA TYR A 7 -7.608 13.860 -11.622 1.00 0.00 C ATOM 91 C TYR A 7 -8.530 15.050 -11.371 1.00 0.00 C ATOM 92 O TYR A 7 -9.351 15.031 -10.455 1.00 0.00 O ATOM 93 CB TYR A 7 -8.290 12.863 -12.561 1.00 0.00 C ATOM 94 CG TYR A 7 -7.980 13.097 -14.022 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.563 14.150 -14.716 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.103 12.265 -14.708 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.283 14.367 -16.051 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.816 12.476 -16.043 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.409 13.527 -16.710 1.00 0.00 C ATOM 100 OH TYR A 7 -7.127 13.741 -18.040 1.00 0.00 O ATOM 0 H TYR A 7 -7.990 12.651 -9.952 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.693 14.224 -12.090 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.982 11.853 -12.290 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.369 12.918 -12.414 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.247 14.810 -14.203 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.638 11.440 -14.189 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.746 15.190 -16.576 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.131 11.821 -16.561 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.844 12.899 -18.454 1.00 0.00 H new ATOM 110 N ASN A 8 -8.386 16.085 -12.192 1.00 0.00 N ATOM 111 CA ASN A 8 -9.205 17.285 -12.060 1.00 0.00 C ATOM 112 C ASN A 8 -9.781 17.702 -13.410 1.00 0.00 C ATOM 113 O ASN A 8 -9.144 18.434 -14.168 1.00 0.00 O ATOM 114 CB ASN A 8 -8.379 18.429 -11.470 1.00 0.00 C ATOM 115 CG ASN A 8 -9.200 19.687 -11.259 1.00 0.00 C ATOM 116 OD1 ASN A 8 -10.396 19.620 -10.975 1.00 0.00 O ATOM 117 ND2 ASN A 8 -8.559 20.841 -11.399 1.00 0.00 N ATOM 0 H ASN A 8 -7.710 16.117 -12.955 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.032 17.058 -11.387 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.953 18.112 -10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.544 18.651 -12.135 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.059 21.721 -11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.567 20.848 -11.635 1.00 0.00 H new ATOM 124 N ILE A 9 -10.988 17.231 -13.703 1.00 0.00 N ATOM 125 CA ILE A 9 -11.650 17.556 -14.960 1.00 0.00 C ATOM 126 C ILE A 9 -12.723 18.621 -14.757 1.00 0.00 C ATOM 127 O ILE A 9 -13.561 18.510 -13.862 1.00 0.00 O ATOM 128 CB ILE A 9 -12.294 16.310 -15.597 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.892 16.659 -16.961 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.360 15.736 -14.676 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.534 15.480 -17.659 1.00 0.00 C ATOM 0 H ILE A 9 -11.528 16.623 -13.087 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.881 17.940 -15.631 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.522 15.554 -15.743 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.637 17.444 -16.832 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.108 17.066 -17.599 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.806 14.856 -15.140 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.907 15.455 -13.725 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.132 16.485 -14.502 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.937 15.801 -18.620 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.788 14.702 -17.820 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.341 15.086 -17.041 1.00 0.00 H new ATOM 143 N SER A 10 -12.692 19.652 -15.596 1.00 0.00 N ATOM 144 CA SER A 10 -13.661 20.738 -15.508 1.00 0.00 C ATOM 145 C SER A 10 -14.232 21.070 -16.883 1.00 0.00 C ATOM 146 O SER A 10 -13.665 21.869 -17.627 1.00 0.00 O ATOM 147 CB SER A 10 -13.009 21.982 -14.900 1.00 0.00 C ATOM 148 OG SER A 10 -11.974 21.628 -13.999 1.00 0.00 O ATOM 0 H SER A 10 -12.007 19.758 -16.344 1.00 0.00 H new ATOM 0 HA SER A 10 -14.478 20.412 -14.864 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.605 22.609 -15.694 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.762 22.573 -14.379 1.00 0.00 H new ATOM 0 HG SER A 10 -11.573 22.441 -13.626 1.00 0.00 H new ATOM 154 N MET A 11 -15.360 20.449 -17.213 1.00 0.00 N ATOM 155 CA MET A 11 -16.010 20.678 -18.498 1.00 0.00 C ATOM 156 C MET A 11 -16.221 22.169 -18.742 1.00 0.00 C ATOM 157 O MET A 11 -16.094 22.981 -17.827 1.00 0.00 O ATOM 158 CB MET A 11 -17.352 19.946 -18.552 1.00 0.00 C ATOM 159 CG MET A 11 -17.852 19.697 -19.966 1.00 0.00 C ATOM 160 SD MET A 11 -19.040 18.344 -20.056 1.00 0.00 S ATOM 161 CE MET A 11 -19.793 18.659 -21.650 1.00 0.00 C ATOM 0 H MET A 11 -15.842 19.784 -16.609 1.00 0.00 H new ATOM 0 HA MET A 11 -15.360 20.288 -19.281 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.257 18.991 -18.036 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.096 20.529 -18.009 1.00 0.00 H new ATOM 0 HG2 MET A 11 -18.314 20.607 -20.349 1.00 0.00 H new ATOM 0 HG3 MET A 11 -17.004 19.474 -20.613 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.069 17.713 -22.116 1.00 0.00 H new ATOM 0 HE2 MET A 11 -20.685 19.271 -21.516 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.084 19.185 -22.290 1.00 0.00 H new ATOM 171 N ALA A 12 -16.542 22.521 -19.983 1.00 0.00 N ATOM 172 CA ALA A 12 -16.772 23.914 -20.346 1.00 0.00 C ATOM 173 C ALA A 12 -17.845 24.542 -19.464 1.00 0.00 C ATOM 174 O ALA A 12 -18.999 24.113 -19.472 1.00 0.00 O ATOM 175 CB ALA A 12 -17.164 24.019 -21.813 1.00 0.00 C ATOM 0 H ALA A 12 -16.649 21.861 -20.753 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.843 24.462 -20.189 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.333 25.065 -22.071 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.363 23.617 -22.433 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.078 23.450 -21.987 1.00 0.00 H new ATOM 181 N GLY A 13 -17.457 25.560 -18.702 1.00 0.00 N ATOM 182 CA GLY A 13 -18.399 26.230 -17.823 1.00 0.00 C ATOM 183 C GLY A 13 -18.949 25.309 -16.753 1.00 0.00 C ATOM 184 O GLY A 13 -20.164 25.178 -16.603 1.00 0.00 O ATOM 0 H GLY A 13 -16.508 25.933 -18.677 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.908 27.080 -17.349 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.224 26.628 -18.415 1.00 0.00 H new ATOM 188 N SER A 14 -18.054 24.667 -16.009 1.00 0.00 N ATOM 189 CA SER A 14 -18.458 23.749 -14.951 1.00 0.00 C ATOM 190 C SER A 14 -17.384 23.658 -13.871 1.00 0.00 C ATOM 191 O SER A 14 -16.188 23.642 -14.168 1.00 0.00 O ATOM 192 CB SER A 14 -18.733 22.359 -15.530 1.00 0.00 C ATOM 193 OG SER A 14 -19.515 21.582 -14.640 1.00 0.00 O ATOM 0 H SER A 14 -17.045 24.766 -16.119 1.00 0.00 H new ATOM 0 HA SER A 14 -19.372 24.135 -14.499 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.250 22.455 -16.485 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.789 21.851 -15.728 1.00 0.00 H new ATOM 0 HG SER A 14 -19.678 20.699 -15.033 1.00 0.00 H new ATOM 199 N HIS A 15 -17.818 23.601 -12.616 1.00 0.00 N ATOM 200 CA HIS A 15 -16.895 23.512 -11.491 1.00 0.00 C ATOM 201 C HIS A 15 -15.907 22.366 -11.687 1.00 0.00 C ATOM 202 O HIS A 15 -16.134 21.447 -12.475 1.00 0.00 O ATOM 203 CB HIS A 15 -17.666 23.317 -10.185 1.00 0.00 C ATOM 204 CG HIS A 15 -18.041 24.602 -9.513 1.00 0.00 C ATOM 205 ND1 HIS A 15 -17.988 24.781 -8.147 1.00 0.00 N ATOM 206 CD2 HIS A 15 -18.475 25.776 -10.028 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.375 26.009 -7.851 1.00 0.00 C ATOM 208 NE2 HIS A 15 -18.676 26.634 -8.975 1.00 0.00 N ATOM 0 H HIS A 15 -18.803 23.615 -12.353 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.336 24.446 -11.438 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.572 22.746 -10.389 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.061 22.722 -9.501 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -18.634 25.997 -11.073 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.435 26.430 -6.858 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -19.004 27.597 -9.049 1.00 0.00 H new ATOM 216 N PRO A 16 -14.784 22.419 -10.956 1.00 0.00 N ATOM 217 CA PRO A 16 -13.739 21.394 -11.033 1.00 0.00 C ATOM 218 C PRO A 16 -14.185 20.066 -10.430 1.00 0.00 C ATOM 219 O PRO A 16 -14.649 20.014 -9.291 1.00 0.00 O ATOM 220 CB PRO A 16 -12.592 21.994 -10.216 1.00 0.00 C ATOM 221 CG PRO A 16 -13.253 22.934 -9.268 1.00 0.00 C ATOM 222 CD PRO A 16 -14.448 23.485 -9.997 1.00 0.00 C ATOM 0 HA PRO A 16 -13.470 21.162 -12.064 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.038 21.220 -9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.879 22.514 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.555 22.420 -8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.573 23.733 -8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.275 23.689 -9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.213 24.421 -10.503 1.00 0.00 H new ATOM 230 N THR A 17 -14.041 18.993 -11.202 1.00 0.00 N ATOM 231 CA THR A 17 -14.429 17.665 -10.744 1.00 0.00 C ATOM 232 C THR A 17 -13.206 16.823 -10.400 1.00 0.00 C ATOM 233 O THR A 17 -12.392 16.506 -11.268 1.00 0.00 O ATOM 234 CB THR A 17 -15.264 16.926 -11.807 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.474 17.646 -12.066 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.595 15.514 -11.349 1.00 0.00 C ATOM 0 H THR A 17 -13.658 19.018 -12.147 1.00 0.00 H new ATOM 0 HA THR A 17 -15.035 17.804 -9.849 1.00 0.00 H new ATOM 0 HB THR A 17 -14.676 16.865 -12.722 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.999 17.171 -12.744 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.185 15.012 -12.116 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.671 14.960 -11.181 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.166 15.557 -10.422 1.00 0.00 H new ATOM 244 N THR A 18 -13.081 16.462 -9.126 1.00 0.00 N ATOM 245 CA THR A 18 -11.957 15.656 -8.667 1.00 0.00 C ATOM 246 C THR A 18 -12.236 14.169 -8.847 1.00 0.00 C ATOM 247 O THR A 18 -13.031 13.583 -8.111 1.00 0.00 O ATOM 248 CB THR A 18 -11.638 15.931 -7.185 1.00 0.00 C ATOM 249 OG1 THR A 18 -12.032 17.263 -6.838 1.00 0.00 O ATOM 250 CG2 THR A 18 -10.153 15.748 -6.909 1.00 0.00 C ATOM 0 H THR A 18 -13.745 16.715 -8.394 1.00 0.00 H new ATOM 0 HA THR A 18 -11.097 15.937 -9.275 1.00 0.00 H new ATOM 0 HB THR A 18 -12.195 15.218 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.827 17.429 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.951 15.947 -5.857 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.862 14.725 -7.147 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.580 16.441 -7.526 1.00 0.00 H new ATOM 258 N ILE A 19 -11.578 13.562 -9.829 1.00 0.00 N ATOM 259 CA ILE A 19 -11.755 12.142 -10.104 1.00 0.00 C ATOM 260 C ILE A 19 -10.522 11.345 -9.693 1.00 0.00 C ATOM 261 O ILE A 19 -9.466 11.448 -10.319 1.00 0.00 O ATOM 262 CB ILE A 19 -12.043 11.889 -11.596 1.00 0.00 C ATOM 263 CG1 ILE A 19 -13.105 12.865 -12.105 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.490 10.451 -11.812 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.429 12.693 -13.573 1.00 0.00 C ATOM 0 H ILE A 19 -10.917 14.032 -10.448 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.611 11.811 -9.516 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.126 12.053 -12.161 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.017 12.734 -11.522 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.761 13.885 -11.934 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.690 10.287 -12.871 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.704 9.772 -11.482 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.397 10.262 -11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.189 13.417 -13.865 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.528 12.853 -14.166 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.803 11.684 -13.747 1.00 0.00 H new ATOM 277 N CYS A 20 -10.663 10.549 -8.639 1.00 0.00 N ATOM 278 CA CYS A 20 -9.560 9.732 -8.145 1.00 0.00 C ATOM 279 C CYS A 20 -9.467 8.419 -8.916 1.00 0.00 C ATOM 280 O CYS A 20 -10.462 7.713 -9.082 1.00 0.00 O ATOM 281 CB CYS A 20 -9.737 9.449 -6.652 1.00 0.00 C ATOM 282 SG CYS A 20 -10.145 10.910 -5.668 1.00 0.00 S ATOM 0 H CYS A 20 -11.530 10.452 -8.110 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.634 10.287 -8.296 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.525 8.707 -6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.818 9.008 -6.265 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.277 10.570 -4.420 1.00 0.00 H new ATOM 288 N VAL A 21 -8.266 8.100 -9.387 1.00 0.00 N ATOM 289 CA VAL A 21 -8.043 6.872 -10.142 1.00 0.00 C ATOM 290 C VAL A 21 -6.665 6.289 -9.847 1.00 0.00 C ATOM 291 O VAL A 21 -5.675 7.016 -9.770 1.00 0.00 O ATOM 292 CB VAL A 21 -8.173 7.114 -11.657 1.00 0.00 C ATOM 293 CG1 VAL A 21 -8.140 5.794 -12.413 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.448 7.883 -11.966 1.00 0.00 C ATOM 0 H VAL A 21 -7.433 8.674 -9.259 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.809 6.163 -9.828 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.325 7.715 -11.986 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.233 5.985 -13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.196 5.285 -12.216 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.967 5.165 -12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.524 8.045 -13.041 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.310 7.311 -11.624 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.425 8.845 -11.455 1.00 0.00 H new ATOM 304 N VAL A 22 -6.609 4.971 -9.684 1.00 0.00 N ATOM 305 CA VAL A 22 -5.353 4.288 -9.399 1.00 0.00 C ATOM 306 C VAL A 22 -4.339 4.515 -10.515 1.00 0.00 C ATOM 307 O VAL A 22 -4.703 4.881 -11.633 1.00 0.00 O ATOM 308 CB VAL A 22 -5.566 2.774 -9.214 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.448 2.502 -8.006 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.166 2.164 -10.472 1.00 0.00 C ATOM 0 H VAL A 22 -7.420 4.355 -9.745 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.968 4.709 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.597 2.307 -9.037 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.587 1.427 -7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.973 2.904 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.417 2.980 -8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.310 1.094 -10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.127 2.634 -10.682 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.491 2.327 -11.313 1.00 0.00 H new ATOM 320 N MET A 23 -3.066 4.295 -10.205 1.00 0.00 N ATOM 321 CA MET A 23 -1.999 4.474 -11.183 1.00 0.00 C ATOM 322 C MET A 23 -1.982 3.324 -12.185 1.00 0.00 C ATOM 323 O MET A 23 -1.321 3.401 -13.221 1.00 0.00 O ATOM 324 CB MET A 23 -0.644 4.573 -10.479 1.00 0.00 C ATOM 325 CG MET A 23 -0.126 3.239 -9.967 1.00 0.00 C ATOM 326 SD MET A 23 1.016 2.450 -11.118 1.00 0.00 S ATOM 327 CE MET A 23 2.570 2.666 -10.254 1.00 0.00 C ATOM 0 H MET A 23 -2.748 3.992 -9.284 1.00 0.00 H new ATOM 0 HA MET A 23 -2.187 5.401 -11.724 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.085 4.995 -11.170 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.729 5.266 -9.642 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.375 3.391 -9.011 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.969 2.573 -9.783 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.377 2.228 -10.842 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.762 3.729 -10.110 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.519 2.172 -9.284 1.00 0.00 H new ATOM 337 N ASP A 24 -2.711 2.260 -11.870 1.00 0.00 N ATOM 338 CA ASP A 24 -2.780 1.094 -12.743 1.00 0.00 C ATOM 339 C ASP A 24 -3.815 1.300 -13.845 1.00 0.00 C ATOM 340 O ASP A 24 -3.734 0.687 -14.909 1.00 0.00 O ATOM 341 CB ASP A 24 -3.122 -0.158 -11.933 1.00 0.00 C ATOM 342 CG ASP A 24 -1.996 -0.573 -11.007 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.845 0.054 -9.937 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.267 -1.527 -11.351 1.00 0.00 O ATOM 0 H ASP A 24 -3.263 2.180 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.803 0.961 -13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.022 0.027 -11.346 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.349 -0.978 -12.615 1.00 0.00 H new ATOM 349 N ARG A 25 -4.788 2.167 -13.581 1.00 0.00 N ATOM 350 CA ARG A 25 -5.840 2.452 -14.548 1.00 0.00 C ATOM 351 C ARG A 25 -5.867 3.936 -14.901 1.00 0.00 C ATOM 352 O ARG A 25 -6.814 4.422 -15.519 1.00 0.00 O ATOM 353 CB ARG A 25 -7.201 2.024 -13.996 1.00 0.00 C ATOM 354 CG ARG A 25 -7.528 0.561 -14.249 1.00 0.00 C ATOM 355 CD ARG A 25 -6.954 -0.334 -13.162 1.00 0.00 C ATOM 356 NE ARG A 25 -6.885 -1.731 -13.583 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.624 -2.736 -12.755 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.408 -2.501 -11.468 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.578 -3.980 -13.214 1.00 0.00 N ATOM 0 H ARG A 25 -4.869 2.684 -12.705 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.628 1.884 -15.454 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.224 2.212 -12.923 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.977 2.644 -14.445 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.609 0.431 -14.295 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.129 0.260 -15.218 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.956 0.014 -12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.569 -0.256 -12.266 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.046 -1.946 -14.567 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.442 -1.546 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.208 -3.275 -10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.743 -4.165 -14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.377 -4.751 -12.577 1.00 0.00 H new ATOM 373 N PHE A 26 -4.820 4.653 -14.502 1.00 0.00 N ATOM 374 CA PHE A 26 -4.724 6.082 -14.774 1.00 0.00 C ATOM 375 C PHE A 26 -4.626 6.345 -16.274 1.00 0.00 C ATOM 376 O PHE A 26 -5.427 7.092 -16.839 1.00 0.00 O ATOM 377 CB PHE A 26 -3.509 6.678 -14.060 1.00 0.00 C ATOM 378 CG PHE A 26 -3.639 8.148 -13.782 1.00 0.00 C ATOM 379 CD1 PHE A 26 -4.771 8.653 -13.162 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.629 9.026 -14.142 1.00 0.00 C ATOM 381 CE1 PHE A 26 -4.893 10.005 -12.904 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.746 10.380 -13.887 1.00 0.00 C ATOM 383 CZ PHE A 26 -3.879 10.870 -13.268 1.00 0.00 C ATOM 0 H PHE A 26 -4.027 4.267 -13.990 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.629 6.560 -14.398 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.356 6.150 -13.119 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.621 6.509 -14.668 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.567 7.982 -12.877 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.741 8.649 -14.627 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.780 10.385 -12.419 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.952 11.054 -14.172 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.972 11.927 -13.069 1.00 0.00 H new ATOM 393 N LEU A 27 -3.639 5.727 -16.913 1.00 0.00 N ATOM 394 CA LEU A 27 -3.435 5.893 -18.348 1.00 0.00 C ATOM 395 C LEU A 27 -4.701 5.542 -19.123 1.00 0.00 C ATOM 396 O LEU A 27 -5.081 6.243 -20.060 1.00 0.00 O ATOM 397 CB LEU A 27 -2.273 5.019 -18.823 1.00 0.00 C ATOM 398 CG LEU A 27 -1.952 5.081 -20.316 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.011 6.516 -20.815 1.00 0.00 C ATOM 400 CD2 LEU A 27 -0.585 4.473 -20.594 1.00 0.00 C ATOM 0 H LEU A 27 -2.968 5.107 -16.461 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.195 6.939 -18.537 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.380 5.305 -18.268 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.493 3.984 -18.562 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.701 4.500 -20.854 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.780 6.541 -21.880 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.011 6.917 -20.651 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.284 7.120 -20.272 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.374 4.526 -21.662 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.177 5.026 -20.045 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.578 3.431 -20.274 1.00 0.00 H new ATOM 412 N GLU A 28 -5.350 4.453 -18.724 1.00 0.00 N ATOM 413 CA GLU A 28 -6.574 4.010 -19.381 1.00 0.00 C ATOM 414 C GLU A 28 -7.665 5.071 -19.270 1.00 0.00 C ATOM 415 O GLU A 28 -8.283 5.447 -20.266 1.00 0.00 O ATOM 416 CB GLU A 28 -7.061 2.696 -18.767 1.00 0.00 C ATOM 417 CG GLU A 28 -8.177 2.032 -19.557 1.00 0.00 C ATOM 418 CD GLU A 28 -7.783 1.740 -20.992 1.00 0.00 C ATOM 419 OE1 GLU A 28 -7.175 0.677 -21.234 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.081 2.575 -21.871 1.00 0.00 O ATOM 0 H GLU A 28 -5.049 3.862 -17.949 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.353 3.850 -20.436 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.220 2.006 -18.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.409 2.886 -17.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.461 1.101 -19.066 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.056 2.677 -19.550 1.00 0.00 H new ATOM 427 N SER A 29 -7.896 5.549 -18.052 1.00 0.00 N ATOM 428 CA SER A 29 -8.916 6.563 -17.809 1.00 0.00 C ATOM 429 C SER A 29 -8.688 7.785 -18.695 1.00 0.00 C ATOM 430 O SER A 29 -9.626 8.323 -19.283 1.00 0.00 O ATOM 431 CB SER A 29 -8.912 6.979 -16.337 1.00 0.00 C ATOM 432 OG SER A 29 -9.783 8.074 -16.114 1.00 0.00 O ATOM 0 H SER A 29 -7.391 5.251 -17.218 1.00 0.00 H new ATOM 0 HA SER A 29 -9.887 6.133 -18.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.217 6.136 -15.717 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.900 7.248 -16.035 1.00 0.00 H new ATOM 0 HG SER A 29 -9.764 8.320 -15.165 1.00 0.00 H new ATOM 438 N PHE A 30 -7.435 8.217 -18.785 1.00 0.00 N ATOM 439 CA PHE A 30 -7.082 9.375 -19.598 1.00 0.00 C ATOM 440 C PHE A 30 -7.356 9.108 -21.075 1.00 0.00 C ATOM 441 O PHE A 30 -7.880 9.965 -21.785 1.00 0.00 O ATOM 442 CB PHE A 30 -5.608 9.735 -19.398 1.00 0.00 C ATOM 443 CG PHE A 30 -5.202 11.005 -20.091 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.946 11.015 -21.452 1.00 0.00 C ATOM 445 CD2 PHE A 30 -5.077 12.188 -19.381 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.571 12.181 -22.092 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.703 13.358 -20.015 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.451 13.354 -21.373 1.00 0.00 C ATOM 0 H PHE A 30 -6.647 7.783 -18.305 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.701 10.214 -19.278 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.408 9.833 -18.331 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.989 8.916 -19.765 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.041 10.101 -22.020 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.274 12.196 -18.319 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.372 12.175 -23.153 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.608 14.273 -19.450 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.161 14.267 -21.872 1.00 0.00 H new ATOM 458 N SER A 31 -6.997 7.911 -21.529 1.00 0.00 N ATOM 459 CA SER A 31 -7.200 7.531 -22.922 1.00 0.00 C ATOM 460 C SER A 31 -8.670 7.650 -23.310 1.00 0.00 C ATOM 461 O SER A 31 -9.009 8.265 -24.320 1.00 0.00 O ATOM 462 CB SER A 31 -6.713 6.100 -23.158 1.00 0.00 C ATOM 463 OG SER A 31 -6.305 5.915 -24.503 1.00 0.00 O ATOM 0 H SER A 31 -6.565 7.189 -20.953 1.00 0.00 H new ATOM 0 HA SER A 31 -6.622 8.212 -23.546 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.881 5.881 -22.489 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.510 5.397 -22.917 1.00 0.00 H new ATOM 0 HG SER A 31 -5.997 4.993 -24.627 1.00 0.00 H new ATOM 469 N GLU A 32 -9.540 7.056 -22.498 1.00 0.00 N ATOM 470 CA GLU A 32 -10.974 7.095 -22.756 1.00 0.00 C ATOM 471 C GLU A 32 -11.530 8.498 -22.527 1.00 0.00 C ATOM 472 O GLU A 32 -12.386 8.969 -23.278 1.00 0.00 O ATOM 473 CB GLU A 32 -11.704 6.093 -21.858 1.00 0.00 C ATOM 474 CG GLU A 32 -13.216 6.233 -21.893 1.00 0.00 C ATOM 475 CD GLU A 32 -13.929 4.903 -21.746 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.262 3.910 -21.385 1.00 0.00 O ATOM 477 OE2 GLU A 32 -15.152 4.854 -21.990 1.00 0.00 O ATOM 0 H GLU A 32 -9.276 6.543 -21.657 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.137 6.824 -23.799 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.434 5.082 -22.162 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.360 6.220 -20.832 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.534 6.902 -21.093 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.512 6.698 -22.833 1.00 0.00 H new ATOM 484 N LEU A 33 -11.040 9.160 -21.486 1.00 0.00 N ATOM 485 CA LEU A 33 -11.487 10.509 -21.157 1.00 0.00 C ATOM 486 C LEU A 33 -11.347 11.437 -22.359 1.00 0.00 C ATOM 487 O LEU A 33 -12.231 12.248 -22.635 1.00 0.00 O ATOM 488 CB LEU A 33 -10.684 11.060 -19.977 1.00 0.00 C ATOM 489 CG LEU A 33 -10.981 12.507 -19.580 1.00 0.00 C ATOM 490 CD1 LEU A 33 -11.880 12.551 -18.354 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.687 13.265 -19.323 1.00 0.00 C ATOM 0 H LEU A 33 -10.332 8.785 -20.854 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.540 10.459 -20.880 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.864 10.423 -19.111 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.624 10.980 -20.216 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.504 12.990 -20.405 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.080 13.589 -18.087 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.820 12.045 -18.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.385 12.051 -17.522 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.917 14.293 -19.042 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.137 12.782 -18.515 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.079 13.264 -20.228 1.00 0.00 H new ATOM 503 N TYR A 34 -10.233 11.311 -23.071 1.00 0.00 N ATOM 504 CA TYR A 34 -9.978 12.139 -24.244 1.00 0.00 C ATOM 505 C TYR A 34 -10.967 11.820 -25.361 1.00 0.00 C ATOM 506 O TYR A 34 -11.185 12.631 -26.262 1.00 0.00 O ATOM 507 CB TYR A 34 -8.546 11.929 -24.740 1.00 0.00 C ATOM 508 CG TYR A 34 -8.264 12.588 -26.071 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.546 13.932 -26.278 1.00 0.00 C ATOM 510 CD2 TYR A 34 -7.715 11.865 -27.123 1.00 0.00 C ATOM 511 CE1 TYR A 34 -8.291 14.537 -27.493 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.455 12.462 -28.342 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.745 13.798 -28.522 1.00 0.00 C ATOM 514 OH TYR A 34 -7.488 14.398 -29.733 1.00 0.00 O ATOM 0 H TYR A 34 -9.492 10.644 -22.857 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.107 13.182 -23.956 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.852 12.320 -23.996 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.353 10.860 -24.825 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.972 14.514 -25.475 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.487 10.818 -26.986 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.518 15.583 -27.637 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.027 11.886 -29.149 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.910 15.177 -29.596 1.00 0.00 H new ATOM 524 N ASP A 35 -11.562 10.634 -25.295 1.00 0.00 N ATOM 525 CA ASP A 35 -12.529 10.208 -26.300 1.00 0.00 C ATOM 526 C ASP A 35 -13.918 10.755 -25.984 1.00 0.00 C ATOM 527 O ASP A 35 -14.720 10.998 -26.886 1.00 0.00 O ATOM 528 CB ASP A 35 -12.575 8.681 -26.378 1.00 0.00 C ATOM 529 CG ASP A 35 -11.928 8.146 -27.640 1.00 0.00 C ATOM 530 OD1 ASP A 35 -10.682 8.183 -27.730 1.00 0.00 O ATOM 531 OD2 ASP A 35 -12.666 7.690 -28.538 1.00 0.00 O ATOM 0 H ASP A 35 -11.392 9.951 -24.557 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.213 10.605 -27.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.070 8.260 -25.508 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.612 8.349 -26.336 1.00 0.00 H new ATOM 536 N ILE A 36 -14.194 10.946 -24.698 1.00 0.00 N ATOM 537 CA ILE A 36 -15.486 11.465 -24.264 1.00 0.00 C ATOM 538 C ILE A 36 -15.459 12.986 -24.158 1.00 0.00 C ATOM 539 O ILE A 36 -16.472 13.651 -24.379 1.00 0.00 O ATOM 540 CB ILE A 36 -15.902 10.874 -22.904 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.171 11.558 -22.393 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.772 11.019 -21.896 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.692 10.975 -21.098 1.00 0.00 C ATOM 0 H ILE A 36 -13.541 10.749 -23.939 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.215 11.168 -25.018 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.112 9.812 -23.034 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.969 12.619 -22.249 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.947 11.482 -23.155 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.081 10.597 -20.940 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.891 10.490 -22.259 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.533 12.075 -21.766 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.593 11.509 -20.795 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.926 9.920 -21.242 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.933 11.076 -20.322 1.00 0.00 H new ATOM 555 N ILE A 37 -14.295 13.530 -23.820 1.00 0.00 N ATOM 556 CA ILE A 37 -14.137 14.973 -23.687 1.00 0.00 C ATOM 557 C ILE A 37 -14.468 15.685 -24.995 1.00 0.00 C ATOM 558 O ILE A 37 -14.774 16.877 -25.004 1.00 0.00 O ATOM 559 CB ILE A 37 -12.704 15.345 -23.262 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.666 16.773 -22.713 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.748 15.198 -24.436 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.527 16.838 -21.208 1.00 0.00 C ATOM 0 H ILE A 37 -13.448 12.994 -23.633 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.833 15.297 -22.913 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.387 14.663 -22.473 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.833 17.307 -23.170 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.578 17.292 -23.008 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.740 15.465 -24.120 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.758 14.166 -24.786 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.061 15.858 -25.245 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.507 17.880 -20.889 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.373 16.332 -20.742 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.601 16.348 -20.907 1.00 0.00 H new ATOM 574 N ASP A 38 -14.406 14.945 -26.096 1.00 0.00 N ATOM 575 CA ASP A 38 -14.702 15.504 -27.410 1.00 0.00 C ATOM 576 C ASP A 38 -16.205 15.682 -27.599 1.00 0.00 C ATOM 577 O ASP A 38 -16.646 16.517 -28.388 1.00 0.00 O ATOM 578 CB ASP A 38 -14.140 14.602 -28.511 1.00 0.00 C ATOM 579 CG ASP A 38 -14.594 15.026 -29.894 1.00 0.00 C ATOM 580 OD1 ASP A 38 -15.750 14.726 -30.257 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.791 15.657 -30.614 1.00 0.00 O ATOM 0 H ASP A 38 -14.154 13.957 -26.105 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.227 16.483 -27.476 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.051 14.617 -28.469 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.452 13.574 -28.329 1.00 0.00 H new ATOM 586 N GLU A 39 -16.986 14.891 -26.870 1.00 0.00 N ATOM 587 CA GLU A 39 -18.440 14.960 -26.959 1.00 0.00 C ATOM 588 C GLU A 39 -18.980 16.130 -26.141 1.00 0.00 C ATOM 589 O GLU A 39 -18.220 16.860 -25.506 1.00 0.00 O ATOM 590 CB GLU A 39 -19.066 13.652 -26.473 1.00 0.00 C ATOM 591 CG GLU A 39 -18.626 12.434 -27.268 1.00 0.00 C ATOM 592 CD GLU A 39 -18.816 11.138 -26.504 1.00 0.00 C ATOM 593 OE1 GLU A 39 -19.503 11.160 -25.461 1.00 0.00 O ATOM 594 OE2 GLU A 39 -18.278 10.103 -26.948 1.00 0.00 O ATOM 0 H GLU A 39 -16.636 14.195 -26.211 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.707 15.115 -28.004 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.808 13.503 -25.424 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -20.151 13.737 -26.526 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.191 12.389 -28.199 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.575 12.541 -27.538 1.00 0.00 H new ATOM 601 N ASN A 40 -20.297 16.301 -26.163 1.00 0.00 N ATOM 602 CA ASN A 40 -20.940 17.382 -25.425 1.00 0.00 C ATOM 603 C ASN A 40 -21.852 16.829 -24.334 1.00 0.00 C ATOM 604 O ASN A 40 -22.189 17.529 -23.378 1.00 0.00 O ATOM 605 CB ASN A 40 -21.744 18.270 -26.377 1.00 0.00 C ATOM 606 CG ASN A 40 -22.275 19.517 -25.695 1.00 0.00 C ATOM 607 OD1 ASN A 40 -23.468 19.812 -25.758 1.00 0.00 O ATOM 608 ND2 ASN A 40 -21.387 20.255 -25.039 1.00 0.00 N ATOM 0 H ASN A 40 -20.940 15.705 -26.684 1.00 0.00 H new ATOM 0 HA ASN A 40 -20.160 17.980 -24.953 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -21.114 18.559 -27.218 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -22.578 17.699 -26.785 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -21.684 21.105 -24.561 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -20.408 19.971 -25.014 1.00 0.00 H new ATOM 615 N ASP A 41 -22.248 15.570 -24.484 1.00 0.00 N ATOM 616 CA ASP A 41 -23.120 14.922 -23.512 1.00 0.00 C ATOM 617 C ASP A 41 -22.573 15.086 -22.097 1.00 0.00 C ATOM 618 O ASP A 41 -21.620 14.412 -21.706 1.00 0.00 O ATOM 619 CB ASP A 41 -23.274 13.437 -23.843 1.00 0.00 C ATOM 620 CG ASP A 41 -21.985 12.820 -24.351 1.00 0.00 C ATOM 621 OD1 ASP A 41 -20.904 13.253 -23.901 1.00 0.00 O ATOM 622 OD2 ASP A 41 -22.058 11.906 -25.198 1.00 0.00 O ATOM 0 H ASP A 41 -21.979 14.978 -25.270 1.00 0.00 H new ATOM 0 HA ASP A 41 -24.098 15.401 -23.562 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -23.603 12.902 -22.953 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -24.053 13.314 -24.595 1.00 0.00 H new ATOM 627 N THR A 42 -23.182 15.988 -21.333 1.00 0.00 N ATOM 628 CA THR A 42 -22.755 16.243 -19.963 1.00 0.00 C ATOM 629 C THR A 42 -23.399 15.258 -18.995 1.00 0.00 C ATOM 630 O THR A 42 -22.892 15.031 -17.896 1.00 0.00 O ATOM 631 CB THR A 42 -23.102 17.678 -19.525 1.00 0.00 C ATOM 632 OG1 THR A 42 -22.970 18.575 -20.633 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.197 18.131 -18.389 1.00 0.00 C ATOM 0 H THR A 42 -23.973 16.554 -21.640 1.00 0.00 H new ATOM 0 HA THR A 42 -21.673 16.116 -19.940 1.00 0.00 H new ATOM 0 HB THR A 42 -24.133 17.687 -19.173 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.194 19.485 -20.346 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.461 19.147 -18.097 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.322 17.464 -17.536 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.159 18.107 -18.719 1.00 0.00 H new ATOM 641 N ASP A 43 -24.519 14.675 -19.408 1.00 0.00 N ATOM 642 CA ASP A 43 -25.232 13.712 -18.577 1.00 0.00 C ATOM 643 C ASP A 43 -24.411 12.439 -18.394 1.00 0.00 C ATOM 644 O ASP A 43 -24.712 11.611 -17.534 1.00 0.00 O ATOM 645 CB ASP A 43 -26.588 13.374 -19.199 1.00 0.00 C ATOM 646 CG ASP A 43 -27.582 14.512 -19.073 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.531 15.438 -19.909 1.00 0.00 O ATOM 648 OD2 ASP A 43 -28.410 14.476 -18.139 1.00 0.00 O ATOM 0 H ASP A 43 -24.953 14.853 -20.314 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.393 14.163 -17.598 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.451 13.130 -20.252 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.994 12.485 -18.716 1.00 0.00 H new ATOM 653 N VAL A 44 -23.372 12.289 -19.210 1.00 0.00 N ATOM 654 CA VAL A 44 -22.507 11.117 -19.139 1.00 0.00 C ATOM 655 C VAL A 44 -21.368 11.334 -18.149 1.00 0.00 C ATOM 656 O VAL A 44 -20.804 10.379 -17.617 1.00 0.00 O ATOM 657 CB VAL A 44 -21.916 10.771 -20.518 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.080 9.503 -20.438 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.023 10.626 -21.551 1.00 0.00 C ATOM 0 H VAL A 44 -23.109 12.964 -19.928 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.126 10.287 -18.799 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.265 11.587 -20.830 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.671 9.274 -21.422 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.264 9.649 -19.731 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -21.706 8.675 -20.104 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -22.587 10.381 -22.520 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -23.702 9.829 -21.247 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.574 11.563 -21.627 1.00 0.00 H new ATOM 669 N MET A 45 -21.035 12.598 -17.907 1.00 0.00 N ATOM 670 CA MET A 45 -19.963 12.941 -16.979 1.00 0.00 C ATOM 671 C MET A 45 -20.180 12.270 -15.626 1.00 0.00 C ATOM 672 O MET A 45 -19.286 11.607 -15.101 1.00 0.00 O ATOM 673 CB MET A 45 -19.879 14.458 -16.802 1.00 0.00 C ATOM 674 CG MET A 45 -19.077 15.153 -17.890 1.00 0.00 C ATOM 675 SD MET A 45 -17.301 14.898 -17.714 1.00 0.00 S ATOM 676 CE MET A 45 -16.959 15.892 -16.263 1.00 0.00 C ATOM 0 H MET A 45 -21.491 13.401 -18.340 1.00 0.00 H new ATOM 0 HA MET A 45 -19.024 12.579 -17.397 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.888 14.870 -16.786 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.430 14.678 -15.834 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.398 14.785 -18.864 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.291 16.222 -17.867 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.399 16.781 -16.554 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.898 16.191 -15.797 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.371 15.310 -15.553 1.00 0.00 H new ATOM 686 N MET A 46 -21.373 12.449 -15.067 1.00 0.00 N ATOM 687 CA MET A 46 -21.706 11.860 -13.775 1.00 0.00 C ATOM 688 C MET A 46 -21.403 10.365 -13.765 1.00 0.00 C ATOM 689 O MET A 46 -20.784 9.854 -12.831 1.00 0.00 O ATOM 690 CB MET A 46 -23.182 12.095 -13.449 1.00 0.00 C ATOM 691 CG MET A 46 -24.126 11.674 -14.564 1.00 0.00 C ATOM 692 SD MET A 46 -25.826 12.199 -14.271 1.00 0.00 S ATOM 693 CE MET A 46 -26.252 11.189 -12.855 1.00 0.00 C ATOM 0 H MET A 46 -22.124 12.996 -15.488 1.00 0.00 H new ATOM 0 HA MET A 46 -21.092 12.342 -13.015 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.437 11.547 -12.542 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.334 13.153 -13.235 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.778 12.094 -15.508 1.00 0.00 H new ATOM 0 HG3 MET A 46 -24.098 10.589 -14.668 1.00 0.00 H new ATOM 0 HE1 MET A 46 -27.325 11.251 -12.674 1.00 0.00 H new ATOM 0 HE2 MET A 46 -25.976 10.153 -13.051 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.714 11.548 -11.977 1.00 0.00 H new ATOM 703 N ASP A 47 -21.844 9.669 -14.807 1.00 0.00 N ATOM 704 CA ASP A 47 -21.619 8.233 -14.918 1.00 0.00 C ATOM 705 C ASP A 47 -20.135 7.927 -15.096 1.00 0.00 C ATOM 706 O ASP A 47 -19.628 6.935 -14.571 1.00 0.00 O ATOM 707 CB ASP A 47 -22.414 7.660 -16.092 1.00 0.00 C ATOM 708 CG ASP A 47 -23.794 7.186 -15.680 1.00 0.00 C ATOM 709 OD1 ASP A 47 -23.942 6.713 -14.533 1.00 0.00 O ATOM 710 OD2 ASP A 47 -24.726 7.288 -16.504 1.00 0.00 O ATOM 0 H ASP A 47 -22.360 10.076 -15.587 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.960 7.765 -13.995 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.510 8.420 -16.867 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.862 6.828 -16.529 1.00 0.00 H new ATOM 715 N PHE A 48 -19.444 8.785 -15.839 1.00 0.00 N ATOM 716 CA PHE A 48 -18.018 8.606 -16.088 1.00 0.00 C ATOM 717 C PHE A 48 -17.217 8.765 -14.799 1.00 0.00 C ATOM 718 O PHE A 48 -16.268 8.020 -14.549 1.00 0.00 O ATOM 719 CB PHE A 48 -17.530 9.612 -17.132 1.00 0.00 C ATOM 720 CG PHE A 48 -16.035 9.666 -17.259 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.290 10.527 -16.468 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.374 8.857 -18.169 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.914 10.579 -16.584 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.997 8.905 -18.289 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.267 9.766 -17.494 1.00 0.00 C ATOM 0 H PHE A 48 -19.848 9.611 -16.279 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.865 7.596 -16.468 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.960 9.356 -18.100 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.901 10.603 -16.871 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.790 11.164 -15.754 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.941 8.181 -18.792 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.345 11.255 -15.963 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.494 8.270 -19.003 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.191 9.804 -17.584 1.00 0.00 H new ATOM 735 N ILE A 49 -17.606 9.739 -13.984 1.00 0.00 N ATOM 736 CA ILE A 49 -16.925 9.996 -12.721 1.00 0.00 C ATOM 737 C ILE A 49 -17.257 8.922 -11.690 1.00 0.00 C ATOM 738 O ILE A 49 -16.401 8.517 -10.904 1.00 0.00 O ATOM 739 CB ILE A 49 -17.302 11.375 -12.148 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.921 12.482 -13.134 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.620 11.596 -10.806 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.890 13.643 -13.144 1.00 0.00 C ATOM 0 H ILE A 49 -18.389 10.364 -14.176 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.855 9.979 -12.930 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.381 11.406 -11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.926 12.852 -12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.863 12.059 -14.137 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.896 12.575 -10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.936 10.823 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.539 11.549 -10.935 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.557 14.389 -13.866 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.882 13.287 -13.422 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.931 14.091 -12.151 1.00 0.00 H new ATOM 754 N SER A 50 -18.505 8.465 -11.700 1.00 0.00 N ATOM 755 CA SER A 50 -18.951 7.440 -10.764 1.00 0.00 C ATOM 756 C SER A 50 -18.444 6.063 -11.184 1.00 0.00 C ATOM 757 O SER A 50 -18.299 5.164 -10.356 1.00 0.00 O ATOM 758 CB SER A 50 -20.478 7.429 -10.676 1.00 0.00 C ATOM 759 OG SER A 50 -20.922 6.590 -9.624 1.00 0.00 O ATOM 0 H SER A 50 -19.225 8.788 -12.346 1.00 0.00 H new ATOM 0 HA SER A 50 -18.540 7.676 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.843 8.443 -10.515 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.897 7.085 -11.621 1.00 0.00 H new ATOM 0 HG SER A 50 -21.901 6.601 -9.588 1.00 0.00 H new ATOM 765 N ARG A 51 -18.177 5.908 -12.477 1.00 0.00 N ATOM 766 CA ARG A 51 -17.688 4.641 -13.009 1.00 0.00 C ATOM 767 C ARG A 51 -16.182 4.510 -12.801 1.00 0.00 C ATOM 768 O ARG A 51 -15.694 3.468 -12.361 1.00 0.00 O ATOM 769 CB ARG A 51 -18.021 4.527 -14.497 1.00 0.00 C ATOM 770 CG ARG A 51 -17.529 3.237 -15.134 1.00 0.00 C ATOM 771 CD ARG A 51 -17.543 3.324 -16.652 1.00 0.00 C ATOM 772 NE ARG A 51 -18.830 3.790 -17.161 1.00 0.00 N ATOM 773 CZ ARG A 51 -19.897 3.008 -17.289 1.00 0.00 C ATOM 774 NH1 ARG A 51 -19.830 1.729 -16.946 1.00 0.00 N ATOM 775 NH2 ARG A 51 -21.033 3.506 -17.760 1.00 0.00 N ATOM 0 H ARG A 51 -18.291 6.643 -13.175 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.183 3.833 -12.470 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -19.101 4.597 -14.625 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.582 5.374 -15.025 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.517 3.023 -14.790 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -18.158 2.407 -14.810 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.755 4.001 -16.984 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -17.320 2.344 -17.073 1.00 0.00 H new ATOM 0 HE ARG A 51 -18.915 4.769 -17.433 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.958 1.343 -16.583 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -20.650 1.131 -17.045 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -21.088 4.490 -18.024 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -21.851 2.905 -17.858 1.00 0.00 H new ATOM 789 N PHE A 52 -15.451 5.572 -13.121 1.00 0.00 N ATOM 790 CA PHE A 52 -14.000 5.575 -12.971 1.00 0.00 C ATOM 791 C PHE A 52 -13.603 5.862 -11.526 1.00 0.00 C ATOM 792 O PHE A 52 -12.806 5.135 -10.934 1.00 0.00 O ATOM 793 CB PHE A 52 -13.373 6.616 -13.901 1.00 0.00 C ATOM 794 CG PHE A 52 -12.965 6.059 -15.235 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.858 5.233 -15.347 1.00 0.00 C ATOM 796 CD2 PHE A 52 -13.688 6.363 -16.377 1.00 0.00 C ATOM 797 CE1 PHE A 52 -11.480 4.719 -16.573 1.00 0.00 C ATOM 798 CE2 PHE A 52 -13.315 5.851 -17.606 1.00 0.00 C ATOM 799 CZ PHE A 52 -12.209 5.030 -17.704 1.00 0.00 C ATOM 0 H PHE A 52 -15.839 6.442 -13.486 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.629 4.586 -13.241 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.084 7.427 -14.057 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.499 7.048 -13.414 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.284 4.988 -14.466 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.552 7.007 -16.307 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.616 4.075 -16.646 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.888 6.093 -18.489 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.915 4.632 -18.664 1.00 0.00 H new ATOM 809 N ALA A 53 -14.165 6.928 -10.965 1.00 0.00 N ATOM 810 CA ALA A 53 -13.872 7.311 -9.590 1.00 0.00 C ATOM 811 C ALA A 53 -14.848 6.658 -8.618 1.00 0.00 C ATOM 812 O ALA A 53 -16.055 6.630 -8.861 1.00 0.00 O ATOM 813 CB ALA A 53 -13.911 8.825 -9.444 1.00 0.00 C ATOM 0 H ALA A 53 -14.826 7.541 -11.442 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.869 6.960 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.690 9.097 -8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.168 9.273 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.902 9.191 -9.712 1.00 0.00 H new ATOM 819 N ARG A 54 -14.319 6.134 -7.517 1.00 0.00 N ATOM 820 CA ARG A 54 -15.145 5.480 -6.509 1.00 0.00 C ATOM 821 C ARG A 54 -15.084 6.233 -5.183 1.00 0.00 C ATOM 822 O ARG A 54 -16.009 6.163 -4.374 1.00 0.00 O ATOM 823 CB ARG A 54 -14.690 4.033 -6.308 1.00 0.00 C ATOM 824 CG ARG A 54 -15.718 3.164 -5.602 1.00 0.00 C ATOM 825 CD ARG A 54 -15.582 1.704 -6.002 1.00 0.00 C ATOM 826 NE ARG A 54 -15.189 0.862 -4.875 1.00 0.00 N ATOM 827 CZ ARG A 54 -13.940 0.762 -4.432 1.00 0.00 C ATOM 828 NH1 ARG A 54 -12.969 1.448 -5.018 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.662 -0.025 -3.401 1.00 0.00 N ATOM 0 H ARG A 54 -13.322 6.150 -7.300 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.176 5.484 -6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.462 3.595 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.765 4.029 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.597 3.259 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.721 3.516 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.530 1.349 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.842 1.613 -6.797 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.913 0.321 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.180 2.054 -5.811 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.011 1.370 -4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.407 -0.554 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.703 -0.101 -3.062 1.00 0.00 H new ATOM 843 N THR A 55 -13.987 6.953 -4.968 1.00 0.00 N ATOM 844 CA THR A 55 -13.804 7.717 -3.740 1.00 0.00 C ATOM 845 C THR A 55 -14.067 6.855 -2.511 1.00 0.00 C ATOM 846 O THR A 55 -14.509 7.352 -1.475 1.00 0.00 O ATOM 847 CB THR A 55 -14.733 8.945 -3.700 1.00 0.00 C ATOM 848 OG1 THR A 55 -16.068 8.540 -3.378 1.00 0.00 O ATOM 849 CG2 THR A 55 -14.726 9.673 -5.035 1.00 0.00 C ATOM 0 H THR A 55 -13.212 7.023 -5.628 1.00 0.00 H new ATOM 0 HA THR A 55 -12.767 8.053 -3.729 1.00 0.00 H new ATOM 0 HB THR A 55 -14.366 9.625 -2.932 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.209 7.615 -3.670 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.389 10.536 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.714 10.007 -5.262 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.070 8.999 -5.819 1.00 0.00 H new ATOM 857 N ASP A 56 -13.790 5.561 -2.632 1.00 0.00 N ATOM 858 CA ASP A 56 -13.995 4.629 -1.529 1.00 0.00 C ATOM 859 C ASP A 56 -12.686 3.946 -1.144 1.00 0.00 C ATOM 860 O ASP A 56 -12.469 3.610 0.019 1.00 0.00 O ATOM 861 CB ASP A 56 -15.041 3.579 -1.908 1.00 0.00 C ATOM 862 CG ASP A 56 -15.779 3.036 -0.700 1.00 0.00 C ATOM 863 OD1 ASP A 56 -16.702 3.722 -0.212 1.00 0.00 O ATOM 864 OD2 ASP A 56 -15.435 1.926 -0.243 1.00 0.00 O ATOM 0 H ASP A 56 -13.423 5.134 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.355 5.195 -0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.758 4.018 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.553 2.757 -2.432 1.00 0.00 H new ATOM 869 N GLU A 57 -11.818 3.744 -2.131 1.00 0.00 N ATOM 870 CA GLU A 57 -10.532 3.099 -1.895 1.00 0.00 C ATOM 871 C GLU A 57 -9.791 3.767 -0.740 1.00 0.00 C ATOM 872 O GLU A 57 -9.321 4.899 -0.863 1.00 0.00 O ATOM 873 CB GLU A 57 -9.673 3.145 -3.161 1.00 0.00 C ATOM 874 CG GLU A 57 -8.707 1.979 -3.284 1.00 0.00 C ATOM 875 CD GLU A 57 -8.362 1.657 -4.725 1.00 0.00 C ATOM 876 OE1 GLU A 57 -8.248 2.601 -5.534 1.00 0.00 O ATOM 877 OE2 GLU A 57 -8.206 0.459 -5.044 1.00 0.00 O ATOM 0 H GLU A 57 -11.982 4.017 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.720 2.059 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.327 3.158 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.108 4.077 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.792 2.211 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.144 1.098 -2.814 1.00 0.00 H new ATOM 884 N ILE A 58 -9.693 3.060 0.380 1.00 0.00 N ATOM 885 CA ILE A 58 -9.010 3.584 1.556 1.00 0.00 C ATOM 886 C ILE A 58 -7.501 3.629 1.341 1.00 0.00 C ATOM 887 O ILE A 58 -6.941 2.799 0.627 1.00 0.00 O ATOM 888 CB ILE A 58 -9.314 2.739 2.807 1.00 0.00 C ATOM 889 CG1 ILE A 58 -8.685 3.378 4.047 1.00 0.00 C ATOM 890 CG2 ILE A 58 -8.806 1.317 2.622 1.00 0.00 C ATOM 891 CD1 ILE A 58 -9.541 3.261 5.288 1.00 0.00 C ATOM 0 H ILE A 58 -10.078 2.123 0.498 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.383 4.596 1.712 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.394 2.703 2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.719 2.910 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.494 4.432 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -9.028 0.732 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.297 0.865 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.728 1.334 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.032 3.736 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.498 3.754 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.711 2.209 5.515 1.00 0.00 H new ATOM 903 N MET A 59 -6.849 4.604 1.966 1.00 0.00 N ATOM 904 CA MET A 59 -5.403 4.755 1.845 1.00 0.00 C ATOM 905 C MET A 59 -4.719 4.527 3.189 1.00 0.00 C ATOM 906 O MET A 59 -4.205 5.454 3.817 1.00 0.00 O ATOM 907 CB MET A 59 -5.058 6.147 1.314 1.00 0.00 C ATOM 908 CG MET A 59 -3.564 6.387 1.162 1.00 0.00 C ATOM 909 SD MET A 59 -3.164 7.385 -0.285 1.00 0.00 S ATOM 910 CE MET A 59 -3.824 8.975 0.208 1.00 0.00 C ATOM 0 H MET A 59 -7.298 5.301 2.561 1.00 0.00 H new ATOM 0 HA MET A 59 -5.041 4.005 1.141 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.540 6.288 0.347 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.471 6.897 1.989 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.187 6.883 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.051 5.428 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.653 9.702 -0.586 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.894 8.883 0.392 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.327 9.309 1.119 1.00 0.00 H new ATOM 920 N PRO A 60 -4.710 3.265 3.644 1.00 0.00 N ATOM 921 CA PRO A 60 -4.092 2.887 4.918 1.00 0.00 C ATOM 922 C PRO A 60 -2.571 2.985 4.876 1.00 0.00 C ATOM 923 O PRO A 60 -1.932 3.289 5.882 1.00 0.00 O ATOM 924 CB PRO A 60 -4.528 1.432 5.106 1.00 0.00 C ATOM 925 CG PRO A 60 -4.786 0.932 3.726 1.00 0.00 C ATOM 926 CD PRO A 60 -5.304 2.111 2.949 1.00 0.00 C ATOM 0 HA PRO A 60 -4.397 3.547 5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.752 0.847 5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.422 1.364 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.874 0.538 3.277 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.513 0.120 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.997 2.070 1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.393 2.152 2.960 1.00 0.00 H new ATOM 934 N GLU A 61 -1.998 2.726 3.704 1.00 0.00 N ATOM 935 CA GLU A 61 -0.551 2.785 3.533 1.00 0.00 C ATOM 936 C GLU A 61 -0.187 3.068 2.078 1.00 0.00 C ATOM 937 O GLU A 61 0.925 2.775 1.637 1.00 0.00 O ATOM 938 CB GLU A 61 0.093 1.474 3.986 1.00 0.00 C ATOM 939 CG GLU A 61 0.433 1.442 5.466 1.00 0.00 C ATOM 940 CD GLU A 61 1.396 0.325 5.820 1.00 0.00 C ATOM 941 OE1 GLU A 61 0.984 -0.852 5.768 1.00 0.00 O ATOM 942 OE2 GLU A 61 2.561 0.630 6.150 1.00 0.00 O ATOM 0 H GLU A 61 -2.513 2.474 2.861 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.171 3.599 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.583 0.650 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.003 1.308 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.869 2.398 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.484 1.322 6.043 1.00 0.00 H new ATOM 949 N ASP A 62 -1.131 3.637 1.338 1.00 0.00 N ATOM 950 CA ASP A 62 -0.911 3.960 -0.067 1.00 0.00 C ATOM 951 C ASP A 62 -0.405 5.391 -0.224 1.00 0.00 C ATOM 952 O ASP A 62 -0.482 6.193 0.707 1.00 0.00 O ATOM 953 CB ASP A 62 -2.203 3.773 -0.864 1.00 0.00 C ATOM 954 CG ASP A 62 -2.993 2.561 -0.410 1.00 0.00 C ATOM 955 OD1 ASP A 62 -2.366 1.570 0.019 1.00 0.00 O ATOM 956 OD2 ASP A 62 -4.239 2.604 -0.483 1.00 0.00 O ATOM 0 H ASP A 62 -2.057 3.884 1.687 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.152 3.281 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.821 4.665 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.962 3.671 -1.922 1.00 0.00 H new ATOM 961 N LYS A 63 0.113 5.704 -1.406 1.00 0.00 N ATOM 962 CA LYS A 63 0.632 7.037 -1.686 1.00 0.00 C ATOM 963 C LYS A 63 0.078 7.571 -3.003 1.00 0.00 C ATOM 964 O LYS A 63 -0.677 6.887 -3.695 1.00 0.00 O ATOM 965 CB LYS A 63 2.161 7.011 -1.737 1.00 0.00 C ATOM 966 CG LYS A 63 2.811 8.244 -1.133 1.00 0.00 C ATOM 967 CD LYS A 63 4.229 7.957 -0.670 1.00 0.00 C ATOM 968 CE LYS A 63 5.238 8.200 -1.782 1.00 0.00 C ATOM 969 NZ LYS A 63 6.617 8.385 -1.249 1.00 0.00 N ATOM 0 H LYS A 63 0.185 5.052 -2.187 1.00 0.00 H new ATOM 0 HA LYS A 63 0.313 7.700 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.519 6.127 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.480 6.914 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.823 9.047 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.216 8.594 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.469 8.589 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.300 6.923 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.226 7.358 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.947 9.083 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.275 8.548 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.635 9.204 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.905 7.532 -0.728 1.00 0.00 H new ATOM 983 N THR A 64 0.459 8.798 -3.346 1.00 0.00 N ATOM 984 CA THR A 64 0.000 9.424 -4.580 1.00 0.00 C ATOM 985 C THR A 64 1.088 9.396 -5.648 1.00 0.00 C ATOM 986 O THR A 64 2.207 9.858 -5.421 1.00 0.00 O ATOM 987 CB THR A 64 -0.433 10.883 -4.343 1.00 0.00 C ATOM 988 OG1 THR A 64 -1.174 10.981 -3.121 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.282 11.390 -5.499 1.00 0.00 C ATOM 0 H THR A 64 1.084 9.378 -2.786 1.00 0.00 H new ATOM 0 HA THR A 64 -0.860 8.849 -4.925 1.00 0.00 H new ATOM 0 HB THR A 64 0.464 11.499 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.444 11.912 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.576 12.422 -5.309 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.706 11.341 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.174 10.771 -5.595 1.00 0.00 H new ATOM 997 N VAL A 65 0.754 8.852 -6.813 1.00 0.00 N ATOM 998 CA VAL A 65 1.702 8.766 -7.917 1.00 0.00 C ATOM 999 C VAL A 65 1.752 10.073 -8.702 1.00 0.00 C ATOM 1000 O VAL A 65 2.730 10.358 -9.391 1.00 0.00 O ATOM 1001 CB VAL A 65 1.343 7.617 -8.878 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.008 7.885 -9.556 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.444 7.421 -9.909 1.00 0.00 C ATOM 0 H VAL A 65 -0.167 8.464 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 65 2.681 8.571 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 65 1.251 6.698 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.229 7.063 -10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.773 7.971 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.068 8.814 -10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.174 6.605 -10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.570 8.338 -10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.378 7.179 -9.402 1.00 0.00 H new ATOM 1013 N GLY A 66 0.690 10.865 -8.591 1.00 0.00 N ATOM 1014 CA GLY A 66 0.633 12.132 -9.295 1.00 0.00 C ATOM 1015 C GLY A 66 -0.789 12.606 -9.522 1.00 0.00 C ATOM 1016 O GLY A 66 -1.734 12.048 -8.963 1.00 0.00 O ATOM 0 H GLY A 66 -0.132 10.651 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.177 12.885 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.137 12.033 -10.256 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.943 13.639 -10.344 1.00 0.00 N ATOM 1021 CA PHE A 67 -2.260 14.189 -10.642 1.00 0.00 C ATOM 1022 C PHE A 67 -2.295 14.786 -12.046 1.00 0.00 C ATOM 1023 O PHE A 67 -1.254 15.081 -12.633 1.00 0.00 O ATOM 1024 CB PHE A 67 -2.635 15.256 -9.612 1.00 0.00 C ATOM 1025 CG PHE A 67 -1.641 16.379 -9.524 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -0.543 16.285 -8.685 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -1.806 17.529 -10.280 1.00 0.00 C ATOM 1028 CE1 PHE A 67 0.373 17.318 -8.601 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -0.894 18.564 -10.201 1.00 0.00 C ATOM 1030 CZ PHE A 67 0.197 18.458 -9.361 1.00 0.00 C ATOM 0 H PHE A 67 -0.172 14.112 -10.815 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.985 13.377 -10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.613 15.666 -9.865 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.729 14.787 -8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.400 15.395 -8.090 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.657 17.617 -10.939 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.225 17.233 -7.942 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.034 19.455 -10.795 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.912 19.265 -9.298 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.500 14.960 -12.579 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.672 15.522 -13.913 1.00 0.00 C ATOM 1042 C VAL A 68 -4.712 16.637 -13.910 1.00 0.00 C ATOM 1043 O VAL A 68 -5.802 16.483 -13.357 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.096 14.442 -14.927 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.390 15.068 -16.282 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.020 13.373 -15.046 1.00 0.00 C ATOM 0 H VAL A 68 -4.372 14.720 -12.107 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.706 15.931 -14.211 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.009 13.968 -14.567 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.688 14.290 -16.985 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.197 15.794 -16.180 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.496 15.569 -16.653 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.335 12.618 -15.766 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.089 13.829 -15.383 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.863 12.905 -14.074 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.370 17.760 -14.532 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.274 18.902 -14.603 1.00 0.00 C ATOM 1058 C VAL A 69 -5.902 19.021 -15.987 1.00 0.00 C ATOM 1059 O VAL A 69 -5.199 19.071 -16.997 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.546 20.217 -14.266 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.535 21.370 -14.189 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.772 20.079 -12.964 1.00 0.00 C ATOM 0 H VAL A 69 -3.472 17.904 -14.995 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.058 18.731 -13.865 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.835 20.433 -15.063 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.003 22.291 -13.950 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.040 21.481 -15.149 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.273 21.165 -13.413 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.264 21.017 -12.742 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.461 19.839 -12.155 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.035 19.282 -13.062 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.230 19.066 -16.027 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.953 19.181 -17.288 1.00 0.00 C ATOM 1074 C VAL A 70 -9.133 20.137 -17.159 1.00 0.00 C ATOM 1075 O VAL A 70 -10.010 19.947 -16.318 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.466 17.810 -17.768 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.268 17.960 -19.051 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.306 16.846 -17.963 1.00 0.00 C ATOM 0 H VAL A 70 -7.827 19.025 -15.201 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.250 19.574 -18.022 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.124 17.399 -17.003 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.622 16.981 -19.375 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.121 18.614 -18.872 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.636 18.392 -19.827 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.687 15.883 -18.302 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.620 17.248 -18.709 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.779 16.715 -17.018 1.00 0.00 H new ATOM 1088 N ASN A 71 -9.149 21.166 -18.000 1.00 0.00 N ATOM 1089 CA ASN A 71 -10.222 22.153 -17.981 1.00 0.00 C ATOM 1090 C ASN A 71 -10.642 22.529 -19.399 1.00 0.00 C ATOM 1091 O ASN A 71 -9.838 23.034 -20.181 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.779 23.404 -17.220 1.00 0.00 C ATOM 1093 CG ASN A 71 -10.899 24.414 -17.065 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -12.030 24.174 -17.490 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -10.590 25.552 -16.453 1.00 0.00 N ATOM 0 H ASN A 71 -8.431 21.338 -18.703 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.079 21.711 -17.473 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.414 23.116 -16.234 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.945 23.869 -17.745 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.303 26.269 -16.319 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.640 25.709 -16.117 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.906 22.279 -19.722 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.434 22.593 -21.044 1.00 0.00 C ATOM 1104 C ALA A 72 -12.821 24.064 -21.145 1.00 0.00 C ATOM 1105 O ALA A 72 -12.839 24.638 -22.234 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.630 21.708 -21.359 1.00 0.00 C ATOM 0 H ALA A 72 -12.584 21.860 -19.086 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.650 22.399 -21.776 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.014 21.954 -22.349 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.324 20.662 -21.338 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.410 21.873 -20.616 1.00 0.00 H new ATOM 1112 N ASP A 73 -13.130 24.670 -20.003 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.516 26.075 -19.964 1.00 0.00 C ATOM 1114 C ASP A 73 -12.342 26.973 -20.341 1.00 0.00 C ATOM 1115 O ASP A 73 -12.453 27.820 -21.226 1.00 0.00 O ATOM 1116 CB ASP A 73 -14.031 26.445 -18.572 1.00 0.00 C ATOM 1117 CG ASP A 73 -14.870 27.708 -18.582 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -14.724 28.510 -19.528 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -15.673 27.895 -17.643 1.00 0.00 O ATOM 0 H ASP A 73 -13.120 24.210 -19.093 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.314 26.227 -20.691 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.625 25.621 -18.177 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.185 26.580 -17.899 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.216 26.781 -19.661 1.00 0.00 N ATOM 1125 CA LYS A 74 -10.020 27.572 -19.924 1.00 0.00 C ATOM 1126 C LYS A 74 -9.052 26.813 -20.825 1.00 0.00 C ATOM 1127 O LYS A 74 -7.946 27.279 -21.100 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.327 27.939 -18.609 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.932 29.151 -17.921 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.478 29.254 -16.474 1.00 0.00 C ATOM 1131 CE LYS A 74 -10.150 30.417 -15.761 1.00 0.00 C ATOM 1132 NZ LYS A 74 -9.929 30.369 -14.289 1.00 0.00 N ATOM 0 H LYS A 74 -11.107 26.084 -18.924 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.325 28.485 -20.435 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.375 27.086 -17.932 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.272 28.132 -18.805 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.647 30.056 -18.458 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.019 29.087 -17.959 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.707 28.325 -15.953 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.396 29.381 -16.439 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.764 31.357 -16.156 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.220 30.400 -15.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.403 31.179 -13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.320 29.484 -13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.909 30.411 -14.090 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.475 25.640 -21.284 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.648 24.816 -22.157 1.00 0.00 C ATOM 1148 C LYS A 75 -7.262 24.605 -21.555 1.00 0.00 C ATOM 1149 O LYS A 75 -6.250 24.965 -22.159 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.522 25.465 -23.537 1.00 0.00 C ATOM 1151 CG LYS A 75 -9.841 25.979 -24.090 1.00 0.00 C ATOM 1152 CD LYS A 75 -9.670 26.571 -25.479 1.00 0.00 C ATOM 1153 CE LYS A 75 -10.975 27.152 -26.001 1.00 0.00 C ATOM 1154 NZ LYS A 75 -11.301 28.454 -25.354 1.00 0.00 N ATOM 0 H LYS A 75 -10.387 25.238 -21.065 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.131 23.845 -22.262 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.816 26.293 -23.477 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.104 24.739 -24.234 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.563 25.164 -24.127 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.248 26.735 -23.419 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.908 27.350 -25.452 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.314 25.801 -26.163 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.905 27.290 -27.080 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.785 26.445 -25.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.180 28.834 -25.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.426 28.312 -24.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.525 29.127 -25.517 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.223 24.021 -20.363 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.961 23.761 -19.679 1.00 0.00 C ATOM 1170 C LEU A 76 -5.750 22.264 -19.475 1.00 0.00 C ATOM 1171 O LEU A 76 -6.571 21.591 -18.852 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.931 24.481 -18.330 1.00 0.00 C ATOM 1173 CG LEU A 76 -6.205 25.985 -18.365 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -6.938 26.423 -17.107 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.906 26.760 -18.525 1.00 0.00 C ATOM 0 H LEU A 76 -8.051 23.718 -19.850 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.153 24.141 -20.304 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.666 24.013 -17.675 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.953 24.321 -17.877 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.840 26.199 -19.224 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.124 27.496 -17.150 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.887 25.892 -17.036 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.328 26.195 -16.233 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.120 27.828 -18.548 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.246 26.540 -17.686 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.420 26.467 -19.456 1.00 0.00 H new ATOM 1187 N MET A 77 -4.643 21.750 -20.001 1.00 0.00 N ATOM 1188 CA MET A 77 -4.323 20.333 -19.873 1.00 0.00 C ATOM 1189 C MET A 77 -2.877 20.141 -19.428 1.00 0.00 C ATOM 1190 O MET A 77 -1.943 20.422 -20.180 1.00 0.00 O ATOM 1191 CB MET A 77 -4.560 19.613 -21.202 1.00 0.00 C ATOM 1192 CG MET A 77 -6.028 19.504 -21.581 1.00 0.00 C ATOM 1193 SD MET A 77 -6.632 20.965 -22.448 1.00 0.00 S ATOM 1194 CE MET A 77 -8.368 20.561 -22.625 1.00 0.00 C ATOM 0 H MET A 77 -3.953 22.293 -20.520 1.00 0.00 H new ATOM 0 HA MET A 77 -4.978 19.905 -19.114 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.028 20.142 -21.992 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.133 18.612 -21.145 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.172 18.627 -22.212 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.621 19.350 -20.680 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.948 21.479 -22.719 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.510 19.950 -23.516 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.704 20.008 -21.748 1.00 0.00 H new ATOM 1204 N SER A 78 -2.699 19.660 -18.202 1.00 0.00 N ATOM 1205 CA SER A 78 -1.366 19.434 -17.655 1.00 0.00 C ATOM 1206 C SER A 78 -1.330 18.157 -16.822 1.00 0.00 C ATOM 1207 O SER A 78 -1.887 18.101 -15.726 1.00 0.00 O ATOM 1208 CB SER A 78 -0.933 20.626 -16.801 1.00 0.00 C ATOM 1209 OG SER A 78 -1.216 21.852 -17.454 1.00 0.00 O ATOM 0 H SER A 78 -3.461 19.419 -17.568 1.00 0.00 H new ATOM 0 HA SER A 78 -0.672 19.323 -18.489 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.447 20.595 -15.841 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.135 20.559 -16.593 1.00 0.00 H new ATOM 0 HG SER A 78 -0.931 22.598 -16.886 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.670 17.131 -17.351 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.559 15.854 -16.656 1.00 0.00 C ATOM 1217 C VAL A 79 0.781 15.733 -15.938 1.00 0.00 C ATOM 1218 O VAL A 79 1.826 16.077 -16.490 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.716 14.670 -17.630 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -2.021 14.783 -18.402 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.471 14.602 -18.579 1.00 0.00 C ATOM 0 H VAL A 79 -0.204 17.160 -18.258 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.365 15.822 -15.923 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.744 13.746 -17.052 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.114 13.938 -19.085 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.858 14.780 -17.704 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.027 15.712 -18.972 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.345 13.760 -19.260 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.532 15.527 -19.152 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.388 14.470 -18.005 1.00 0.00 H new ATOM 1231 N SER A 80 0.742 15.241 -14.704 1.00 0.00 N ATOM 1232 CA SER A 80 1.953 15.077 -13.908 1.00 0.00 C ATOM 1233 C SER A 80 1.897 13.788 -13.093 1.00 0.00 C ATOM 1234 O SER A 80 1.160 13.692 -12.112 1.00 0.00 O ATOM 1235 CB SER A 80 2.141 16.276 -12.976 1.00 0.00 C ATOM 1236 OG SER A 80 2.104 17.494 -13.697 1.00 0.00 O ATOM 0 H SER A 80 -0.115 14.949 -14.234 1.00 0.00 H new ATOM 0 HA SER A 80 2.802 15.018 -14.589 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.359 16.276 -12.216 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.093 16.188 -12.453 1.00 0.00 H new ATOM 0 HG SER A 80 2.225 18.244 -13.078 1.00 0.00 H new ATOM 1242 N PHE A 81 2.683 12.800 -13.508 1.00 0.00 N ATOM 1243 CA PHE A 81 2.723 11.516 -12.819 1.00 0.00 C ATOM 1244 C PHE A 81 4.163 11.092 -12.542 1.00 0.00 C ATOM 1245 O PHE A 81 5.100 11.598 -13.159 1.00 0.00 O ATOM 1246 CB PHE A 81 2.016 10.444 -13.650 1.00 0.00 C ATOM 1247 CG PHE A 81 2.310 10.535 -15.121 1.00 0.00 C ATOM 1248 CD1 PHE A 81 3.609 10.420 -15.589 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.287 10.735 -16.034 1.00 0.00 C ATOM 1250 CE1 PHE A 81 3.882 10.503 -16.942 1.00 0.00 C ATOM 1251 CE2 PHE A 81 1.555 10.819 -17.387 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.854 10.704 -17.841 1.00 0.00 C ATOM 0 H PHE A 81 3.300 12.864 -14.317 1.00 0.00 H new ATOM 0 HA PHE A 81 2.205 11.628 -11.866 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.314 9.460 -13.288 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.940 10.528 -13.497 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.417 10.264 -14.890 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.269 10.826 -15.684 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.898 10.411 -17.295 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.749 10.974 -18.089 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.065 10.771 -18.898 1.00 0.00 H new ATOM 1262 N SER A 82 4.331 10.162 -11.608 1.00 0.00 N ATOM 1263 CA SER A 82 5.656 9.673 -11.245 1.00 0.00 C ATOM 1264 C SER A 82 6.402 9.163 -12.473 1.00 0.00 C ATOM 1265 O SER A 82 5.826 9.034 -13.554 1.00 0.00 O ATOM 1266 CB SER A 82 5.544 8.558 -10.203 1.00 0.00 C ATOM 1267 OG SER A 82 6.816 8.222 -9.677 1.00 0.00 O ATOM 0 H SER A 82 3.566 9.732 -11.089 1.00 0.00 H new ATOM 0 HA SER A 82 6.218 10.504 -10.819 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.885 8.876 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.090 7.677 -10.656 1.00 0.00 H new ATOM 0 HG SER A 82 6.717 7.509 -9.012 1.00 0.00 H new ATOM 1273 N ASP A 83 7.687 8.873 -12.300 1.00 0.00 N ATOM 1274 CA ASP A 83 8.514 8.376 -13.393 1.00 0.00 C ATOM 1275 C ASP A 83 7.893 7.132 -14.021 1.00 0.00 C ATOM 1276 O ASP A 83 7.898 6.055 -13.424 1.00 0.00 O ATOM 1277 CB ASP A 83 9.924 8.060 -12.892 1.00 0.00 C ATOM 1278 CG ASP A 83 10.952 8.083 -14.005 1.00 0.00 C ATOM 1279 OD1 ASP A 83 10.568 8.350 -15.163 1.00 0.00 O ATOM 1280 OD2 ASP A 83 12.142 7.834 -13.719 1.00 0.00 O ATOM 0 H ASP A 83 8.179 8.974 -11.412 1.00 0.00 H new ATOM 0 HA ASP A 83 8.574 9.154 -14.154 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.205 8.783 -12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.927 7.078 -12.419 1.00 0.00 H new ATOM 1285 N ILE A 84 7.358 7.288 -15.227 1.00 0.00 N ATOM 1286 CA ILE A 84 6.734 6.178 -15.935 1.00 0.00 C ATOM 1287 C ILE A 84 7.746 5.445 -16.810 1.00 0.00 C ATOM 1288 O ILE A 84 8.930 5.781 -16.822 1.00 0.00 O ATOM 1289 CB ILE A 84 5.564 6.657 -16.815 1.00 0.00 C ATOM 1290 CG1 ILE A 84 6.038 7.744 -17.783 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.426 7.173 -15.948 1.00 0.00 C ATOM 1292 CD1 ILE A 84 4.990 8.148 -18.797 1.00 0.00 C ATOM 0 H ILE A 84 7.344 8.173 -15.734 1.00 0.00 H new ATOM 0 HA ILE A 84 6.351 5.496 -15.176 1.00 0.00 H new ATOM 0 HB ILE A 84 5.197 5.812 -17.397 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.337 8.623 -17.212 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.924 7.389 -18.310 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.607 7.508 -16.584 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.075 6.374 -15.295 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.779 8.008 -15.342 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.394 8.921 -19.450 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.708 7.281 -19.394 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.112 8.533 -18.279 1.00 0.00 H new ATOM 1304 N ASP A 85 7.271 4.443 -17.541 1.00 0.00 N ATOM 1305 CA ASP A 85 8.133 3.663 -18.422 1.00 0.00 C ATOM 1306 C ASP A 85 8.396 4.410 -19.726 1.00 0.00 C ATOM 1307 O ASP A 85 7.872 5.502 -19.943 1.00 0.00 O ATOM 1308 CB ASP A 85 7.500 2.303 -18.717 1.00 0.00 C ATOM 1309 CG ASP A 85 8.505 1.170 -18.650 1.00 0.00 C ATOM 1310 OD1 ASP A 85 8.904 0.797 -17.527 1.00 0.00 O ATOM 1311 OD2 ASP A 85 8.893 0.655 -19.720 1.00 0.00 O ATOM 0 H ASP A 85 6.294 4.151 -17.541 1.00 0.00 H new ATOM 0 HA ASP A 85 9.085 3.509 -17.915 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.698 2.116 -18.003 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.046 2.324 -19.708 1.00 0.00 H new ATOM 1316 N GLU A 86 9.212 3.814 -20.589 1.00 0.00 N ATOM 1317 CA GLU A 86 9.546 4.425 -21.871 1.00 0.00 C ATOM 1318 C GLU A 86 8.381 4.307 -22.849 1.00 0.00 C ATOM 1319 O GLU A 86 7.852 5.311 -23.324 1.00 0.00 O ATOM 1320 CB GLU A 86 10.793 3.767 -22.465 1.00 0.00 C ATOM 1321 CG GLU A 86 11.883 3.494 -21.442 1.00 0.00 C ATOM 1322 CD GLU A 86 12.329 4.748 -20.715 1.00 0.00 C ATOM 1323 OE1 GLU A 86 11.607 5.189 -19.796 1.00 0.00 O ATOM 1324 OE2 GLU A 86 13.399 5.288 -21.065 1.00 0.00 O ATOM 0 H GLU A 86 9.654 2.910 -20.425 1.00 0.00 H new ATOM 0 HA GLU A 86 9.749 5.482 -21.699 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.507 2.828 -22.938 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.194 4.410 -23.248 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.520 2.767 -20.715 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.741 3.044 -21.942 1.00 0.00 H new ATOM 1331 N ASN A 87 7.987 3.073 -23.145 1.00 0.00 N ATOM 1332 CA ASN A 87 6.885 2.823 -24.067 1.00 0.00 C ATOM 1333 C ASN A 87 5.635 3.586 -23.641 1.00 0.00 C ATOM 1334 O ASN A 87 4.985 4.238 -24.458 1.00 0.00 O ATOM 1335 CB ASN A 87 6.582 1.325 -24.139 1.00 0.00 C ATOM 1336 CG ASN A 87 6.042 0.908 -25.493 1.00 0.00 C ATOM 1337 OD1 ASN A 87 4.887 0.498 -25.614 1.00 0.00 O ATOM 1338 ND2 ASN A 87 6.877 1.011 -26.520 1.00 0.00 N ATOM 0 H ASN A 87 8.414 2.231 -22.760 1.00 0.00 H new ATOM 0 HA ASN A 87 7.184 3.174 -25.055 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.491 0.763 -23.925 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.858 1.066 -23.367 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.570 0.745 -27.456 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.826 1.356 -26.373 1.00 0.00 H new ATOM 1345 N MET A 88 5.305 3.500 -22.356 1.00 0.00 N ATOM 1346 CA MET A 88 4.133 4.184 -21.821 1.00 0.00 C ATOM 1347 C MET A 88 4.212 5.685 -22.085 1.00 0.00 C ATOM 1348 O MET A 88 3.207 6.325 -22.393 1.00 0.00 O ATOM 1349 CB MET A 88 4.007 3.925 -20.319 1.00 0.00 C ATOM 1350 CG MET A 88 2.951 2.890 -19.968 1.00 0.00 C ATOM 1351 SD MET A 88 3.333 1.256 -20.628 1.00 0.00 S ATOM 1352 CE MET A 88 2.460 1.310 -22.191 1.00 0.00 C ATOM 0 H MET A 88 5.832 2.964 -21.667 1.00 0.00 H new ATOM 0 HA MET A 88 3.251 3.790 -22.326 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.971 3.594 -19.934 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.767 4.862 -19.816 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.856 2.827 -18.884 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.985 3.217 -20.354 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.047 0.326 -22.411 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.651 2.038 -22.131 1.00 0.00 H new ATOM 0 HE3 MET A 88 3.150 1.599 -22.983 1.00 0.00 H new ATOM 1362 N LYS A 89 5.413 6.240 -21.963 1.00 0.00 N ATOM 1363 CA LYS A 89 5.624 7.665 -22.190 1.00 0.00 C ATOM 1364 C LYS A 89 5.161 8.068 -23.586 1.00 0.00 C ATOM 1365 O LYS A 89 4.567 9.131 -23.771 1.00 0.00 O ATOM 1366 CB LYS A 89 7.103 8.017 -22.009 1.00 0.00 C ATOM 1367 CG LYS A 89 7.383 9.509 -22.060 1.00 0.00 C ATOM 1368 CD LYS A 89 8.846 9.792 -22.353 1.00 0.00 C ATOM 1369 CE LYS A 89 9.032 11.159 -22.994 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.472 11.511 -23.143 1.00 0.00 N ATOM 0 H LYS A 89 6.255 5.725 -21.708 1.00 0.00 H new ATOM 0 HA LYS A 89 5.033 8.216 -21.458 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.447 7.624 -21.053 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.684 7.520 -22.786 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.761 9.971 -22.827 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.107 9.965 -21.109 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.420 9.742 -21.428 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.241 9.022 -23.015 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.553 11.169 -23.973 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.534 11.915 -22.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.556 12.449 -23.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.924 11.526 -22.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.942 10.803 -23.743 1.00 0.00 H new ATOM 1384 N LYS A 90 5.436 7.214 -24.565 1.00 0.00 N ATOM 1385 CA LYS A 90 5.045 7.479 -25.945 1.00 0.00 C ATOM 1386 C LYS A 90 3.530 7.612 -26.066 1.00 0.00 C ATOM 1387 O LYS A 90 3.023 8.617 -26.563 1.00 0.00 O ATOM 1388 CB LYS A 90 5.544 6.360 -26.862 1.00 0.00 C ATOM 1389 CG LYS A 90 5.558 6.740 -28.333 1.00 0.00 C ATOM 1390 CD LYS A 90 5.436 5.517 -29.226 1.00 0.00 C ATOM 1391 CE LYS A 90 5.070 5.902 -30.651 1.00 0.00 C ATOM 1392 NZ LYS A 90 3.610 6.161 -30.798 1.00 0.00 N ATOM 0 H LYS A 90 5.929 6.331 -24.429 1.00 0.00 H new ATOM 0 HA LYS A 90 5.500 8.421 -26.250 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.552 6.076 -26.559 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.911 5.483 -26.728 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.737 7.426 -28.540 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.482 7.270 -28.564 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.379 4.970 -29.226 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.678 4.845 -28.823 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.628 6.792 -30.941 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.368 5.104 -31.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.401 6.420 -31.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.078 5.304 -30.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.330 6.940 -30.168 1.00 0.00 H new ATOM 1406 N VAL A 91 2.813 6.591 -25.606 1.00 0.00 N ATOM 1407 CA VAL A 91 1.356 6.595 -25.660 1.00 0.00 C ATOM 1408 C VAL A 91 0.781 7.785 -24.900 1.00 0.00 C ATOM 1409 O VAL A 91 0.026 8.583 -25.456 1.00 0.00 O ATOM 1410 CB VAL A 91 0.769 5.296 -25.077 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.746 5.286 -25.214 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.382 4.082 -25.759 1.00 0.00 C ATOM 0 H VAL A 91 3.218 5.751 -25.192 1.00 0.00 H new ATOM 0 HA VAL A 91 1.079 6.671 -26.711 1.00 0.00 H new ATOM 0 HB VAL A 91 1.014 5.251 -24.016 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.143 4.361 -24.797 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.166 6.136 -24.676 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.017 5.354 -26.268 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.956 3.173 -25.335 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.169 4.119 -26.827 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.461 4.084 -25.604 1.00 0.00 H new ATOM 1422 N ILE A 92 1.144 7.899 -23.627 1.00 0.00 N ATOM 1423 CA ILE A 92 0.666 8.993 -22.791 1.00 0.00 C ATOM 1424 C ILE A 92 0.950 10.344 -23.438 1.00 0.00 C ATOM 1425 O ILE A 92 0.103 11.238 -23.434 1.00 0.00 O ATOM 1426 CB ILE A 92 1.313 8.959 -21.394 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.992 7.639 -20.691 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.837 10.139 -20.561 1.00 0.00 C ATOM 1429 CD1 ILE A 92 2.120 7.126 -19.823 1.00 0.00 C ATOM 0 H ILE A 92 1.768 7.247 -23.152 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.411 8.862 -22.686 1.00 0.00 H new ATOM 0 HB ILE A 92 2.394 9.034 -21.509 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.102 7.772 -20.075 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.751 6.886 -21.442 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.303 10.101 -19.576 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.113 11.069 -21.057 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.247 10.094 -20.451 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.822 6.187 -19.356 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.005 6.961 -20.437 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.347 7.860 -19.050 1.00 0.00 H new ATOM 1441 N LYS A 93 2.147 10.486 -23.996 1.00 0.00 N ATOM 1442 CA LYS A 93 2.544 11.727 -24.651 1.00 0.00 C ATOM 1443 C LYS A 93 1.644 12.024 -25.846 1.00 0.00 C ATOM 1444 O LYS A 93 1.244 13.167 -26.065 1.00 0.00 O ATOM 1445 CB LYS A 93 4.003 11.643 -25.107 1.00 0.00 C ATOM 1446 CG LYS A 93 4.505 12.912 -25.774 1.00 0.00 C ATOM 1447 CD LYS A 93 4.631 14.053 -24.779 1.00 0.00 C ATOM 1448 CE LYS A 93 5.948 13.989 -24.021 1.00 0.00 C ATOM 1449 NZ LYS A 93 5.862 13.094 -22.835 1.00 0.00 N ATOM 0 H LYS A 93 2.860 9.757 -24.008 1.00 0.00 H new ATOM 0 HA LYS A 93 2.441 12.538 -23.930 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.632 11.422 -24.245 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.111 10.810 -25.802 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.474 12.722 -26.236 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.821 13.199 -26.573 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.558 15.005 -25.305 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.801 14.015 -24.073 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.734 13.634 -24.688 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.231 14.991 -23.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.336 13.544 -22.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.863 12.923 -22.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.327 12.189 -23.049 1.00 0.00 H new ATOM 1463 N ALA A 94 1.327 10.987 -26.614 1.00 0.00 N ATOM 1464 CA ALA A 94 0.470 11.136 -27.784 1.00 0.00 C ATOM 1465 C ALA A 94 -0.934 11.575 -27.384 1.00 0.00 C ATOM 1466 O ALA A 94 -1.478 12.533 -27.935 1.00 0.00 O ATOM 1467 CB ALA A 94 0.415 9.834 -28.568 1.00 0.00 C ATOM 0 H ALA A 94 1.651 10.034 -26.447 1.00 0.00 H new ATOM 0 HA ALA A 94 0.897 11.912 -28.420 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.229 9.960 -29.439 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.419 9.564 -28.895 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.015 9.044 -27.933 1.00 0.00 H new ATOM 1473 N THR A 95 -1.518 10.868 -26.421 1.00 0.00 N ATOM 1474 CA THR A 95 -2.861 11.183 -25.949 1.00 0.00 C ATOM 1475 C THR A 95 -2.923 12.592 -25.370 1.00 0.00 C ATOM 1476 O THR A 95 -3.809 13.374 -25.712 1.00 0.00 O ATOM 1477 CB THR A 95 -3.329 10.179 -24.879 1.00 0.00 C ATOM 1478 OG1 THR A 95 -2.848 8.868 -25.193 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.847 10.159 -24.784 1.00 0.00 C ATOM 0 H THR A 95 -1.082 10.074 -25.953 1.00 0.00 H new ATOM 0 HA THR A 95 -3.524 11.118 -26.812 1.00 0.00 H new ATOM 0 HB THR A 95 -2.924 10.492 -23.917 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.149 8.236 -24.507 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.154 9.443 -24.022 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.208 11.152 -24.515 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.268 9.868 -25.746 1.00 0.00 H new ATOM 1487 N ALA A 96 -1.977 12.909 -24.492 1.00 0.00 N ATOM 1488 CA ALA A 96 -1.923 14.225 -23.868 1.00 0.00 C ATOM 1489 C ALA A 96 -1.667 15.314 -24.904 1.00 0.00 C ATOM 1490 O ALA A 96 -2.197 16.419 -24.799 1.00 0.00 O ATOM 1491 CB ALA A 96 -0.849 14.255 -22.791 1.00 0.00 C ATOM 0 H ALA A 96 -1.237 12.272 -24.197 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.891 14.420 -23.406 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.820 15.244 -22.334 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.077 13.509 -22.029 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.120 14.033 -23.237 1.00 0.00 H new ATOM 1497 N GLU A 97 -0.851 14.993 -25.904 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.524 15.946 -26.958 1.00 0.00 C ATOM 1499 C GLU A 97 -1.693 16.109 -27.925 1.00 0.00 C ATOM 1500 O GLU A 97 -1.836 17.145 -28.575 1.00 0.00 O ATOM 1501 CB GLU A 97 0.723 15.491 -27.719 1.00 0.00 C ATOM 1502 CG GLU A 97 0.995 16.297 -28.978 1.00 0.00 C ATOM 1503 CD GLU A 97 2.477 16.466 -29.253 1.00 0.00 C ATOM 1504 OE1 GLU A 97 3.090 15.524 -29.795 1.00 0.00 O ATOM 1505 OE2 GLU A 97 3.022 17.541 -28.926 1.00 0.00 O ATOM 0 H GLU A 97 -0.405 14.081 -26.006 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.324 16.911 -26.492 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.587 15.562 -27.059 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.612 14.440 -27.987 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.525 15.804 -29.829 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.532 17.279 -28.883 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.526 15.078 -28.016 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.683 15.104 -28.903 1.00 0.00 C ATOM 1514 C LYS A 98 -4.701 16.141 -28.438 1.00 0.00 C ATOM 1515 O LYS A 98 -5.440 16.705 -29.245 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.337 13.722 -28.963 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.851 13.352 -30.344 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.709 13.063 -31.304 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.201 11.637 -31.153 1.00 0.00 C ATOM 1520 NZ LYS A 98 -4.050 10.664 -31.895 1.00 0.00 N ATOM 0 H LYS A 98 -2.421 14.213 -27.486 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.339 15.379 -29.900 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.614 12.973 -28.641 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.166 13.690 -28.256 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.496 12.477 -30.271 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.461 14.166 -30.737 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.044 13.224 -32.329 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.893 13.762 -31.121 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.176 11.576 -31.518 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.180 11.369 -30.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.671 9.704 -31.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.023 10.703 -31.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.050 10.904 -32.907 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.734 16.387 -27.133 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.662 17.356 -26.561 1.00 0.00 C ATOM 1536 C PHE A 99 -5.468 18.732 -27.191 1.00 0.00 C ATOM 1537 O PHE A 99 -6.375 19.564 -27.186 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.469 17.445 -25.046 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.437 16.600 -24.268 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -7.718 17.056 -24.002 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -6.065 15.349 -23.802 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -8.610 16.280 -23.286 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -6.953 14.568 -23.086 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.227 15.034 -22.828 1.00 0.00 C ATOM 0 H PHE A 99 -4.129 15.929 -26.451 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.677 17.019 -26.772 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.452 17.140 -24.799 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.574 18.484 -24.735 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.023 18.029 -24.358 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.070 14.980 -24.001 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.605 16.647 -23.085 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.651 13.595 -22.729 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.923 14.426 -22.269 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.277 18.965 -27.734 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.962 20.239 -28.370 1.00 0.00 C ATOM 1556 C LYS A 100 -5.054 20.640 -29.357 1.00 0.00 C ATOM 1557 O LYS A 100 -5.321 21.824 -29.553 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.615 20.153 -29.090 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.873 21.477 -29.155 1.00 0.00 C ATOM 1560 CD LYS A 100 -2.512 22.425 -30.156 1.00 0.00 C ATOM 1561 CE LYS A 100 -1.506 23.437 -30.684 1.00 0.00 C ATOM 1562 NZ LYS A 100 -0.996 23.060 -32.032 1.00 0.00 N ATOM 0 H LYS A 100 -3.514 18.288 -27.746 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.903 21.000 -27.592 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.988 19.420 -28.583 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.777 19.787 -30.104 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.865 21.940 -28.168 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.834 21.300 -29.432 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.926 21.854 -30.987 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.343 22.949 -29.684 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.973 24.421 -30.734 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.671 23.516 -29.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.313 23.774 -32.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.528 22.133 -31.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.790 23.010 -32.702 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.682 19.644 -29.973 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.746 19.894 -30.939 1.00 0.00 C ATOM 1578 C ASN A 101 -7.808 20.819 -30.352 1.00 0.00 C ATOM 1579 O ASN A 101 -8.351 21.679 -31.046 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.387 18.575 -31.375 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.610 17.893 -32.485 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -6.846 18.144 -33.667 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -5.678 17.026 -32.108 1.00 0.00 N ATOM 0 H ASN A 101 -5.473 18.657 -29.821 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.306 20.382 -31.809 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.453 17.906 -30.517 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.406 18.764 -31.712 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.123 16.537 -32.810 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.517 16.849 -31.116 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.099 20.637 -29.068 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.094 21.455 -28.386 1.00 0.00 C ATOM 1592 C LYS A 102 -8.516 22.064 -27.112 1.00 0.00 C ATOM 1593 O LYS A 102 -9.248 22.372 -26.172 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.329 20.616 -28.048 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.278 20.432 -29.219 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.947 21.740 -29.606 1.00 0.00 C ATOM 1597 CE LYS A 102 -13.105 21.511 -30.565 1.00 0.00 C ATOM 1598 NZ LYS A 102 -13.539 22.775 -31.222 1.00 0.00 N ATOM 0 H LYS A 102 -7.659 19.930 -28.479 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.384 22.264 -29.056 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.007 19.636 -27.695 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.866 21.090 -27.227 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.730 20.036 -30.074 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.039 19.696 -28.960 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.309 22.244 -28.710 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.215 22.401 -30.069 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.809 20.789 -31.326 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.945 21.076 -30.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.330 22.577 -31.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.846 23.455 -30.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.745 23.177 -31.760 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.198 22.237 -27.089 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.545 22.811 -25.927 1.00 0.00 C ATOM 1614 C GLY A 103 -5.056 23.001 -26.133 1.00 0.00 C ATOM 1615 O GLY A 103 -4.250 22.186 -25.682 1.00 0.00 O ATOM 0 H GLY A 103 -6.571 21.990 -27.854 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.002 23.773 -25.696 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.710 22.164 -25.065 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.687 24.078 -26.819 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.284 24.371 -27.086 1.00 0.00 C ATOM 1621 C PHE A 104 -2.461 24.310 -25.803 1.00 0.00 C ATOM 1622 O PHE A 104 -1.280 23.963 -25.825 1.00 0.00 O ATOM 1623 CB PHE A 104 -3.144 25.752 -27.731 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.385 26.886 -26.776 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.670 27.201 -26.364 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -2.327 27.638 -26.291 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.895 28.244 -25.485 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -2.546 28.682 -25.412 1.00 0.00 C ATOM 1629 CZ PHE A 104 -3.832 28.986 -25.010 1.00 0.00 C ATOM 0 H PHE A 104 -5.340 24.762 -27.200 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.905 23.616 -27.775 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.143 25.848 -28.152 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.847 25.830 -28.560 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.505 26.625 -26.734 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.320 27.406 -26.603 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.901 28.478 -25.170 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.713 29.259 -25.040 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.006 29.803 -24.325 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.094 24.651 -24.685 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.422 24.635 -23.391 1.00 0.00 C ATOM 1641 C LYS A 105 -2.202 23.204 -22.909 1.00 0.00 C ATOM 1642 O LYS A 105 -2.926 22.712 -22.044 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.243 25.411 -22.358 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.408 25.994 -21.231 1.00 0.00 C ATOM 1645 CD LYS A 105 -2.849 27.406 -20.883 1.00 0.00 C ATOM 1646 CE LYS A 105 -2.240 28.429 -21.830 1.00 0.00 C ATOM 1647 NZ LYS A 105 -0.928 28.931 -21.334 1.00 0.00 N ATOM 0 H LYS A 105 -4.071 24.942 -24.649 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.450 25.114 -23.509 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.774 26.219 -22.861 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.998 24.749 -21.934 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.491 25.358 -20.349 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.357 26.001 -21.521 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.936 27.470 -20.927 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.557 27.638 -19.859 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.108 27.980 -22.814 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.927 29.266 -21.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.545 29.626 -22.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.057 29.382 -20.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.264 28.136 -21.243 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.198 22.543 -23.474 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.881 21.169 -23.101 1.00 0.00 C ATOM 1663 C VAL A 106 0.471 21.088 -22.400 1.00 0.00 C ATOM 1664 O VAL A 106 1.431 21.743 -22.805 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.865 20.242 -24.331 1.00 0.00 C ATOM 1666 CG1 VAL A 106 0.288 20.600 -25.255 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -0.781 18.786 -23.899 1.00 0.00 C ATOM 0 H VAL A 106 -0.589 22.936 -24.192 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.663 20.839 -22.417 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.796 20.381 -24.881 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.283 19.934 -26.118 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.178 21.631 -25.591 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.231 20.492 -24.719 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.771 18.145 -24.781 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.132 18.629 -23.325 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.644 18.539 -23.281 1.00 0.00 H new ATOM 1677 N GLU A 107 0.538 20.280 -21.347 1.00 0.00 N ATOM 1678 CA GLU A 107 1.773 20.114 -20.590 1.00 0.00 C ATOM 1679 C GLU A 107 1.870 18.706 -20.009 1.00 0.00 C ATOM 1680 O GLU A 107 0.860 18.094 -19.660 1.00 0.00 O ATOM 1681 CB GLU A 107 1.851 21.148 -19.465 1.00 0.00 C ATOM 1682 CG GLU A 107 2.357 22.506 -19.921 1.00 0.00 C ATOM 1683 CD GLU A 107 3.766 22.447 -20.477 1.00 0.00 C ATOM 1684 OE1 GLU A 107 3.921 22.107 -21.668 1.00 0.00 O ATOM 1685 OE2 GLU A 107 4.715 22.741 -19.719 1.00 0.00 O ATOM 0 H GLU A 107 -0.248 19.731 -20.999 1.00 0.00 H new ATOM 0 HA GLU A 107 2.610 20.266 -21.272 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.862 21.268 -19.024 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.506 20.770 -18.680 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.686 22.902 -20.683 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.331 23.200 -19.081 1.00 0.00 H new ATOM 1692 N THR A 108 3.094 18.197 -19.908 1.00 0.00 N ATOM 1693 CA THR A 108 3.324 16.861 -19.371 1.00 0.00 C ATOM 1694 C THR A 108 4.639 16.797 -18.603 1.00 0.00 C ATOM 1695 O THR A 108 5.677 17.242 -19.092 1.00 0.00 O ATOM 1696 CB THR A 108 3.344 15.802 -20.490 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.511 15.969 -21.302 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.097 15.907 -21.356 1.00 0.00 C ATOM 0 H THR A 108 3.941 18.690 -20.191 1.00 0.00 H new ATOM 0 HA THR A 108 2.499 16.646 -18.692 1.00 0.00 H new ATOM 0 HB THR A 108 3.363 14.816 -20.027 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.440 15.402 -22.098 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.133 15.150 -22.139 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.212 15.750 -20.740 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.052 16.897 -21.810 1.00 0.00 H new ATOM 1706 N ASP A 109 4.588 16.239 -17.398 1.00 0.00 N ATOM 1707 CA ASP A 109 5.777 16.114 -16.563 1.00 0.00 C ATOM 1708 C ASP A 109 6.186 14.652 -16.415 1.00 0.00 C ATOM 1709 O ASP A 109 5.519 13.877 -15.731 1.00 0.00 O ATOM 1710 CB ASP A 109 5.523 16.727 -15.184 1.00 0.00 C ATOM 1711 CG ASP A 109 6.685 16.513 -14.233 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.611 17.350 -14.231 1.00 0.00 O ATOM 1713 OD2 ASP A 109 6.667 15.508 -13.492 1.00 0.00 O ATOM 0 H ASP A 109 3.736 15.866 -16.978 1.00 0.00 H new ATOM 0 HA ASP A 109 6.591 16.653 -17.049 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.338 17.796 -15.293 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.621 16.290 -14.756 1.00 0.00 H new ATOM 1718 N MET A 110 7.287 14.284 -17.062 1.00 0.00 N ATOM 1719 CA MET A 110 7.786 12.914 -17.003 1.00 0.00 C ATOM 1720 C MET A 110 8.539 12.666 -15.700 1.00 0.00 C ATOM 1721 O MET A 110 9.652 13.157 -15.511 1.00 0.00 O ATOM 1722 CB MET A 110 8.700 12.629 -18.196 1.00 0.00 C ATOM 1723 CG MET A 110 8.701 11.171 -18.626 1.00 0.00 C ATOM 1724 SD MET A 110 9.934 10.190 -17.750 1.00 0.00 S ATOM 1725 CE MET A 110 11.449 10.886 -18.405 1.00 0.00 C ATOM 0 H MET A 110 7.850 14.914 -17.633 1.00 0.00 H new ATOM 0 HA MET A 110 6.930 12.240 -17.042 1.00 0.00 H new ATOM 0 HB2 MET A 110 8.388 13.247 -19.038 1.00 0.00 H new ATOM 0 HB3 MET A 110 9.718 12.925 -17.942 1.00 0.00 H new ATOM 0 HG2 MET A 110 7.713 10.744 -18.453 1.00 0.00 H new ATOM 0 HG3 MET A 110 8.890 11.112 -19.698 1.00 0.00 H new ATOM 0 HE1 MET A 110 12.240 10.137 -18.365 1.00 0.00 H new ATOM 0 HE2 MET A 110 11.291 11.193 -19.439 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.739 11.752 -17.810 1.00 0.00 H new TER 1735 MET A 110