USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 HIS : no HE2:sc= -2.69 K(o=-2.7,f=-4.7!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -12.2! C(o=-12!,f=-18!) USER MOD Set 2.2: A 74 TYR OH : rot 80:sc= 0.149 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 29:sc= 0.00585 USER MOD Single : A 7 TYR OH : rot 15:sc= -1.58 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 13 GLN : amide:sc= -0.774 K(o=-0.77,f=-2.5!) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= -0.0752 (180deg=-1.31) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -1.77 F(o=-4.8!,f=-1.8) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 25:sc= -5.83! USER MOD Single : A 21 THR OG1 : rot 123:sc= -0.14 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.615 F(o=-1.4,f=-0.61) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -15:sc= -1.51 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.31! F(o=-3,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= -2.51 K(o=-2.5,f=-7.7!) USER MOD Single : A 63 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-3.2!) USER MOD Single : A 64 SER OG : rot 65:sc= 1.22 USER MOD Single : A 65 THR OG1 : rot -62:sc= 0.871 USER MOD Single : A 71 SER OG : rot 180:sc= -1.03 USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= 0.0175 (180deg=-0.0972) USER MOD Single : A 73 THR OG1 : rot -44:sc= 1.03 USER MOD Single : A 80 HIS : no HD1:sc= -4.67 K(o=-4.7,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.55) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 0.297 (180deg=0.175) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -5.682 -3.452 35.443 1.00 0.00 N ATOM 2 CA ASP A 1 -4.677 -4.409 34.900 1.00 0.00 C ATOM 3 C ASP A 1 -3.834 -4.970 36.048 1.00 0.00 C ATOM 4 O ASP A 1 -3.696 -6.170 36.196 1.00 0.00 O ATOM 5 CB ASP A 1 -3.765 -3.682 33.908 1.00 0.00 C ATOM 6 CG ASP A 1 -2.987 -4.709 33.084 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.134 -5.372 33.651 1.00 0.00 O ATOM 8 OD2 ASP A 1 -3.257 -4.816 31.898 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.255 -3.071 34.663 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.301 -3.944 36.119 1.00 0.00 H new ATOM 0 H3 ASP A 1 -5.193 -2.672 35.927 1.00 0.00 H new ATOM 0 HA ASP A 1 -5.190 -5.226 34.392 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -4.358 -3.046 33.251 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.074 -3.030 34.443 1.00 0.00 H new ATOM 9 N LYS A 2 -3.275 -4.110 36.860 1.00 0.00 N ATOM 10 CA LYS A 2 -2.440 -4.583 38.003 1.00 0.00 C ATOM 11 C LYS A 2 -3.343 -4.893 39.198 1.00 0.00 C ATOM 12 O LYS A 2 -3.171 -5.893 39.871 1.00 0.00 O ATOM 13 CB LYS A 2 -1.438 -3.492 38.388 1.00 0.00 C ATOM 14 CG LYS A 2 -0.126 -3.715 37.635 1.00 0.00 C ATOM 15 CD LYS A 2 0.986 -2.899 38.295 1.00 0.00 C ATOM 16 CE LYS A 2 2.342 -3.531 37.974 1.00 0.00 C ATOM 17 NZ LYS A 2 2.721 -4.476 39.064 1.00 0.00 N ATOM 0 H LYS A 2 -3.362 -3.097 36.780 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.900 -5.484 37.712 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.844 -2.509 38.149 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.260 -3.510 39.463 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.133 -4.774 37.640 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.238 -3.420 36.592 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.958 -1.870 37.936 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.835 -2.865 39.374 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.293 -4.059 37.022 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.101 -2.756 37.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.643 -4.906 38.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.784 -3.960 39.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.001 -5.222 39.142 1.00 0.00 H new ATOM 18 N ASP A 3 -4.299 -4.042 39.466 1.00 0.00 N ATOM 19 CA ASP A 3 -5.218 -4.276 40.618 1.00 0.00 C ATOM 20 C ASP A 3 -6.665 -4.070 40.166 1.00 0.00 C ATOM 21 O ASP A 3 -7.123 -2.953 40.011 1.00 0.00 O ATOM 22 CB ASP A 3 -4.889 -3.294 41.745 1.00 0.00 C ATOM 23 CG ASP A 3 -4.901 -1.864 41.199 1.00 0.00 C ATOM 24 OD1 ASP A 3 -3.938 -1.489 40.552 1.00 0.00 O ATOM 25 OD2 ASP A 3 -5.876 -1.169 41.437 1.00 0.00 O ATOM 0 H ASP A 3 -4.483 -3.192 38.934 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.092 -5.296 40.980 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.616 -3.393 42.551 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.911 -3.524 42.168 1.00 0.00 H new ATOM 26 N VAL A 4 -7.387 -5.140 39.954 1.00 0.00 N ATOM 27 CA VAL A 4 -8.807 -5.018 39.511 1.00 0.00 C ATOM 28 C VAL A 4 -9.736 -5.294 40.700 1.00 0.00 C ATOM 29 O VAL A 4 -9.693 -6.349 41.305 1.00 0.00 O ATOM 30 CB VAL A 4 -9.074 -6.029 38.374 1.00 0.00 C ATOM 31 CG1 VAL A 4 -10.575 -6.124 38.060 1.00 0.00 C ATOM 32 CG2 VAL A 4 -8.349 -5.573 37.111 1.00 0.00 C ATOM 0 H VAL A 4 -7.052 -6.097 40.069 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.997 -4.010 39.142 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.714 -7.005 38.698 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.734 -6.843 37.256 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -11.113 -6.450 38.950 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.945 -5.146 37.751 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.536 -6.285 36.307 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.715 -4.589 36.817 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.278 -5.519 37.306 1.00 0.00 H new ATOM 33 N LYS A 5 -10.591 -4.356 41.012 1.00 0.00 N ATOM 34 CA LYS A 5 -11.554 -4.553 42.132 1.00 0.00 C ATOM 35 C LYS A 5 -12.929 -4.826 41.524 1.00 0.00 C ATOM 36 O LYS A 5 -13.480 -3.995 40.827 1.00 0.00 O ATOM 37 CB LYS A 5 -11.607 -3.288 42.996 1.00 0.00 C ATOM 38 CG LYS A 5 -10.762 -3.490 44.256 1.00 0.00 C ATOM 39 CD LYS A 5 -10.849 -2.242 45.135 1.00 0.00 C ATOM 40 CE LYS A 5 -9.868 -1.186 44.625 1.00 0.00 C ATOM 41 NZ LYS A 5 -10.177 0.127 45.258 1.00 0.00 N ATOM 0 H LYS A 5 -10.663 -3.457 40.535 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.245 -5.388 42.760 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.236 -2.433 42.430 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.638 -3.065 43.270 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.115 -4.361 44.808 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.725 -3.684 43.984 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.864 -1.846 45.122 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.619 -2.497 46.170 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.845 -1.482 44.858 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.937 -1.104 43.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.510 0.845 44.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.148 0.410 45.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.090 0.044 46.291 1.00 0.00 H new ATOM 42 N TYR A 6 -13.479 -5.989 41.761 1.00 0.00 N ATOM 43 CA TYR A 6 -14.809 -6.321 41.170 1.00 0.00 C ATOM 44 C TYR A 6 -15.919 -5.657 41.984 1.00 0.00 C ATOM 45 O TYR A 6 -15.808 -5.484 43.182 1.00 0.00 O ATOM 46 CB TYR A 6 -15.006 -7.837 41.169 1.00 0.00 C ATOM 47 CG TYR A 6 -13.833 -8.493 40.476 1.00 0.00 C ATOM 48 CD1 TYR A 6 -13.858 -8.688 39.089 1.00 0.00 C ATOM 49 CD2 TYR A 6 -12.717 -8.900 41.218 1.00 0.00 C ATOM 50 CE1 TYR A 6 -12.770 -9.289 38.447 1.00 0.00 C ATOM 51 CE2 TYR A 6 -11.629 -9.501 40.574 1.00 0.00 C ATOM 52 CZ TYR A 6 -11.656 -9.695 39.188 1.00 0.00 C ATOM 53 OH TYR A 6 -10.582 -10.288 38.554 1.00 0.00 O ATOM 0 H TYR A 6 -13.065 -6.722 42.337 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.849 -5.951 40.145 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -15.091 -8.205 42.192 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -15.935 -8.094 40.659 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -14.717 -8.374 38.515 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.696 -8.750 42.287 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.791 -9.440 37.378 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -10.769 -9.815 41.147 1.00 0.00 H new ATOM 0 HH TYR A 6 -10.522 -9.956 37.634 1.00 0.00 H new ATOM 54 N TYR A 7 -16.983 -5.278 41.327 1.00 0.00 N ATOM 55 CA TYR A 7 -18.114 -4.611 42.038 1.00 0.00 C ATOM 56 C TYR A 7 -19.416 -5.340 41.696 1.00 0.00 C ATOM 57 O TYR A 7 -19.624 -5.756 40.572 1.00 0.00 O ATOM 58 CB TYR A 7 -18.230 -3.140 41.595 1.00 0.00 C ATOM 59 CG TYR A 7 -16.852 -2.523 41.434 1.00 0.00 C ATOM 60 CD1 TYR A 7 -16.152 -2.056 42.555 1.00 0.00 C ATOM 61 CD2 TYR A 7 -16.275 -2.428 40.161 1.00 0.00 C ATOM 62 CE1 TYR A 7 -14.880 -1.492 42.399 1.00 0.00 C ATOM 63 CE2 TYR A 7 -15.002 -1.865 40.007 1.00 0.00 C ATOM 64 CZ TYR A 7 -14.304 -1.398 41.126 1.00 0.00 C ATOM 65 OH TYR A 7 -13.050 -0.844 40.973 1.00 0.00 O ATOM 0 H TYR A 7 -17.118 -5.402 40.324 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.931 -4.646 43.112 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -18.774 -3.080 40.653 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -18.804 -2.577 42.331 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.593 -2.131 43.538 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -16.813 -2.790 39.297 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -14.342 -1.129 43.262 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -14.559 -1.791 39.025 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.608 -0.789 41.846 1.00 0.00 H new ATOM 66 N THR A 8 -20.290 -5.500 42.657 1.00 0.00 N ATOM 67 CA THR A 8 -21.580 -6.207 42.396 1.00 0.00 C ATOM 68 C THR A 8 -22.386 -5.437 41.345 1.00 0.00 C ATOM 69 O THR A 8 -22.345 -4.221 41.285 1.00 0.00 O ATOM 70 CB THR A 8 -22.386 -6.293 43.694 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.240 -5.082 44.421 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.877 -7.463 44.538 1.00 0.00 C ATOM 0 H THR A 8 -20.165 -5.170 43.614 1.00 0.00 H new ATOM 0 HA THR A 8 -21.373 -7.212 42.028 1.00 0.00 H new ATOM 0 HB THR A 8 -23.438 -6.451 43.458 1.00 0.00 H new ATOM 0 HG1 THR A 8 -22.757 -5.135 45.252 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.452 -7.523 45.462 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.991 -8.392 43.979 1.00 0.00 H new ATOM 0 HG23 THR A 8 -20.824 -7.310 44.775 1.00 0.00 H new ATOM 73 N LEU A 9 -23.114 -6.141 40.516 1.00 0.00 N ATOM 74 CA LEU A 9 -23.926 -5.463 39.463 1.00 0.00 C ATOM 75 C LEU A 9 -24.998 -4.597 40.126 1.00 0.00 C ATOM 76 O LEU A 9 -25.400 -3.579 39.594 1.00 0.00 O ATOM 77 CB LEU A 9 -24.611 -6.509 38.570 1.00 0.00 C ATOM 78 CG LEU A 9 -23.605 -7.597 38.159 1.00 0.00 C ATOM 79 CD1 LEU A 9 -23.865 -8.867 38.969 1.00 0.00 C ATOM 80 CD2 LEU A 9 -23.764 -7.908 36.667 1.00 0.00 C ATOM 0 H LEU A 9 -23.181 -7.159 40.524 1.00 0.00 H new ATOM 0 HA LEU A 9 -23.268 -4.842 38.854 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.448 -6.960 39.102 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.020 -6.028 37.682 1.00 0.00 H new ATOM 0 HG LEU A 9 -22.593 -7.241 38.351 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -23.151 -9.637 38.677 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.751 -8.651 40.031 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -24.878 -9.220 38.777 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -23.050 -8.679 36.378 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.777 -8.261 36.475 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -23.578 -7.005 36.085 1.00 0.00 H new ATOM 81 N GLU A 10 -25.465 -4.995 41.282 1.00 0.00 N ATOM 82 CA GLU A 10 -26.515 -4.203 41.989 1.00 0.00 C ATOM 83 C GLU A 10 -25.979 -2.806 42.309 1.00 0.00 C ATOM 84 O GLU A 10 -26.725 -1.846 42.375 1.00 0.00 O ATOM 85 CB GLU A 10 -26.900 -4.911 43.289 1.00 0.00 C ATOM 86 CG GLU A 10 -27.967 -5.968 42.999 1.00 0.00 C ATOM 87 CD GLU A 10 -27.943 -7.033 44.099 1.00 0.00 C ATOM 88 OE1 GLU A 10 -26.856 -7.408 44.507 1.00 0.00 O ATOM 89 OE2 GLU A 10 -29.010 -7.452 44.512 1.00 0.00 O ATOM 0 H GLU A 10 -25.162 -5.839 41.768 1.00 0.00 H new ATOM 0 HA GLU A 10 -27.392 -4.115 41.348 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -26.022 -5.378 43.735 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -27.277 -4.187 44.012 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -28.951 -5.503 42.950 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.784 -6.428 42.028 1.00 0.00 H new ATOM 90 N GLU A 11 -24.691 -2.685 42.510 1.00 0.00 N ATOM 91 CA GLU A 11 -24.098 -1.354 42.829 1.00 0.00 C ATOM 92 C GLU A 11 -23.889 -0.559 41.538 1.00 0.00 C ATOM 93 O GLU A 11 -23.926 0.657 41.538 1.00 0.00 O ATOM 94 CB GLU A 11 -22.753 -1.548 43.531 1.00 0.00 C ATOM 95 CG GLU A 11 -22.541 -0.430 44.552 1.00 0.00 C ATOM 96 CD GLU A 11 -21.757 -0.971 45.748 1.00 0.00 C ATOM 97 OE1 GLU A 11 -20.558 -1.152 45.613 1.00 0.00 O ATOM 98 OE2 GLU A 11 -22.368 -1.195 46.780 1.00 0.00 O ATOM 0 H GLU A 11 -24.023 -3.455 42.466 1.00 0.00 H new ATOM 0 HA GLU A 11 -24.775 -0.807 43.485 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -22.727 -2.518 44.028 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -21.945 -1.544 42.799 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -22.000 0.397 44.093 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -23.503 -0.038 44.882 1.00 0.00 H new ATOM 99 N ILE A 12 -23.667 -1.237 40.440 1.00 0.00 N ATOM 100 CA ILE A 12 -23.450 -0.525 39.145 1.00 0.00 C ATOM 101 C ILE A 12 -24.759 0.134 38.695 1.00 0.00 C ATOM 102 O ILE A 12 -24.839 1.340 38.558 1.00 0.00 O ATOM 103 CB ILE A 12 -22.991 -1.527 38.082 1.00 0.00 C ATOM 104 CG1 ILE A 12 -21.744 -2.264 38.581 1.00 0.00 C ATOM 105 CG2 ILE A 12 -22.653 -0.785 36.786 1.00 0.00 C ATOM 106 CD1 ILE A 12 -21.378 -3.375 37.596 1.00 0.00 C ATOM 0 H ILE A 12 -23.627 -2.255 40.385 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.686 0.241 39.277 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.791 -2.243 37.893 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.913 -1.566 38.683 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -21.929 -2.686 39.569 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -22.327 -1.501 36.031 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -23.537 -0.258 36.428 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.854 -0.068 36.975 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -20.491 -3.899 37.952 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -22.207 -4.078 37.516 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -21.175 -2.941 36.617 1.00 0.00 H new ATOM 107 N GLN A 13 -25.777 -0.651 38.459 1.00 0.00 N ATOM 108 CA GLN A 13 -27.084 -0.085 38.012 1.00 0.00 C ATOM 109 C GLN A 13 -27.687 0.795 39.114 1.00 0.00 C ATOM 110 O GLN A 13 -28.502 1.657 38.847 1.00 0.00 O ATOM 111 CB GLN A 13 -28.050 -1.231 37.691 1.00 0.00 C ATOM 112 CG GLN A 13 -28.163 -2.171 38.900 1.00 0.00 C ATOM 113 CD GLN A 13 -28.079 -3.627 38.434 1.00 0.00 C ATOM 114 OE1 GLN A 13 -27.441 -3.926 37.444 1.00 0.00 O ATOM 115 NE2 GLN A 13 -28.702 -4.554 39.111 1.00 0.00 N ATOM 0 H GLN A 13 -25.759 -1.666 38.557 1.00 0.00 H new ATOM 0 HA GLN A 13 -26.921 0.524 37.122 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -29.032 -0.831 37.437 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -27.696 -1.784 36.821 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -27.365 -1.961 39.612 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -29.106 -1.999 39.419 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -29.238 -4.305 39.942 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -28.652 -5.527 38.808 1.00 0.00 H new ATOM 116 N LYS A 14 -27.296 0.587 40.350 1.00 0.00 N ATOM 117 CA LYS A 14 -27.851 1.412 41.468 1.00 0.00 C ATOM 118 C LYS A 14 -27.554 2.896 41.218 1.00 0.00 C ATOM 119 O LYS A 14 -28.278 3.764 41.669 1.00 0.00 O ATOM 120 CB LYS A 14 -27.208 0.973 42.792 1.00 0.00 C ATOM 121 CG LYS A 14 -28.199 0.121 43.591 1.00 0.00 C ATOM 122 CD LYS A 14 -27.501 -0.450 44.826 1.00 0.00 C ATOM 123 CE LYS A 14 -28.524 -1.177 45.701 1.00 0.00 C ATOM 124 NZ LYS A 14 -29.224 -2.214 44.890 1.00 0.00 N ATOM 0 H LYS A 14 -26.616 -0.119 40.631 1.00 0.00 H new ATOM 0 HA LYS A 14 -28.930 1.269 41.521 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.300 0.403 42.595 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.915 1.848 43.373 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -29.055 0.725 43.891 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -28.582 -0.689 42.970 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -26.711 -1.138 44.525 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.027 0.352 45.392 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.026 -1.641 46.552 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -29.246 -0.466 46.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.432 -3.040 45.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -30.113 -1.823 44.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.616 -2.504 44.098 1.00 0.00 H new ATOM 125 N HIS A 15 -26.496 3.189 40.504 1.00 0.00 N ATOM 126 CA HIS A 15 -26.149 4.613 40.222 1.00 0.00 C ATOM 127 C HIS A 15 -27.020 5.134 39.077 1.00 0.00 C ATOM 128 O HIS A 15 -27.261 4.441 38.105 1.00 0.00 O ATOM 129 CB HIS A 15 -24.676 4.710 39.824 1.00 0.00 C ATOM 130 CG HIS A 15 -23.814 4.326 40.994 1.00 0.00 C ATOM 131 ND1 HIS A 15 -23.957 3.365 41.963 1.00 0.00 N flip ATOM 132 CD2 HIS A 15 -22.620 4.973 41.278 1.00 0.00 C flip ATOM 133 CE1 HIS A 15 -22.874 3.411 42.835 1.00 0.00 C flip ATOM 134 NE2 HIS A 15 -22.099 4.396 42.376 1.00 0.00 N flip ATOM 0 H HIS A 15 -25.857 2.501 40.104 1.00 0.00 H new ATOM 0 HA HIS A 15 -26.325 5.212 41.115 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -24.473 4.053 38.978 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -24.441 5.725 39.503 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -22.188 5.790 40.720 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -22.698 2.785 43.697 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -21.218 4.677 42.806 1.00 0.00 H new ATOM 135 N LYS A 16 -27.492 6.350 39.187 1.00 0.00 N ATOM 136 CA LYS A 16 -28.351 6.925 38.110 1.00 0.00 C ATOM 137 C LYS A 16 -27.604 8.073 37.425 1.00 0.00 C ATOM 138 O LYS A 16 -26.407 8.225 37.583 1.00 0.00 O ATOM 139 CB LYS A 16 -29.653 7.451 38.723 1.00 0.00 C ATOM 140 CG LYS A 16 -30.816 7.189 37.762 1.00 0.00 C ATOM 141 CD LYS A 16 -31.495 5.868 38.131 1.00 0.00 C ATOM 142 CE LYS A 16 -32.085 5.230 36.872 1.00 0.00 C ATOM 143 NZ LYS A 16 -31.031 4.436 36.179 1.00 0.00 N ATOM 0 H LYS A 16 -27.319 6.970 39.978 1.00 0.00 H new ATOM 0 HA LYS A 16 -28.584 6.154 37.375 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.840 6.962 39.679 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -29.567 8.519 38.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -31.535 8.007 37.813 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -30.452 7.149 36.736 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -30.774 5.192 38.591 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -32.281 6.043 38.866 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -32.925 4.588 37.136 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -32.471 6.002 36.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -31.430 4.001 35.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.243 5.061 35.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -30.683 3.691 36.815 1.00 0.00 H new ATOM 144 N ASP A 17 -28.302 8.879 36.666 1.00 0.00 N ATOM 145 CA ASP A 17 -27.642 10.020 35.966 1.00 0.00 C ATOM 146 C ASP A 17 -27.841 11.303 36.779 1.00 0.00 C ATOM 147 O ASP A 17 -28.032 12.371 36.228 1.00 0.00 O ATOM 148 CB ASP A 17 -28.257 10.193 34.577 1.00 0.00 C ATOM 149 CG ASP A 17 -27.707 9.118 33.637 1.00 0.00 C ATOM 150 OD1 ASP A 17 -27.728 7.959 34.018 1.00 0.00 O ATOM 151 OD2 ASP A 17 -27.276 9.472 32.553 1.00 0.00 O ATOM 0 H ASP A 17 -29.305 8.795 36.501 1.00 0.00 H new ATOM 0 HA ASP A 17 -26.576 9.816 35.866 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -29.343 10.118 34.637 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -28.027 11.184 34.187 1.00 0.00 H new ATOM 152 N SER A 18 -27.799 11.202 38.083 1.00 0.00 N ATOM 153 CA SER A 18 -27.985 12.409 38.939 1.00 0.00 C ATOM 154 C SER A 18 -26.619 12.931 39.390 1.00 0.00 C ATOM 155 O SER A 18 -26.270 14.071 39.146 1.00 0.00 O ATOM 156 CB SER A 18 -28.818 12.039 40.166 1.00 0.00 C ATOM 157 OG SER A 18 -28.776 13.108 41.103 1.00 0.00 O ATOM 0 H SER A 18 -27.643 10.332 38.592 1.00 0.00 H new ATOM 0 HA SER A 18 -28.499 13.183 38.369 1.00 0.00 H new ATOM 0 HB2 SER A 18 -29.848 11.838 39.873 1.00 0.00 H new ATOM 0 HB3 SER A 18 -28.432 11.127 40.620 1.00 0.00 H new ATOM 0 HG SER A 18 -29.311 12.874 41.890 1.00 0.00 H new ATOM 158 N LYS A 19 -25.846 12.103 40.046 1.00 0.00 N ATOM 159 CA LYS A 19 -24.499 12.539 40.515 1.00 0.00 C ATOM 160 C LYS A 19 -23.420 11.905 39.635 1.00 0.00 C ATOM 161 O LYS A 19 -22.565 12.585 39.099 1.00 0.00 O ATOM 162 CB LYS A 19 -24.297 12.098 41.967 1.00 0.00 C ATOM 163 CG LYS A 19 -22.994 12.693 42.506 1.00 0.00 C ATOM 164 CD LYS A 19 -22.394 11.747 43.548 1.00 0.00 C ATOM 165 CE LYS A 19 -23.303 11.699 44.778 1.00 0.00 C ATOM 166 NZ LYS A 19 -22.849 12.715 45.770 1.00 0.00 N ATOM 0 H LYS A 19 -26.092 11.141 40.277 1.00 0.00 H new ATOM 0 HA LYS A 19 -24.427 13.625 40.451 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -25.138 12.425 42.578 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -24.264 11.010 42.026 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.288 12.848 41.690 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.185 13.669 42.952 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.282 10.748 43.126 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.398 12.086 43.832 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -24.336 11.894 44.488 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -23.279 10.704 45.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -23.466 12.683 46.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.870 12.510 46.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.894 13.662 45.342 1.00 0.00 H new ATOM 167 N SER A 20 -23.456 10.605 39.484 1.00 0.00 N ATOM 168 CA SER A 20 -22.439 9.914 38.640 1.00 0.00 C ATOM 169 C SER A 20 -22.790 8.431 38.529 1.00 0.00 C ATOM 170 O SER A 20 -23.549 7.906 39.323 1.00 0.00 O ATOM 171 CB SER A 20 -21.059 10.063 39.279 1.00 0.00 C ATOM 172 OG SER A 20 -20.082 9.507 38.411 1.00 0.00 O ATOM 0 H SER A 20 -24.150 9.992 39.912 1.00 0.00 H new ATOM 0 HA SER A 20 -22.430 10.361 37.646 1.00 0.00 H new ATOM 0 HB2 SER A 20 -20.842 11.115 39.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 -21.035 9.558 40.245 1.00 0.00 H new ATOM 0 HG SER A 20 -20.415 9.524 37.490 1.00 0.00 H new ATOM 173 N THR A 21 -22.246 7.753 37.549 1.00 0.00 N ATOM 174 CA THR A 21 -22.550 6.303 37.380 1.00 0.00 C ATOM 175 C THR A 21 -21.421 5.619 36.592 1.00 0.00 C ATOM 176 O THR A 21 -20.474 6.256 36.156 1.00 0.00 O ATOM 177 CB THR A 21 -23.889 6.163 36.638 1.00 0.00 C ATOM 178 OG1 THR A 21 -24.270 4.795 36.590 1.00 0.00 O ATOM 179 CG2 THR A 21 -23.769 6.711 35.211 1.00 0.00 C ATOM 0 H THR A 21 -21.604 8.144 36.859 1.00 0.00 H new ATOM 0 HA THR A 21 -22.624 5.821 38.355 1.00 0.00 H new ATOM 0 HB THR A 21 -24.647 6.735 37.174 1.00 0.00 H new ATOM 0 HG1 THR A 21 -25.153 4.687 37.002 1.00 0.00 H new ATOM 0 HG21 THR A 21 -24.725 6.605 34.699 1.00 0.00 H new ATOM 0 HG22 THR A 21 -23.492 7.765 35.248 1.00 0.00 H new ATOM 0 HG23 THR A 21 -23.004 6.154 34.670 1.00 0.00 H new ATOM 180 N TRP A 22 -21.518 4.327 36.409 1.00 0.00 N ATOM 181 CA TRP A 22 -20.459 3.597 35.648 1.00 0.00 C ATOM 182 C TRP A 22 -21.117 2.831 34.499 1.00 0.00 C ATOM 183 O TRP A 22 -22.316 2.616 34.493 1.00 0.00 O ATOM 184 CB TRP A 22 -19.700 2.600 36.552 1.00 0.00 C ATOM 185 CG TRP A 22 -19.603 3.101 37.967 1.00 0.00 C ATOM 186 CD1 TRP A 22 -19.336 4.376 38.326 1.00 0.00 C ATOM 187 CD2 TRP A 22 -19.766 2.353 39.208 1.00 0.00 C ATOM 188 NE1 TRP A 22 -19.322 4.460 39.707 1.00 0.00 N ATOM 189 CE2 TRP A 22 -19.583 3.240 40.295 1.00 0.00 C ATOM 190 CE3 TRP A 22 -20.053 1.006 39.493 1.00 0.00 C ATOM 191 CZ2 TRP A 22 -19.680 2.806 41.617 1.00 0.00 C ATOM 192 CZ3 TRP A 22 -20.151 0.567 40.825 1.00 0.00 C ATOM 193 CH2 TRP A 22 -19.965 1.466 41.883 1.00 0.00 C ATOM 0 H TRP A 22 -22.283 3.747 36.753 1.00 0.00 H new ATOM 0 HA TRP A 22 -19.742 4.325 35.268 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -20.209 1.636 36.540 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -18.699 2.436 36.154 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -19.162 5.196 37.645 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -19.141 5.319 40.227 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -20.199 0.305 38.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -19.535 3.503 42.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -20.371 -0.470 41.034 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -20.042 1.122 42.904 1.00 0.00 H new ATOM 194 N VAL A 23 -20.344 2.418 33.529 1.00 0.00 N ATOM 195 CA VAL A 23 -20.916 1.665 32.373 1.00 0.00 C ATOM 196 C VAL A 23 -20.083 0.403 32.130 1.00 0.00 C ATOM 197 O VAL A 23 -18.874 0.411 32.269 1.00 0.00 O ATOM 198 CB VAL A 23 -20.892 2.556 31.124 1.00 0.00 C ATOM 199 CG1 VAL A 23 -21.514 1.812 29.939 1.00 0.00 C ATOM 200 CG2 VAL A 23 -21.699 3.828 31.393 1.00 0.00 C ATOM 0 H VAL A 23 -19.336 2.570 33.487 1.00 0.00 H new ATOM 0 HA VAL A 23 -21.945 1.380 32.590 1.00 0.00 H new ATOM 0 HB VAL A 23 -19.859 2.812 30.889 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -21.493 2.451 29.056 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -20.946 0.903 29.742 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -22.546 1.552 30.174 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.684 4.463 30.507 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -22.729 3.562 31.631 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -21.260 4.366 32.233 1.00 0.00 H new ATOM 201 N ILE A 24 -20.725 -0.679 31.769 1.00 0.00 N ATOM 202 CA ILE A 24 -19.982 -1.948 31.516 1.00 0.00 C ATOM 203 C ILE A 24 -19.357 -1.901 30.119 1.00 0.00 C ATOM 204 O ILE A 24 -19.825 -1.195 29.246 1.00 0.00 O ATOM 205 CB ILE A 24 -20.947 -3.134 31.608 1.00 0.00 C ATOM 206 CG1 ILE A 24 -21.653 -3.117 32.967 1.00 0.00 C ATOM 207 CG2 ILE A 24 -20.170 -4.444 31.459 1.00 0.00 C ATOM 208 CD1 ILE A 24 -23.073 -3.663 32.812 1.00 0.00 C ATOM 0 H ILE A 24 -21.735 -0.737 31.639 1.00 0.00 H new ATOM 0 HA ILE A 24 -19.196 -2.065 32.262 1.00 0.00 H new ATOM 0 HB ILE A 24 -21.686 -3.057 30.811 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -21.097 -3.720 33.685 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -21.684 -2.101 33.360 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -20.860 -5.286 31.525 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -19.668 -4.461 30.492 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -19.428 -4.520 32.254 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -23.575 -3.651 33.779 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.627 -3.042 32.108 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -23.031 -4.686 32.438 1.00 0.00 H new ATOM 209 N LEU A 25 -18.305 -2.648 29.907 1.00 0.00 N ATOM 210 CA LEU A 25 -17.641 -2.656 28.570 1.00 0.00 C ATOM 211 C LEU A 25 -16.905 -3.986 28.378 1.00 0.00 C ATOM 212 O LEU A 25 -15.699 -4.063 28.513 1.00 0.00 O ATOM 213 CB LEU A 25 -16.640 -1.493 28.494 1.00 0.00 C ATOM 214 CG LEU A 25 -16.462 -1.023 27.041 1.00 0.00 C ATOM 215 CD1 LEU A 25 -15.943 -2.173 26.175 1.00 0.00 C ATOM 216 CD2 LEU A 25 -17.803 -0.529 26.486 1.00 0.00 C ATOM 0 H LEU A 25 -17.876 -3.255 30.605 1.00 0.00 H new ATOM 0 HA LEU A 25 -18.389 -2.541 27.785 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -16.991 -0.664 29.109 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.679 -1.807 28.900 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.739 -0.207 27.022 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.821 -1.829 25.148 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.982 -2.514 26.560 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.656 -2.997 26.199 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.671 -0.197 25.456 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.530 -1.341 26.515 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.163 0.303 27.092 1.00 0.00 H new ATOM 217 N HIS A 26 -17.630 -5.033 28.067 1.00 0.00 N ATOM 218 CA HIS A 26 -16.993 -6.370 27.865 1.00 0.00 C ATOM 219 C HIS A 26 -16.237 -6.786 29.133 1.00 0.00 C ATOM 220 O HIS A 26 -15.020 -6.792 29.171 1.00 0.00 O ATOM 221 CB HIS A 26 -16.021 -6.301 26.681 1.00 0.00 C ATOM 222 CG HIS A 26 -16.799 -6.154 25.402 1.00 0.00 C ATOM 223 ND1 HIS A 26 -16.432 -6.802 24.235 1.00 0.00 N ATOM 224 CD2 HIS A 26 -17.928 -5.435 25.094 1.00 0.00 C ATOM 225 CE1 HIS A 26 -17.324 -6.465 23.286 1.00 0.00 C ATOM 226 NE2 HIS A 26 -18.258 -5.633 23.756 1.00 0.00 N ATOM 0 H HIS A 26 -18.642 -5.017 27.944 1.00 0.00 H new ATOM 0 HA HIS A 26 -17.767 -7.108 27.655 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.340 -5.459 26.804 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.409 -7.203 26.646 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -15.631 -7.422 24.116 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -18.476 -4.811 25.784 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.289 -6.823 22.268 1.00 0.00 H new ATOM 227 N HIS A 27 -16.957 -7.133 30.174 1.00 0.00 N ATOM 228 CA HIS A 27 -16.296 -7.551 31.449 1.00 0.00 C ATOM 229 C HIS A 27 -15.422 -6.408 31.977 1.00 0.00 C ATOM 230 O HIS A 27 -14.205 -6.480 31.952 1.00 0.00 O ATOM 231 CB HIS A 27 -15.433 -8.792 31.196 1.00 0.00 C ATOM 232 CG HIS A 27 -14.902 -9.311 32.505 1.00 0.00 C ATOM 233 ND1 HIS A 27 -15.393 -9.246 33.786 1.00 0.00 N flip ATOM 234 CD2 HIS A 27 -13.706 -10.004 32.593 1.00 0.00 C flip ATOM 235 CE1 HIS A 27 -14.516 -9.888 34.656 1.00 0.00 C flip ATOM 236 NE2 HIS A 27 -13.516 -10.325 33.886 1.00 0.00 N flip ATOM 0 H HIS A 27 -17.977 -7.144 30.194 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.058 -7.789 32.191 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -16.023 -9.563 30.700 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.607 -8.544 30.529 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.046 -10.243 31.773 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.622 -10.007 35.724 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.707 -10.839 34.235 1.00 0.00 H new ATOM 237 N LYS A 28 -16.035 -5.353 32.453 1.00 0.00 N ATOM 238 CA LYS A 28 -15.250 -4.198 32.984 1.00 0.00 C ATOM 239 C LYS A 28 -16.211 -3.136 33.525 1.00 0.00 C ATOM 240 O LYS A 28 -17.321 -2.993 33.047 1.00 0.00 O ATOM 241 CB LYS A 28 -14.398 -3.597 31.855 1.00 0.00 C ATOM 242 CG LYS A 28 -12.927 -3.990 32.047 1.00 0.00 C ATOM 243 CD LYS A 28 -12.304 -4.340 30.692 1.00 0.00 C ATOM 244 CE LYS A 28 -12.266 -3.091 29.808 1.00 0.00 C ATOM 245 NZ LYS A 28 -11.040 -3.120 28.961 1.00 0.00 N ATOM 0 H LYS A 28 -17.048 -5.242 32.497 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.597 -4.538 33.788 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.756 -3.953 30.889 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.496 -2.511 31.851 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.379 -3.169 32.509 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.854 -4.842 32.723 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.296 -4.729 30.833 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.883 -5.125 30.206 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.155 -3.050 29.179 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.272 -2.194 30.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.013 -2.272 28.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.197 -3.139 29.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.053 -3.969 28.361 1.00 0.00 H new ATOM 246 N VAL A 29 -15.788 -2.387 34.513 1.00 0.00 N ATOM 247 CA VAL A 29 -16.668 -1.324 35.084 1.00 0.00 C ATOM 248 C VAL A 29 -16.006 0.024 34.828 1.00 0.00 C ATOM 249 O VAL A 29 -14.819 0.185 35.036 1.00 0.00 O ATOM 250 CB VAL A 29 -16.845 -1.547 36.589 1.00 0.00 C ATOM 251 CG1 VAL A 29 -17.936 -0.615 37.121 1.00 0.00 C ATOM 252 CG2 VAL A 29 -17.250 -3.002 36.848 1.00 0.00 C ATOM 0 H VAL A 29 -14.869 -2.467 34.949 1.00 0.00 H new ATOM 0 HA VAL A 29 -17.652 -1.354 34.616 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.905 -1.334 37.097 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.061 -0.775 38.192 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.650 0.421 36.940 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.876 -0.826 36.611 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -17.376 -3.160 37.919 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.189 -3.215 36.337 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.474 -3.668 36.472 1.00 0.00 H new ATOM 253 N TYR A 30 -16.749 0.982 34.337 1.00 0.00 N ATOM 254 CA TYR A 30 -16.141 2.304 34.017 1.00 0.00 C ATOM 255 C TYR A 30 -16.611 3.400 34.966 1.00 0.00 C ATOM 256 O TYR A 30 -17.668 3.962 34.776 1.00 0.00 O ATOM 257 CB TYR A 30 -16.560 2.716 32.600 1.00 0.00 C ATOM 258 CG TYR A 30 -15.842 1.924 31.521 1.00 0.00 C ATOM 259 CD1 TYR A 30 -14.910 0.919 31.829 1.00 0.00 C ATOM 260 CD2 TYR A 30 -16.140 2.205 30.187 1.00 0.00 C ATOM 261 CE1 TYR A 30 -14.286 0.206 30.803 1.00 0.00 C ATOM 262 CE2 TYR A 30 -15.515 1.495 29.161 1.00 0.00 C ATOM 263 CZ TYR A 30 -14.588 0.492 29.466 1.00 0.00 C ATOM 264 OH TYR A 30 -13.969 -0.210 28.449 1.00 0.00 O ATOM 0 H TYR A 30 -17.748 0.905 34.145 1.00 0.00 H new ATOM 0 HA TYR A 30 -15.061 2.194 34.111 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -17.636 2.579 32.490 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -16.358 3.778 32.460 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -14.676 0.698 32.860 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -16.858 2.976 29.947 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.570 -0.567 31.041 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -15.747 1.720 28.130 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.192 -0.687 28.807 1.00 0.00 H new ATOM 265 N ASP A 31 -15.810 3.766 35.932 1.00 0.00 N ATOM 266 CA ASP A 31 -16.201 4.896 36.821 1.00 0.00 C ATOM 267 C ASP A 31 -16.042 6.154 35.978 1.00 0.00 C ATOM 268 O ASP A 31 -14.961 6.703 35.869 1.00 0.00 O ATOM 269 CB ASP A 31 -15.282 4.960 38.041 1.00 0.00 C ATOM 270 CG ASP A 31 -15.740 6.085 38.968 1.00 0.00 C ATOM 271 OD1 ASP A 31 -16.890 6.061 39.375 1.00 0.00 O ATOM 272 OD2 ASP A 31 -14.933 6.954 39.257 1.00 0.00 O ATOM 0 H ASP A 31 -14.910 3.335 36.142 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.220 4.781 37.192 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.298 4.008 38.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.253 5.131 37.725 1.00 0.00 H new ATOM 273 N LEU A 32 -17.093 6.573 35.322 1.00 0.00 N ATOM 274 CA LEU A 32 -16.983 7.750 34.416 1.00 0.00 C ATOM 275 C LEU A 32 -17.492 9.015 35.108 1.00 0.00 C ATOM 276 O LEU A 32 -18.202 9.811 34.523 1.00 0.00 O ATOM 277 CB LEU A 32 -17.799 7.474 33.142 1.00 0.00 C ATOM 278 CG LEU A 32 -17.470 6.067 32.586 1.00 0.00 C ATOM 279 CD1 LEU A 32 -18.757 5.247 32.454 1.00 0.00 C ATOM 280 CD2 LEU A 32 -16.803 6.183 31.207 1.00 0.00 C ATOM 0 H LEU A 32 -18.020 6.151 35.376 1.00 0.00 H new ATOM 0 HA LEU A 32 -15.936 7.909 34.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.864 7.545 33.362 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.578 8.231 32.389 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.787 5.571 33.276 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.520 4.258 32.062 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -19.227 5.147 33.433 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -19.442 5.752 31.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.577 5.187 30.827 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.479 6.689 30.518 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.880 6.755 31.296 1.00 0.00 H new ATOM 281 N THR A 33 -17.115 9.213 36.345 1.00 0.00 N ATOM 282 CA THR A 33 -17.557 10.435 37.082 1.00 0.00 C ATOM 283 C THR A 33 -16.920 11.667 36.436 1.00 0.00 C ATOM 284 O THR A 33 -17.490 12.742 36.435 1.00 0.00 O ATOM 285 CB THR A 33 -17.111 10.344 38.548 1.00 0.00 C ATOM 286 OG1 THR A 33 -15.702 10.508 38.620 1.00 0.00 O ATOM 287 CG2 THR A 33 -17.499 8.983 39.141 1.00 0.00 C ATOM 0 H THR A 33 -16.519 8.580 36.878 1.00 0.00 H new ATOM 0 HA THR A 33 -18.643 10.513 37.039 1.00 0.00 H new ATOM 0 HB THR A 33 -17.606 11.130 39.119 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.414 10.452 39.555 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.176 8.934 40.181 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.581 8.859 39.091 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.016 8.188 38.573 1.00 0.00 H new ATOM 288 N LYS A 34 -15.741 11.514 35.888 1.00 0.00 N ATOM 289 CA LYS A 34 -15.052 12.668 35.239 1.00 0.00 C ATOM 290 C LYS A 34 -15.475 12.773 33.768 1.00 0.00 C ATOM 291 O LYS A 34 -15.362 13.821 33.161 1.00 0.00 O ATOM 292 CB LYS A 34 -13.536 12.465 35.322 1.00 0.00 C ATOM 293 CG LYS A 34 -12.848 13.813 35.545 1.00 0.00 C ATOM 294 CD LYS A 34 -12.886 14.165 37.033 1.00 0.00 C ATOM 295 CE LYS A 34 -11.982 15.371 37.296 1.00 0.00 C ATOM 296 NZ LYS A 34 -12.165 15.833 38.701 1.00 0.00 N ATOM 0 H LYS A 34 -15.225 10.635 35.863 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.329 13.587 35.755 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.295 11.783 36.137 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.170 12.006 34.404 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.816 13.769 35.197 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.347 14.589 34.964 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.908 14.390 37.338 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.556 13.313 37.628 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.940 15.102 37.123 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.222 16.177 36.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.550 16.653 38.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.158 16.105 38.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.915 15.064 39.355 1.00 0.00 H new ATOM 297 N PHE A 35 -15.959 11.699 33.188 1.00 0.00 N ATOM 298 CA PHE A 35 -16.391 11.736 31.758 1.00 0.00 C ATOM 299 C PHE A 35 -17.511 12.768 31.582 1.00 0.00 C ATOM 300 O PHE A 35 -17.693 13.324 30.515 1.00 0.00 O ATOM 301 CB PHE A 35 -16.907 10.350 31.362 1.00 0.00 C ATOM 302 CG PHE A 35 -17.210 10.305 29.882 1.00 0.00 C ATOM 303 CD1 PHE A 35 -18.359 10.927 29.379 1.00 0.00 C ATOM 304 CD2 PHE A 35 -16.346 9.627 29.013 1.00 0.00 C ATOM 305 CE1 PHE A 35 -18.642 10.875 28.010 1.00 0.00 C ATOM 306 CE2 PHE A 35 -16.630 9.574 27.644 1.00 0.00 C ATOM 307 CZ PHE A 35 -17.777 10.198 27.142 1.00 0.00 C ATOM 0 H PHE A 35 -16.073 10.796 33.648 1.00 0.00 H new ATOM 0 HA PHE A 35 -15.548 12.014 31.126 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -16.163 9.593 31.611 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -17.806 10.113 31.931 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -19.028 11.448 30.049 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -15.460 9.145 29.400 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -19.528 11.357 27.623 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.963 9.051 26.974 1.00 0.00 H new ATOM 0 HZ PHE A 35 -17.995 10.157 26.085 1.00 0.00 H new ATOM 308 N LEU A 36 -18.266 13.023 32.623 1.00 0.00 N ATOM 309 CA LEU A 36 -19.385 14.011 32.527 1.00 0.00 C ATOM 310 C LEU A 36 -18.845 15.378 32.091 1.00 0.00 C ATOM 311 O LEU A 36 -19.496 16.105 31.365 1.00 0.00 O ATOM 312 CB LEU A 36 -20.061 14.148 33.896 1.00 0.00 C ATOM 313 CG LEU A 36 -20.612 12.790 34.342 1.00 0.00 C ATOM 314 CD1 LEU A 36 -21.187 12.915 35.754 1.00 0.00 C ATOM 315 CD2 LEU A 36 -21.716 12.345 33.381 1.00 0.00 C ATOM 0 H LEU A 36 -18.154 12.587 33.538 1.00 0.00 H new ATOM 0 HA LEU A 36 -20.107 13.660 31.790 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.345 14.519 34.630 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -20.869 14.878 33.841 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.809 12.053 34.338 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -21.580 11.950 36.074 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -20.402 13.232 36.440 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -21.990 13.652 35.756 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -22.107 11.379 33.699 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -22.520 13.081 33.384 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -21.308 12.258 32.374 1.00 0.00 H new ATOM 316 N GLU A 37 -17.666 15.734 32.536 1.00 0.00 N ATOM 317 CA GLU A 37 -17.086 17.058 32.155 1.00 0.00 C ATOM 318 C GLU A 37 -15.794 16.869 31.352 1.00 0.00 C ATOM 319 O GLU A 37 -14.998 17.783 31.229 1.00 0.00 O ATOM 320 CB GLU A 37 -16.781 17.855 33.423 1.00 0.00 C ATOM 321 CG GLU A 37 -15.871 17.034 34.341 1.00 0.00 C ATOM 322 CD GLU A 37 -14.894 17.967 35.060 1.00 0.00 C ATOM 323 OE1 GLU A 37 -15.347 18.959 35.604 1.00 0.00 O ATOM 324 OE2 GLU A 37 -13.711 17.672 35.053 1.00 0.00 O ATOM 0 H GLU A 37 -17.080 15.165 33.147 1.00 0.00 H new ATOM 0 HA GLU A 37 -17.806 17.595 31.538 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -16.298 18.798 33.165 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -17.708 18.103 33.940 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.470 16.487 35.069 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.322 16.294 33.759 1.00 0.00 H new ATOM 325 N GLU A 38 -15.578 15.702 30.798 1.00 0.00 N ATOM 326 CA GLU A 38 -14.336 15.467 29.998 1.00 0.00 C ATOM 327 C GLU A 38 -14.707 15.306 28.517 1.00 0.00 C ATOM 328 O GLU A 38 -13.914 15.595 27.640 1.00 0.00 O ATOM 329 CB GLU A 38 -13.628 14.195 30.499 1.00 0.00 C ATOM 330 CG GLU A 38 -12.280 14.563 31.129 1.00 0.00 C ATOM 331 CD GLU A 38 -12.511 15.289 32.454 1.00 0.00 C ATOM 332 OE1 GLU A 38 -13.455 16.057 32.530 1.00 0.00 O ATOM 333 OE2 GLU A 38 -11.737 15.067 33.372 1.00 0.00 O ATOM 0 H GLU A 38 -16.207 14.902 30.865 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.664 16.317 30.113 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -14.254 13.684 31.231 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.476 13.503 29.671 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.688 13.663 31.295 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.712 15.198 30.450 1.00 0.00 H new ATOM 334 N HIS A 39 -15.902 14.849 28.235 1.00 0.00 N ATOM 335 CA HIS A 39 -16.324 14.668 26.814 1.00 0.00 C ATOM 336 C HIS A 39 -17.544 15.560 26.524 1.00 0.00 C ATOM 337 O HIS A 39 -18.665 15.131 26.711 1.00 0.00 O ATOM 338 CB HIS A 39 -16.702 13.204 26.571 1.00 0.00 C ATOM 339 CG HIS A 39 -15.577 12.311 27.020 1.00 0.00 C ATOM 340 ND1 HIS A 39 -14.951 11.420 26.163 1.00 0.00 N ATOM 341 CD2 HIS A 39 -14.959 12.161 28.235 1.00 0.00 C ATOM 342 CE1 HIS A 39 -14.001 10.781 26.869 1.00 0.00 C ATOM 343 NE2 HIS A 39 -13.962 11.194 28.137 1.00 0.00 N ATOM 0 H HIS A 39 -16.604 14.593 28.930 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.500 14.946 26.156 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -17.614 12.958 27.115 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.908 13.042 25.513 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -15.208 12.709 29.131 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -13.348 10.025 26.459 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.337 10.871 28.875 1.00 0.00 H new ATOM 344 N PRO A 40 -17.302 16.777 26.073 1.00 0.00 N ATOM 345 CA PRO A 40 -18.386 17.755 25.748 1.00 0.00 C ATOM 346 C PRO A 40 -18.934 17.494 24.340 1.00 0.00 C ATOM 347 O PRO A 40 -18.698 18.256 23.421 1.00 0.00 O ATOM 348 CB PRO A 40 -17.683 19.104 25.819 1.00 0.00 C ATOM 349 CG PRO A 40 -16.202 18.851 25.579 1.00 0.00 C ATOM 350 CD PRO A 40 -15.938 17.363 25.823 1.00 0.00 C ATOM 0 HA PRO A 40 -19.240 17.691 26.422 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.083 19.787 25.069 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.841 19.570 26.792 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.927 19.126 24.561 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.596 19.462 26.249 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.458 16.898 24.962 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.278 17.211 26.677 1.00 0.00 H new ATOM 351 N GLY A 41 -19.664 16.420 24.169 1.00 0.00 N ATOM 352 CA GLY A 41 -20.231 16.098 22.827 1.00 0.00 C ATOM 353 C GLY A 41 -21.724 15.788 22.964 1.00 0.00 C ATOM 354 O GLY A 41 -22.559 16.665 22.852 1.00 0.00 O ATOM 0 H GLY A 41 -19.891 15.751 24.905 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -20.084 16.937 22.147 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.709 15.244 22.396 1.00 0.00 H new ATOM 355 N GLY A 42 -22.060 14.547 23.206 1.00 0.00 N ATOM 356 CA GLY A 42 -23.497 14.170 23.352 1.00 0.00 C ATOM 357 C GLY A 42 -23.844 14.026 24.835 1.00 0.00 C ATOM 358 O GLY A 42 -24.709 13.256 25.204 1.00 0.00 O ATOM 0 H GLY A 42 -21.399 13.777 23.309 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -24.131 14.929 22.892 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -23.692 13.233 22.830 1.00 0.00 H new ATOM 359 N GLU A 43 -23.176 14.766 25.684 1.00 0.00 N ATOM 360 CA GLU A 43 -23.453 14.693 27.151 1.00 0.00 C ATOM 361 C GLU A 43 -23.160 13.270 27.671 1.00 0.00 C ATOM 362 O GLU A 43 -22.056 12.986 28.096 1.00 0.00 O ATOM 363 CB GLU A 43 -24.915 15.092 27.418 1.00 0.00 C ATOM 364 CG GLU A 43 -25.202 15.062 28.924 1.00 0.00 C ATOM 365 CD GLU A 43 -25.070 16.474 29.499 1.00 0.00 C ATOM 366 OE1 GLU A 43 -23.950 16.942 29.620 1.00 0.00 O ATOM 367 OE2 GLU A 43 -26.093 17.063 29.810 1.00 0.00 O ATOM 0 H GLU A 43 -22.443 15.424 25.420 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.803 15.387 27.684 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -25.106 16.090 27.023 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -25.587 14.410 26.898 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -26.205 14.677 29.106 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -24.506 14.388 29.424 1.00 0.00 H new ATOM 368 N GLU A 44 -24.125 12.378 27.648 1.00 0.00 N ATOM 369 CA GLU A 44 -23.876 10.988 28.150 1.00 0.00 C ATOM 370 C GLU A 44 -23.640 10.040 26.967 1.00 0.00 C ATOM 371 O GLU A 44 -24.418 9.139 26.712 1.00 0.00 O ATOM 372 CB GLU A 44 -25.055 10.472 29.009 1.00 0.00 C ATOM 373 CG GLU A 44 -26.404 11.039 28.534 1.00 0.00 C ATOM 374 CD GLU A 44 -26.658 10.640 27.079 1.00 0.00 C ATOM 375 OE1 GLU A 44 -26.880 9.466 26.838 1.00 0.00 O ATOM 376 OE2 GLU A 44 -26.627 11.517 26.231 1.00 0.00 O ATOM 0 H GLU A 44 -25.070 12.552 27.305 1.00 0.00 H new ATOM 0 HA GLU A 44 -22.988 11.015 28.782 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -25.084 9.383 28.968 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -24.892 10.747 30.051 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -27.208 10.665 29.168 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -26.404 12.125 28.627 1.00 0.00 H new ATOM 377 N VAL A 45 -22.562 10.234 26.250 1.00 0.00 N ATOM 378 CA VAL A 45 -22.261 9.347 25.085 1.00 0.00 C ATOM 379 C VAL A 45 -21.463 8.114 25.540 1.00 0.00 C ATOM 380 O VAL A 45 -20.945 7.376 24.723 1.00 0.00 O ATOM 381 CB VAL A 45 -21.440 10.124 24.054 1.00 0.00 C ATOM 382 CG1 VAL A 45 -22.286 11.262 23.480 1.00 0.00 C ATOM 383 CG2 VAL A 45 -20.194 10.705 24.727 1.00 0.00 C ATOM 0 H VAL A 45 -21.876 10.969 26.421 1.00 0.00 H new ATOM 0 HA VAL A 45 -23.201 9.018 24.643 1.00 0.00 H new ATOM 0 HB VAL A 45 -21.140 9.453 23.249 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -21.701 11.816 22.746 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.174 10.849 23.001 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -22.587 11.933 24.284 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.609 11.259 23.993 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.495 11.376 25.532 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -19.590 9.895 25.136 1.00 0.00 H new ATOM 384 N LEU A 46 -21.353 7.883 26.830 1.00 0.00 N ATOM 385 CA LEU A 46 -20.583 6.703 27.320 1.00 0.00 C ATOM 386 C LEU A 46 -21.511 5.490 27.514 1.00 0.00 C ATOM 387 O LEU A 46 -21.203 4.581 28.261 1.00 0.00 O ATOM 388 CB LEU A 46 -19.861 7.083 28.637 1.00 0.00 C ATOM 389 CG LEU A 46 -20.760 6.931 29.886 1.00 0.00 C ATOM 390 CD1 LEU A 46 -20.035 7.535 31.082 1.00 0.00 C ATOM 391 CD2 LEU A 46 -22.095 7.659 29.704 1.00 0.00 C ATOM 0 H LEU A 46 -21.765 8.464 27.560 1.00 0.00 H new ATOM 0 HA LEU A 46 -19.836 6.419 26.579 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.977 6.456 28.754 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -19.514 8.114 28.570 1.00 0.00 H new ATOM 0 HG LEU A 46 -20.963 5.871 30.041 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -20.656 7.436 31.972 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -19.092 7.012 31.238 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -19.838 8.590 30.893 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -22.703 7.533 30.600 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -21.911 8.720 29.537 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -22.622 7.243 28.845 1.00 0.00 H new ATOM 392 N ARG A 47 -22.642 5.469 26.847 1.00 0.00 N ATOM 393 CA ARG A 47 -23.581 4.317 26.995 1.00 0.00 C ATOM 394 C ARG A 47 -23.866 3.711 25.617 1.00 0.00 C ATOM 395 O ARG A 47 -23.448 2.609 25.319 1.00 0.00 O ATOM 396 CB ARG A 47 -24.887 4.802 27.629 1.00 0.00 C ATOM 397 CG ARG A 47 -25.777 3.599 27.951 1.00 0.00 C ATOM 398 CD ARG A 47 -26.544 3.863 29.249 1.00 0.00 C ATOM 399 NE ARG A 47 -27.256 2.622 29.666 1.00 0.00 N ATOM 400 CZ ARG A 47 -27.019 2.096 30.837 1.00 0.00 C ATOM 401 NH1 ARG A 47 -25.904 1.451 31.049 1.00 0.00 N ATOM 402 NH2 ARG A 47 -27.895 2.214 31.795 1.00 0.00 N ATOM 0 H ARG A 47 -22.952 6.201 26.208 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.131 3.558 27.635 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.675 5.365 28.538 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.404 5.479 26.949 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -26.475 3.421 27.133 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -25.169 2.700 28.052 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -25.856 4.181 30.032 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -27.258 4.674 29.104 1.00 0.00 H new ATOM 0 HE ARG A 47 -27.928 2.184 29.037 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -25.218 1.358 30.300 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -25.719 1.040 31.964 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -28.767 2.718 31.630 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.709 1.803 32.710 1.00 0.00 H new ATOM 403 N GLU A 48 -24.573 4.423 24.773 1.00 0.00 N ATOM 404 CA GLU A 48 -24.887 3.895 23.408 1.00 0.00 C ATOM 405 C GLU A 48 -25.649 2.570 23.525 1.00 0.00 C ATOM 406 O GLU A 48 -25.493 1.680 22.710 1.00 0.00 O ATOM 407 CB GLU A 48 -23.581 3.675 22.637 1.00 0.00 C ATOM 408 CG GLU A 48 -23.336 4.854 21.688 1.00 0.00 C ATOM 409 CD GLU A 48 -23.081 6.122 22.505 1.00 0.00 C ATOM 410 OE1 GLU A 48 -23.930 6.467 23.309 1.00 0.00 O ATOM 411 OE2 GLU A 48 -22.039 6.728 22.310 1.00 0.00 O ATOM 0 H GLU A 48 -24.947 5.351 24.972 1.00 0.00 H new ATOM 0 HA GLU A 48 -25.508 4.615 22.875 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -22.748 3.577 23.334 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -23.634 2.745 22.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -22.481 4.645 21.045 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -24.198 4.996 21.037 1.00 0.00 H new ATOM 412 N GLN A 49 -26.473 2.437 24.533 1.00 0.00 N ATOM 413 CA GLN A 49 -27.251 1.175 24.712 1.00 0.00 C ATOM 414 C GLN A 49 -28.727 1.441 24.408 1.00 0.00 C ATOM 415 O GLN A 49 -29.608 0.834 24.990 1.00 0.00 O ATOM 416 CB GLN A 49 -27.103 0.682 26.155 1.00 0.00 C ATOM 417 CG GLN A 49 -26.033 -0.411 26.220 1.00 0.00 C ATOM 418 CD GLN A 49 -24.647 0.219 26.066 1.00 0.00 C ATOM 419 OE1 GLN A 49 -24.071 0.759 27.105 1.00 0.00 O flip ATOM 420 NE2 GLN A 49 -24.082 0.219 24.991 1.00 0.00 N flip ATOM 0 H GLN A 49 -26.641 3.151 25.242 1.00 0.00 H new ATOM 0 HA GLN A 49 -26.872 0.413 24.031 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -26.829 1.512 26.807 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -28.055 0.294 26.516 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -26.099 -0.943 27.169 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -26.200 -1.145 25.432 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -24.532 -0.203 24.179 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -23.158 0.641 24.901 1.00 0.00 H new ATOM 421 N ALA A 50 -29.002 2.344 23.502 1.00 0.00 N ATOM 422 CA ALA A 50 -30.418 2.658 23.153 1.00 0.00 C ATOM 423 C ALA A 50 -30.688 2.253 21.702 1.00 0.00 C ATOM 424 O ALA A 50 -31.494 2.857 21.021 1.00 0.00 O ATOM 425 CB ALA A 50 -30.664 4.158 23.318 1.00 0.00 C ATOM 0 H ALA A 50 -28.303 2.879 22.987 1.00 0.00 H new ATOM 0 HA ALA A 50 -31.086 2.106 23.814 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -31.699 4.387 23.063 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -30.473 4.447 24.352 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -29.996 4.711 22.657 1.00 0.00 H new ATOM 426 N GLY A 51 -30.017 1.235 21.227 1.00 0.00 N ATOM 427 CA GLY A 51 -30.226 0.782 19.820 1.00 0.00 C ATOM 428 C GLY A 51 -28.897 0.827 19.065 1.00 0.00 C ATOM 429 O GLY A 51 -28.583 1.797 18.403 1.00 0.00 O ATOM 0 H GLY A 51 -29.331 0.696 21.756 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -30.628 -0.231 19.809 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -30.958 1.421 19.326 1.00 0.00 H new ATOM 430 N GLY A 52 -28.116 -0.220 19.160 1.00 0.00 N ATOM 431 CA GLY A 52 -26.804 -0.249 18.451 1.00 0.00 C ATOM 432 C GLY A 52 -26.417 -1.698 18.152 1.00 0.00 C ATOM 433 O GLY A 52 -27.261 -2.570 18.066 1.00 0.00 O ATOM 0 H GLY A 52 -28.333 -1.058 19.700 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -26.867 0.320 17.524 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -26.037 0.224 19.064 1.00 0.00 H new ATOM 434 N ASP A 53 -25.143 -1.960 17.991 1.00 0.00 N ATOM 435 CA ASP A 53 -24.690 -3.351 17.698 1.00 0.00 C ATOM 436 C ASP A 53 -23.599 -3.753 18.692 1.00 0.00 C ATOM 437 O ASP A 53 -22.469 -3.314 18.597 1.00 0.00 O ATOM 438 CB ASP A 53 -24.132 -3.415 16.273 1.00 0.00 C ATOM 439 CG ASP A 53 -23.053 -2.345 16.096 1.00 0.00 C ATOM 440 OD1 ASP A 53 -23.411 -1.185 15.979 1.00 0.00 O ATOM 441 OD2 ASP A 53 -21.887 -2.703 16.081 1.00 0.00 O ATOM 0 H ASP A 53 -24.397 -1.267 18.050 1.00 0.00 H new ATOM 0 HA ASP A 53 -25.534 -4.035 17.790 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -23.714 -4.403 16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -24.933 -3.261 15.551 1.00 0.00 H new ATOM 442 N ALA A 54 -23.931 -4.588 19.645 1.00 0.00 N ATOM 443 CA ALA A 54 -22.923 -5.029 20.658 1.00 0.00 C ATOM 444 C ALA A 54 -22.384 -3.813 21.415 1.00 0.00 C ATOM 445 O ALA A 54 -22.574 -2.683 21.006 1.00 0.00 O ATOM 446 CB ALA A 54 -21.769 -5.747 19.954 1.00 0.00 C ATOM 0 H ALA A 54 -24.863 -4.985 19.765 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.398 -5.710 21.364 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -21.035 -6.068 20.693 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -22.153 -6.618 19.422 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -21.296 -5.068 19.245 1.00 0.00 H new ATOM 447 N THR A 55 -21.711 -4.039 22.515 1.00 0.00 N ATOM 448 CA THR A 55 -21.154 -2.904 23.306 1.00 0.00 C ATOM 449 C THR A 55 -19.628 -2.903 23.193 1.00 0.00 C ATOM 450 O THR A 55 -18.927 -2.613 24.146 1.00 0.00 O ATOM 451 CB THR A 55 -21.559 -3.057 24.775 1.00 0.00 C ATOM 452 OG1 THR A 55 -20.929 -4.207 25.320 1.00 0.00 O ATOM 453 CG2 THR A 55 -23.077 -3.208 24.874 1.00 0.00 C ATOM 0 H THR A 55 -21.524 -4.965 22.899 1.00 0.00 H new ATOM 0 HA THR A 55 -21.547 -1.964 22.918 1.00 0.00 H new ATOM 0 HB THR A 55 -21.248 -2.174 25.333 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.186 -4.306 26.261 1.00 0.00 H new ATOM 0 HG21 THR A 55 -23.364 -3.317 25.920 1.00 0.00 H new ATOM 0 HG22 THR A 55 -23.559 -2.324 24.455 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.392 -4.091 24.317 1.00 0.00 H new ATOM 454 N GLU A 56 -19.110 -3.222 22.035 1.00 0.00 N ATOM 455 CA GLU A 56 -17.629 -3.242 21.847 1.00 0.00 C ATOM 456 C GLU A 56 -17.069 -1.833 22.059 1.00 0.00 C ATOM 457 O GLU A 56 -15.948 -1.662 22.498 1.00 0.00 O ATOM 458 CB GLU A 56 -17.300 -3.713 20.430 1.00 0.00 C ATOM 459 CG GLU A 56 -15.786 -3.881 20.285 1.00 0.00 C ATOM 460 CD GLU A 56 -15.344 -5.160 20.996 1.00 0.00 C ATOM 461 OE1 GLU A 56 -15.340 -6.200 20.358 1.00 0.00 O ATOM 462 OE2 GLU A 56 -15.014 -5.079 22.169 1.00 0.00 O ATOM 0 H GLU A 56 -19.652 -3.471 21.208 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.181 -3.924 22.569 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.803 -4.658 20.224 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.668 -2.991 19.701 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.514 -3.926 19.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.271 -3.019 20.711 1.00 0.00 H new ATOM 463 N ASN A 57 -17.845 -0.825 21.753 1.00 0.00 N ATOM 464 CA ASN A 57 -17.369 0.577 21.932 1.00 0.00 C ATOM 465 C ASN A 57 -18.570 1.525 21.948 1.00 0.00 C ATOM 466 O ASN A 57 -19.412 1.487 21.069 1.00 0.00 O ATOM 467 CB ASN A 57 -16.438 0.951 20.777 1.00 0.00 C ATOM 468 CG ASN A 57 -15.582 2.152 21.179 1.00 0.00 C ATOM 469 OD1 ASN A 57 -15.966 2.932 22.028 1.00 0.00 O ATOM 470 ND2 ASN A 57 -14.426 2.337 20.600 1.00 0.00 N ATOM 0 H ASN A 57 -18.792 -0.915 21.385 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.829 0.660 22.875 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.799 0.105 20.522 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -17.022 1.189 19.888 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.847 3.135 20.861 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.102 1.683 19.887 1.00 0.00 H new ATOM 471 N PHE A 58 -18.654 2.373 22.939 1.00 0.00 N ATOM 472 CA PHE A 58 -19.800 3.331 23.018 1.00 0.00 C ATOM 473 C PHE A 58 -19.326 4.738 22.645 1.00 0.00 C ATOM 474 O PHE A 58 -19.893 5.725 23.076 1.00 0.00 O ATOM 475 CB PHE A 58 -20.382 3.345 24.441 1.00 0.00 C ATOM 476 CG PHE A 58 -19.273 3.430 25.470 1.00 0.00 C ATOM 477 CD1 PHE A 58 -18.510 4.599 25.589 1.00 0.00 C ATOM 478 CD2 PHE A 58 -19.010 2.337 26.303 1.00 0.00 C ATOM 479 CE1 PHE A 58 -17.488 4.674 26.541 1.00 0.00 C ATOM 480 CE2 PHE A 58 -17.986 2.411 27.254 1.00 0.00 C ATOM 481 CZ PHE A 58 -17.225 3.581 27.374 1.00 0.00 C ATOM 0 H PHE A 58 -17.978 2.445 23.699 1.00 0.00 H new ATOM 0 HA PHE A 58 -20.574 3.012 22.320 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -21.057 4.193 24.555 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -20.972 2.443 24.607 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -18.711 5.443 24.945 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -19.598 1.436 26.212 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -16.901 5.576 26.633 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.782 1.566 27.895 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.436 3.639 28.109 1.00 0.00 H new ATOM 482 N GLU A 59 -18.293 4.839 21.846 1.00 0.00 N ATOM 483 CA GLU A 59 -17.781 6.181 21.441 1.00 0.00 C ATOM 484 C GLU A 59 -18.241 6.495 20.016 1.00 0.00 C ATOM 485 O GLU A 59 -18.579 5.608 19.255 1.00 0.00 O ATOM 486 CB GLU A 59 -16.251 6.181 21.495 1.00 0.00 C ATOM 487 CG GLU A 59 -15.791 6.418 22.936 1.00 0.00 C ATOM 488 CD GLU A 59 -14.492 7.225 22.931 1.00 0.00 C ATOM 489 OE1 GLU A 59 -13.535 6.767 22.329 1.00 0.00 O ATOM 490 OE2 GLU A 59 -14.476 8.288 23.529 1.00 0.00 O ATOM 0 H GLU A 59 -17.782 4.047 21.457 1.00 0.00 H new ATOM 0 HA GLU A 59 -18.169 6.938 22.122 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.864 5.230 21.130 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.853 6.958 20.843 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.561 6.953 23.492 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.637 5.465 23.441 1.00 0.00 H new ATOM 491 N ASP A 60 -18.257 7.753 19.653 1.00 0.00 N ATOM 492 CA ASP A 60 -18.694 8.137 18.279 1.00 0.00 C ATOM 493 C ASP A 60 -17.498 8.064 17.326 1.00 0.00 C ATOM 494 O ASP A 60 -16.364 7.946 17.749 1.00 0.00 O ATOM 495 CB ASP A 60 -19.244 9.563 18.302 1.00 0.00 C ATOM 496 CG ASP A 60 -20.086 9.807 17.049 1.00 0.00 C ATOM 497 OD1 ASP A 60 -21.031 9.064 16.840 1.00 0.00 O ATOM 498 OD2 ASP A 60 -19.774 10.733 16.319 1.00 0.00 O ATOM 0 H ASP A 60 -17.985 8.532 20.252 1.00 0.00 H new ATOM 0 HA ASP A 60 -19.472 7.454 17.938 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -19.850 9.716 19.195 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.424 10.279 18.347 1.00 0.00 H new ATOM 499 N VAL A 61 -17.748 8.133 16.043 1.00 0.00 N ATOM 500 CA VAL A 61 -16.633 8.069 15.053 1.00 0.00 C ATOM 501 C VAL A 61 -15.983 9.456 14.882 1.00 0.00 C ATOM 502 O VAL A 61 -15.086 9.625 14.077 1.00 0.00 O ATOM 503 CB VAL A 61 -17.183 7.573 13.705 1.00 0.00 C ATOM 504 CG1 VAL A 61 -18.226 8.560 13.166 1.00 0.00 C ATOM 505 CG2 VAL A 61 -16.036 7.437 12.698 1.00 0.00 C ATOM 0 H VAL A 61 -18.679 8.231 15.638 1.00 0.00 H new ATOM 0 HA VAL A 61 -15.872 7.378 15.414 1.00 0.00 H new ATOM 0 HB VAL A 61 -17.655 6.601 13.851 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -18.609 8.199 12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.047 8.646 13.877 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -17.764 9.537 13.026 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.429 7.085 11.744 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.558 8.406 12.558 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -15.304 6.722 13.074 1.00 0.00 H new ATOM 506 N GLY A 62 -16.423 10.448 15.626 1.00 0.00 N ATOM 507 CA GLY A 62 -15.822 11.808 15.495 1.00 0.00 C ATOM 508 C GLY A 62 -16.376 12.720 16.591 1.00 0.00 C ATOM 509 O GLY A 62 -17.370 13.397 16.402 1.00 0.00 O ATOM 0 H GLY A 62 -17.171 10.370 16.315 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.737 11.746 15.573 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.048 12.224 14.513 1.00 0.00 H new ATOM 510 N HIS A 63 -15.739 12.744 17.733 1.00 0.00 N ATOM 511 CA HIS A 63 -16.220 13.611 18.848 1.00 0.00 C ATOM 512 C HIS A 63 -15.192 14.709 19.122 1.00 0.00 C ATOM 513 O HIS A 63 -15.539 15.823 19.472 1.00 0.00 O ATOM 514 CB HIS A 63 -16.412 12.763 20.110 1.00 0.00 C ATOM 515 CG HIS A 63 -15.146 12.009 20.414 1.00 0.00 C ATOM 516 ND1 HIS A 63 -14.818 10.827 19.767 1.00 0.00 N ATOM 517 CD2 HIS A 63 -14.120 12.254 21.291 1.00 0.00 C ATOM 518 CE1 HIS A 63 -13.638 10.410 20.261 1.00 0.00 C ATOM 519 NE2 HIS A 63 -13.168 11.243 21.193 1.00 0.00 N ATOM 0 H HIS A 63 -14.903 12.198 17.941 1.00 0.00 H new ATOM 0 HA HIS A 63 -17.170 14.066 18.569 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -16.677 13.402 20.952 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -17.237 12.065 19.968 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -14.060 13.102 21.957 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -13.132 9.511 19.942 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -12.299 11.157 21.720 1.00 0.00 H new ATOM 520 N SER A 64 -13.928 14.405 18.961 1.00 0.00 N ATOM 521 CA SER A 64 -12.868 15.424 19.208 1.00 0.00 C ATOM 522 C SER A 64 -11.512 14.853 18.794 1.00 0.00 C ATOM 523 O SER A 64 -11.105 13.806 19.255 1.00 0.00 O ATOM 524 CB SER A 64 -12.839 15.781 20.694 1.00 0.00 C ATOM 525 OG SER A 64 -13.671 16.911 20.922 1.00 0.00 O ATOM 0 H SER A 64 -13.586 13.490 18.668 1.00 0.00 H new ATOM 0 HA SER A 64 -13.080 16.320 18.625 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.183 14.936 21.290 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.818 15.998 21.008 1.00 0.00 H new ATOM 0 HG SER A 64 -14.603 16.675 20.732 1.00 0.00 H new ATOM 526 N THR A 65 -10.812 15.538 17.920 1.00 0.00 N ATOM 527 CA THR A 65 -9.470 15.054 17.457 1.00 0.00 C ATOM 528 C THR A 65 -9.582 13.621 16.921 1.00 0.00 C ATOM 529 O THR A 65 -10.644 13.027 16.934 1.00 0.00 O ATOM 530 CB THR A 65 -8.454 15.092 18.614 1.00 0.00 C ATOM 531 OG1 THR A 65 -8.662 13.978 19.471 1.00 0.00 O ATOM 532 CG2 THR A 65 -8.611 16.389 19.413 1.00 0.00 C ATOM 0 H THR A 65 -11.115 16.419 17.504 1.00 0.00 H new ATOM 0 HA THR A 65 -9.124 15.712 16.660 1.00 0.00 H new ATOM 0 HB THR A 65 -7.447 15.050 18.200 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.560 14.028 19.860 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.887 16.404 20.228 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.438 17.243 18.758 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.620 16.444 19.822 1.00 0.00 H new ATOM 533 N ASP A 66 -8.492 13.066 16.453 1.00 0.00 N ATOM 534 CA ASP A 66 -8.526 11.673 15.917 1.00 0.00 C ATOM 535 C ASP A 66 -8.397 10.680 17.074 1.00 0.00 C ATOM 536 O ASP A 66 -7.336 10.140 17.327 1.00 0.00 O ATOM 537 CB ASP A 66 -7.365 11.475 14.939 1.00 0.00 C ATOM 538 CG ASP A 66 -7.844 11.752 13.513 1.00 0.00 C ATOM 539 OD1 ASP A 66 -8.969 11.393 13.207 1.00 0.00 O ATOM 540 OD2 ASP A 66 -7.079 12.319 12.750 1.00 0.00 O ATOM 0 H ASP A 66 -7.579 13.519 16.419 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.469 11.504 15.398 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.543 12.144 15.194 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.982 10.457 15.014 1.00 0.00 H new ATOM 541 N ALA A 67 -9.473 10.439 17.781 1.00 0.00 N ATOM 542 CA ALA A 67 -9.427 9.484 18.926 1.00 0.00 C ATOM 543 C ALA A 67 -9.752 8.074 18.429 1.00 0.00 C ATOM 544 O ALA A 67 -10.027 7.867 17.262 1.00 0.00 O ATOM 545 CB ALA A 67 -10.452 9.904 19.980 1.00 0.00 C ATOM 0 H ALA A 67 -10.384 10.865 17.612 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.430 9.491 19.366 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.419 9.207 20.817 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.219 10.908 20.334 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.449 9.897 19.541 1.00 0.00 H new ATOM 546 N ARG A 68 -9.725 7.107 19.309 1.00 0.00 N ATOM 547 CA ARG A 68 -10.032 5.705 18.901 1.00 0.00 C ATOM 548 C ARG A 68 -10.880 5.032 19.982 1.00 0.00 C ATOM 549 O ARG A 68 -11.869 4.387 19.693 1.00 0.00 O ATOM 550 CB ARG A 68 -8.725 4.928 18.721 1.00 0.00 C ATOM 551 CG ARG A 68 -8.028 5.389 17.440 1.00 0.00 C ATOM 552 CD ARG A 68 -8.428 4.473 16.282 1.00 0.00 C ATOM 553 NE ARG A 68 -7.514 3.294 16.245 1.00 0.00 N ATOM 554 CZ ARG A 68 -6.493 3.286 15.433 1.00 0.00 C ATOM 555 NH1 ARG A 68 -5.736 4.344 15.328 1.00 0.00 N ATOM 556 NH2 ARG A 68 -6.226 2.220 14.730 1.00 0.00 N ATOM 0 H ARG A 68 -9.502 7.229 20.297 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.583 5.713 17.960 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.073 5.088 19.580 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.930 3.859 18.671 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.303 6.419 17.214 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.947 5.371 17.575 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.460 4.144 16.404 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.376 5.017 15.339 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.687 2.495 16.854 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.943 5.176 15.881 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.937 4.339 14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.816 1.392 14.815 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.428 2.214 14.095 1.00 0.00 H new ATOM 557 N GLU A 69 -10.496 5.181 21.225 1.00 0.00 N ATOM 558 CA GLU A 69 -11.273 4.555 22.334 1.00 0.00 C ATOM 559 C GLU A 69 -10.658 4.960 23.677 1.00 0.00 C ATOM 560 O GLU A 69 -9.678 4.389 24.115 1.00 0.00 O ATOM 561 CB GLU A 69 -11.229 3.033 22.193 1.00 0.00 C ATOM 562 CG GLU A 69 -12.387 2.409 22.978 1.00 0.00 C ATOM 563 CD GLU A 69 -12.638 0.987 22.473 1.00 0.00 C ATOM 564 OE1 GLU A 69 -12.479 0.764 21.285 1.00 0.00 O ATOM 565 OE2 GLU A 69 -12.986 0.144 23.285 1.00 0.00 O ATOM 0 H GLU A 69 -9.675 5.711 21.519 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.308 4.894 22.289 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.297 2.753 21.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.278 2.651 22.564 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.152 2.392 24.042 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.287 3.012 22.860 1.00 0.00 H new ATOM 566 N LEU A 70 -11.228 5.942 24.330 1.00 0.00 N ATOM 567 CA LEU A 70 -10.685 6.388 25.647 1.00 0.00 C ATOM 568 C LEU A 70 -11.365 5.596 26.769 1.00 0.00 C ATOM 569 O LEU A 70 -11.879 6.155 27.720 1.00 0.00 O ATOM 570 CB LEU A 70 -10.949 7.894 25.821 1.00 0.00 C ATOM 571 CG LEU A 70 -10.255 8.436 27.085 1.00 0.00 C ATOM 572 CD1 LEU A 70 -8.764 8.085 27.078 1.00 0.00 C ATOM 573 CD2 LEU A 70 -10.406 9.958 27.125 1.00 0.00 C ATOM 0 H LEU A 70 -12.048 6.454 24.006 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.611 6.209 25.688 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.589 8.433 24.945 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.022 8.073 25.886 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.720 7.983 27.960 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.294 8.477 27.980 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.645 7.002 27.049 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.291 8.526 26.201 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.917 10.349 28.017 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.945 10.393 26.238 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.464 10.218 27.148 1.00 0.00 H new ATOM 574 N SER A 71 -11.369 4.292 26.661 1.00 0.00 N ATOM 575 CA SER A 71 -12.006 3.447 27.712 1.00 0.00 C ATOM 576 C SER A 71 -10.924 2.870 28.628 1.00 0.00 C ATOM 577 O SER A 71 -11.086 1.808 29.196 1.00 0.00 O ATOM 578 CB SER A 71 -12.771 2.304 27.046 1.00 0.00 C ATOM 579 OG SER A 71 -13.382 2.778 25.853 1.00 0.00 O ATOM 0 H SER A 71 -10.956 3.775 25.885 1.00 0.00 H new ATOM 0 HA SER A 71 -12.694 4.054 28.301 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.093 1.482 26.819 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.529 1.914 27.726 1.00 0.00 H new ATOM 0 HG SER A 71 -13.872 2.046 25.423 1.00 0.00 H new ATOM 580 N LYS A 72 -9.817 3.559 28.768 1.00 0.00 N ATOM 581 CA LYS A 72 -8.717 3.050 29.639 1.00 0.00 C ATOM 582 C LYS A 72 -8.495 4.004 30.815 1.00 0.00 C ATOM 583 O LYS A 72 -8.119 3.589 31.896 1.00 0.00 O ATOM 584 CB LYS A 72 -7.428 2.945 28.820 1.00 0.00 C ATOM 585 CG LYS A 72 -7.131 4.293 28.160 1.00 0.00 C ATOM 586 CD LYS A 72 -5.774 4.229 27.457 1.00 0.00 C ATOM 587 CE LYS A 72 -5.920 3.480 26.130 1.00 0.00 C ATOM 588 NZ LYS A 72 -6.524 4.386 25.112 1.00 0.00 N ATOM 0 H LYS A 72 -9.630 4.453 28.315 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.991 2.067 30.023 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.598 2.653 29.464 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.530 2.170 28.060 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.913 4.538 27.442 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.127 5.084 28.910 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.397 5.236 27.279 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.047 3.725 28.093 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.946 3.130 25.789 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.546 2.598 26.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.046 4.249 24.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.536 4.168 25.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.412 5.374 25.417 1.00 0.00 H new ATOM 589 N THR A 73 -8.719 5.279 30.613 1.00 0.00 N ATOM 590 CA THR A 73 -8.512 6.263 31.720 1.00 0.00 C ATOM 591 C THR A 73 -9.830 6.507 32.469 1.00 0.00 C ATOM 592 O THR A 73 -9.981 7.506 33.145 1.00 0.00 O ATOM 593 CB THR A 73 -7.987 7.588 31.142 1.00 0.00 C ATOM 594 OG1 THR A 73 -7.714 8.486 32.209 1.00 0.00 O ATOM 595 CG2 THR A 73 -9.027 8.215 30.204 1.00 0.00 C ATOM 0 H THR A 73 -9.036 5.680 29.730 1.00 0.00 H new ATOM 0 HA THR A 73 -7.781 5.859 32.420 1.00 0.00 H new ATOM 0 HB THR A 73 -7.077 7.391 30.575 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.451 8.461 32.854 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.639 9.152 29.804 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.237 7.529 29.383 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.946 8.410 30.758 1.00 0.00 H new ATOM 596 N TYR A 74 -10.781 5.607 32.358 1.00 0.00 N ATOM 597 CA TYR A 74 -12.080 5.800 33.068 1.00 0.00 C ATOM 598 C TYR A 74 -12.550 4.470 33.667 1.00 0.00 C ATOM 599 O TYR A 74 -13.722 4.297 33.948 1.00 0.00 O ATOM 600 CB TYR A 74 -13.134 6.307 32.079 1.00 0.00 C ATOM 601 CG TYR A 74 -12.706 7.634 31.489 1.00 0.00 C ATOM 602 CD1 TYR A 74 -12.306 8.684 32.327 1.00 0.00 C ATOM 603 CD2 TYR A 74 -12.717 7.817 30.099 1.00 0.00 C ATOM 604 CE1 TYR A 74 -11.919 9.911 31.777 1.00 0.00 C ATOM 605 CE2 TYR A 74 -12.331 9.045 29.553 1.00 0.00 C ATOM 606 CZ TYR A 74 -11.931 10.092 30.390 1.00 0.00 C ATOM 607 OH TYR A 74 -11.551 11.304 29.848 1.00 0.00 O ATOM 0 H TYR A 74 -10.711 4.751 31.807 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.944 6.529 33.867 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -13.277 5.576 31.283 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -14.093 6.419 32.585 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.297 8.546 33.398 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.023 7.010 29.450 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.611 10.719 32.424 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.342 9.186 28.482 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.573 11.359 29.822 1.00 0.00 H new ATOM 608 N ILE A 75 -11.657 3.530 33.862 1.00 0.00 N ATOM 609 CA ILE A 75 -12.069 2.215 34.440 1.00 0.00 C ATOM 610 C ILE A 75 -11.688 2.165 35.923 1.00 0.00 C ATOM 611 O ILE A 75 -10.782 2.843 36.363 1.00 0.00 O ATOM 612 CB ILE A 75 -11.365 1.060 33.717 1.00 0.00 C ATOM 613 CG1 ILE A 75 -11.361 1.308 32.200 1.00 0.00 C ATOM 614 CG2 ILE A 75 -12.115 -0.239 34.030 1.00 0.00 C ATOM 615 CD1 ILE A 75 -10.672 0.145 31.477 1.00 0.00 C ATOM 0 H ILE A 75 -10.664 3.617 33.646 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.147 2.112 34.320 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.332 0.987 34.057 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.384 1.416 31.839 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.844 2.242 31.978 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -11.627 -1.072 33.523 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -12.107 -0.414 35.106 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.145 -0.157 33.684 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.675 0.331 30.403 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.644 0.057 31.827 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.207 -0.781 31.686 1.00 0.00 H new ATOM 616 N ILE A 76 -12.373 1.354 36.687 1.00 0.00 N ATOM 617 CA ILE A 76 -12.058 1.235 38.147 1.00 0.00 C ATOM 618 C ILE A 76 -11.727 -0.219 38.484 1.00 0.00 C ATOM 619 O ILE A 76 -10.847 -0.495 39.279 1.00 0.00 O ATOM 620 CB ILE A 76 -13.248 1.685 39.016 1.00 0.00 C ATOM 621 CG1 ILE A 76 -14.585 1.429 38.297 1.00 0.00 C ATOM 622 CG2 ILE A 76 -13.111 3.174 39.324 1.00 0.00 C ATOM 623 CD1 ILE A 76 -15.688 1.191 39.328 1.00 0.00 C ATOM 0 H ILE A 76 -13.141 0.766 36.363 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.205 1.880 38.358 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.241 1.108 39.941 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.840 2.282 37.668 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.496 0.564 37.640 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.951 3.497 39.939 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.179 3.350 39.861 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -13.105 3.739 38.392 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -16.633 1.010 38.815 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -15.435 0.324 39.938 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.784 2.069 39.967 1.00 0.00 H new ATOM 624 N GLY A 77 -12.432 -1.150 37.895 1.00 0.00 N ATOM 625 CA GLY A 77 -12.170 -2.592 38.185 1.00 0.00 C ATOM 626 C GLY A 77 -12.879 -3.461 37.147 1.00 0.00 C ATOM 627 O GLY A 77 -13.036 -3.072 36.006 1.00 0.00 O ATOM 0 H GLY A 77 -13.180 -0.974 37.224 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.098 -2.788 38.167 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.523 -2.842 39.186 1.00 0.00 H new ATOM 628 N GLU A 78 -13.314 -4.634 37.538 1.00 0.00 N ATOM 629 CA GLU A 78 -14.018 -5.532 36.576 1.00 0.00 C ATOM 630 C GLU A 78 -15.385 -5.922 37.147 1.00 0.00 C ATOM 631 O GLU A 78 -15.789 -5.447 38.192 1.00 0.00 O ATOM 632 CB GLU A 78 -13.190 -6.796 36.341 1.00 0.00 C ATOM 633 CG GLU A 78 -12.125 -6.517 35.278 1.00 0.00 C ATOM 634 CD GLU A 78 -11.414 -7.822 34.912 1.00 0.00 C ATOM 635 OE1 GLU A 78 -11.197 -8.626 35.805 1.00 0.00 O ATOM 636 OE2 GLU A 78 -11.098 -7.995 33.746 1.00 0.00 O ATOM 0 H GLU A 78 -13.211 -5.007 38.482 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.150 -5.007 35.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.717 -7.112 37.271 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.836 -7.612 36.018 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.586 -6.081 34.392 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.404 -5.790 35.652 1.00 0.00 H new ATOM 637 N LEU A 79 -16.095 -6.791 36.471 1.00 0.00 N ATOM 638 CA LEU A 79 -17.434 -7.226 36.968 1.00 0.00 C ATOM 639 C LEU A 79 -17.266 -8.473 37.835 1.00 0.00 C ATOM 640 O LEU A 79 -16.546 -9.389 37.482 1.00 0.00 O ATOM 641 CB LEU A 79 -18.340 -7.567 35.775 1.00 0.00 C ATOM 642 CG LEU A 79 -19.813 -7.268 36.103 1.00 0.00 C ATOM 643 CD1 LEU A 79 -20.268 -8.069 37.325 1.00 0.00 C ATOM 644 CD2 LEU A 79 -19.984 -5.772 36.382 1.00 0.00 C ATOM 0 H LEU A 79 -15.802 -7.219 35.593 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.883 -6.422 37.551 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -18.033 -6.990 34.903 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.227 -8.620 35.516 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.424 -7.557 35.248 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.312 -7.843 37.540 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.162 -9.135 37.122 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.654 -7.801 38.185 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.028 -5.562 36.614 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.360 -5.486 37.228 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.686 -5.201 35.502 1.00 0.00 H new ATOM 645 N HIS A 80 -17.940 -8.526 38.957 1.00 0.00 N ATOM 646 CA HIS A 80 -17.844 -9.724 39.850 1.00 0.00 C ATOM 647 C HIS A 80 -18.168 -10.994 39.026 1.00 0.00 C ATOM 648 O HIS A 80 -19.043 -10.957 38.186 1.00 0.00 O ATOM 649 CB HIS A 80 -18.859 -9.568 40.988 1.00 0.00 C ATOM 650 CG HIS A 80 -18.480 -10.461 42.136 1.00 0.00 C ATOM 651 ND1 HIS A 80 -19.200 -11.601 42.449 1.00 0.00 N ATOM 652 CD2 HIS A 80 -17.453 -10.401 43.047 1.00 0.00 C ATOM 653 CE1 HIS A 80 -18.605 -12.183 43.504 1.00 0.00 C ATOM 654 NE2 HIS A 80 -17.538 -11.491 43.907 1.00 0.00 N ATOM 0 H HIS A 80 -18.556 -7.787 39.295 1.00 0.00 H new ATOM 0 HA HIS A 80 -16.840 -9.812 40.265 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -18.891 -8.530 41.319 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.858 -9.821 40.633 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.699 -9.629 43.089 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -18.948 -13.096 43.967 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.915 -11.714 44.683 1.00 0.00 H new ATOM 655 N PRO A 81 -17.450 -12.076 39.261 1.00 0.00 N ATOM 656 CA PRO A 81 -17.654 -13.359 38.508 1.00 0.00 C ATOM 657 C PRO A 81 -18.943 -14.065 38.943 1.00 0.00 C ATOM 658 O PRO A 81 -19.426 -14.951 38.264 1.00 0.00 O ATOM 659 CB PRO A 81 -16.423 -14.185 38.857 1.00 0.00 C ATOM 660 CG PRO A 81 -15.891 -13.652 40.175 1.00 0.00 C ATOM 661 CD PRO A 81 -16.359 -12.201 40.294 1.00 0.00 C ATOM 0 HA PRO A 81 -17.763 -13.202 37.435 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.679 -15.241 38.943 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.668 -14.102 38.075 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.263 -14.247 41.009 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.803 -13.709 40.203 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -16.732 -11.984 41.295 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.545 -11.503 40.099 1.00 0.00 H new ATOM 662 N ASP A 82 -19.502 -13.684 40.064 1.00 0.00 N ATOM 663 CA ASP A 82 -20.755 -14.335 40.545 1.00 0.00 C ATOM 664 C ASP A 82 -21.869 -14.210 39.496 1.00 0.00 C ATOM 665 O ASP A 82 -22.783 -15.014 39.470 1.00 0.00 O ATOM 666 CB ASP A 82 -21.207 -13.663 41.842 1.00 0.00 C ATOM 667 CG ASP A 82 -22.378 -14.445 42.442 1.00 0.00 C ATOM 668 OD1 ASP A 82 -22.123 -15.422 43.127 1.00 0.00 O ATOM 669 OD2 ASP A 82 -23.508 -14.054 42.207 1.00 0.00 O ATOM 0 H ASP A 82 -19.141 -12.946 40.669 1.00 0.00 H new ATOM 0 HA ASP A 82 -20.555 -15.392 40.719 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -20.380 -13.625 42.551 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -21.506 -12.634 41.645 1.00 0.00 H new ATOM 670 N ASP A 83 -21.818 -13.210 38.642 1.00 0.00 N ATOM 671 CA ASP A 83 -22.900 -13.054 37.621 1.00 0.00 C ATOM 672 C ASP A 83 -22.325 -13.012 36.196 1.00 0.00 C ATOM 673 O ASP A 83 -23.065 -13.084 35.233 1.00 0.00 O ATOM 674 CB ASP A 83 -23.661 -11.759 37.895 1.00 0.00 C ATOM 675 CG ASP A 83 -24.276 -11.818 39.294 1.00 0.00 C ATOM 676 OD1 ASP A 83 -25.358 -12.367 39.422 1.00 0.00 O ATOM 677 OD2 ASP A 83 -23.654 -11.313 40.215 1.00 0.00 O ATOM 0 H ASP A 83 -21.082 -12.505 38.610 1.00 0.00 H new ATOM 0 HA ASP A 83 -23.567 -13.913 37.693 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -22.988 -10.905 37.817 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -24.442 -11.618 37.148 1.00 0.00 H new ATOM 678 N ARG A 84 -21.026 -12.895 36.044 1.00 0.00 N ATOM 679 CA ARG A 84 -20.430 -12.847 34.669 1.00 0.00 C ATOM 680 C ARG A 84 -20.835 -14.098 33.879 1.00 0.00 C ATOM 681 O ARG A 84 -21.250 -15.092 34.447 1.00 0.00 O ATOM 682 CB ARG A 84 -18.905 -12.782 34.772 1.00 0.00 C ATOM 683 CG ARG A 84 -18.451 -11.321 34.726 1.00 0.00 C ATOM 684 CD ARG A 84 -18.144 -10.922 33.279 1.00 0.00 C ATOM 685 NE ARG A 84 -18.619 -9.530 33.035 1.00 0.00 N ATOM 686 CZ ARG A 84 -19.536 -9.302 32.134 1.00 0.00 C ATOM 687 NH1 ARG A 84 -19.371 -9.729 30.911 1.00 0.00 N ATOM 688 NH2 ARG A 84 -20.619 -8.648 32.456 1.00 0.00 N ATOM 0 H ARG A 84 -20.355 -12.831 36.809 1.00 0.00 H new ATOM 0 HA ARG A 84 -20.799 -11.961 34.152 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.573 -13.248 35.700 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.451 -13.341 33.954 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -19.228 -10.675 35.134 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.565 -11.185 35.347 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -17.072 -10.990 33.091 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -18.633 -11.610 32.589 1.00 0.00 H new ATOM 0 HE ARG A 84 -18.228 -8.756 33.572 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -18.525 -10.241 30.659 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -20.088 -9.551 30.207 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -20.749 -8.315 33.411 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -21.335 -8.470 31.752 1.00 0.00 H new ATOM 689 N SER A 85 -20.723 -14.050 32.576 1.00 0.00 N ATOM 690 CA SER A 85 -21.107 -15.227 31.740 1.00 0.00 C ATOM 691 C SER A 85 -19.940 -16.213 31.662 1.00 0.00 C ATOM 692 O SER A 85 -19.033 -16.053 30.867 1.00 0.00 O ATOM 693 CB SER A 85 -21.468 -14.755 30.332 1.00 0.00 C ATOM 694 OG SER A 85 -22.402 -13.687 30.420 1.00 0.00 O ATOM 0 H SER A 85 -20.381 -13.243 32.054 1.00 0.00 H new ATOM 0 HA SER A 85 -21.966 -15.723 32.192 1.00 0.00 H new ATOM 0 HB2 SER A 85 -20.572 -14.427 29.805 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.893 -15.578 29.758 1.00 0.00 H new ATOM 0 HG SER A 85 -22.634 -13.381 29.519 1.00 0.00 H new ATOM 695 N LYS A 86 -19.962 -17.237 32.478 1.00 0.00 N ATOM 696 CA LYS A 86 -18.864 -18.250 32.459 1.00 0.00 C ATOM 697 C LYS A 86 -19.151 -19.332 33.503 1.00 0.00 C ATOM 698 O LYS A 86 -18.896 -20.501 33.281 1.00 0.00 O ATOM 699 CB LYS A 86 -17.522 -17.577 32.770 1.00 0.00 C ATOM 700 CG LYS A 86 -17.616 -16.810 34.092 1.00 0.00 C ATOM 701 CD LYS A 86 -16.742 -15.555 34.013 1.00 0.00 C ATOM 702 CE LYS A 86 -16.494 -15.014 35.423 1.00 0.00 C ATOM 703 NZ LYS A 86 -15.766 -13.717 35.333 1.00 0.00 N ATOM 0 H LYS A 86 -20.699 -17.415 33.161 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.812 -18.702 31.469 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.734 -18.328 32.831 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.251 -16.896 31.963 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.651 -16.534 34.293 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.289 -17.443 34.917 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.793 -15.790 33.530 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.231 -14.796 33.402 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.442 -14.877 35.944 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.913 -15.731 36.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.985 -13.138 36.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.742 -13.896 35.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.062 -13.211 34.474 1.00 0.00 H new ATOM 704 N ILE A 87 -19.686 -18.951 34.636 1.00 0.00 N ATOM 705 CA ILE A 87 -19.998 -19.956 35.698 1.00 0.00 C ATOM 706 C ILE A 87 -21.391 -20.537 35.444 1.00 0.00 C ATOM 707 O ILE A 87 -22.173 -19.987 34.691 1.00 0.00 O ATOM 708 CB ILE A 87 -19.976 -19.281 37.074 1.00 0.00 C ATOM 709 CG1 ILE A 87 -18.684 -18.474 37.236 1.00 0.00 C ATOM 710 CG2 ILE A 87 -20.041 -20.351 38.166 1.00 0.00 C ATOM 711 CD1 ILE A 87 -18.785 -17.601 38.489 1.00 0.00 C ATOM 0 H ILE A 87 -19.920 -17.987 34.871 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.253 -20.751 35.675 1.00 0.00 H new ATOM 0 HB ILE A 87 -20.833 -18.613 37.159 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.830 -19.146 37.315 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.519 -17.851 36.357 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -20.025 -19.873 39.145 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -20.961 -20.926 38.058 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -19.183 -21.017 38.074 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.867 -17.026 38.607 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.630 -16.920 38.391 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.930 -18.235 39.364 1.00 0.00 H new ATOM 712 N ALA A 88 -21.707 -21.646 36.066 1.00 0.00 N ATOM 713 CA ALA A 88 -23.050 -22.268 35.868 1.00 0.00 C ATOM 714 C ALA A 88 -24.135 -21.305 36.354 1.00 0.00 C ATOM 715 O ALA A 88 -25.236 -21.285 35.836 1.00 0.00 O ATOM 716 CB ALA A 88 -23.131 -23.573 36.664 1.00 0.00 C ATOM 0 H ALA A 88 -21.090 -22.148 36.704 1.00 0.00 H new ATOM 0 HA ALA A 88 -23.200 -22.479 34.809 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -24.111 -24.027 36.520 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -22.359 -24.259 36.317 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -22.981 -23.363 37.723 1.00 0.00 H new ATOM 717 N LYS A 89 -23.828 -20.506 37.347 1.00 0.00 N ATOM 718 CA LYS A 89 -24.827 -19.533 37.885 1.00 0.00 C ATOM 719 C LYS A 89 -26.040 -20.290 38.451 1.00 0.00 C ATOM 720 O LYS A 89 -26.287 -21.419 38.071 1.00 0.00 O ATOM 721 CB LYS A 89 -25.288 -18.587 36.767 1.00 0.00 C ATOM 722 CG LYS A 89 -24.494 -17.280 36.841 1.00 0.00 C ATOM 723 CD LYS A 89 -24.360 -16.684 35.438 1.00 0.00 C ATOM 724 CE LYS A 89 -25.691 -16.053 35.022 1.00 0.00 C ATOM 725 NZ LYS A 89 -25.766 -14.660 35.546 1.00 0.00 N ATOM 0 H LYS A 89 -22.920 -20.487 37.811 1.00 0.00 H new ATOM 0 HA LYS A 89 -24.362 -18.951 38.681 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -25.143 -19.058 35.795 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -26.354 -18.383 36.866 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -24.997 -16.573 37.501 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -23.507 -17.465 37.265 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.570 -15.934 35.424 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -24.075 -17.460 34.727 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -25.780 -16.049 33.936 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -26.522 -16.643 35.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -26.499 -14.133 35.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -26.005 -14.682 36.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.847 -14.191 35.418 1.00 0.00 H new ATOM 726 N PRO A 90 -26.769 -19.656 39.350 1.00 0.00 N ATOM 727 CA PRO A 90 -27.977 -20.255 39.996 1.00 0.00 C ATOM 728 C PRO A 90 -29.212 -20.046 39.115 1.00 0.00 C ATOM 729 O PRO A 90 -29.104 -19.702 37.954 1.00 0.00 O ATOM 730 CB PRO A 90 -28.102 -19.476 41.299 1.00 0.00 C ATOM 731 CG PRO A 90 -27.409 -18.136 41.093 1.00 0.00 C ATOM 732 CD PRO A 90 -26.508 -18.263 39.860 1.00 0.00 C ATOM 0 HA PRO A 90 -27.894 -21.331 40.152 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -29.150 -19.330 41.561 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.641 -20.025 42.121 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -28.143 -17.343 40.950 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -26.820 -17.871 41.971 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -26.753 -17.512 39.109 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -25.458 -18.124 40.118 1.00 0.00 H new ATOM 733 N SER A 91 -30.383 -20.250 39.664 1.00 0.00 N ATOM 734 CA SER A 91 -31.632 -20.065 38.869 1.00 0.00 C ATOM 735 C SER A 91 -32.423 -18.884 39.434 1.00 0.00 C ATOM 736 O SER A 91 -33.639 -18.903 39.472 1.00 0.00 O ATOM 737 CB SER A 91 -32.480 -21.334 38.948 1.00 0.00 C ATOM 738 OG SER A 91 -32.936 -21.511 40.282 1.00 0.00 O ATOM 0 H SER A 91 -30.527 -20.538 40.632 1.00 0.00 H new ATOM 0 HA SER A 91 -31.376 -19.866 37.828 1.00 0.00 H new ATOM 0 HB2 SER A 91 -33.329 -21.261 38.268 1.00 0.00 H new ATOM 0 HB3 SER A 91 -31.893 -22.197 38.634 1.00 0.00 H new ATOM 0 HG SER A 91 -33.482 -22.323 40.336 1.00 0.00 H new ATOM 739 N GLU A 92 -31.740 -17.856 39.873 1.00 0.00 N ATOM 740 CA GLU A 92 -32.439 -16.662 40.442 1.00 0.00 C ATOM 741 C GLU A 92 -33.261 -17.079 41.664 1.00 0.00 C ATOM 742 O GLU A 92 -33.530 -18.248 41.871 1.00 0.00 O ATOM 743 CB GLU A 92 -33.368 -16.055 39.385 1.00 0.00 C ATOM 744 CG GLU A 92 -32.578 -15.789 38.102 1.00 0.00 C ATOM 745 CD GLU A 92 -31.667 -14.577 38.305 1.00 0.00 C ATOM 746 OE1 GLU A 92 -32.186 -13.511 38.591 1.00 0.00 O ATOM 747 OE2 GLU A 92 -30.464 -14.737 38.172 1.00 0.00 O ATOM 0 H GLU A 92 -30.722 -17.792 39.862 1.00 0.00 H new ATOM 0 HA GLU A 92 -31.697 -15.921 40.740 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -34.196 -16.734 39.181 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -33.801 -15.127 39.757 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -31.983 -16.664 37.840 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -33.262 -15.608 37.272 1.00 0.00 H new ATOM 748 N THR A 93 -33.657 -16.130 42.475 1.00 0.00 N ATOM 749 CA THR A 93 -34.461 -16.462 43.689 1.00 0.00 C ATOM 750 C THR A 93 -35.158 -15.200 44.198 1.00 0.00 C ATOM 751 O THR A 93 -34.518 -14.257 44.628 1.00 0.00 O ATOM 752 CB THR A 93 -33.536 -17.010 44.779 1.00 0.00 C ATOM 753 OG1 THR A 93 -32.268 -16.376 44.684 1.00 0.00 O ATOM 754 CG2 THR A 93 -33.368 -18.519 44.599 1.00 0.00 C ATOM 0 H THR A 93 -33.457 -15.138 42.348 1.00 0.00 H new ATOM 0 HA THR A 93 -35.209 -17.213 43.436 1.00 0.00 H new ATOM 0 HB THR A 93 -33.971 -16.810 45.758 1.00 0.00 H new ATOM 0 HG1 THR A 93 -31.675 -16.724 45.382 1.00 0.00 H new ATOM 0 HG21 THR A 93 -32.709 -18.907 45.376 1.00 0.00 H new ATOM 0 HG22 THR A 93 -34.341 -19.005 44.672 1.00 0.00 H new ATOM 0 HG23 THR A 93 -32.934 -18.723 43.620 1.00 0.00 H new ATOM 755 N LEU A 94 -36.466 -15.176 44.157 1.00 0.00 N ATOM 756 CA LEU A 94 -37.216 -13.979 44.638 1.00 0.00 C ATOM 757 C LEU A 94 -38.720 -14.252 44.554 1.00 0.00 C ATOM 758 O LEU A 94 -39.310 -14.530 45.586 1.00 0.00 O ATOM 759 CB LEU A 94 -36.868 -12.773 43.763 1.00 0.00 C ATOM 760 CG LEU A 94 -37.118 -11.485 44.550 1.00 0.00 C ATOM 761 CD1 LEU A 94 -35.954 -11.237 45.510 1.00 0.00 C ATOM 762 CD2 LEU A 94 -37.234 -10.309 43.576 1.00 0.00 C ATOM 763 OXT LEU A 94 -39.255 -14.177 43.460 1.00 0.00 O ATOM 0 H LEU A 94 -37.048 -15.938 43.809 1.00 0.00 H new ATOM 0 HA LEU A 94 -36.941 -13.770 45.672 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -35.825 -12.825 43.451 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -37.473 -12.781 42.856 1.00 0.00 H new ATOM 0 HG LEU A 94 -38.043 -11.581 45.119 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -36.133 -10.319 46.070 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -35.869 -12.074 46.203 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -35.028 -11.141 44.942 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -37.412 -9.390 44.135 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -36.309 -10.215 43.008 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -38.064 -10.484 42.891 1.00 0.00 H new TER 764 LEU A 94