USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 822 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 41 GLN : amide:sc= -9.24! C(o=-9.3!,f=-13!) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= -0.0621 USER MOD Set 2.1: A 1 SER N :NH3+ -134:sc= -2.22! (180deg=-4.68!) USER MOD Set 2.2: A 17 SER OG : rot 136:sc= 1.46 USER MOD Single : A 1 SER OG : rot 180:sc= -0.397 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 53:sc= 1.2 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00869 X(o=-0.0087,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= -6.09! (180deg=-9.84!) USER MOD Single : A 30 TYR OH : rot -83:sc= 1.35 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -60:sc= 0.609 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.328 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -70:sc= -1.57! USER MOD Single : A 55 SER OG : rot -110:sc= 0.895 USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= -0.0125 (180deg=-1.03) USER MOD Single : A 59 GLN : amide:sc= -2.41! C(o=-2.4!,f=-5.4!) USER MOD Single : A 61 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.3) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0907 USER MOD Single : A 70 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.5!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.2! K(o=-1.2!,f=-0.091) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.277 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -66:sc= 0.484 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.657 K(o=-0.66,f=-1.6!) USER MOD Single : A 96 ASN : amide:sc= -1.75 K(o=-1.8,f=-7.4!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 102 HIS : no HD1:sc= -0.663 K(o=-0.66,f=-2.1) USER MOD Single : A 103 HIS : no HD1:sc= 0.376 K(o=0.38,f=-2.3!) USER MOD Single : A 104 HIS : no HD1:sc= 0.493 K(o=0.49,f=-2.5!) USER MOD Single : A 105 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.018) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.149 1.136 -1.974 1.00 0.00 N ATOM 2 CA SER A 1 -10.466 0.457 -2.134 1.00 0.00 C ATOM 3 C SER A 1 -10.311 -1.040 -1.844 1.00 0.00 C ATOM 4 O SER A 1 -10.173 -1.459 -0.710 1.00 0.00 O ATOM 5 CB SER A 1 -10.963 0.639 -3.568 1.00 0.00 C ATOM 6 OG SER A 1 -12.101 -0.188 -3.776 1.00 0.00 O ATOM 0 H1 SER A 1 -9.273 2.007 -1.419 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.489 0.502 -1.481 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.765 1.374 -2.911 1.00 0.00 H new ATOM 0 HA SER A 1 -11.182 0.893 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.220 1.683 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.175 0.379 -4.275 1.00 0.00 H new ATOM 0 HG SER A 1 -12.425 -0.074 -4.694 1.00 0.00 H new ATOM 14 N ASP A 2 -10.345 -1.850 -2.867 1.00 0.00 N ATOM 15 CA ASP A 2 -10.214 -3.320 -2.671 1.00 0.00 C ATOM 16 C ASP A 2 -8.766 -3.692 -2.353 1.00 0.00 C ATOM 17 O ASP A 2 -7.832 -3.018 -2.746 1.00 0.00 O ATOM 18 CB ASP A 2 -10.656 -4.035 -3.944 1.00 0.00 C ATOM 19 CG ASP A 2 -10.585 -5.550 -3.739 1.00 0.00 C ATOM 20 OD1 ASP A 2 -10.420 -5.970 -2.606 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.697 -6.264 -4.721 1.00 0.00 O ATOM 0 H ASP A 2 -10.459 -1.553 -3.836 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.843 -3.624 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.673 -3.741 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.018 -3.741 -4.777 1.00 0.00 H new ATOM 26 N LEU A 3 -8.576 -4.766 -1.636 1.00 0.00 N ATOM 27 CA LEU A 3 -7.199 -5.196 -1.279 1.00 0.00 C ATOM 28 C LEU A 3 -6.542 -5.875 -2.481 1.00 0.00 C ATOM 29 O LEU A 3 -7.048 -6.840 -3.019 1.00 0.00 O ATOM 30 CB LEU A 3 -7.284 -6.175 -0.108 1.00 0.00 C ATOM 31 CG LEU A 3 -5.896 -6.736 0.227 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.918 -5.587 0.513 1.00 0.00 C ATOM 33 CD2 LEU A 3 -6.009 -7.637 1.461 1.00 0.00 C ATOM 0 H LEU A 3 -9.321 -5.366 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.598 -4.332 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.699 -5.671 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.962 -6.991 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.522 -7.312 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.936 -5.996 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.842 -4.946 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.281 -5.002 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.027 -8.041 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.384 -7.055 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.696 -8.457 1.251 1.00 0.00 H new ATOM 45 N VAL A 4 -5.409 -5.374 -2.905 1.00 0.00 N ATOM 46 CA VAL A 4 -4.709 -5.991 -4.076 1.00 0.00 C ATOM 47 C VAL A 4 -3.200 -6.013 -3.833 1.00 0.00 C ATOM 48 O VAL A 4 -2.685 -5.349 -2.953 1.00 0.00 O ATOM 49 CB VAL A 4 -5.015 -5.184 -5.338 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.514 -5.256 -5.627 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.598 -3.727 -5.130 1.00 0.00 C ATOM 0 H VAL A 4 -4.939 -4.568 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.062 -7.014 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.460 -5.596 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.739 -4.682 -6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.806 -6.295 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.067 -4.842 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.817 -3.154 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.150 -3.307 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.529 -3.681 -4.921 1.00 0.00 H new ATOM 61 N LYS A 5 -2.488 -6.781 -4.614 1.00 0.00 N ATOM 62 CA LYS A 5 -1.006 -6.868 -4.449 1.00 0.00 C ATOM 63 C LYS A 5 -0.327 -5.623 -5.032 1.00 0.00 C ATOM 64 O LYS A 5 -0.860 -4.944 -5.888 1.00 0.00 O ATOM 65 CB LYS A 5 -0.486 -8.107 -5.176 1.00 0.00 C ATOM 66 CG LYS A 5 -0.984 -9.368 -4.468 1.00 0.00 C ATOM 67 CD LYS A 5 -0.478 -10.606 -5.213 1.00 0.00 C ATOM 68 CE LYS A 5 -0.960 -11.871 -4.498 1.00 0.00 C ATOM 69 NZ LYS A 5 -0.492 -13.076 -5.240 1.00 0.00 N ATOM 0 H LYS A 5 -2.871 -7.356 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.776 -6.933 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.826 -8.102 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.604 -8.097 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.632 -9.382 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.073 -9.372 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.840 -10.597 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.611 -10.595 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.580 -11.890 -3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.048 -11.872 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.821 -13.934 -4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.875 -13.059 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.547 -13.077 -5.280 1.00 0.00 H new ATOM 83 N ILE A 6 0.863 -5.341 -4.578 1.00 0.00 N ATOM 84 CA ILE A 6 1.612 -4.160 -5.093 1.00 0.00 C ATOM 85 C ILE A 6 1.912 -4.362 -6.585 1.00 0.00 C ATOM 86 O ILE A 6 1.782 -3.457 -7.388 1.00 0.00 O ATOM 87 CB ILE A 6 2.926 -4.031 -4.315 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.634 -3.580 -2.874 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.832 -2.998 -4.994 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.936 -4.695 -2.085 1.00 0.00 C ATOM 0 H ILE A 6 1.353 -5.883 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 6 1.019 -3.255 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 6 3.426 -4.999 -4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.565 -3.306 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.006 -2.689 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.765 -2.910 -4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.047 -3.317 -6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.329 -2.031 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.739 -4.353 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.994 -4.950 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.578 -5.575 -2.054 1.00 0.00 H new ATOM 102 N ARG A 7 2.311 -5.540 -6.957 1.00 0.00 N ATOM 103 CA ARG A 7 2.625 -5.809 -8.389 1.00 0.00 C ATOM 104 C ARG A 7 1.350 -5.662 -9.231 1.00 0.00 C ATOM 105 O ARG A 7 1.398 -5.405 -10.419 1.00 0.00 O ATOM 106 CB ARG A 7 3.169 -7.233 -8.530 1.00 0.00 C ATOM 107 CG ARG A 7 4.567 -7.320 -7.909 1.00 0.00 C ATOM 108 CD ARG A 7 5.079 -8.765 -7.978 1.00 0.00 C ATOM 109 NE ARG A 7 5.233 -9.170 -9.407 1.00 0.00 N ATOM 110 CZ ARG A 7 5.597 -10.386 -9.713 1.00 0.00 C ATOM 111 NH1 ARG A 7 5.836 -11.261 -8.775 1.00 0.00 N ATOM 112 NH2 ARG A 7 5.729 -10.726 -10.967 1.00 0.00 N ATOM 0 H ARG A 7 2.435 -6.335 -6.330 1.00 0.00 H new ATOM 0 HA ARG A 7 3.372 -5.096 -8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.499 -7.938 -8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.211 -7.513 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.251 -6.657 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.536 -6.985 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.034 -8.849 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.382 -9.434 -7.472 1.00 0.00 H new ATOM 0 HE ARG A 7 5.053 -8.493 -10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.739 -10.997 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.120 -12.209 -9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.548 -10.043 -11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.013 -11.675 -11.211 1.00 0.00 H new ATOM 126 N ASP A 8 0.207 -5.825 -8.626 1.00 0.00 N ATOM 127 CA ASP A 8 -1.071 -5.695 -9.385 1.00 0.00 C ATOM 128 C ASP A 8 -1.460 -4.214 -9.483 1.00 0.00 C ATOM 129 O ASP A 8 -2.475 -3.860 -10.054 1.00 0.00 O ATOM 130 CB ASP A 8 -2.169 -6.467 -8.646 1.00 0.00 C ATOM 131 CG ASP A 8 -3.422 -6.549 -9.516 1.00 0.00 C ATOM 132 OD1 ASP A 8 -3.307 -6.326 -10.711 1.00 0.00 O ATOM 133 OD2 ASP A 8 -4.479 -6.836 -8.975 1.00 0.00 O ATOM 0 H ASP A 8 0.101 -6.043 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.948 -6.100 -10.389 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.819 -7.470 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.402 -5.972 -7.703 1.00 0.00 H new ATOM 138 N VAL A 9 -0.666 -3.345 -8.920 1.00 0.00 N ATOM 139 CA VAL A 9 -0.997 -1.891 -8.966 1.00 0.00 C ATOM 140 C VAL A 9 -0.881 -1.359 -10.394 1.00 0.00 C ATOM 141 O VAL A 9 0.092 -1.587 -11.087 1.00 0.00 O ATOM 142 CB VAL A 9 -0.040 -1.126 -8.050 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.238 0.386 -8.226 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.324 -1.510 -6.594 1.00 0.00 C ATOM 0 H VAL A 9 0.198 -3.578 -8.430 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.023 -1.750 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 9 0.987 -1.382 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.448 0.922 -7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.038 0.661 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.264 0.651 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.355 -0.968 -5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.354 -1.253 -6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.176 -2.582 -6.465 1.00 0.00 H new ATOM 154 N SER A 10 -1.878 -0.639 -10.832 1.00 0.00 N ATOM 155 CA SER A 10 -1.853 -0.074 -12.207 1.00 0.00 C ATOM 156 C SER A 10 -2.823 1.108 -12.287 1.00 0.00 C ATOM 157 O SER A 10 -3.640 1.320 -11.411 1.00 0.00 O ATOM 158 CB SER A 10 -2.269 -1.142 -13.220 1.00 0.00 C ATOM 159 OG SER A 10 -3.494 -1.729 -12.808 1.00 0.00 O ATOM 0 H SER A 10 -2.714 -0.418 -10.291 1.00 0.00 H new ATOM 0 HA SER A 10 -0.842 0.262 -12.438 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.380 -0.698 -14.209 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.495 -1.906 -13.299 1.00 0.00 H new ATOM 0 HG SER A 10 -3.764 -2.413 -13.456 1.00 0.00 H new ATOM 165 N LEU A 11 -2.743 1.874 -13.336 1.00 0.00 N ATOM 166 CA LEU A 11 -3.661 3.040 -13.493 1.00 0.00 C ATOM 167 C LEU A 11 -5.096 2.525 -13.640 1.00 0.00 C ATOM 168 O LEU A 11 -6.059 3.237 -13.429 1.00 0.00 O ATOM 169 CB LEU A 11 -3.262 3.815 -14.750 1.00 0.00 C ATOM 170 CG LEU A 11 -1.810 4.298 -14.622 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.390 5.004 -15.918 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.677 5.267 -13.433 1.00 0.00 C ATOM 0 H LEU A 11 -2.078 1.744 -14.098 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.596 3.694 -12.623 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.368 3.180 -15.629 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.928 4.667 -14.890 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.161 3.439 -14.449 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.359 5.347 -15.828 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.469 4.308 -16.753 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.043 5.859 -16.095 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.643 5.603 -13.352 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.327 6.128 -13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.966 4.757 -12.514 1.00 0.00 H new ATOM 184 N SER A 12 -5.240 1.282 -13.996 1.00 0.00 N ATOM 185 CA SER A 12 -6.600 0.697 -14.153 1.00 0.00 C ATOM 186 C SER A 12 -7.311 0.698 -12.798 1.00 0.00 C ATOM 187 O SER A 12 -8.518 0.560 -12.713 1.00 0.00 O ATOM 188 CB SER A 12 -6.470 -0.740 -14.656 1.00 0.00 C ATOM 189 OG SER A 12 -7.732 -1.197 -15.122 1.00 0.00 O ATOM 0 H SER A 12 -4.470 0.641 -14.187 1.00 0.00 H new ATOM 0 HA SER A 12 -7.176 1.287 -14.867 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.735 -0.790 -15.459 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.111 -1.386 -13.854 1.00 0.00 H new ATOM 0 HG SER A 12 -7.647 -2.118 -15.446 1.00 0.00 H new ATOM 195 N THR A 13 -6.566 0.848 -11.731 1.00 0.00 N ATOM 196 CA THR A 13 -7.173 0.858 -10.363 1.00 0.00 C ATOM 197 C THR A 13 -6.775 2.153 -9.643 1.00 0.00 C ATOM 198 O THR A 13 -5.847 2.174 -8.862 1.00 0.00 O ATOM 199 CB THR A 13 -6.651 -0.351 -9.578 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.245 -0.239 -9.405 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.978 -1.630 -10.351 1.00 0.00 C ATOM 0 H THR A 13 -5.553 0.965 -11.749 1.00 0.00 H new ATOM 0 HA THR A 13 -8.259 0.805 -10.436 1.00 0.00 H new ATOM 0 HB THR A 13 -7.127 -0.385 -8.598 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.032 0.635 -9.016 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.609 -2.494 -9.798 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.058 -1.713 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.501 -1.595 -11.330 1.00 0.00 H new ATOM 209 N PRO A 14 -7.475 3.230 -9.912 1.00 0.00 N ATOM 210 CA PRO A 14 -7.198 4.559 -9.283 1.00 0.00 C ATOM 211 C PRO A 14 -7.141 4.474 -7.755 1.00 0.00 C ATOM 212 O PRO A 14 -6.303 5.084 -7.121 1.00 0.00 O ATOM 213 CB PRO A 14 -8.384 5.432 -9.728 1.00 0.00 C ATOM 214 CG PRO A 14 -8.886 4.799 -10.986 1.00 0.00 C ATOM 215 CD PRO A 14 -8.610 3.300 -10.849 1.00 0.00 C ATOM 0 HA PRO A 14 -6.229 4.956 -9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.161 5.460 -8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.072 6.462 -9.903 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.951 4.988 -11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.378 5.210 -11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.479 2.768 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.362 2.850 -11.810 1.00 0.00 H new ATOM 223 N TYR A 15 -8.039 3.722 -7.158 1.00 0.00 N ATOM 224 CA TYR A 15 -8.055 3.597 -5.665 1.00 0.00 C ATOM 225 C TYR A 15 -7.839 2.138 -5.265 1.00 0.00 C ATOM 226 O TYR A 15 -8.515 1.242 -5.734 1.00 0.00 O ATOM 227 CB TYR A 15 -9.404 4.071 -5.126 1.00 0.00 C ATOM 228 CG TYR A 15 -9.550 5.553 -5.392 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.767 6.471 -4.680 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.463 6.010 -6.352 1.00 0.00 C ATOM 231 CE1 TYR A 15 -8.898 7.843 -4.926 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.595 7.381 -6.596 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.812 8.298 -5.884 1.00 0.00 C ATOM 234 OH TYR A 15 -9.944 9.650 -6.124 1.00 0.00 O ATOM 0 H TYR A 15 -8.762 3.189 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.256 4.210 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.214 3.521 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.472 3.872 -4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.062 6.120 -3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.065 5.303 -6.904 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.294 8.550 -4.377 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.301 7.732 -7.334 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.620 9.794 -6.819 1.00 0.00 H new ATOM 244 N VAL A 16 -6.894 1.891 -4.394 1.00 0.00 N ATOM 245 CA VAL A 16 -6.627 0.488 -3.953 1.00 0.00 C ATOM 246 C VAL A 16 -6.164 0.474 -2.499 1.00 0.00 C ATOM 247 O VAL A 16 -5.716 1.467 -1.960 1.00 0.00 O ATOM 248 CB VAL A 16 -5.539 -0.139 -4.824 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.065 -0.318 -6.246 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.304 0.768 -4.844 1.00 0.00 C ATOM 0 H VAL A 16 -6.296 2.600 -3.969 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.550 -0.084 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.264 -1.110 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.289 -0.765 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.939 -0.970 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.343 0.653 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.531 0.317 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.575 1.742 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.927 0.891 -3.829 1.00 0.00 H new ATOM 260 N SER A 17 -6.258 -0.667 -1.864 1.00 0.00 N ATOM 261 CA SER A 17 -5.813 -0.798 -0.442 1.00 0.00 C ATOM 262 C SER A 17 -4.632 -1.766 -0.390 1.00 0.00 C ATOM 263 O SER A 17 -4.653 -2.823 -1.002 1.00 0.00 O ATOM 264 CB SER A 17 -6.960 -1.351 0.399 1.00 0.00 C ATOM 265 OG SER A 17 -8.124 -0.568 0.171 1.00 0.00 O ATOM 0 H SER A 17 -6.629 -1.524 -2.275 1.00 0.00 H new ATOM 0 HA SER A 17 -5.517 0.175 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.150 -2.392 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.695 -1.331 1.456 1.00 0.00 H new ATOM 0 HG SER A 17 -8.898 -1.158 0.057 1.00 0.00 H new ATOM 271 N VAL A 18 -3.593 -1.410 0.330 1.00 0.00 N ATOM 272 CA VAL A 18 -2.393 -2.299 0.420 1.00 0.00 C ATOM 273 C VAL A 18 -1.877 -2.350 1.857 1.00 0.00 C ATOM 274 O VAL A 18 -2.192 -1.515 2.682 1.00 0.00 O ATOM 275 CB VAL A 18 -1.292 -1.771 -0.500 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.753 -1.897 -1.949 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.009 -0.299 -0.183 1.00 0.00 C ATOM 0 H VAL A 18 -3.526 -0.541 0.859 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.677 -3.305 0.111 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.381 -2.350 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.974 -1.523 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.952 -2.944 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.663 -1.315 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.224 0.071 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.916 0.287 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.686 -0.206 0.854 1.00 0.00 H new ATOM 287 N ILE A 19 -1.075 -3.339 2.159 1.00 0.00 N ATOM 288 CA ILE A 19 -0.521 -3.470 3.538 1.00 0.00 C ATOM 289 C ILE A 19 0.935 -3.920 3.462 1.00 0.00 C ATOM 290 O ILE A 19 1.293 -4.780 2.682 1.00 0.00 O ATOM 291 CB ILE A 19 -1.335 -4.500 4.322 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.855 -4.522 5.773 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.158 -5.887 3.702 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.819 -5.357 6.615 1.00 0.00 C ATOM 0 H ILE A 19 -0.779 -4.064 1.506 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.576 -2.506 4.043 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.390 -4.228 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.150 -4.941 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.799 -3.506 6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.741 -6.615 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.502 -5.870 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.105 -6.166 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.478 -5.373 7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.816 -4.919 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.852 -6.375 6.228 1.00 0.00 H new ATOM 306 N GLY A 20 1.785 -3.346 4.271 1.00 0.00 N ATOM 307 CA GLY A 20 3.220 -3.750 4.235 1.00 0.00 C ATOM 308 C GLY A 20 4.002 -2.950 5.277 1.00 0.00 C ATOM 309 O GLY A 20 3.435 -2.367 6.185 1.00 0.00 O ATOM 0 H GLY A 20 1.551 -2.621 4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.313 -4.817 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.633 -3.575 3.242 1.00 0.00 H new ATOM 313 N LYS A 21 5.308 -2.922 5.152 1.00 0.00 N ATOM 314 CA LYS A 21 6.153 -2.169 6.129 1.00 0.00 C ATOM 315 C LYS A 21 6.777 -0.964 5.434 1.00 0.00 C ATOM 316 O LYS A 21 7.370 -1.079 4.376 1.00 0.00 O ATOM 317 CB LYS A 21 7.261 -3.085 6.656 1.00 0.00 C ATOM 318 CG LYS A 21 7.836 -2.506 7.954 1.00 0.00 C ATOM 319 CD LYS A 21 9.200 -3.135 8.246 1.00 0.00 C ATOM 320 CE LYS A 21 9.074 -4.656 8.254 1.00 0.00 C ATOM 321 NZ LYS A 21 10.285 -5.250 8.886 1.00 0.00 N ATOM 0 H LYS A 21 5.826 -3.392 4.410 1.00 0.00 H new ATOM 0 HA LYS A 21 5.536 -1.830 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.865 -4.084 6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.050 -3.184 5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.936 -1.424 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.153 -2.697 8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.923 -2.824 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.573 -2.786 9.209 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.181 -4.955 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.962 -5.028 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.200 -6.287 8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.129 -4.975 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.372 -4.904 9.863 1.00 0.00 H new ATOM 335 N ILE A 22 6.630 0.197 6.025 1.00 0.00 N ATOM 336 CA ILE A 22 7.190 1.438 5.420 1.00 0.00 C ATOM 337 C ILE A 22 8.568 1.721 6.008 1.00 0.00 C ATOM 338 O ILE A 22 8.743 1.805 7.214 1.00 0.00 O ATOM 339 CB ILE A 22 6.246 2.605 5.717 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.963 2.435 4.896 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.916 3.929 5.341 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.210 1.171 5.324 1.00 0.00 C ATOM 0 H ILE A 22 6.141 0.335 6.909 1.00 0.00 H new ATOM 0 HA ILE A 22 7.287 1.312 4.342 1.00 0.00 H new ATOM 0 HB ILE A 22 6.009 2.614 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.323 3.308 5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.209 2.376 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.237 4.754 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.831 4.051 5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.158 3.925 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.302 1.069 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.845 0.299 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.946 1.245 6.379 1.00 0.00 H new ATOM 354 N THR A 23 9.548 1.872 5.149 1.00 0.00 N ATOM 355 CA THR A 23 10.941 2.151 5.611 1.00 0.00 C ATOM 356 C THR A 23 11.540 3.309 4.807 1.00 0.00 C ATOM 357 O THR A 23 11.103 3.627 3.715 1.00 0.00 O ATOM 358 CB THR A 23 11.802 0.901 5.408 1.00 0.00 C ATOM 359 OG1 THR A 23 11.704 0.477 4.058 1.00 0.00 O ATOM 360 CG2 THR A 23 11.327 -0.218 6.335 1.00 0.00 C ATOM 0 H THR A 23 9.439 1.813 4.137 1.00 0.00 H new ATOM 0 HA THR A 23 10.918 2.421 6.667 1.00 0.00 H new ATOM 0 HB THR A 23 12.840 1.137 5.642 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.256 -0.322 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.945 -1.103 6.184 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.409 0.109 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.288 -0.459 6.112 1.00 0.00 H new ATOM 368 N GLY A 24 12.552 3.935 5.348 1.00 0.00 N ATOM 369 CA GLY A 24 13.213 5.077 4.642 1.00 0.00 C ATOM 370 C GLY A 24 12.270 6.283 4.590 1.00 0.00 C ATOM 371 O GLY A 24 11.600 6.523 3.604 1.00 0.00 O ATOM 0 H GLY A 24 12.954 3.703 6.257 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.134 5.348 5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.489 4.778 3.631 1.00 0.00 H new ATOM 375 N ILE A 25 12.210 7.045 5.647 1.00 0.00 N ATOM 376 CA ILE A 25 11.309 8.238 5.666 1.00 0.00 C ATOM 377 C ILE A 25 12.065 9.479 5.199 1.00 0.00 C ATOM 378 O ILE A 25 13.139 9.787 5.678 1.00 0.00 O ATOM 379 CB ILE A 25 10.803 8.473 7.088 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.189 7.179 7.638 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.751 9.584 7.081 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.133 6.634 6.670 1.00 0.00 C ATOM 0 H ILE A 25 12.746 6.895 6.502 1.00 0.00 H new ATOM 0 HA ILE A 25 10.470 8.053 4.996 1.00 0.00 H new ATOM 0 HB ILE A 25 11.636 8.772 7.724 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.970 6.434 7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.736 7.369 8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.391 9.751 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.195 10.503 6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.917 9.291 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.707 5.716 7.075 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.343 7.374 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.597 6.424 5.706 1.00 0.00 H new ATOM 394 N HIS A 26 11.498 10.203 4.265 1.00 0.00 N ATOM 395 CA HIS A 26 12.158 11.443 3.753 1.00 0.00 C ATOM 396 C HIS A 26 11.129 12.567 3.689 1.00 0.00 C ATOM 397 O HIS A 26 9.991 12.369 3.306 1.00 0.00 O ATOM 398 CB HIS A 26 12.725 11.190 2.359 1.00 0.00 C ATOM 399 CG HIS A 26 13.883 10.239 2.467 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.720 8.864 2.412 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.229 10.451 2.631 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.937 8.306 2.540 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.892 9.228 2.677 1.00 0.00 N ATOM 0 H HIS A 26 10.600 9.986 3.833 1.00 0.00 H new ATOM 0 HA HIS A 26 12.971 11.725 4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.955 10.774 1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.049 12.128 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.702 11.419 2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.119 7.242 2.533 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.893 9.070 2.791 1.00 0.00 H new ATOM 411 N LYS A 27 11.523 13.751 4.072 1.00 0.00 N ATOM 412 CA LYS A 27 10.583 14.910 4.056 1.00 0.00 C ATOM 413 C LYS A 27 10.881 15.805 2.855 1.00 0.00 C ATOM 414 O LYS A 27 12.017 16.103 2.546 1.00 0.00 O ATOM 415 CB LYS A 27 10.770 15.707 5.344 1.00 0.00 C ATOM 416 CG LYS A 27 9.822 16.916 5.354 1.00 0.00 C ATOM 417 CD LYS A 27 9.986 17.707 6.660 1.00 0.00 C ATOM 418 CE LYS A 27 9.217 17.025 7.797 1.00 0.00 C ATOM 419 NZ LYS A 27 9.225 17.909 8.995 1.00 0.00 N ATOM 0 H LYS A 27 12.465 13.968 4.399 1.00 0.00 H new ATOM 0 HA LYS A 27 9.557 14.551 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.572 15.071 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.803 16.044 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.034 17.560 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.790 16.579 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.042 17.779 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.621 18.725 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.192 16.822 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.674 16.065 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.704 17.450 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.206 18.081 9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.770 18.815 8.761 1.00 0.00 H new ATOM 433 N LYS A 28 9.853 16.243 2.179 1.00 0.00 N ATOM 434 CA LYS A 28 10.045 17.130 0.998 1.00 0.00 C ATOM 435 C LYS A 28 8.912 18.149 0.943 1.00 0.00 C ATOM 436 O LYS A 28 7.866 17.963 1.535 1.00 0.00 O ATOM 437 CB LYS A 28 10.039 16.299 -0.278 1.00 0.00 C ATOM 438 CG LYS A 28 11.320 15.466 -0.339 1.00 0.00 C ATOM 439 CD LYS A 28 11.407 14.746 -1.687 1.00 0.00 C ATOM 440 CE LYS A 28 10.378 13.612 -1.754 1.00 0.00 C ATOM 441 NZ LYS A 28 10.713 12.711 -2.891 1.00 0.00 N ATOM 0 H LYS A 28 8.881 16.022 2.397 1.00 0.00 H new ATOM 0 HA LYS A 28 11.001 17.646 1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.165 15.647 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.972 16.949 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.190 16.109 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.331 14.739 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.231 15.454 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.410 14.344 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.376 13.052 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.376 14.022 -1.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.878 12.597 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.492 13.124 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.003 11.782 -2.524 1.00 0.00 H new ATOM 455 N GLU A 29 9.116 19.232 0.234 1.00 0.00 N ATOM 456 CA GLU A 29 8.061 20.289 0.125 1.00 0.00 C ATOM 457 C GLU A 29 7.702 20.509 -1.344 1.00 0.00 C ATOM 458 O GLU A 29 8.537 20.428 -2.223 1.00 0.00 O ATOM 459 CB GLU A 29 8.590 21.591 0.722 1.00 0.00 C ATOM 460 CG GLU A 29 8.713 21.427 2.237 1.00 0.00 C ATOM 461 CD GLU A 29 9.308 22.699 2.843 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.567 23.624 2.090 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.494 22.724 4.047 1.00 0.00 O ATOM 0 H GLU A 29 9.975 19.431 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 29 7.171 19.972 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.560 21.837 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.917 22.415 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.734 21.228 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.345 20.570 2.470 1.00 0.00 H new ATOM 470 N TYR A 30 6.453 20.787 -1.616 1.00 0.00 N ATOM 471 CA TYR A 30 6.023 21.011 -3.027 1.00 0.00 C ATOM 472 C TYR A 30 4.974 22.124 -3.065 1.00 0.00 C ATOM 473 O TYR A 30 4.363 22.455 -2.068 1.00 0.00 O ATOM 474 CB TYR A 30 5.426 19.718 -3.595 1.00 0.00 C ATOM 475 CG TYR A 30 4.126 19.382 -2.892 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.128 19.001 -1.542 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.912 19.448 -3.594 1.00 0.00 C ATOM 478 CE1 TYR A 30 2.922 18.687 -0.900 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.709 19.131 -2.951 1.00 0.00 C ATOM 480 CZ TYR A 30 1.714 18.752 -1.603 1.00 0.00 C ATOM 481 OH TYR A 30 0.526 18.439 -0.973 1.00 0.00 O ATOM 0 H TYR A 30 5.712 20.868 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 30 6.884 21.302 -3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.250 19.831 -4.665 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.135 18.899 -3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.059 18.950 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.906 19.744 -4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.925 18.394 0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.777 19.179 -3.495 1.00 0.00 H new ATOM 0 HH TYR A 30 0.396 17.468 -0.984 1.00 0.00 H new ATOM 491 N GLU A 31 4.768 22.712 -4.214 1.00 0.00 N ATOM 492 CA GLU A 31 3.766 23.815 -4.331 1.00 0.00 C ATOM 493 C GLU A 31 2.418 23.248 -4.777 1.00 0.00 C ATOM 494 O GLU A 31 2.279 22.722 -5.863 1.00 0.00 O ATOM 495 CB GLU A 31 4.257 24.829 -5.364 1.00 0.00 C ATOM 496 CG GLU A 31 5.478 25.564 -4.808 1.00 0.00 C ATOM 497 CD GLU A 31 6.026 26.526 -5.864 1.00 0.00 C ATOM 498 OE1 GLU A 31 5.438 26.601 -6.931 1.00 0.00 O ATOM 499 OE2 GLU A 31 7.023 27.170 -5.588 1.00 0.00 O ATOM 0 H GLU A 31 5.252 22.476 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 31 3.646 24.300 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.515 24.322 -6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.465 25.540 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.204 26.114 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.247 24.847 -4.522 1.00 0.00 H new ATOM 506 N SER A 32 1.419 23.362 -3.935 1.00 0.00 N ATOM 507 CA SER A 32 0.061 22.846 -4.283 1.00 0.00 C ATOM 508 C SER A 32 -0.885 24.027 -4.523 1.00 0.00 C ATOM 509 O SER A 32 -1.252 24.748 -3.617 1.00 0.00 O ATOM 510 CB SER A 32 -0.453 21.984 -3.131 1.00 0.00 C ATOM 511 OG SER A 32 -1.500 21.146 -3.605 1.00 0.00 O ATOM 0 H SER A 32 1.489 23.795 -3.014 1.00 0.00 H new ATOM 0 HA SER A 32 0.110 22.243 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.357 21.379 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.816 22.617 -2.321 1.00 0.00 H new ATOM 0 HG SER A 32 -1.832 20.590 -2.870 1.00 0.00 H new ATOM 517 N ASP A 33 -1.275 24.222 -5.753 1.00 0.00 N ATOM 518 CA ASP A 33 -2.192 25.348 -6.105 1.00 0.00 C ATOM 519 C ASP A 33 -1.635 26.684 -5.590 1.00 0.00 C ATOM 520 O ASP A 33 -2.371 27.587 -5.234 1.00 0.00 O ATOM 521 CB ASP A 33 -3.590 25.096 -5.529 1.00 0.00 C ATOM 522 CG ASP A 33 -4.259 23.966 -6.318 1.00 0.00 C ATOM 523 OD1 ASP A 33 -3.710 23.578 -7.337 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.306 23.510 -5.892 1.00 0.00 O ATOM 0 H ASP A 33 -0.994 23.641 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.266 25.404 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.520 24.829 -4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.191 26.004 -5.589 1.00 0.00 H new ATOM 529 N GLY A 34 -0.336 26.830 -5.576 1.00 0.00 N ATOM 530 CA GLY A 34 0.277 28.114 -5.115 1.00 0.00 C ATOM 531 C GLY A 34 0.573 28.074 -3.614 1.00 0.00 C ATOM 532 O GLY A 34 1.108 29.019 -3.062 1.00 0.00 O ATOM 0 H GLY A 34 0.330 26.114 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.199 28.299 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.397 28.942 -5.334 1.00 0.00 H new ATOM 536 N THR A 35 0.235 26.998 -2.941 1.00 0.00 N ATOM 537 CA THR A 35 0.504 26.913 -1.465 1.00 0.00 C ATOM 538 C THR A 35 1.506 25.791 -1.181 1.00 0.00 C ATOM 539 O THR A 35 1.319 24.652 -1.564 1.00 0.00 O ATOM 540 CB THR A 35 -0.806 26.643 -0.722 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.443 25.499 -1.273 1.00 0.00 O ATOM 542 CG2 THR A 35 -1.719 27.861 -0.866 1.00 0.00 C ATOM 0 H THR A 35 -0.214 26.177 -3.347 1.00 0.00 H new ATOM 0 HA THR A 35 0.926 27.857 -1.121 1.00 0.00 H new ATOM 0 HB THR A 35 -0.600 26.460 0.333 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.641 25.659 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.656 27.678 -0.339 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.228 28.736 -0.440 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.925 28.039 -1.922 1.00 0.00 H new ATOM 550 N THR A 36 2.577 26.119 -0.510 1.00 0.00 N ATOM 551 CA THR A 36 3.614 25.099 -0.187 1.00 0.00 C ATOM 552 C THR A 36 3.074 24.110 0.843 1.00 0.00 C ATOM 553 O THR A 36 2.490 24.488 1.841 1.00 0.00 O ATOM 554 CB THR A 36 4.849 25.798 0.373 1.00 0.00 C ATOM 555 OG1 THR A 36 5.240 26.840 -0.512 1.00 0.00 O ATOM 556 CG2 THR A 36 5.989 24.790 0.509 1.00 0.00 C ATOM 0 H THR A 36 2.779 27.059 -0.169 1.00 0.00 H new ATOM 0 HA THR A 36 3.878 24.555 -1.094 1.00 0.00 H new ATOM 0 HB THR A 36 4.619 26.217 1.353 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.032 27.293 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.871 25.290 0.909 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.688 23.989 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.222 24.370 -0.470 1.00 0.00 H new ATOM 564 N LYS A 37 3.270 22.836 0.609 1.00 0.00 N ATOM 565 CA LYS A 37 2.776 21.804 1.568 1.00 0.00 C ATOM 566 C LYS A 37 3.845 20.733 1.775 1.00 0.00 C ATOM 567 O LYS A 37 4.586 20.384 0.874 1.00 0.00 O ATOM 568 CB LYS A 37 1.507 21.162 1.017 1.00 0.00 C ATOM 569 CG LYS A 37 0.377 22.193 1.044 1.00 0.00 C ATOM 570 CD LYS A 37 -0.914 21.548 0.542 1.00 0.00 C ATOM 571 CE LYS A 37 -2.040 22.580 0.575 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.300 21.955 0.084 1.00 0.00 N ATOM 0 H LYS A 37 3.753 22.466 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 37 2.557 22.279 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.674 20.812 -0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.236 20.291 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.238 22.569 2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.636 23.048 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.777 21.175 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.172 20.691 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.177 22.952 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.781 23.437 -0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.067 22.657 0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.165 21.621 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.549 21.150 0.694 1.00 0.00 H new ATOM 586 N SER A 38 3.932 20.215 2.968 1.00 0.00 N ATOM 587 CA SER A 38 4.950 19.170 3.265 1.00 0.00 C ATOM 588 C SER A 38 4.437 17.793 2.840 1.00 0.00 C ATOM 589 O SER A 38 3.264 17.484 2.949 1.00 0.00 O ATOM 590 CB SER A 38 5.232 19.164 4.764 1.00 0.00 C ATOM 591 OG SER A 38 5.468 20.496 5.198 1.00 0.00 O ATOM 0 H SER A 38 3.337 20.473 3.755 1.00 0.00 H new ATOM 0 HA SER A 38 5.863 19.391 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.387 18.737 5.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.098 18.539 4.981 1.00 0.00 H new ATOM 0 HG SER A 38 5.648 20.499 6.161 1.00 0.00 H new ATOM 597 N VAL A 39 5.319 16.952 2.367 1.00 0.00 N ATOM 598 CA VAL A 39 4.902 15.585 1.945 1.00 0.00 C ATOM 599 C VAL A 39 5.978 14.586 2.373 1.00 0.00 C ATOM 600 O VAL A 39 7.163 14.834 2.251 1.00 0.00 O ATOM 601 CB VAL A 39 4.718 15.550 0.424 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.055 15.796 -0.281 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.155 14.188 0.004 1.00 0.00 C ATOM 0 H VAL A 39 6.312 17.155 2.255 1.00 0.00 H new ATOM 0 HA VAL A 39 3.955 15.320 2.416 1.00 0.00 H new ATOM 0 HB VAL A 39 4.020 16.336 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.908 15.768 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.444 16.773 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.767 15.023 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.025 14.166 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.847 13.401 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.192 14.027 0.488 1.00 0.00 H new ATOM 613 N TYR A 40 5.567 13.454 2.883 1.00 0.00 N ATOM 614 CA TYR A 40 6.548 12.419 3.333 1.00 0.00 C ATOM 615 C TYR A 40 6.639 11.314 2.285 1.00 0.00 C ATOM 616 O TYR A 40 5.643 10.847 1.767 1.00 0.00 O ATOM 617 CB TYR A 40 6.075 11.828 4.657 1.00 0.00 C ATOM 618 CG TYR A 40 6.157 12.890 5.725 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.116 13.811 5.879 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.279 12.954 6.559 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.196 14.800 6.867 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.359 13.941 7.548 1.00 0.00 C ATOM 623 CZ TYR A 40 6.318 14.863 7.703 1.00 0.00 C ATOM 624 OH TYR A 40 6.399 15.837 8.677 1.00 0.00 O ATOM 0 H TYR A 40 4.587 13.200 3.008 1.00 0.00 H new ATOM 0 HA TYR A 40 7.530 12.874 3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.051 11.466 4.564 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.692 10.972 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.250 13.759 5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.082 12.242 6.440 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.394 15.513 6.984 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.225 13.991 8.192 1.00 0.00 H new ATOM 0 HH TYR A 40 7.241 15.739 9.169 1.00 0.00 H new ATOM 634 N GLN A 41 7.839 10.895 1.965 1.00 0.00 N ATOM 635 CA GLN A 41 8.032 9.824 0.940 1.00 0.00 C ATOM 636 C GLN A 41 8.680 8.609 1.600 1.00 0.00 C ATOM 637 O GLN A 41 9.397 8.720 2.576 1.00 0.00 O ATOM 638 CB GLN A 41 8.949 10.359 -0.172 1.00 0.00 C ATOM 639 CG GLN A 41 8.119 11.119 -1.211 1.00 0.00 C ATOM 640 CD GLN A 41 7.473 12.342 -0.559 1.00 0.00 C ATOM 641 OE1 GLN A 41 6.446 12.809 -1.008 1.00 0.00 O ATOM 642 NE2 GLN A 41 8.030 12.884 0.491 1.00 0.00 N ATOM 0 H GLN A 41 8.701 11.254 2.375 1.00 0.00 H new ATOM 0 HA GLN A 41 7.071 9.534 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.706 11.018 0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.477 9.533 -0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.754 11.430 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.350 10.466 -1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.893 12.493 0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.602 13.698 0.932 1.00 0.00 H new ATOM 651 N GLY A 42 8.429 7.443 1.073 1.00 0.00 N ATOM 652 CA GLY A 42 9.029 6.223 1.670 1.00 0.00 C ATOM 653 C GLY A 42 8.809 5.035 0.735 1.00 0.00 C ATOM 654 O GLY A 42 8.355 5.180 -0.382 1.00 0.00 O ATOM 0 H GLY A 42 7.836 7.285 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.095 6.374 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.579 6.022 2.642 1.00 0.00 H new ATOM 658 N TYR A 43 9.135 3.853 1.192 1.00 0.00 N ATOM 659 CA TYR A 43 8.960 2.626 0.354 1.00 0.00 C ATOM 660 C TYR A 43 8.226 1.563 1.165 1.00 0.00 C ATOM 661 O TYR A 43 8.488 1.370 2.336 1.00 0.00 O ATOM 662 CB TYR A 43 10.330 2.095 -0.058 1.00 0.00 C ATOM 663 CG TYR A 43 10.969 3.068 -1.018 1.00 0.00 C ATOM 664 CD1 TYR A 43 11.694 4.162 -0.532 1.00 0.00 C ATOM 665 CD2 TYR A 43 10.836 2.871 -2.396 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.283 5.063 -1.427 1.00 0.00 C ATOM 667 CE2 TYR A 43 11.425 3.770 -3.291 1.00 0.00 C ATOM 668 CZ TYR A 43 12.150 4.866 -2.808 1.00 0.00 C ATOM 669 OH TYR A 43 12.731 5.752 -3.691 1.00 0.00 O ATOM 0 H TYR A 43 9.520 3.683 2.121 1.00 0.00 H new ATOM 0 HA TYR A 43 8.382 2.870 -0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.962 1.964 0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.228 1.116 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.799 4.311 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.278 2.025 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.840 5.910 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.320 3.619 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 43 12.543 5.468 -4.610 1.00 0.00 H new ATOM 679 N ILE A 44 7.309 0.865 0.543 1.00 0.00 N ATOM 680 CA ILE A 44 6.544 -0.199 1.261 1.00 0.00 C ATOM 681 C ILE A 44 6.892 -1.549 0.650 1.00 0.00 C ATOM 682 O ILE A 44 6.879 -1.719 -0.554 1.00 0.00 O ATOM 683 CB ILE A 44 5.043 0.062 1.118 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.272 -0.991 1.913 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.633 -0.007 -0.355 1.00 0.00 C ATOM 686 CD1 ILE A 44 2.806 -0.574 2.029 1.00 0.00 C ATOM 0 H ILE A 44 7.056 0.988 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 44 6.805 -0.194 2.319 1.00 0.00 H new ATOM 0 HB ILE A 44 4.814 1.056 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.347 -1.960 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.708 -1.103 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.563 0.180 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.181 0.746 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.862 -0.997 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.258 -1.326 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.740 0.386 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.373 -0.484 1.033 1.00 0.00 H new ATOM 698 N GLU A 45 7.220 -2.514 1.480 1.00 0.00 N ATOM 699 CA GLU A 45 7.596 -3.871 0.962 1.00 0.00 C ATOM 700 C GLU A 45 6.695 -4.933 1.584 1.00 0.00 C ATOM 701 O GLU A 45 6.202 -4.786 2.686 1.00 0.00 O ATOM 702 CB GLU A 45 9.050 -4.174 1.335 1.00 0.00 C ATOM 703 CG GLU A 45 9.462 -5.522 0.735 1.00 0.00 C ATOM 704 CD GLU A 45 10.929 -5.807 1.054 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.614 -4.886 1.465 1.00 0.00 O ATOM 706 OE2 GLU A 45 11.340 -6.943 0.885 1.00 0.00 O ATOM 0 H GLU A 45 7.243 -2.420 2.495 1.00 0.00 H new ATOM 0 HA GLU A 45 7.478 -3.882 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.704 -3.384 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.161 -4.197 2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.833 -6.316 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.311 -5.511 -0.344 1.00 0.00 H new ATOM 713 N ASP A 46 6.479 -6.013 0.877 1.00 0.00 N ATOM 714 CA ASP A 46 5.610 -7.097 1.412 1.00 0.00 C ATOM 715 C ASP A 46 5.979 -8.431 0.747 1.00 0.00 C ATOM 716 O ASP A 46 7.045 -8.586 0.180 1.00 0.00 O ATOM 717 CB ASP A 46 4.144 -6.765 1.117 1.00 0.00 C ATOM 718 CG ASP A 46 3.229 -7.644 1.977 1.00 0.00 C ATOM 719 OD1 ASP A 46 3.643 -8.016 3.062 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.132 -7.938 1.530 1.00 0.00 O ATOM 0 H ASP A 46 6.869 -6.188 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 46 5.755 -7.180 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.951 -5.712 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.931 -6.927 0.060 1.00 0.00 H new ATOM 725 N ASP A 47 5.102 -9.397 0.819 1.00 0.00 N ATOM 726 CA ASP A 47 5.380 -10.729 0.206 1.00 0.00 C ATOM 727 C ASP A 47 5.259 -10.650 -1.322 1.00 0.00 C ATOM 728 O ASP A 47 5.509 -11.613 -2.023 1.00 0.00 O ATOM 729 CB ASP A 47 4.369 -11.742 0.744 1.00 0.00 C ATOM 730 CG ASP A 47 4.651 -12.005 2.224 1.00 0.00 C ATOM 731 OD1 ASP A 47 5.712 -11.618 2.682 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.797 -12.587 2.875 1.00 0.00 O ATOM 0 H ASP A 47 4.196 -9.319 1.281 1.00 0.00 H new ATOM 0 HA ASP A 47 6.394 -11.037 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.355 -11.362 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.434 -12.672 0.179 1.00 0.00 H new ATOM 737 N THR A 48 4.880 -9.516 -1.851 1.00 0.00 N ATOM 738 CA THR A 48 4.748 -9.377 -3.338 1.00 0.00 C ATOM 739 C THR A 48 5.975 -8.651 -3.889 1.00 0.00 C ATOM 740 O THR A 48 6.733 -9.189 -4.672 1.00 0.00 O ATOM 741 CB THR A 48 3.493 -8.563 -3.672 1.00 0.00 C ATOM 742 OG1 THR A 48 3.764 -7.185 -3.469 1.00 0.00 O ATOM 743 CG2 THR A 48 2.331 -8.992 -2.776 1.00 0.00 C ATOM 0 H THR A 48 4.655 -8.676 -1.318 1.00 0.00 H new ATOM 0 HA THR A 48 4.670 -10.367 -3.786 1.00 0.00 H new ATOM 0 HB THR A 48 3.219 -8.738 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.855 -7.007 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.446 -8.406 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.122 -10.050 -2.933 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.596 -8.826 -1.732 1.00 0.00 H new ATOM 751 N ALA A 49 6.184 -7.427 -3.485 1.00 0.00 N ATOM 752 CA ALA A 49 7.370 -6.680 -3.995 1.00 0.00 C ATOM 753 C ALA A 49 7.537 -5.364 -3.235 1.00 0.00 C ATOM 754 O ALA A 49 7.185 -5.248 -2.078 1.00 0.00 O ATOM 755 CB ALA A 49 7.188 -6.369 -5.480 1.00 0.00 C ATOM 0 H ALA A 49 5.592 -6.916 -2.831 1.00 0.00 H new ATOM 0 HA ALA A 49 8.255 -7.299 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.057 -5.823 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.083 -7.300 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.294 -5.761 -5.618 1.00 0.00 H new ATOM 761 N ARG A 50 8.091 -4.368 -3.887 1.00 0.00 N ATOM 762 CA ARG A 50 8.308 -3.046 -3.219 1.00 0.00 C ATOM 763 C ARG A 50 7.883 -1.911 -4.158 1.00 0.00 C ATOM 764 O ARG A 50 8.035 -1.989 -5.362 1.00 0.00 O ATOM 765 CB ARG A 50 9.794 -2.904 -2.876 1.00 0.00 C ATOM 766 CG ARG A 50 10.040 -1.585 -2.133 1.00 0.00 C ATOM 767 CD ARG A 50 11.538 -1.430 -1.834 1.00 0.00 C ATOM 768 NE ARG A 50 11.962 -2.459 -0.836 1.00 0.00 N ATOM 769 CZ ARG A 50 13.209 -2.530 -0.452 1.00 0.00 C ATOM 770 NH1 ARG A 50 14.101 -1.719 -0.949 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.567 -3.423 0.431 1.00 0.00 N ATOM 0 H ARG A 50 8.403 -4.415 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 50 7.711 -2.991 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.114 -3.743 -2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.390 -2.933 -3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.691 -0.747 -2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.470 -1.568 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.115 -1.540 -2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.740 -0.431 -1.449 1.00 0.00 H new ATOM 0 HE ARG A 50 11.275 -3.108 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.827 -1.023 -1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.072 -1.781 -0.644 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.874 -4.063 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.540 -3.481 0.733 1.00 0.00 H new ATOM 785 N ILE A 51 7.352 -0.846 -3.609 1.00 0.00 N ATOM 786 CA ILE A 51 6.922 0.304 -4.463 1.00 0.00 C ATOM 787 C ILE A 51 7.045 1.616 -3.678 1.00 0.00 C ATOM 788 O ILE A 51 6.921 1.650 -2.469 1.00 0.00 O ATOM 789 CB ILE A 51 5.475 0.104 -4.915 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.063 1.267 -5.821 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.552 0.047 -3.698 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.741 0.932 -6.512 1.00 0.00 C ATOM 0 H ILE A 51 7.198 -0.724 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 51 7.567 0.353 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 51 5.394 -0.834 -5.465 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.958 2.179 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.837 1.454 -6.565 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.523 -0.096 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.846 -0.784 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.628 0.980 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.448 1.760 -7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.862 0.030 -7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.969 0.767 -5.760 1.00 0.00 H new ATOM 804 N ARG A 52 7.297 2.696 -4.368 1.00 0.00 N ATOM 805 CA ARG A 52 7.441 4.019 -3.687 1.00 0.00 C ATOM 806 C ARG A 52 6.076 4.529 -3.219 1.00 0.00 C ATOM 807 O ARG A 52 5.061 4.308 -3.852 1.00 0.00 O ATOM 808 CB ARG A 52 8.046 5.023 -4.671 1.00 0.00 C ATOM 809 CG ARG A 52 8.274 6.369 -3.974 1.00 0.00 C ATOM 810 CD ARG A 52 8.902 7.358 -4.960 1.00 0.00 C ATOM 811 NE ARG A 52 9.276 8.609 -4.234 1.00 0.00 N ATOM 812 CZ ARG A 52 9.563 9.696 -4.896 1.00 0.00 C ATOM 813 NH1 ARG A 52 9.526 9.703 -6.199 1.00 0.00 N ATOM 814 NH2 ARG A 52 9.886 10.782 -4.250 1.00 0.00 N ATOM 0 H ARG A 52 7.410 2.720 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 52 8.090 3.905 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.990 4.641 -5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.381 5.154 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.328 6.762 -3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.926 6.237 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.784 6.916 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.200 7.585 -5.762 1.00 0.00 H new ATOM 0 HE ARG A 52 9.307 8.613 -3.214 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.272 8.856 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.751 10.556 -6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.914 10.780 -3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.111 11.634 -4.764 1.00 0.00 H new ATOM 828 N ILE A 53 6.052 5.229 -2.107 1.00 0.00 N ATOM 829 CA ILE A 53 4.766 5.786 -1.578 1.00 0.00 C ATOM 830 C ILE A 53 4.955 7.255 -1.204 1.00 0.00 C ATOM 831 O ILE A 53 6.055 7.719 -0.971 1.00 0.00 O ATOM 832 CB ILE A 53 4.319 4.989 -0.348 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.415 5.008 0.727 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.030 3.544 -0.758 1.00 0.00 C ATOM 835 CD1 ILE A 53 4.874 4.387 2.015 1.00 0.00 C ATOM 0 H ILE A 53 6.874 5.439 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 53 3.999 5.709 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 53 3.417 5.444 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.288 4.454 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.740 6.032 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.712 2.975 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.239 3.530 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.933 3.096 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.651 4.400 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.014 4.960 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.571 3.358 1.823 1.00 0.00 H new ATOM 847 N SER A 54 3.881 7.996 -1.140 1.00 0.00 N ATOM 848 CA SER A 54 3.982 9.439 -0.777 1.00 0.00 C ATOM 849 C SER A 54 2.773 9.826 0.069 1.00 0.00 C ATOM 850 O SER A 54 1.639 9.609 -0.312 1.00 0.00 O ATOM 851 CB SER A 54 4.011 10.287 -2.046 1.00 0.00 C ATOM 852 OG SER A 54 5.196 9.990 -2.773 1.00 0.00 O ATOM 0 H SER A 54 2.935 7.662 -1.324 1.00 0.00 H new ATOM 0 HA SER A 54 4.897 9.611 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.132 10.080 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.981 11.347 -1.792 1.00 0.00 H new ATOM 0 HG SER A 54 5.222 10.529 -3.591 1.00 0.00 H new ATOM 858 N SER A 55 3.011 10.399 1.223 1.00 0.00 N ATOM 859 CA SER A 55 1.889 10.808 2.124 1.00 0.00 C ATOM 860 C SER A 55 1.864 12.328 2.242 1.00 0.00 C ATOM 861 O SER A 55 2.865 12.962 2.515 1.00 0.00 O ATOM 862 CB SER A 55 2.100 10.187 3.502 1.00 0.00 C ATOM 863 OG SER A 55 1.148 10.720 4.411 1.00 0.00 O ATOM 0 H SER A 55 3.944 10.603 1.583 1.00 0.00 H new ATOM 0 HA SER A 55 0.940 10.464 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.997 9.103 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.111 10.393 3.855 1.00 0.00 H new ATOM 0 HG SER A 55 1.600 11.308 5.051 1.00 0.00 H new ATOM 869 N PHE A 56 0.722 12.922 2.009 1.00 0.00 N ATOM 870 CA PHE A 56 0.621 14.411 2.075 1.00 0.00 C ATOM 871 C PHE A 56 0.129 14.865 3.449 1.00 0.00 C ATOM 872 O PHE A 56 -0.945 14.508 3.894 1.00 0.00 O ATOM 873 CB PHE A 56 -0.355 14.882 1.000 1.00 0.00 C ATOM 874 CG PHE A 56 0.298 14.744 -0.357 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.261 15.674 -0.764 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.044 13.678 -1.199 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.873 15.546 -2.015 1.00 0.00 C ATOM 878 CE2 PHE A 56 0.569 13.550 -2.451 1.00 0.00 C ATOM 879 CZ PHE A 56 1.530 14.481 -2.858 1.00 0.00 C ATOM 0 H PHE A 56 -0.146 12.440 1.776 1.00 0.00 H new ATOM 0 HA PHE A 56 1.608 14.843 1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.270 14.291 1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.638 15.920 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.532 16.491 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.781 12.955 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.611 16.269 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.300 12.732 -3.103 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.007 14.379 -3.821 1.00 0.00 H new ATOM 889 N GLY A 57 0.915 15.671 4.118 1.00 0.00 N ATOM 890 CA GLY A 57 0.511 16.177 5.461 1.00 0.00 C ATOM 891 C GLY A 57 0.756 15.115 6.536 1.00 0.00 C ATOM 892 O GLY A 57 1.308 15.393 7.585 1.00 0.00 O ATOM 0 H GLY A 57 1.822 16.000 3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.074 17.079 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.543 16.453 5.449 1.00 0.00 H new ATOM 896 N LYS A 58 0.337 13.904 6.298 1.00 0.00 N ATOM 897 CA LYS A 58 0.535 12.836 7.320 1.00 0.00 C ATOM 898 C LYS A 58 1.946 12.250 7.223 1.00 0.00 C ATOM 899 O LYS A 58 2.451 11.963 6.154 1.00 0.00 O ATOM 900 CB LYS A 58 -0.500 11.736 7.101 1.00 0.00 C ATOM 901 CG LYS A 58 -1.886 12.272 7.467 1.00 0.00 C ATOM 902 CD LYS A 58 -2.935 11.177 7.259 1.00 0.00 C ATOM 903 CE LYS A 58 -4.301 11.677 7.734 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.713 12.856 6.919 1.00 0.00 N ATOM 0 H LYS A 58 -0.133 13.607 5.443 1.00 0.00 H new ATOM 0 HA LYS A 58 0.412 13.267 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.486 11.408 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.260 10.866 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.895 12.605 8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.125 13.139 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.984 10.902 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.653 10.280 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.042 10.883 7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.253 11.950 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.751 12.897 6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.353 13.726 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.323 12.768 5.959 1.00 0.00 H new ATOM 918 N GLN A 59 2.583 12.077 8.352 1.00 0.00 N ATOM 919 CA GLN A 59 3.965 11.517 8.376 1.00 0.00 C ATOM 920 C GLN A 59 3.913 9.992 8.485 1.00 0.00 C ATOM 921 O GLN A 59 2.891 9.414 8.799 1.00 0.00 O ATOM 922 CB GLN A 59 4.732 12.100 9.571 1.00 0.00 C ATOM 923 CG GLN A 59 4.241 11.481 10.890 1.00 0.00 C ATOM 924 CD GLN A 59 2.717 11.570 10.976 1.00 0.00 C ATOM 925 OE1 GLN A 59 2.150 12.637 10.832 1.00 0.00 O ATOM 926 NE2 GLN A 59 2.022 10.490 11.208 1.00 0.00 N ATOM 0 H GLN A 59 2.198 12.303 9.269 1.00 0.00 H new ATOM 0 HA GLN A 59 4.476 11.785 7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.799 11.912 9.451 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.600 13.182 9.601 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.556 10.439 10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.692 12.001 11.735 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.496 9.595 11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.005 10.541 11.268 1.00 0.00 H new ATOM 935 N LEU A 60 5.019 9.340 8.230 1.00 0.00 N ATOM 936 CA LEU A 60 5.067 7.847 8.313 1.00 0.00 C ATOM 937 C LEU A 60 6.170 7.426 9.282 1.00 0.00 C ATOM 938 O LEU A 60 7.088 8.172 9.564 1.00 0.00 O ATOM 939 CB LEU A 60 5.375 7.276 6.931 1.00 0.00 C ATOM 940 CG LEU A 60 4.300 7.722 5.935 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.652 7.185 4.545 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.924 7.184 6.367 1.00 0.00 C ATOM 0 H LEU A 60 5.899 9.782 7.965 1.00 0.00 H new ATOM 0 HA LEU A 60 4.106 7.472 8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.356 7.615 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.412 6.188 6.977 1.00 0.00 H new ATOM 0 HG LEU A 60 4.259 8.811 5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.891 7.499 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.622 7.577 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.694 6.096 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.167 7.507 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.953 6.095 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.677 7.569 7.356 1.00 0.00 H new ATOM 954 N GLN A 61 6.073 6.226 9.801 1.00 0.00 N ATOM 955 CA GLN A 61 7.095 5.721 10.767 1.00 0.00 C ATOM 956 C GLN A 61 7.972 4.657 10.091 1.00 0.00 C ATOM 957 O GLN A 61 7.502 3.758 9.410 1.00 0.00 O ATOM 958 CB GLN A 61 6.371 5.122 11.977 1.00 0.00 C ATOM 959 CG GLN A 61 5.927 6.242 12.925 1.00 0.00 C ATOM 960 CD GLN A 61 7.150 6.834 13.630 1.00 0.00 C ATOM 961 OE1 GLN A 61 7.795 7.725 13.110 1.00 0.00 O ATOM 962 NE2 GLN A 61 7.502 6.371 14.796 1.00 0.00 N ATOM 0 H GLN A 61 5.321 5.569 9.593 1.00 0.00 H new ATOM 0 HA GLN A 61 7.737 6.539 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.505 4.548 11.647 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.031 4.430 12.501 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.405 7.019 12.367 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.224 5.852 13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.962 5.624 15.232 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.318 6.756 15.272 1.00 0.00 H new ATOM 971 N ASP A 62 9.257 4.777 10.266 1.00 0.00 N ATOM 972 CA ASP A 62 10.207 3.819 9.635 1.00 0.00 C ATOM 973 C ASP A 62 9.959 2.386 10.122 1.00 0.00 C ATOM 974 O ASP A 62 9.652 2.141 11.272 1.00 0.00 O ATOM 975 CB ASP A 62 11.633 4.240 9.982 1.00 0.00 C ATOM 976 CG ASP A 62 12.634 3.362 9.227 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.209 2.400 8.615 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.814 3.668 9.278 1.00 0.00 O ATOM 0 H ASP A 62 9.696 5.507 10.827 1.00 0.00 H new ATOM 0 HA ASP A 62 10.057 3.836 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.786 5.287 9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.796 4.152 11.056 1.00 0.00 H new ATOM 983 N SER A 63 10.108 1.443 9.230 1.00 0.00 N ATOM 984 CA SER A 63 9.905 0.011 9.583 1.00 0.00 C ATOM 985 C SER A 63 8.560 -0.173 10.287 1.00 0.00 C ATOM 986 O SER A 63 8.386 -1.057 11.103 1.00 0.00 O ATOM 987 CB SER A 63 11.046 -0.467 10.486 1.00 0.00 C ATOM 988 OG SER A 63 12.268 0.088 10.022 1.00 0.00 O ATOM 0 H SER A 63 10.366 1.609 8.257 1.00 0.00 H new ATOM 0 HA SER A 63 9.903 -0.584 8.670 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.862 -0.164 11.517 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.101 -1.556 10.479 1.00 0.00 H new ATOM 0 HG SER A 63 13.003 -0.212 10.597 1.00 0.00 H new ATOM 994 N ASP A 64 7.598 0.655 9.974 1.00 0.00 N ATOM 995 CA ASP A 64 6.259 0.526 10.624 1.00 0.00 C ATOM 996 C ASP A 64 5.312 -0.317 9.759 1.00 0.00 C ATOM 997 O ASP A 64 5.132 -0.071 8.581 1.00 0.00 O ATOM 998 CB ASP A 64 5.671 1.911 10.831 1.00 0.00 C ATOM 999 CG ASP A 64 4.315 1.801 11.532 1.00 0.00 C ATOM 1000 OD1 ASP A 64 3.839 0.687 11.691 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.774 2.831 11.896 1.00 0.00 O ATOM 0 H ASP A 64 7.681 1.414 9.298 1.00 0.00 H new ATOM 0 HA ASP A 64 6.379 0.026 11.585 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.351 2.519 11.428 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.554 2.413 9.871 1.00 0.00 H new ATOM 1006 N VAL A 65 4.689 -1.303 10.351 1.00 0.00 N ATOM 1007 CA VAL A 65 3.735 -2.165 9.593 1.00 0.00 C ATOM 1008 C VAL A 65 2.341 -1.551 9.681 1.00 0.00 C ATOM 1009 O VAL A 65 1.734 -1.517 10.734 1.00 0.00 O ATOM 1010 CB VAL A 65 3.723 -3.561 10.202 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.703 -4.430 9.468 1.00 0.00 C ATOM 1012 CG2 VAL A 65 5.116 -4.188 10.058 1.00 0.00 C ATOM 0 H VAL A 65 4.802 -1.549 11.334 1.00 0.00 H new ATOM 0 HA VAL A 65 4.040 -2.234 8.549 1.00 0.00 H new ATOM 0 HB VAL A 65 3.454 -3.495 11.256 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.695 -5.429 9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.712 -3.985 9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.973 -4.497 8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.112 -5.188 10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.379 -4.253 9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.849 -3.570 10.577 1.00 0.00 H new ATOM 1022 N VAL A 66 1.827 -1.050 8.584 1.00 0.00 N ATOM 1023 CA VAL A 66 0.470 -0.422 8.616 1.00 0.00 C ATOM 1024 C VAL A 66 -0.323 -0.810 7.371 1.00 0.00 C ATOM 1025 O VAL A 66 0.211 -1.318 6.396 1.00 0.00 O ATOM 1026 CB VAL A 66 0.607 1.102 8.674 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.487 1.498 9.866 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.237 1.613 7.378 1.00 0.00 C ATOM 0 H VAL A 66 2.286 -1.049 7.673 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.058 -0.777 9.501 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.381 1.546 8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.582 2.583 9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.031 1.141 10.789 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.475 1.051 9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.333 2.698 7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.223 1.167 7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.605 1.339 6.533 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.608 -0.561 7.406 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.498 -0.882 6.253 1.00 0.00 C ATOM 1040 C ARG A 67 -3.125 0.413 5.738 1.00 0.00 C ATOM 1041 O ARG A 67 -3.704 1.175 6.489 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.597 -1.836 6.722 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.516 -2.183 5.549 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.523 -3.253 5.983 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.415 -2.691 7.042 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.300 -3.448 7.634 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.411 -4.708 7.314 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -8.075 -2.941 8.553 1.00 0.00 N ATOM 0 H ARG A 67 -2.085 -0.140 8.203 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.926 -1.354 5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.153 -2.744 7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.174 -1.375 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.042 -1.291 5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.926 -2.545 4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.115 -3.579 5.128 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.998 -4.130 6.361 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.332 -1.709 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.805 -5.108 6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.104 -5.293 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.989 -1.957 8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.767 -3.529 9.018 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.005 0.678 4.460 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.581 1.933 3.886 1.00 0.00 C ATOM 1064 C ILE A 68 -4.819 1.593 3.063 1.00 0.00 C ATOM 1065 O ILE A 68 -4.789 0.750 2.186 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.540 2.601 2.989 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.283 2.892 3.815 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.103 3.917 2.447 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.158 3.366 2.895 1.00 0.00 C ATOM 0 H ILE A 68 -2.531 0.076 3.787 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.858 2.612 4.693 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.294 1.941 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.497 3.654 4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.973 1.995 4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.361 4.394 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.005 3.716 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.345 4.579 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.734 3.572 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.064 2.590 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.468 4.275 2.379 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.913 2.256 3.343 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.180 2.001 2.594 1.00 0.00 C ATOM 1083 C ASP A 69 -7.519 3.213 1.726 1.00 0.00 C ATOM 1084 O ASP A 69 -7.264 4.349 2.094 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.314 1.761 3.590 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.126 0.395 4.256 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.242 -0.331 3.833 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.873 0.099 5.173 1.00 0.00 O ATOM 0 H ASP A 69 -5.982 2.971 4.067 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.054 1.125 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.323 2.548 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.276 1.799 3.079 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.093 2.962 0.575 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.463 4.062 -0.363 1.00 0.00 C ATOM 1095 C ASN A 70 -7.191 4.787 -0.826 1.00 0.00 C ATOM 1096 O ASN A 70 -7.159 5.994 -0.978 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.410 5.044 0.339 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.111 5.915 -0.704 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.445 5.449 -1.776 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.353 7.168 -0.433 1.00 0.00 N ATOM 0 H ASN A 70 -8.323 2.026 0.243 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.972 3.646 -1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.148 4.497 0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.851 5.670 1.034 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.823 7.757 -1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.073 7.559 0.467 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.137 4.046 -1.057 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.860 4.667 -1.515 1.00 0.00 C ATOM 1109 C ALA A 71 -4.977 5.068 -2.987 1.00 0.00 C ATOM 1110 O ALA A 71 -5.460 4.318 -3.808 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.719 3.660 -1.346 1.00 0.00 C ATOM 0 H ALA A 71 -6.107 3.032 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.655 5.556 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.784 4.110 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.633 3.381 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.927 2.771 -1.942 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.534 6.249 -3.322 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.620 6.716 -4.735 1.00 0.00 C ATOM 1119 C ARG A 72 -3.376 6.279 -5.514 1.00 0.00 C ATOM 1120 O ARG A 72 -2.260 6.363 -5.038 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.720 8.240 -4.742 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.886 8.746 -6.174 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.071 10.265 -6.162 1.00 0.00 C ATOM 1124 NE ARG A 72 -5.307 10.754 -7.556 1.00 0.00 N ATOM 1125 CZ ARG A 72 -6.513 10.790 -8.055 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -7.536 10.396 -7.349 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -6.695 11.230 -9.272 1.00 0.00 N ATOM 0 H ARG A 72 -4.114 6.915 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.499 6.280 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.566 8.560 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.825 8.673 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.012 8.480 -6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.747 8.268 -6.642 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.913 10.534 -5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.187 10.746 -5.742 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.517 11.063 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.398 10.056 -6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.474 10.428 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.898 11.543 -9.826 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.634 11.261 -9.668 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.568 5.806 -6.719 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.416 5.351 -7.548 1.00 0.00 C ATOM 1143 C VAL A 73 -1.993 6.475 -8.494 1.00 0.00 C ATOM 1144 O VAL A 73 -2.808 7.093 -9.151 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.834 4.129 -8.361 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.731 3.771 -9.360 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.061 2.954 -7.410 1.00 0.00 C ATOM 0 H VAL A 73 -4.481 5.716 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.579 5.090 -6.901 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.752 4.348 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.033 2.898 -9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.563 4.612 -10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.810 3.548 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.360 2.076 -7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.139 2.739 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.846 3.208 -6.698 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.717 6.746 -8.563 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.222 7.830 -9.459 1.00 0.00 C ATOM 1159 C ALA A 74 1.055 7.369 -10.154 1.00 0.00 C ATOM 1160 O ALA A 74 1.771 6.516 -9.667 1.00 0.00 O ATOM 1161 CB ALA A 74 0.078 9.077 -8.631 1.00 0.00 C ATOM 0 H ALA A 74 0.007 6.260 -8.034 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.983 8.060 -10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.440 9.870 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.831 9.408 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.840 8.845 -7.887 1.00 0.00 H new ATOM 1167 N GLN A 75 1.343 7.935 -11.299 1.00 0.00 N ATOM 1168 CA GLN A 75 2.572 7.552 -12.059 1.00 0.00 C ATOM 1169 C GLN A 75 3.486 8.771 -12.184 1.00 0.00 C ATOM 1170 O GLN A 75 3.141 9.758 -12.804 1.00 0.00 O ATOM 1171 CB GLN A 75 2.168 7.075 -13.455 1.00 0.00 C ATOM 1172 CG GLN A 75 3.422 6.735 -14.262 1.00 0.00 C ATOM 1173 CD GLN A 75 3.023 6.095 -15.592 1.00 0.00 C ATOM 1174 OE1 GLN A 75 2.341 6.706 -16.395 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.423 4.884 -15.860 1.00 0.00 N ATOM 0 H GLN A 75 0.773 8.654 -11.744 1.00 0.00 H new ATOM 0 HA GLN A 75 3.098 6.753 -11.536 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.523 6.199 -13.379 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.595 7.850 -13.964 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.005 7.638 -14.443 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.057 6.053 -13.696 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.994 4.375 -15.186 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.165 4.446 -16.744 1.00 0.00 H new ATOM 1184 N PHE A 76 4.656 8.704 -11.594 1.00 0.00 N ATOM 1185 CA PHE A 76 5.617 9.850 -11.665 1.00 0.00 C ATOM 1186 C PHE A 76 6.959 9.367 -12.210 1.00 0.00 C ATOM 1187 O PHE A 76 7.479 8.346 -11.811 1.00 0.00 O ATOM 1188 CB PHE A 76 5.815 10.436 -10.266 1.00 0.00 C ATOM 1189 CG PHE A 76 4.578 11.211 -9.872 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.324 12.456 -10.456 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.686 10.682 -8.931 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.179 13.176 -10.099 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.541 11.402 -8.574 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.286 12.649 -9.157 1.00 0.00 C ATOM 0 H PHE A 76 4.988 7.899 -11.063 1.00 0.00 H new ATOM 0 HA PHE A 76 5.215 10.616 -12.328 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.003 9.638 -9.548 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.688 11.089 -10.252 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.012 12.862 -11.183 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.882 9.720 -8.482 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.983 14.138 -10.549 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.853 10.995 -7.848 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.402 13.204 -8.881 1.00 0.00 H new ATOM 1204 N ASN A 77 7.517 10.111 -13.126 1.00 0.00 N ATOM 1205 CA ASN A 77 8.831 9.738 -13.731 1.00 0.00 C ATOM 1206 C ASN A 77 8.749 8.331 -14.335 1.00 0.00 C ATOM 1207 O ASN A 77 9.726 7.612 -14.416 1.00 0.00 O ATOM 1208 CB ASN A 77 9.933 9.799 -12.664 1.00 0.00 C ATOM 1209 CG ASN A 77 10.211 11.261 -12.301 1.00 0.00 C ATOM 1210 OD1 ASN A 77 10.498 11.571 -11.162 1.00 0.00 O ATOM 1211 ND2 ASN A 77 10.139 12.184 -13.226 1.00 0.00 N ATOM 0 H ASN A 77 7.113 10.975 -13.487 1.00 0.00 H new ATOM 0 HA ASN A 77 9.073 10.444 -14.525 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.626 9.245 -11.777 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.842 9.326 -13.037 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.324 13.159 -12.989 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.898 11.929 -14.184 1.00 0.00 H new ATOM 1218 N GLY A 78 7.586 7.942 -14.781 1.00 0.00 N ATOM 1219 CA GLY A 78 7.432 6.594 -15.396 1.00 0.00 C ATOM 1220 C GLY A 78 7.408 5.522 -14.306 1.00 0.00 C ATOM 1221 O GLY A 78 7.435 4.338 -14.587 1.00 0.00 O ATOM 0 H GLY A 78 6.734 8.501 -14.746 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.511 6.554 -15.978 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.254 6.404 -16.086 1.00 0.00 H new ATOM 1225 N TYR A 79 7.361 5.928 -13.061 1.00 0.00 N ATOM 1226 CA TYR A 79 7.339 4.940 -11.936 1.00 0.00 C ATOM 1227 C TYR A 79 6.004 5.023 -11.196 1.00 0.00 C ATOM 1228 O TYR A 79 5.505 6.092 -10.892 1.00 0.00 O ATOM 1229 CB TYR A 79 8.479 5.252 -10.970 1.00 0.00 C ATOM 1230 CG TYR A 79 9.796 4.951 -11.645 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.259 3.630 -11.712 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.551 5.985 -12.208 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.479 3.347 -12.337 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.772 5.701 -12.833 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.235 4.382 -12.900 1.00 0.00 C ATOM 1236 OH TYR A 79 13.438 4.102 -13.515 1.00 0.00 O ATOM 0 H TYR A 79 7.337 6.906 -12.774 1.00 0.00 H new ATOM 0 HA TYR A 79 7.462 3.934 -12.337 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.441 6.299 -10.670 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.377 4.656 -10.063 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.675 2.830 -11.281 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.193 7.003 -12.161 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.837 2.329 -12.385 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.357 6.501 -13.264 1.00 0.00 H new ATOM 0 HH TYR A 79 13.834 4.932 -13.853 1.00 0.00 H new ATOM 1246 N LEU A 80 5.418 3.894 -10.910 1.00 0.00 N ATOM 1247 CA LEU A 80 4.109 3.880 -10.200 1.00 0.00 C ATOM 1248 C LEU A 80 4.322 4.091 -8.703 1.00 0.00 C ATOM 1249 O LEU A 80 5.275 3.612 -8.119 1.00 0.00 O ATOM 1250 CB LEU A 80 3.428 2.531 -10.434 1.00 0.00 C ATOM 1251 CG LEU A 80 3.192 2.323 -11.938 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.577 0.937 -12.166 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.241 3.406 -12.480 1.00 0.00 C ATOM 0 H LEU A 80 5.793 2.974 -11.140 1.00 0.00 H new ATOM 0 HA LEU A 80 3.481 4.684 -10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.048 1.726 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.479 2.494 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 80 4.144 2.395 -12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.408 0.785 -13.232 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.258 0.171 -11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.628 0.868 -11.634 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.081 3.249 -13.547 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.286 3.347 -11.957 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.682 4.390 -12.320 1.00 0.00 H new ATOM 1265 N SER A 81 3.429 4.806 -8.074 1.00 0.00 N ATOM 1266 CA SER A 81 3.564 5.055 -6.612 1.00 0.00 C ATOM 1267 C SER A 81 2.177 5.255 -6.004 1.00 0.00 C ATOM 1268 O SER A 81 1.224 5.583 -6.686 1.00 0.00 O ATOM 1269 CB SER A 81 4.404 6.308 -6.379 1.00 0.00 C ATOM 1270 OG SER A 81 5.684 6.130 -6.975 1.00 0.00 O ATOM 0 H SER A 81 2.610 5.229 -8.511 1.00 0.00 H new ATOM 0 HA SER A 81 4.052 4.201 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.908 7.178 -6.808 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.510 6.496 -5.311 1.00 0.00 H new ATOM 0 HG SER A 81 6.227 6.933 -6.830 1.00 0.00 H new ATOM 1276 N LEU A 82 2.058 5.059 -4.716 1.00 0.00 N ATOM 1277 CA LEU A 82 0.735 5.232 -4.039 1.00 0.00 C ATOM 1278 C LEU A 82 0.730 6.550 -3.269 1.00 0.00 C ATOM 1279 O LEU A 82 1.610 6.826 -2.477 1.00 0.00 O ATOM 1280 CB LEU A 82 0.521 4.072 -3.065 1.00 0.00 C ATOM 1281 CG LEU A 82 0.602 2.742 -3.827 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.415 1.582 -2.843 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.489 2.689 -4.911 1.00 0.00 C ATOM 0 H LEU A 82 2.824 4.785 -4.100 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.063 5.243 -4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.276 4.099 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.450 4.166 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 82 1.578 2.659 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.472 0.636 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.199 1.617 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.559 1.667 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.424 1.742 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.470 2.775 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.347 3.512 -5.611 1.00 0.00 H new ATOM 1295 N SER A 83 -0.265 7.370 -3.504 1.00 0.00 N ATOM 1296 CA SER A 83 -0.356 8.687 -2.803 1.00 0.00 C ATOM 1297 C SER A 83 -1.470 8.634 -1.758 1.00 0.00 C ATOM 1298 O SER A 83 -2.606 8.307 -2.051 1.00 0.00 O ATOM 1299 CB SER A 83 -0.659 9.779 -3.827 1.00 0.00 C ATOM 1300 OG SER A 83 0.475 9.948 -4.672 1.00 0.00 O ATOM 0 H SER A 83 -1.025 7.180 -4.158 1.00 0.00 H new ATOM 0 HA SER A 83 0.589 8.906 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.533 9.508 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.895 10.715 -3.321 1.00 0.00 H new ATOM 0 HG SER A 83 0.289 10.646 -5.334 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.147 8.951 -0.531 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.171 8.921 0.553 1.00 0.00 C ATOM 1308 C VAL A 84 -2.697 10.337 0.795 1.00 0.00 C ATOM 1309 O VAL A 84 -1.988 11.212 1.272 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.524 8.388 1.827 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.601 8.122 2.873 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.785 7.085 1.509 1.00 0.00 C ATOM 0 H VAL A 84 -0.213 9.231 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.001 8.276 0.264 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.819 9.123 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.138 7.741 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.129 9.049 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.307 7.385 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.320 6.699 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.492 6.351 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.016 7.276 0.761 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.942 10.562 0.458 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.553 11.911 0.639 1.00 0.00 C ATOM 1324 C GLY A 85 -5.219 12.017 2.013 1.00 0.00 C ATOM 1325 O GLY A 85 -5.209 11.094 2.801 1.00 0.00 O ATOM 0 H GLY A 85 -4.566 9.860 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.787 12.680 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.290 12.091 -0.144 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.807 13.148 2.296 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.492 13.340 3.607 1.00 0.00 C ATOM 1331 C ASP A 86 -7.771 12.496 3.644 1.00 0.00 C ATOM 1332 O ASP A 86 -8.326 12.227 4.692 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.846 14.820 3.777 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.736 15.278 2.617 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -8.198 14.429 1.874 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -7.940 16.476 2.492 1.00 0.00 O ATOM 0 H ASP A 86 -5.842 13.953 1.671 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.832 13.027 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.361 14.973 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.936 15.420 3.808 1.00 0.00 H new ATOM 1341 N SER A 87 -8.244 12.080 2.506 1.00 0.00 N ATOM 1342 CA SER A 87 -9.486 11.258 2.465 1.00 0.00 C ATOM 1343 C SER A 87 -9.130 9.783 2.678 1.00 0.00 C ATOM 1344 O SER A 87 -9.991 8.932 2.822 1.00 0.00 O ATOM 1345 CB SER A 87 -10.146 11.432 1.093 1.00 0.00 C ATOM 1346 OG SER A 87 -9.284 10.909 0.089 1.00 0.00 O ATOM 0 H SER A 87 -7.823 12.274 1.597 1.00 0.00 H new ATOM 0 HA SER A 87 -10.171 11.578 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.106 10.916 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.346 12.487 0.904 1.00 0.00 H new ATOM 0 HG SER A 87 -9.703 11.017 -0.790 1.00 0.00 H new ATOM 1352 N SER A 88 -7.864 9.470 2.694 1.00 0.00 N ATOM 1353 CA SER A 88 -7.443 8.054 2.885 1.00 0.00 C ATOM 1354 C SER A 88 -7.478 7.686 4.363 1.00 0.00 C ATOM 1355 O SER A 88 -7.557 8.540 5.225 1.00 0.00 O ATOM 1356 CB SER A 88 -6.023 7.868 2.354 1.00 0.00 C ATOM 1357 OG SER A 88 -6.064 7.810 0.937 1.00 0.00 O ATOM 0 H SER A 88 -7.100 10.137 2.583 1.00 0.00 H new ATOM 0 HA SER A 88 -8.131 7.407 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.388 8.693 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.588 6.953 2.756 1.00 0.00 H new ATOM 0 HG SER A 88 -6.546 7.004 0.656 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.415 6.410 4.662 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.440 5.970 6.091 1.00 0.00 C ATOM 1365 C ARG A 89 -6.254 5.046 6.362 1.00 0.00 C ATOM 1366 O ARG A 89 -5.966 4.142 5.603 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.738 5.216 6.369 1.00 0.00 C ATOM 1368 CG ARG A 89 -8.917 5.009 7.883 1.00 0.00 C ATOM 1369 CD ARG A 89 -9.596 6.236 8.503 1.00 0.00 C ATOM 1370 NE ARG A 89 -9.745 6.036 9.972 1.00 0.00 N ATOM 1371 CZ ARG A 89 -8.785 6.377 10.788 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -7.673 6.889 10.330 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -8.940 6.204 12.070 1.00 0.00 N ATOM 0 H ARG A 89 -7.347 5.656 3.978 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.378 6.844 6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.584 5.774 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.723 4.251 5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.517 4.118 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.948 4.843 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.004 7.130 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.573 6.393 8.046 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.604 5.629 10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.550 7.025 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.929 7.152 10.976 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -9.807 5.805 12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.194 6.468 12.714 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.557 5.279 7.449 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.373 4.433 7.796 1.00 0.00 C ATOM 1389 C ILE A 90 -4.650 3.664 9.086 1.00 0.00 C ATOM 1390 O ILE A 90 -5.055 4.229 10.085 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.160 5.334 8.001 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.831 6.038 6.683 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.966 4.487 8.440 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.792 7.133 6.931 1.00 0.00 C ATOM 0 H ILE A 90 -5.760 6.025 8.115 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.181 3.727 6.988 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.378 6.076 8.769 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.449 5.317 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.735 6.471 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.098 5.130 8.587 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.204 3.980 9.375 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.743 3.747 7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.559 7.633 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.191 7.859 7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.885 6.688 7.340 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.429 2.372 9.070 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.670 1.534 10.286 1.00 0.00 C ATOM 1408 C GLU A 91 -3.381 0.799 10.649 1.00 0.00 C ATOM 1409 O GLU A 91 -2.860 0.005 9.888 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.778 0.521 9.984 1.00 0.00 C ATOM 1411 CG GLU A 91 -7.104 1.262 9.776 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.519 1.952 11.080 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.564 1.278 12.094 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.777 3.144 11.039 1.00 0.00 O ATOM 0 H GLU A 91 -4.088 1.857 8.258 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.974 2.164 11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.527 -0.054 9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.871 -0.189 10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.999 2.000 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.878 0.562 9.461 1.00 0.00 H new ATOM 1421 N SER A 92 -2.855 1.078 11.809 1.00 0.00 N ATOM 1422 CA SER A 92 -1.590 0.423 12.240 1.00 0.00 C ATOM 1423 C SER A 92 -1.863 -1.005 12.706 1.00 0.00 C ATOM 1424 O SER A 92 -2.903 -1.307 13.257 1.00 0.00 O ATOM 1425 CB SER A 92 -0.973 1.222 13.385 1.00 0.00 C ATOM 1426 OG SER A 92 -0.600 2.508 12.909 1.00 0.00 O ATOM 0 H SER A 92 -3.250 1.736 12.481 1.00 0.00 H new ATOM 0 HA SER A 92 -0.901 0.392 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.686 1.317 14.204 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.101 0.700 13.780 1.00 0.00 H new ATOM 0 HG SER A 92 -0.205 3.026 13.641 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.925 -1.892 12.491 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.107 -3.306 12.923 1.00 0.00 C ATOM 1434 C VAL A 93 0.212 -3.825 13.501 1.00 0.00 C ATOM 1435 O VAL A 93 0.986 -4.483 12.833 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.512 -4.150 11.717 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -1.693 -5.605 12.148 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -2.832 -3.615 11.155 1.00 0.00 C ATOM 0 H VAL A 93 -0.036 -1.694 12.032 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.885 -3.368 13.684 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.737 -4.096 10.953 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.982 -6.206 11.286 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.756 -5.983 12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.471 -5.665 12.910 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.129 -4.212 10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.605 -3.675 11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.703 -2.576 10.850 1.00 0.00 H new ATOM 1448 N ASN A 94 0.470 -3.529 14.743 1.00 0.00 N ATOM 1449 CA ASN A 94 1.733 -3.995 15.382 1.00 0.00 C ATOM 1450 C ASN A 94 1.632 -3.773 16.889 1.00 0.00 C ATOM 1451 O ASN A 94 2.185 -4.522 17.673 1.00 0.00 O ATOM 1452 CB ASN A 94 2.929 -3.204 14.835 1.00 0.00 C ATOM 1453 CG ASN A 94 4.228 -3.917 15.225 1.00 0.00 C ATOM 1454 OD1 ASN A 94 4.233 -4.750 16.114 1.00 0.00 O ATOM 1455 ND2 ASN A 94 5.331 -3.625 14.599 1.00 0.00 N ATOM 0 H ASN A 94 -0.143 -2.981 15.347 1.00 0.00 H new ATOM 0 HA ASN A 94 1.879 -5.053 15.163 1.00 0.00 H new ATOM 0 HB2 ASN A 94 2.858 -3.119 13.751 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.923 -2.190 15.235 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.201 -4.094 14.853 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.326 -2.927 13.855 1.00 0.00 H new ATOM 1462 N VAL A 95 0.930 -2.742 17.302 1.00 0.00 N ATOM 1463 CA VAL A 95 0.786 -2.457 18.766 1.00 0.00 C ATOM 1464 C VAL A 95 -0.687 -2.554 19.167 1.00 0.00 C ATOM 1465 O VAL A 95 -1.565 -2.007 18.528 1.00 0.00 O ATOM 1466 CB VAL A 95 1.314 -1.053 19.082 1.00 0.00 C ATOM 1467 CG1 VAL A 95 0.930 -0.664 20.517 1.00 0.00 C ATOM 1468 CG2 VAL A 95 2.837 -1.052 18.951 1.00 0.00 C ATOM 0 H VAL A 95 0.450 -2.085 16.687 1.00 0.00 H new ATOM 0 HA VAL A 95 1.364 -3.190 19.329 1.00 0.00 H new ATOM 0 HB VAL A 95 0.879 -0.336 18.386 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.308 0.335 20.737 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.155 -0.672 20.618 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.365 -1.378 21.216 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.221 -0.057 19.174 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.263 -1.771 19.651 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.115 -1.328 17.934 1.00 0.00 H new ATOM 1478 N ASN A 96 -0.954 -3.252 20.238 1.00 0.00 N ATOM 1479 CA ASN A 96 -2.355 -3.406 20.719 1.00 0.00 C ATOM 1480 C ASN A 96 -2.351 -3.406 22.250 1.00 0.00 C ATOM 1481 O ASN A 96 -2.237 -4.438 22.886 1.00 0.00 O ATOM 1482 CB ASN A 96 -2.933 -4.727 20.196 1.00 0.00 C ATOM 1483 CG ASN A 96 -1.998 -5.885 20.546 1.00 0.00 C ATOM 1484 OD1 ASN A 96 -1.013 -5.705 21.238 1.00 0.00 O ATOM 1485 ND2 ASN A 96 -2.267 -7.079 20.091 1.00 0.00 N ATOM 0 H ASN A 96 -0.252 -3.727 20.806 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.970 -2.583 20.354 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.917 -4.900 20.631 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.067 -4.672 19.116 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.652 -7.861 20.316 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.092 -7.230 19.511 1.00 0.00 H new ATOM 1492 N ILE A 97 -2.462 -2.248 22.852 1.00 0.00 N ATOM 1493 CA ILE A 97 -2.455 -2.166 24.344 1.00 0.00 C ATOM 1494 C ILE A 97 -3.387 -1.032 24.798 1.00 0.00 C ATOM 1495 O ILE A 97 -2.956 -0.096 25.439 1.00 0.00 O ATOM 1496 CB ILE A 97 -1.029 -1.874 24.845 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -0.025 -2.783 24.122 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -0.962 -2.136 26.351 1.00 0.00 C ATOM 1499 CD1 ILE A 97 1.382 -2.567 24.692 1.00 0.00 C ATOM 0 H ILE A 97 -2.557 -1.353 22.372 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.798 -3.116 24.755 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.779 -0.833 24.640 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.317 -3.827 24.238 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.031 -2.568 23.054 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.046 -1.931 26.712 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.671 -1.487 26.865 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.214 -3.178 26.551 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.088 -3.216 24.174 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.675 -1.527 24.553 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.384 -2.805 25.756 1.00 0.00 H new ATOM 1511 N PRO A 98 -4.657 -1.113 24.469 1.00 0.00 N ATOM 1512 CA PRO A 98 -5.658 -0.071 24.861 1.00 0.00 C ATOM 1513 C PRO A 98 -5.890 -0.033 26.377 1.00 0.00 C ATOM 1514 O PRO A 98 -5.733 -1.019 27.073 1.00 0.00 O ATOM 1515 CB PRO A 98 -6.942 -0.471 24.110 1.00 0.00 C ATOM 1516 CG PRO A 98 -6.788 -1.931 23.815 1.00 0.00 C ATOM 1517 CD PRO A 98 -5.279 -2.197 23.689 1.00 0.00 C ATOM 0 HA PRO A 98 -5.317 0.932 24.604 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -7.828 -0.284 24.717 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -7.057 0.106 23.192 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.223 -2.535 24.611 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.307 -2.197 22.894 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -5.012 -3.177 24.085 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -4.956 -2.175 22.648 1.00 0.00 H new ATOM 1525 N LEU A 99 -6.260 1.102 26.890 1.00 0.00 N ATOM 1526 CA LEU A 99 -6.503 1.220 28.353 1.00 0.00 C ATOM 1527 C LEU A 99 -7.933 0.770 28.665 1.00 0.00 C ATOM 1528 O LEU A 99 -8.358 0.741 29.804 1.00 0.00 O ATOM 1529 CB LEU A 99 -6.314 2.686 28.767 1.00 0.00 C ATOM 1530 CG LEU A 99 -6.043 2.789 30.280 1.00 0.00 C ATOM 1531 CD1 LEU A 99 -4.555 2.543 30.572 1.00 0.00 C ATOM 1532 CD2 LEU A 99 -6.426 4.188 30.781 1.00 0.00 C ATOM 0 H LEU A 99 -6.406 1.959 26.357 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.803 0.591 28.904 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.483 3.122 28.212 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.205 3.260 28.511 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.641 2.035 30.792 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.377 2.619 31.645 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.276 1.547 30.227 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.954 3.288 30.051 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.233 4.257 31.852 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.833 4.937 30.256 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.485 4.365 30.591 1.00 0.00 H new ATOM 1544 N GLU A 100 -8.681 0.421 27.656 1.00 0.00 N ATOM 1545 CA GLU A 100 -10.086 -0.022 27.882 1.00 0.00 C ATOM 1546 C GLU A 100 -10.128 -1.141 28.929 1.00 0.00 C ATOM 1547 O GLU A 100 -9.216 -1.935 29.053 1.00 0.00 O ATOM 1548 CB GLU A 100 -10.673 -0.531 26.564 1.00 0.00 C ATOM 1549 CG GLU A 100 -10.847 0.647 25.600 1.00 0.00 C ATOM 1550 CD GLU A 100 -11.367 0.136 24.255 1.00 0.00 C ATOM 1551 OE1 GLU A 100 -11.576 -1.059 24.135 1.00 0.00 O ATOM 1552 OE2 GLU A 100 -11.547 0.953 23.365 1.00 0.00 O ATOM 0 H GLU A 100 -8.379 0.423 26.682 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.672 0.822 28.246 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.015 -1.281 26.125 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.633 -1.015 26.743 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.544 1.373 26.019 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.896 1.161 25.462 1.00 0.00 H new ATOM 1559 N HIS A 101 -11.189 -1.207 29.685 1.00 0.00 N ATOM 1560 CA HIS A 101 -11.312 -2.269 30.723 1.00 0.00 C ATOM 1561 C HIS A 101 -11.754 -3.577 30.055 1.00 0.00 C ATOM 1562 O HIS A 101 -11.729 -4.637 30.653 1.00 0.00 O ATOM 1563 CB HIS A 101 -12.362 -1.837 31.748 1.00 0.00 C ATOM 1564 CG HIS A 101 -11.817 -0.713 32.586 1.00 0.00 C ATOM 1565 ND1 HIS A 101 -11.834 0.607 32.159 1.00 0.00 N ATOM 1566 CD2 HIS A 101 -11.234 -0.698 33.828 1.00 0.00 C ATOM 1567 CE1 HIS A 101 -11.276 1.353 33.130 1.00 0.00 C ATOM 1568 NE2 HIS A 101 -10.894 0.608 34.170 1.00 0.00 N ATOM 0 H HIS A 101 -11.981 -0.567 29.628 1.00 0.00 H new ATOM 0 HA HIS A 101 -10.354 -2.422 31.219 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.271 -1.517 31.239 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.632 -2.680 32.384 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.065 -1.567 34.446 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -11.152 2.424 33.075 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -10.449 0.927 35.030 1.00 0.00 H new ATOM 1576 N HIS A 102 -12.163 -3.510 28.819 1.00 0.00 N ATOM 1577 CA HIS A 102 -12.614 -4.743 28.114 1.00 0.00 C ATOM 1578 C HIS A 102 -11.410 -5.639 27.802 1.00 0.00 C ATOM 1579 O HIS A 102 -10.411 -5.203 27.262 1.00 0.00 O ATOM 1580 CB HIS A 102 -13.324 -4.356 26.817 1.00 0.00 C ATOM 1581 CG HIS A 102 -13.875 -5.590 26.156 1.00 0.00 C ATOM 1582 ND1 HIS A 102 -13.105 -6.386 25.323 1.00 0.00 N ATOM 1583 CD2 HIS A 102 -15.114 -6.178 26.197 1.00 0.00 C ATOM 1584 CE1 HIS A 102 -13.882 -7.401 24.901 1.00 0.00 C ATOM 1585 NE2 HIS A 102 -15.117 -7.322 25.405 1.00 0.00 N ATOM 0 H HIS A 102 -12.205 -2.654 28.266 1.00 0.00 H new ATOM 0 HA HIS A 102 -13.304 -5.292 28.755 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -14.130 -3.653 27.028 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -12.628 -3.852 26.146 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -15.959 -5.809 26.759 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -13.548 -8.184 24.236 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -15.894 -7.962 25.244 1.00 0.00 H new ATOM 1593 N HIS A 103 -11.499 -6.893 28.159 1.00 0.00 N ATOM 1594 CA HIS A 103 -10.370 -7.835 27.915 1.00 0.00 C ATOM 1595 C HIS A 103 -10.226 -8.135 26.421 1.00 0.00 C ATOM 1596 O HIS A 103 -11.193 -8.340 25.713 1.00 0.00 O ATOM 1597 CB HIS A 103 -10.628 -9.130 28.686 1.00 0.00 C ATOM 1598 CG HIS A 103 -11.895 -9.777 28.195 1.00 0.00 C ATOM 1599 ND1 HIS A 103 -13.153 -9.302 28.539 1.00 0.00 N ATOM 1600 CD2 HIS A 103 -12.115 -10.873 27.398 1.00 0.00 C ATOM 1601 CE1 HIS A 103 -14.063 -10.104 27.956 1.00 0.00 C ATOM 1602 NE2 HIS A 103 -13.485 -11.078 27.248 1.00 0.00 N ATOM 0 H HIS A 103 -12.313 -7.307 28.613 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.442 -7.377 28.258 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.788 -9.813 28.558 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.707 -8.919 29.752 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.343 -11.484 26.954 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -15.131 -9.976 28.049 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -13.947 -11.813 26.713 1.00 0.00 H new ATOM 1610 N HIS A 104 -9.011 -8.154 25.940 1.00 0.00 N ATOM 1611 CA HIS A 104 -8.775 -8.431 24.497 1.00 0.00 C ATOM 1612 C HIS A 104 -8.796 -9.938 24.241 1.00 0.00 C ATOM 1613 O HIS A 104 -8.399 -10.729 25.074 1.00 0.00 O ATOM 1614 CB HIS A 104 -7.416 -7.858 24.086 1.00 0.00 C ATOM 1615 CG HIS A 104 -6.315 -8.534 24.861 1.00 0.00 C ATOM 1616 ND1 HIS A 104 -6.066 -8.251 26.196 1.00 0.00 N ATOM 1617 CD2 HIS A 104 -5.376 -9.469 24.495 1.00 0.00 C ATOM 1618 CE1 HIS A 104 -5.014 -9.001 26.580 1.00 0.00 C ATOM 1619 NE2 HIS A 104 -4.557 -9.760 25.583 1.00 0.00 N ATOM 0 H HIS A 104 -8.168 -7.988 26.490 1.00 0.00 H new ATOM 0 HA HIS A 104 -9.564 -7.962 23.909 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.260 -8.002 23.017 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -7.395 -6.784 24.270 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.287 -9.911 23.513 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -4.592 -8.989 27.574 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.775 -10.414 25.611 1.00 0.00 H new ATOM 1627 N HIS A 105 -9.263 -10.336 23.084 1.00 0.00 N ATOM 1628 CA HIS A 105 -9.327 -11.787 22.742 1.00 0.00 C ATOM 1629 C HIS A 105 -8.631 -12.031 21.401 1.00 0.00 C ATOM 1630 O HIS A 105 -8.897 -11.370 20.416 1.00 0.00 O ATOM 1631 CB HIS A 105 -10.791 -12.208 22.640 1.00 0.00 C ATOM 1632 CG HIS A 105 -10.869 -13.699 22.488 1.00 0.00 C ATOM 1633 ND1 HIS A 105 -10.594 -14.562 23.535 1.00 0.00 N ATOM 1634 CD2 HIS A 105 -11.180 -14.495 21.416 1.00 0.00 C ATOM 1635 CE1 HIS A 105 -10.741 -15.816 23.075 1.00 0.00 C ATOM 1636 NE2 HIS A 105 -11.099 -15.832 21.787 1.00 0.00 N ATOM 0 H HIS A 105 -9.606 -9.710 22.356 1.00 0.00 H new ATOM 0 HA HIS A 105 -8.827 -12.369 23.516 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.335 -11.893 23.531 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.263 -11.719 21.788 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.447 -14.137 20.433 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -10.589 -16.703 23.673 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -11.275 -16.649 21.203 1.00 0.00 H new ATOM 1644 N HIS A 106 -7.735 -12.980 21.364 1.00 0.00 N ATOM 1645 CA HIS A 106 -7.007 -13.283 20.099 1.00 0.00 C ATOM 1646 C HIS A 106 -7.976 -13.878 19.073 1.00 0.00 C ATOM 1647 O HIS A 106 -9.157 -13.938 19.367 1.00 0.00 O ATOM 1648 CB HIS A 106 -5.899 -14.292 20.398 1.00 0.00 C ATOM 1649 CG HIS A 106 -4.896 -13.674 21.335 1.00 0.00 C ATOM 1650 ND1 HIS A 106 -4.009 -12.696 20.922 1.00 0.00 N ATOM 1651 CD2 HIS A 106 -4.628 -13.885 22.667 1.00 0.00 C ATOM 1652 CE1 HIS A 106 -3.254 -12.357 21.982 1.00 0.00 C ATOM 1653 NE2 HIS A 106 -3.590 -13.053 23.073 1.00 0.00 N ATOM 1654 OXT HIS A 106 -7.517 -14.270 18.010 1.00 0.00 O ATOM 0 H HIS A 106 -7.475 -13.562 22.161 1.00 0.00 H new ATOM 0 HA HIS A 106 -6.578 -12.367 19.693 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -6.323 -15.192 20.844 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.409 -14.595 19.473 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.145 -14.590 23.302 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.472 -11.613 21.955 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -3.175 -12.988 24.002 1.00 0.00 H new TER 1662 HIS A 106