USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 971 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 60 ASN : amide:sc= -6.37! C(o=-36!,f=-49!) USER MOD Set 1.2: A 62 HIS :FLIP no HE2:sc= -11.9! C(o=-39!,f=-36!) USER MOD Set 1.3: A 95 HIS :FLIP no HD1:sc= -18.9! C(o=-39!,f=-36!) USER MOD Set 1.4: A 109 TYR OH : rot -155:sc= 0.789 USER MOD Set 2.1: A 53 THR OG1 : rot -28:sc= 1.18 USER MOD Set 2.2: A 55 SER OG : rot 180:sc= -0.692 USER MOD Set 3.1: A 26 MET CE :methyl 143:sc= -12.9! (180deg=-10.1!) USER MOD Set 3.2: A 70 SER OG : rot -170:sc= -0.77 USER MOD Single : A 1 VAL N :NH3+ -115:sc= 0.131 (180deg=-0.171) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00737) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -39:sc= -0.195! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 37:sc= -0.0861 USER MOD Single : A 15 THR OG1 : rot -41:sc= -0.109! USER MOD Single : A 19 GLN :FLIP amide:sc= -9.35! C(o=-11!,f=-9.3!) USER MOD Single : A 25 ASN : amide:sc= -13.4! C(o=-13!,f=-16!) USER MOD Single : A 28 MET CE :methyl -151:sc= -13.1! (180deg=-17.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 34 LYS NZ :NH3+ -100:sc= -0.562 (180deg=-1.34!) USER MOD Single : A 35 SER OG : rot -146:sc= -1.14! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -5.37! C(o=-5.4!,f=-13!) USER MOD Single : A 40 TYR OH : rot 30:sc= -3.09! USER MOD Single : A 44 CYS SG : rot 137:sc= -4.01! USER MOD Single : A 45 TYR OH : rot 80:sc= -0.268 USER MOD Single : A 49 SER OG : rot 180:sc= -1.58! USER MOD Single : A 50 THR OG1 : rot 108:sc= -0.0325 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -30:sc= -3.54! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -9.74! C(o=-9.7!,f=-13!) USER MOD Single : A 69 SER OG : rot -128:sc= -5.05! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -6.58! C(o=-6.6!,f=-10!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 75:sc= -2.25! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.3!) USER MOD Single : A 84 MET CE :methyl 142:sc= -6.48! (180deg=-8!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.281 USER MOD Single : A 94 GLN : amide:sc= -0.642 K(o=-0.64,f=-5.4!) USER MOD Single : A 99 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.039) USER MOD Single : A 101 HIS : no HD1:sc= -0.604 X(o=-0.6,f=-0.32) USER MOD Single : A 103 SER OG : rot 180:sc= -0.144 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.315 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.461 F(o=-1.6,f=-0.46) USER MOD Single : A 123 SER OG : rot 74:sc= 0.0173 USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.288 -17.048 -30.449 1.00 0.00 N ATOM 2 CA VAL A 1 13.112 -16.932 -29.213 1.00 0.00 C ATOM 3 C VAL A 1 13.845 -15.587 -29.215 1.00 0.00 C ATOM 4 O VAL A 1 13.831 -14.866 -30.191 1.00 0.00 O ATOM 5 CB VAL A 1 14.134 -18.071 -29.172 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.220 -17.822 -30.220 1.00 0.00 C ATOM 7 CG2 VAL A 1 14.770 -18.133 -27.783 1.00 0.00 C ATOM 0 H1 VAL A 1 11.280 -17.075 -30.193 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.468 -16.229 -31.064 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.540 -17.922 -30.954 1.00 0.00 H new ATOM 0 HA VAL A 1 12.466 -16.993 -28.337 1.00 0.00 H new ATOM 0 HB VAL A 1 13.634 -19.016 -29.386 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.947 -18.633 -30.190 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.767 -17.777 -31.210 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.721 -16.878 -30.007 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.498 -18.944 -27.752 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.270 -17.188 -27.569 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.996 -18.312 -27.036 1.00 0.00 H new ATOM 19 N GLU A 2 14.484 -15.249 -28.127 1.00 0.00 N ATOM 20 CA GLU A 2 15.219 -13.953 -28.057 1.00 0.00 C ATOM 21 C GLU A 2 14.221 -12.820 -27.783 1.00 0.00 C ATOM 22 O GLU A 2 13.325 -12.565 -28.562 1.00 0.00 O ATOM 23 CB GLU A 2 15.984 -13.725 -29.380 1.00 0.00 C ATOM 24 CG GLU A 2 15.341 -12.609 -30.218 1.00 0.00 C ATOM 25 CD GLU A 2 16.076 -12.486 -31.555 1.00 0.00 C ATOM 26 OE1 GLU A 2 17.184 -11.974 -31.554 1.00 0.00 O ATOM 27 OE2 GLU A 2 15.519 -12.905 -32.556 1.00 0.00 O ATOM 0 H GLU A 2 14.529 -15.817 -27.281 1.00 0.00 H new ATOM 0 HA GLU A 2 15.946 -13.972 -27.245 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.020 -13.467 -29.162 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.000 -14.650 -29.956 1.00 0.00 H new ATOM 0 HG2 GLU A 2 14.287 -12.829 -30.389 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.385 -11.663 -29.678 1.00 0.00 H new ATOM 34 N LEU A 3 14.370 -12.141 -26.678 1.00 0.00 N ATOM 35 CA LEU A 3 13.432 -11.029 -26.354 1.00 0.00 C ATOM 36 C LEU A 3 13.973 -9.719 -26.928 1.00 0.00 C ATOM 37 O LEU A 3 13.243 -8.771 -27.133 1.00 0.00 O ATOM 38 CB LEU A 3 13.294 -10.908 -24.834 1.00 0.00 C ATOM 39 CG LEU A 3 14.581 -10.334 -24.238 1.00 0.00 C ATOM 40 CD1 LEU A 3 14.254 -9.074 -23.433 1.00 0.00 C ATOM 41 CD2 LEU A 3 15.220 -11.370 -23.314 1.00 0.00 C ATOM 0 H LEU A 3 15.100 -12.308 -25.986 1.00 0.00 H new ATOM 0 HA LEU A 3 12.455 -11.236 -26.791 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.450 -10.264 -24.587 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.087 -11.886 -24.400 1.00 0.00 H new ATOM 0 HG LEU A 3 15.272 -10.084 -25.043 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.171 -8.665 -23.008 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.795 -8.333 -24.088 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.562 -9.325 -22.629 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.137 -10.962 -22.889 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.526 -11.618 -22.510 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.453 -12.270 -23.883 1.00 0.00 H new ATOM 53 N SER A 4 15.250 -9.657 -27.188 1.00 0.00 N ATOM 54 CA SER A 4 15.841 -8.407 -27.743 1.00 0.00 C ATOM 55 C SER A 4 15.182 -8.065 -29.083 1.00 0.00 C ATOM 56 O SER A 4 15.344 -6.979 -29.603 1.00 0.00 O ATOM 57 CB SER A 4 17.342 -8.606 -27.953 1.00 0.00 C ATOM 58 OG SER A 4 17.584 -8.972 -29.305 1.00 0.00 O ATOM 0 H SER A 4 15.911 -10.420 -27.040 1.00 0.00 H new ATOM 0 HA SER A 4 15.671 -7.590 -27.042 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.879 -7.689 -27.711 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.715 -9.380 -27.283 1.00 0.00 H new ATOM 0 HG SER A 4 18.546 -9.098 -29.442 1.00 0.00 H new ATOM 64 N LYS A 5 14.443 -8.978 -29.651 1.00 0.00 N ATOM 65 CA LYS A 5 13.786 -8.690 -30.956 1.00 0.00 C ATOM 66 C LYS A 5 12.274 -8.552 -30.757 1.00 0.00 C ATOM 67 O LYS A 5 11.658 -7.624 -31.240 1.00 0.00 O ATOM 68 CB LYS A 5 14.068 -9.835 -31.932 1.00 0.00 C ATOM 69 CG LYS A 5 13.861 -9.346 -33.366 1.00 0.00 C ATOM 70 CD LYS A 5 14.710 -10.188 -34.322 1.00 0.00 C ATOM 71 CE LYS A 5 14.374 -9.817 -35.766 1.00 0.00 C ATOM 72 NZ LYS A 5 14.999 -8.505 -36.099 1.00 0.00 N ATOM 0 H LYS A 5 14.266 -9.907 -29.269 1.00 0.00 H new ATOM 0 HA LYS A 5 14.182 -7.758 -31.360 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.089 -10.194 -31.803 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.406 -10.676 -31.724 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.808 -9.419 -33.638 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.138 -8.295 -33.446 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.769 -10.019 -34.129 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.521 -11.248 -34.155 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.738 -10.588 -36.445 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.293 -9.761 -35.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.828 -8.283 -37.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.582 -7.761 -35.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.023 -8.554 -35.925 1.00 0.00 H new ATOM 86 N LYS A 6 11.670 -9.472 -30.056 1.00 0.00 N ATOM 87 CA LYS A 6 10.197 -9.394 -29.837 1.00 0.00 C ATOM 88 C LYS A 6 9.896 -8.605 -28.559 1.00 0.00 C ATOM 89 O LYS A 6 8.839 -8.740 -27.975 1.00 0.00 O ATOM 90 CB LYS A 6 9.629 -10.808 -29.706 1.00 0.00 C ATOM 91 CG LYS A 6 10.307 -11.728 -30.723 1.00 0.00 C ATOM 92 CD LYS A 6 10.239 -11.090 -32.113 1.00 0.00 C ATOM 93 CE LYS A 6 10.897 -12.021 -33.134 1.00 0.00 C ATOM 94 NZ LYS A 6 10.650 -11.502 -34.510 1.00 0.00 N ATOM 0 H LYS A 6 12.132 -10.273 -29.626 1.00 0.00 H new ATOM 0 HA LYS A 6 9.736 -8.887 -30.685 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.791 -11.184 -28.696 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.552 -10.795 -29.873 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.346 -11.898 -30.440 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.816 -12.701 -30.733 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.201 -10.905 -32.390 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.744 -10.124 -32.107 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.969 -12.086 -32.945 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.494 -13.029 -33.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.097 -12.134 -35.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.626 -11.461 -34.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.055 -10.548 -34.599 1.00 0.00 H new ATOM 108 N VAL A 7 10.809 -7.782 -28.119 1.00 0.00 N ATOM 109 CA VAL A 7 10.556 -6.994 -26.877 1.00 0.00 C ATOM 110 C VAL A 7 11.209 -5.616 -26.995 1.00 0.00 C ATOM 111 O VAL A 7 10.541 -4.601 -26.984 1.00 0.00 O ATOM 112 CB VAL A 7 11.141 -7.734 -25.674 1.00 0.00 C ATOM 113 CG1 VAL A 7 10.621 -7.102 -24.382 1.00 0.00 C ATOM 114 CG2 VAL A 7 10.718 -9.203 -25.726 1.00 0.00 C ATOM 0 H VAL A 7 11.714 -7.621 -28.562 1.00 0.00 H new ATOM 0 HA VAL A 7 9.481 -6.872 -26.743 1.00 0.00 H new ATOM 0 HB VAL A 7 12.229 -7.665 -25.700 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.039 -7.630 -23.525 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.920 -6.054 -24.343 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.533 -7.170 -24.356 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.134 -9.732 -24.869 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.630 -9.270 -25.700 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.087 -9.656 -26.646 1.00 0.00 H new ATOM 124 N THR A 8 12.509 -5.568 -27.103 1.00 0.00 N ATOM 125 CA THR A 8 13.194 -4.250 -27.214 1.00 0.00 C ATOM 126 C THR A 8 12.839 -3.601 -28.553 1.00 0.00 C ATOM 127 O THR A 8 13.082 -2.430 -28.769 1.00 0.00 O ATOM 128 CB THR A 8 14.709 -4.445 -27.120 1.00 0.00 C ATOM 129 OG1 THR A 8 15.184 -5.044 -28.316 1.00 0.00 O ATOM 130 CG2 THR A 8 15.038 -5.345 -25.927 1.00 0.00 C ATOM 0 H THR A 8 13.124 -6.382 -27.119 1.00 0.00 H new ATOM 0 HA THR A 8 12.866 -3.603 -26.400 1.00 0.00 H new ATOM 0 HB THR A 8 15.192 -3.477 -26.984 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.544 -5.722 -28.619 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.117 -5.483 -25.862 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.675 -4.881 -25.010 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.556 -6.314 -26.058 1.00 0.00 H new ATOM 138 N GLY A 9 12.260 -4.347 -29.452 1.00 0.00 N ATOM 139 CA GLY A 9 11.885 -3.765 -30.770 1.00 0.00 C ATOM 140 C GLY A 9 10.658 -2.870 -30.591 1.00 0.00 C ATOM 141 O GLY A 9 10.371 -2.020 -31.409 1.00 0.00 O ATOM 0 H GLY A 9 12.031 -5.333 -29.331 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.716 -3.188 -31.176 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.670 -4.560 -31.484 1.00 0.00 H new ATOM 145 N LYS A 10 9.934 -3.058 -29.522 1.00 0.00 N ATOM 146 CA LYS A 10 8.724 -2.223 -29.278 1.00 0.00 C ATOM 147 C LYS A 10 8.002 -2.729 -28.028 1.00 0.00 C ATOM 148 O LYS A 10 6.832 -3.054 -28.064 1.00 0.00 O ATOM 149 CB LYS A 10 7.783 -2.321 -30.483 1.00 0.00 C ATOM 150 CG LYS A 10 7.103 -0.970 -30.711 1.00 0.00 C ATOM 151 CD LYS A 10 7.975 -0.106 -31.624 1.00 0.00 C ATOM 152 CE LYS A 10 7.237 1.192 -31.957 1.00 0.00 C ATOM 153 NZ LYS A 10 6.492 1.024 -33.237 1.00 0.00 N ATOM 0 H LYS A 10 10.129 -3.756 -28.805 1.00 0.00 H new ATOM 0 HA LYS A 10 9.022 -1.185 -29.133 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.342 -2.613 -31.372 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.033 -3.093 -30.310 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.121 -1.117 -31.161 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.945 -0.465 -29.758 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.923 0.118 -31.134 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.210 -0.648 -32.540 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.547 1.447 -31.153 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.946 2.015 -32.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.990 1.906 -33.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.161 0.799 -34.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.805 0.249 -33.140 1.00 0.00 H new ATOM 167 N LEU A 11 8.691 -2.804 -26.921 1.00 0.00 N ATOM 168 CA LEU A 11 8.044 -3.293 -25.671 1.00 0.00 C ATOM 169 C LEU A 11 6.661 -2.652 -25.529 1.00 0.00 C ATOM 170 O LEU A 11 5.654 -3.329 -25.487 1.00 0.00 O ATOM 171 CB LEU A 11 8.905 -2.916 -24.464 1.00 0.00 C ATOM 172 CG LEU A 11 10.041 -3.928 -24.313 1.00 0.00 C ATOM 173 CD1 LEU A 11 11.364 -3.266 -24.686 1.00 0.00 C ATOM 174 CD2 LEU A 11 10.111 -4.409 -22.863 1.00 0.00 C ATOM 0 H LEU A 11 9.674 -2.548 -26.829 1.00 0.00 H new ATOM 0 HA LEU A 11 7.942 -4.377 -25.718 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.312 -1.913 -24.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.296 -2.899 -23.560 1.00 0.00 H new ATOM 0 HG LEU A 11 9.856 -4.777 -24.971 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.175 -3.987 -24.579 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.320 -2.921 -25.719 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.544 -2.417 -24.027 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.921 -5.130 -22.758 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.294 -3.559 -22.206 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.167 -4.881 -22.590 1.00 0.00 H new ATOM 186 N ASP A 12 6.607 -1.350 -25.455 1.00 0.00 N ATOM 187 CA ASP A 12 5.291 -0.665 -25.316 1.00 0.00 C ATOM 188 C ASP A 12 5.440 0.809 -25.706 1.00 0.00 C ATOM 189 O ASP A 12 5.300 1.172 -26.857 1.00 0.00 O ATOM 190 CB ASP A 12 4.809 -0.764 -23.865 1.00 0.00 C ATOM 191 CG ASP A 12 6.014 -0.799 -22.923 1.00 0.00 C ATOM 192 OD1 ASP A 12 7.055 -0.291 -23.306 1.00 0.00 O ATOM 193 OD2 ASP A 12 5.875 -1.332 -21.834 1.00 0.00 O ATOM 0 H ASP A 12 7.417 -0.731 -25.485 1.00 0.00 H new ATOM 0 HA ASP A 12 4.563 -1.144 -25.971 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.172 0.087 -23.624 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.205 -1.662 -23.733 1.00 0.00 H new ATOM 198 N LYS A 13 5.722 1.660 -24.757 1.00 0.00 N ATOM 199 CA LYS A 13 5.880 3.106 -25.078 1.00 0.00 C ATOM 200 C LYS A 13 4.506 3.725 -25.334 1.00 0.00 C ATOM 201 O LYS A 13 3.744 3.253 -26.154 1.00 0.00 O ATOM 202 CB LYS A 13 6.751 3.260 -26.327 1.00 0.00 C ATOM 203 CG LYS A 13 7.894 4.233 -26.035 1.00 0.00 C ATOM 204 CD LYS A 13 9.064 3.945 -26.978 1.00 0.00 C ATOM 205 CE LYS A 13 9.763 2.655 -26.545 1.00 0.00 C ATOM 206 NZ LYS A 13 10.792 2.969 -25.513 1.00 0.00 N ATOM 0 H LYS A 13 5.850 1.416 -23.775 1.00 0.00 H new ATOM 0 HA LYS A 13 6.356 3.614 -24.239 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.151 2.291 -26.626 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.150 3.627 -27.159 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.553 5.260 -26.165 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.215 4.132 -24.998 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.704 3.850 -28.003 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.769 4.776 -26.964 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.034 1.951 -26.144 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.230 2.175 -27.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.267 2.092 -25.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.493 3.626 -25.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.334 3.408 -24.689 1.00 0.00 H new ATOM 220 N THR A 14 4.186 4.781 -24.639 1.00 0.00 N ATOM 221 CA THR A 14 2.864 5.435 -24.840 1.00 0.00 C ATOM 222 C THR A 14 1.761 4.379 -24.821 1.00 0.00 C ATOM 223 O THR A 14 0.967 4.278 -25.735 1.00 0.00 O ATOM 224 CB THR A 14 2.860 6.169 -26.180 1.00 0.00 C ATOM 225 OG1 THR A 14 3.325 5.296 -27.200 1.00 0.00 O ATOM 226 CG2 THR A 14 3.778 7.387 -26.085 1.00 0.00 C ATOM 0 H THR A 14 4.785 5.220 -23.939 1.00 0.00 H new ATOM 0 HA THR A 14 2.684 6.150 -24.038 1.00 0.00 H new ATOM 0 HB THR A 14 1.848 6.493 -26.421 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.005 4.387 -27.023 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.780 7.916 -27.038 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.418 8.053 -25.301 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.791 7.062 -25.848 1.00 0.00 H new ATOM 234 N THR A 15 1.705 3.593 -23.782 1.00 0.00 N ATOM 235 CA THR A 15 0.654 2.544 -23.696 1.00 0.00 C ATOM 236 C THR A 15 0.629 1.966 -22.276 1.00 0.00 C ATOM 237 O THR A 15 1.466 1.156 -21.927 1.00 0.00 O ATOM 238 CB THR A 15 0.967 1.425 -24.694 1.00 0.00 C ATOM 239 OG1 THR A 15 1.410 1.995 -25.918 1.00 0.00 O ATOM 240 CG2 THR A 15 -0.293 0.595 -24.942 1.00 0.00 C ATOM 0 H THR A 15 2.344 3.633 -22.988 1.00 0.00 H new ATOM 0 HA THR A 15 -0.317 2.980 -23.931 1.00 0.00 H new ATOM 0 HB THR A 15 1.749 0.783 -24.288 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.866 2.783 -26.128 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.070 -0.201 -25.652 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.632 0.159 -24.002 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.076 1.235 -25.348 1.00 0.00 H new ATOM 248 N PRO A 16 -0.331 2.399 -21.497 1.00 0.00 N ATOM 249 CA PRO A 16 -0.488 1.938 -20.105 1.00 0.00 C ATOM 250 C PRO A 16 -1.112 0.540 -20.072 1.00 0.00 C ATOM 251 O PRO A 16 -2.275 0.361 -20.371 1.00 0.00 O ATOM 252 CB PRO A 16 -1.429 2.976 -19.486 1.00 0.00 C ATOM 253 CG PRO A 16 -2.195 3.626 -20.663 1.00 0.00 C ATOM 254 CD PRO A 16 -1.347 3.382 -21.926 1.00 0.00 C ATOM 0 HA PRO A 16 0.458 1.858 -19.569 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.119 2.506 -18.785 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.868 3.725 -18.927 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.186 3.186 -20.771 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.337 4.693 -20.491 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.954 2.996 -22.745 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.885 4.304 -22.279 1.00 0.00 H new ATOM 262 N GLY A 17 -0.344 -0.451 -19.708 1.00 0.00 N ATOM 263 CA GLY A 17 -0.888 -1.837 -19.655 1.00 0.00 C ATOM 264 C GLY A 17 0.221 -2.799 -19.229 1.00 0.00 C ATOM 265 O GLY A 17 1.062 -2.468 -18.417 1.00 0.00 O ATOM 0 H GLY A 17 0.637 -0.360 -19.445 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.719 -1.887 -18.951 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.279 -2.124 -20.631 1.00 0.00 H new ATOM 269 N ILE A 18 0.234 -3.986 -19.770 1.00 0.00 N ATOM 270 CA ILE A 18 1.296 -4.959 -19.389 1.00 0.00 C ATOM 271 C ILE A 18 1.461 -6.005 -20.492 1.00 0.00 C ATOM 272 O ILE A 18 0.501 -6.472 -21.070 1.00 0.00 O ATOM 273 CB ILE A 18 0.910 -5.666 -18.088 1.00 0.00 C ATOM 274 CG1 ILE A 18 -0.218 -6.661 -18.368 1.00 0.00 C ATOM 275 CG2 ILE A 18 0.439 -4.638 -17.060 1.00 0.00 C ATOM 276 CD1 ILE A 18 -0.603 -7.373 -17.073 1.00 0.00 C ATOM 0 H ILE A 18 -0.441 -4.323 -20.456 1.00 0.00 H new ATOM 0 HA ILE A 18 2.233 -4.420 -19.250 1.00 0.00 H new ATOM 0 HB ILE A 18 1.777 -6.196 -17.694 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.082 -6.140 -18.780 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.101 -7.388 -19.114 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.165 -5.147 -16.136 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.242 -3.929 -16.860 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.427 -4.104 -17.450 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.407 -8.082 -17.273 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.262 -7.907 -16.680 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.940 -6.639 -16.341 1.00 0.00 H new ATOM 288 N GLN A 19 2.673 -6.388 -20.770 1.00 0.00 N ATOM 289 CA GLN A 19 2.910 -7.420 -21.815 1.00 0.00 C ATOM 290 C GLN A 19 3.661 -8.590 -21.179 1.00 0.00 C ATOM 291 O GLN A 19 4.820 -8.477 -20.834 1.00 0.00 O ATOM 292 CB GLN A 19 3.748 -6.821 -22.946 1.00 0.00 C ATOM 293 CG GLN A 19 3.920 -7.855 -24.061 1.00 0.00 C ATOM 294 CD GLN A 19 5.274 -7.653 -24.745 1.00 0.00 C ATOM 295 OE1 GLN A 19 5.895 -6.510 -24.620 1.00 0.00 O flip ATOM 296 NE2 GLN A 19 5.775 -8.545 -25.400 1.00 0.00 N flip ATOM 0 H GLN A 19 3.514 -6.030 -20.317 1.00 0.00 H new ATOM 0 HA GLN A 19 1.961 -7.765 -22.224 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.263 -5.927 -23.337 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.723 -6.515 -22.567 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.856 -8.862 -23.649 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.115 -7.756 -24.789 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.292 -9.438 -25.499 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.678 -8.401 -25.851 1.00 0.00 H new ATOM 305 N ILE A 20 3.012 -9.709 -21.008 1.00 0.00 N ATOM 306 CA ILE A 20 3.703 -10.870 -20.375 1.00 0.00 C ATOM 307 C ILE A 20 4.474 -11.649 -21.429 1.00 0.00 C ATOM 308 O ILE A 20 4.272 -11.471 -22.600 1.00 0.00 O ATOM 309 CB ILE A 20 2.675 -11.807 -19.737 1.00 0.00 C ATOM 310 CG1 ILE A 20 1.754 -11.016 -18.813 1.00 0.00 C ATOM 311 CG2 ILE A 20 3.396 -12.886 -18.927 1.00 0.00 C ATOM 312 CD1 ILE A 20 0.731 -11.971 -18.202 1.00 0.00 C ATOM 0 H ILE A 20 2.041 -9.870 -21.276 1.00 0.00 H new ATOM 0 HA ILE A 20 4.386 -10.493 -19.613 1.00 0.00 H new ATOM 0 HB ILE A 20 2.083 -12.274 -20.525 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.334 -10.531 -18.028 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.248 -10.227 -19.370 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.662 -13.552 -18.474 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.049 -13.460 -19.585 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.992 -12.416 -18.144 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.067 -11.417 -17.539 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.147 -12.435 -18.996 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.249 -12.744 -17.634 1.00 0.00 H new ATOM 324 N TRP A 21 5.340 -12.528 -21.021 1.00 0.00 N ATOM 325 CA TRP A 21 6.095 -13.343 -22.012 1.00 0.00 C ATOM 326 C TRP A 21 5.990 -14.809 -21.604 1.00 0.00 C ATOM 327 O TRP A 21 6.350 -15.182 -20.505 1.00 0.00 O ATOM 328 CB TRP A 21 7.559 -12.927 -22.033 1.00 0.00 C ATOM 329 CG TRP A 21 7.734 -11.781 -22.970 1.00 0.00 C ATOM 330 CD1 TRP A 21 7.996 -11.879 -24.296 1.00 0.00 C ATOM 331 CD2 TRP A 21 7.657 -10.364 -22.670 1.00 0.00 C ATOM 332 NE1 TRP A 21 8.094 -10.601 -24.824 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.891 -9.632 -23.856 1.00 0.00 C ATOM 334 CE3 TRP A 21 7.411 -9.653 -21.486 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.881 -8.234 -23.863 1.00 0.00 C ATOM 336 CZ3 TRP A 21 7.399 -8.251 -21.489 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.635 -7.543 -22.674 1.00 0.00 C ATOM 0 H TRP A 21 5.560 -12.719 -20.043 1.00 0.00 H new ATOM 0 HA TRP A 21 5.677 -13.191 -23.007 1.00 0.00 H new ATOM 0 HB2 TRP A 21 7.883 -12.645 -21.031 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.182 -13.765 -22.345 1.00 0.00 H new ATOM 0 HD1 TRP A 21 8.110 -12.800 -24.849 1.00 0.00 H new ATOM 0 HE1 TRP A 21 8.291 -10.399 -25.804 1.00 0.00 H new ATOM 0 HE3 TRP A 21 7.230 -10.189 -20.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.062 -7.693 -24.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.207 -7.714 -20.572 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.627 -6.463 -22.669 1.00 0.00 H new ATOM 348 N ARG A 22 5.478 -15.641 -22.465 1.00 0.00 N ATOM 349 CA ARG A 22 5.330 -17.077 -22.098 1.00 0.00 C ATOM 350 C ARG A 22 6.662 -17.814 -22.233 1.00 0.00 C ATOM 351 O ARG A 22 7.350 -17.717 -23.230 1.00 0.00 O ATOM 352 CB ARG A 22 4.299 -17.743 -23.014 1.00 0.00 C ATOM 353 CG ARG A 22 3.081 -16.833 -23.168 1.00 0.00 C ATOM 354 CD ARG A 22 1.899 -17.648 -23.699 1.00 0.00 C ATOM 355 NE ARG A 22 1.769 -17.430 -25.168 1.00 0.00 N ATOM 356 CZ ARG A 22 1.653 -18.451 -25.971 1.00 0.00 C ATOM 357 NH1 ARG A 22 2.630 -19.308 -26.083 1.00 0.00 N ATOM 358 NH2 ARG A 22 0.557 -18.615 -26.663 1.00 0.00 N ATOM 0 H ARG A 22 5.157 -15.393 -23.401 1.00 0.00 H new ATOM 0 HA ARG A 22 4.999 -17.129 -21.061 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.741 -17.943 -23.990 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.996 -18.704 -22.598 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.825 -16.384 -22.208 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.309 -16.015 -23.852 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.049 -18.707 -23.489 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.981 -17.350 -23.193 1.00 0.00 H new ATOM 0 HE ARG A 22 1.771 -16.482 -25.545 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.485 -19.180 -25.542 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.539 -20.106 -26.711 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.207 -17.945 -26.575 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.465 -19.413 -27.291 1.00 0.00 H new ATOM 372 N ILE A 23 7.006 -18.572 -21.231 1.00 0.00 N ATOM 373 CA ILE A 23 8.266 -19.360 -21.263 1.00 0.00 C ATOM 374 C ILE A 23 7.873 -20.848 -21.210 1.00 0.00 C ATOM 375 O ILE A 23 8.631 -21.714 -20.823 1.00 0.00 O ATOM 376 CB ILE A 23 9.136 -18.929 -20.062 1.00 0.00 C ATOM 377 CG1 ILE A 23 10.129 -17.862 -20.530 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.917 -20.108 -19.473 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.846 -16.545 -19.807 1.00 0.00 C ATOM 0 H ILE A 23 6.458 -18.680 -20.378 1.00 0.00 H new ATOM 0 HA ILE A 23 8.851 -19.190 -22.167 1.00 0.00 H new ATOM 0 HB ILE A 23 8.476 -18.539 -19.287 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.150 -18.187 -20.328 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.046 -17.722 -21.608 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.516 -19.763 -18.631 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.219 -20.873 -19.133 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.572 -20.528 -20.236 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.554 -15.787 -20.142 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.831 -16.218 -20.031 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.951 -16.690 -18.732 1.00 0.00 H new ATOM 391 N GLU A 24 6.665 -21.134 -21.615 1.00 0.00 N ATOM 392 CA GLU A 24 6.164 -22.537 -21.610 1.00 0.00 C ATOM 393 C GLU A 24 7.111 -23.438 -22.401 1.00 0.00 C ATOM 394 O GLU A 24 8.023 -22.977 -23.056 1.00 0.00 O ATOM 395 CB GLU A 24 4.769 -22.582 -22.241 1.00 0.00 C ATOM 396 CG GLU A 24 4.880 -22.433 -23.760 1.00 0.00 C ATOM 397 CD GLU A 24 5.661 -21.161 -24.096 1.00 0.00 C ATOM 398 OE1 GLU A 24 6.879 -21.218 -24.091 1.00 0.00 O ATOM 399 OE2 GLU A 24 5.026 -20.151 -24.353 1.00 0.00 O ATOM 0 H GLU A 24 5.995 -20.444 -21.954 1.00 0.00 H new ATOM 0 HA GLU A 24 6.114 -22.893 -20.581 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.279 -23.524 -21.994 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.150 -21.783 -21.833 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.381 -23.302 -24.185 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.886 -22.389 -24.205 1.00 0.00 H new ATOM 406 N ASN A 25 6.897 -24.725 -22.333 1.00 0.00 N ATOM 407 CA ASN A 25 7.781 -25.674 -23.065 1.00 0.00 C ATOM 408 C ASN A 25 9.238 -25.226 -22.908 1.00 0.00 C ATOM 409 O ASN A 25 10.081 -25.506 -23.735 1.00 0.00 O ATOM 410 CB ASN A 25 7.367 -25.728 -24.549 1.00 0.00 C ATOM 411 CG ASN A 25 8.210 -24.767 -25.394 1.00 0.00 C ATOM 412 OD1 ASN A 25 9.206 -25.161 -25.966 1.00 0.00 O ATOM 413 ND2 ASN A 25 7.847 -23.518 -25.501 1.00 0.00 N ATOM 0 H ASN A 25 6.144 -25.160 -21.799 1.00 0.00 H new ATOM 0 HA ASN A 25 7.682 -26.678 -22.651 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.483 -26.745 -24.925 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.312 -25.471 -24.645 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.400 -22.873 -26.065 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.010 -23.187 -25.020 1.00 0.00 H new ATOM 420 N MET A 26 9.536 -24.540 -21.835 1.00 0.00 N ATOM 421 CA MET A 26 10.932 -24.080 -21.600 1.00 0.00 C ATOM 422 C MET A 26 11.394 -23.180 -22.749 1.00 0.00 C ATOM 423 O MET A 26 12.397 -23.441 -23.383 1.00 0.00 O ATOM 424 CB MET A 26 11.858 -25.299 -21.506 1.00 0.00 C ATOM 425 CG MET A 26 11.067 -26.517 -21.015 1.00 0.00 C ATOM 426 SD MET A 26 12.080 -27.463 -19.856 1.00 0.00 S ATOM 427 CE MET A 26 12.324 -26.137 -18.650 1.00 0.00 C ATOM 0 H MET A 26 8.868 -24.279 -21.110 1.00 0.00 H new ATOM 0 HA MET A 26 10.967 -23.513 -20.670 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.298 -25.509 -22.481 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.681 -25.090 -20.823 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.145 -26.195 -20.530 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.781 -27.143 -21.860 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.313 -26.554 -17.643 1.00 0.00 H new ATOM 0 HE2 MET A 26 13.283 -25.652 -18.831 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.523 -25.404 -18.748 1.00 0.00 H new ATOM 437 N GLU A 27 10.683 -22.116 -23.023 1.00 0.00 N ATOM 438 CA GLU A 27 11.110 -21.212 -24.131 1.00 0.00 C ATOM 439 C GLU A 27 10.743 -19.765 -23.786 1.00 0.00 C ATOM 440 O GLU A 27 10.811 -19.356 -22.644 1.00 0.00 O ATOM 441 CB GLU A 27 10.413 -21.630 -25.427 1.00 0.00 C ATOM 442 CG GLU A 27 10.712 -23.101 -25.716 1.00 0.00 C ATOM 443 CD GLU A 27 12.214 -23.280 -25.944 1.00 0.00 C ATOM 444 OE1 GLU A 27 12.860 -22.308 -26.301 1.00 0.00 O ATOM 445 OE2 GLU A 27 12.694 -24.387 -25.757 1.00 0.00 O ATOM 0 H GLU A 27 9.834 -21.837 -22.532 1.00 0.00 H new ATOM 0 HA GLU A 27 12.190 -21.284 -24.263 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.337 -21.477 -25.339 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.757 -21.009 -26.254 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.383 -23.721 -24.882 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.158 -23.430 -26.595 1.00 0.00 H new ATOM 452 N MET A 28 10.358 -18.986 -24.762 1.00 0.00 N ATOM 453 CA MET A 28 9.987 -17.569 -24.490 1.00 0.00 C ATOM 454 C MET A 28 9.048 -17.080 -25.592 1.00 0.00 C ATOM 455 O MET A 28 9.152 -17.485 -26.733 1.00 0.00 O ATOM 456 CB MET A 28 11.249 -16.704 -24.468 1.00 0.00 C ATOM 457 CG MET A 28 11.548 -16.279 -23.030 1.00 0.00 C ATOM 458 SD MET A 28 10.229 -15.192 -22.436 1.00 0.00 S ATOM 459 CE MET A 28 11.268 -14.100 -21.434 1.00 0.00 C ATOM 0 H MET A 28 10.285 -19.272 -25.738 1.00 0.00 H new ATOM 0 HA MET A 28 9.488 -17.497 -23.524 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.092 -17.261 -24.877 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.112 -15.825 -25.098 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.627 -17.157 -22.389 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.507 -15.763 -22.984 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.684 -13.702 -20.604 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.116 -14.662 -21.044 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.631 -13.277 -22.050 1.00 0.00 H new ATOM 469 N VAL A 29 8.123 -16.221 -25.264 1.00 0.00 N ATOM 470 CA VAL A 29 7.176 -15.725 -26.301 1.00 0.00 C ATOM 471 C VAL A 29 6.535 -14.417 -25.828 1.00 0.00 C ATOM 472 O VAL A 29 6.349 -14.214 -24.650 1.00 0.00 O ATOM 473 CB VAL A 29 6.112 -16.812 -26.548 1.00 0.00 C ATOM 474 CG1 VAL A 29 4.707 -16.211 -26.709 1.00 0.00 C ATOM 475 CG2 VAL A 29 6.482 -17.568 -27.819 1.00 0.00 C ATOM 0 H VAL A 29 7.982 -15.843 -24.327 1.00 0.00 H new ATOM 0 HA VAL A 29 7.699 -15.521 -27.235 1.00 0.00 H new ATOM 0 HB VAL A 29 6.091 -17.478 -25.685 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.987 -17.011 -26.881 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.437 -15.669 -25.803 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.699 -15.527 -27.557 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.740 -18.343 -28.011 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.509 -16.875 -28.660 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.463 -18.028 -27.696 1.00 0.00 H new ATOM 485 N PRO A 30 6.221 -13.568 -26.772 1.00 0.00 N ATOM 486 CA PRO A 30 5.598 -12.266 -26.490 1.00 0.00 C ATOM 487 C PRO A 30 4.096 -12.419 -26.209 1.00 0.00 C ATOM 488 O PRO A 30 3.351 -12.960 -27.001 1.00 0.00 O ATOM 489 CB PRO A 30 5.833 -11.468 -27.774 1.00 0.00 C ATOM 490 CG PRO A 30 6.057 -12.507 -28.899 1.00 0.00 C ATOM 491 CD PRO A 30 6.469 -13.821 -28.208 1.00 0.00 C ATOM 0 HA PRO A 30 6.016 -11.783 -25.606 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.977 -10.832 -27.998 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.699 -10.814 -27.672 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.148 -12.646 -29.485 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.832 -12.172 -29.588 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.881 -14.664 -28.571 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.516 -14.059 -28.396 1.00 0.00 H new ATOM 499 N VAL A 31 3.661 -11.926 -25.084 1.00 0.00 N ATOM 500 CA VAL A 31 2.214 -12.004 -24.718 1.00 0.00 C ATOM 501 C VAL A 31 1.634 -10.586 -24.664 1.00 0.00 C ATOM 502 O VAL A 31 1.730 -9.920 -23.648 1.00 0.00 O ATOM 503 CB VAL A 31 2.049 -12.647 -23.337 1.00 0.00 C ATOM 504 CG1 VAL A 31 0.612 -13.135 -23.170 1.00 0.00 C ATOM 505 CG2 VAL A 31 2.996 -13.835 -23.193 1.00 0.00 C ATOM 0 H VAL A 31 4.252 -11.466 -24.392 1.00 0.00 H new ATOM 0 HA VAL A 31 1.694 -12.605 -25.464 1.00 0.00 H new ATOM 0 HB VAL A 31 2.282 -11.905 -22.574 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.495 -13.592 -22.188 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.072 -12.291 -23.261 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.385 -13.870 -23.942 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.870 -14.284 -22.208 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.770 -14.575 -23.961 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.025 -13.496 -23.308 1.00 0.00 H new ATOM 515 N PRO A 32 1.052 -10.167 -25.759 1.00 0.00 N ATOM 516 CA PRO A 32 0.447 -8.829 -25.874 1.00 0.00 C ATOM 517 C PRO A 32 -0.903 -8.779 -25.150 1.00 0.00 C ATOM 518 O PRO A 32 -1.183 -9.583 -24.284 1.00 0.00 O ATOM 519 CB PRO A 32 0.270 -8.642 -27.384 1.00 0.00 C ATOM 520 CG PRO A 32 0.250 -10.062 -27.999 1.00 0.00 C ATOM 521 CD PRO A 32 0.941 -10.989 -26.983 1.00 0.00 C ATOM 0 HA PRO A 32 1.055 -8.046 -25.422 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.656 -8.110 -27.604 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.085 -8.050 -27.800 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.773 -10.388 -28.188 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.772 -10.078 -28.956 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.356 -11.891 -26.805 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.921 -11.309 -27.338 1.00 0.00 H new ATOM 529 N THR A 33 -1.735 -7.835 -25.495 1.00 0.00 N ATOM 530 CA THR A 33 -3.063 -7.724 -24.824 1.00 0.00 C ATOM 531 C THR A 33 -4.016 -8.793 -25.344 1.00 0.00 C ATOM 532 O THR A 33 -4.853 -9.294 -24.619 1.00 0.00 O ATOM 533 CB THR A 33 -3.668 -6.351 -25.106 1.00 0.00 C ATOM 534 OG1 THR A 33 -3.026 -5.768 -26.230 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.495 -5.460 -23.883 1.00 0.00 C ATOM 0 H THR A 33 -1.553 -7.134 -26.214 1.00 0.00 H new ATOM 0 HA THR A 33 -2.918 -7.859 -23.752 1.00 0.00 H new ATOM 0 HB THR A 33 -4.731 -6.457 -25.323 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.417 -4.888 -26.410 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.927 -4.479 -24.083 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.001 -5.912 -23.029 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.434 -5.351 -23.660 1.00 0.00 H new ATOM 543 N LYS A 34 -3.919 -9.136 -26.593 1.00 0.00 N ATOM 544 CA LYS A 34 -4.848 -10.157 -27.139 1.00 0.00 C ATOM 545 C LYS A 34 -4.267 -11.557 -26.928 1.00 0.00 C ATOM 546 O LYS A 34 -4.471 -12.450 -27.728 1.00 0.00 O ATOM 547 CB LYS A 34 -5.061 -9.910 -28.634 1.00 0.00 C ATOM 548 CG LYS A 34 -3.785 -10.264 -29.399 1.00 0.00 C ATOM 549 CD LYS A 34 -4.087 -11.367 -30.416 1.00 0.00 C ATOM 550 CE LYS A 34 -5.296 -10.964 -31.261 1.00 0.00 C ATOM 551 NZ LYS A 34 -6.447 -11.855 -30.939 1.00 0.00 N ATOM 0 H LYS A 34 -3.242 -8.757 -27.256 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.803 -10.085 -26.619 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.894 -10.512 -28.997 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.323 -8.866 -28.807 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.397 -9.382 -29.908 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.013 -10.596 -28.705 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.221 -11.533 -31.057 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.287 -12.307 -29.901 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.561 -9.925 -31.064 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.052 -11.036 -32.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.531 -12.591 -31.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.291 -12.302 -30.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.322 -11.294 -30.910 1.00 0.00 H new ATOM 565 N SER A 35 -3.544 -11.761 -25.860 1.00 0.00 N ATOM 566 CA SER A 35 -2.956 -13.106 -25.606 1.00 0.00 C ATOM 567 C SER A 35 -3.066 -13.446 -24.117 1.00 0.00 C ATOM 568 O SER A 35 -3.306 -14.578 -23.747 1.00 0.00 O ATOM 569 CB SER A 35 -1.485 -13.104 -26.020 1.00 0.00 C ATOM 570 OG SER A 35 -1.394 -12.913 -27.425 1.00 0.00 O ATOM 0 H SER A 35 -3.336 -11.055 -25.154 1.00 0.00 H new ATOM 0 HA SER A 35 -3.499 -13.852 -26.187 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.949 -12.311 -25.498 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.014 -14.046 -25.738 1.00 0.00 H new ATOM 0 HG SER A 35 -0.628 -13.414 -27.774 1.00 0.00 H new ATOM 576 N TYR A 36 -2.888 -12.478 -23.259 1.00 0.00 N ATOM 577 CA TYR A 36 -2.979 -12.756 -21.797 1.00 0.00 C ATOM 578 C TYR A 36 -4.335 -13.393 -21.479 1.00 0.00 C ATOM 579 O TYR A 36 -5.200 -13.492 -22.326 1.00 0.00 O ATOM 580 CB TYR A 36 -2.828 -11.448 -21.015 1.00 0.00 C ATOM 581 CG TYR A 36 -4.084 -10.619 -21.153 1.00 0.00 C ATOM 582 CD1 TYR A 36 -5.228 -10.952 -20.416 1.00 0.00 C ATOM 583 CD2 TYR A 36 -4.104 -9.517 -22.015 1.00 0.00 C ATOM 584 CE1 TYR A 36 -6.391 -10.182 -20.544 1.00 0.00 C ATOM 585 CE2 TYR A 36 -5.266 -8.747 -22.141 1.00 0.00 C ATOM 586 CZ TYR A 36 -6.409 -9.079 -21.406 1.00 0.00 C ATOM 587 OH TYR A 36 -7.555 -8.320 -21.530 1.00 0.00 O ATOM 0 H TYR A 36 -2.684 -11.510 -23.506 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.182 -13.442 -21.509 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.637 -11.663 -19.964 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.970 -10.889 -21.387 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.213 -11.802 -19.750 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.222 -9.260 -22.583 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.274 -10.439 -19.978 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.280 -7.896 -22.806 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.398 -7.592 -22.167 1.00 0.00 H new ATOM 597 N GLY A 37 -4.524 -13.825 -20.263 1.00 0.00 N ATOM 598 CA GLY A 37 -5.820 -14.457 -19.888 1.00 0.00 C ATOM 599 C GLY A 37 -5.582 -15.916 -19.496 1.00 0.00 C ATOM 600 O GLY A 37 -5.251 -16.220 -18.368 1.00 0.00 O ATOM 0 H GLY A 37 -3.836 -13.768 -19.512 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.274 -13.916 -19.058 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.518 -14.403 -20.723 1.00 0.00 H new ATOM 604 N ASN A 38 -5.747 -16.820 -20.422 1.00 0.00 N ATOM 605 CA ASN A 38 -5.527 -18.260 -20.105 1.00 0.00 C ATOM 606 C ASN A 38 -4.069 -18.625 -20.385 1.00 0.00 C ATOM 607 O ASN A 38 -3.627 -18.623 -21.517 1.00 0.00 O ATOM 608 CB ASN A 38 -6.443 -19.118 -20.982 1.00 0.00 C ATOM 609 CG ASN A 38 -7.849 -18.515 -20.996 1.00 0.00 C ATOM 610 OD1 ASN A 38 -8.088 -17.488 -20.390 1.00 0.00 O ATOM 611 ND2 ASN A 38 -8.795 -19.112 -21.667 1.00 0.00 N ATOM 0 H ASN A 38 -6.024 -16.624 -21.384 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.753 -18.441 -19.054 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.048 -19.170 -21.997 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.477 -20.139 -20.601 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.735 -18.717 -21.684 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.594 -19.973 -22.175 1.00 0.00 H new ATOM 618 N PHE A 39 -3.314 -18.938 -19.367 1.00 0.00 N ATOM 619 CA PHE A 39 -1.886 -19.299 -19.592 1.00 0.00 C ATOM 620 C PHE A 39 -1.486 -20.455 -18.668 1.00 0.00 C ATOM 621 O PHE A 39 -1.924 -20.545 -17.540 1.00 0.00 O ATOM 622 CB PHE A 39 -0.991 -18.086 -19.318 1.00 0.00 C ATOM 623 CG PHE A 39 -1.646 -17.161 -18.316 1.00 0.00 C ATOM 624 CD1 PHE A 39 -1.926 -17.612 -17.021 1.00 0.00 C ATOM 625 CD2 PHE A 39 -1.962 -15.847 -18.684 1.00 0.00 C ATOM 626 CE1 PHE A 39 -2.524 -16.749 -16.093 1.00 0.00 C ATOM 627 CE2 PHE A 39 -2.559 -14.984 -17.756 1.00 0.00 C ATOM 628 CZ PHE A 39 -2.841 -15.436 -16.461 1.00 0.00 C ATOM 0 H PHE A 39 -3.622 -18.959 -18.395 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.760 -19.610 -20.629 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.025 -18.418 -18.938 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.801 -17.549 -20.247 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.681 -18.625 -16.737 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.745 -15.499 -19.683 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.740 -17.097 -15.094 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.802 -13.970 -18.039 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.303 -14.772 -15.746 1.00 0.00 H new ATOM 638 N TYR A 40 -0.657 -21.346 -19.148 1.00 0.00 N ATOM 639 CA TYR A 40 -0.226 -22.508 -18.314 1.00 0.00 C ATOM 640 C TYR A 40 0.074 -22.057 -16.887 1.00 0.00 C ATOM 641 O TYR A 40 0.569 -20.974 -16.655 1.00 0.00 O ATOM 642 CB TYR A 40 1.033 -23.127 -18.923 1.00 0.00 C ATOM 643 CG TYR A 40 0.744 -23.535 -20.347 1.00 0.00 C ATOM 644 CD1 TYR A 40 -0.542 -23.953 -20.701 1.00 0.00 C ATOM 645 CD2 TYR A 40 1.755 -23.494 -21.312 1.00 0.00 C ATOM 646 CE1 TYR A 40 -0.821 -24.331 -22.018 1.00 0.00 C ATOM 647 CE2 TYR A 40 1.478 -23.872 -22.631 1.00 0.00 C ATOM 648 CZ TYR A 40 0.190 -24.291 -22.985 1.00 0.00 C ATOM 649 OH TYR A 40 -0.083 -24.664 -24.285 1.00 0.00 O ATOM 0 H TYR A 40 -0.258 -21.318 -20.086 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.030 -23.243 -18.290 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.855 -22.411 -18.896 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.346 -23.993 -18.340 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.322 -23.984 -19.955 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.749 -23.171 -21.040 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.816 -24.653 -22.289 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.259 -23.840 -23.376 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.021 -24.469 -24.491 1.00 0.00 H new ATOM 659 N GLU A 41 -0.224 -22.886 -15.925 1.00 0.00 N ATOM 660 CA GLU A 41 0.043 -22.510 -14.513 1.00 0.00 C ATOM 661 C GLU A 41 1.442 -22.980 -14.112 1.00 0.00 C ATOM 662 O GLU A 41 2.210 -22.251 -13.520 1.00 0.00 O ATOM 663 CB GLU A 41 -1.035 -23.140 -13.604 1.00 0.00 C ATOM 664 CG GLU A 41 -0.511 -24.413 -12.923 1.00 0.00 C ATOM 665 CD GLU A 41 -1.592 -24.978 -11.999 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.757 -24.721 -12.255 1.00 0.00 O ATOM 667 OE2 GLU A 41 -1.236 -25.659 -11.052 1.00 0.00 O ATOM 0 H GLU A 41 -0.641 -23.807 -16.058 1.00 0.00 H new ATOM 0 HA GLU A 41 0.002 -21.427 -14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.342 -22.419 -12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.919 -23.378 -14.195 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.236 -25.153 -13.674 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.390 -24.188 -12.352 1.00 0.00 H new ATOM 674 N GLY A 42 1.773 -24.196 -14.425 1.00 0.00 N ATOM 675 CA GLY A 42 3.115 -24.708 -14.058 1.00 0.00 C ATOM 676 C GLY A 42 4.140 -24.245 -15.090 1.00 0.00 C ATOM 677 O GLY A 42 4.622 -25.020 -15.891 1.00 0.00 O ATOM 0 H GLY A 42 1.173 -24.857 -14.919 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.394 -24.349 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.099 -25.797 -14.010 1.00 0.00 H new ATOM 681 N ASP A 43 4.480 -22.985 -15.081 1.00 0.00 N ATOM 682 CA ASP A 43 5.481 -22.478 -16.069 1.00 0.00 C ATOM 683 C ASP A 43 6.058 -21.139 -15.586 1.00 0.00 C ATOM 684 O ASP A 43 6.235 -20.917 -14.407 1.00 0.00 O ATOM 685 CB ASP A 43 4.811 -22.273 -17.437 1.00 0.00 C ATOM 686 CG ASP A 43 3.715 -23.316 -17.655 1.00 0.00 C ATOM 687 OD1 ASP A 43 2.707 -23.236 -16.971 1.00 0.00 O ATOM 688 OD2 ASP A 43 3.900 -24.175 -18.501 1.00 0.00 O ATOM 0 H ASP A 43 4.111 -22.286 -14.436 1.00 0.00 H new ATOM 0 HA ASP A 43 6.283 -23.210 -16.163 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.385 -21.271 -17.494 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.556 -22.348 -18.229 1.00 0.00 H new ATOM 693 N CYS A 44 6.349 -20.245 -16.499 1.00 0.00 N ATOM 694 CA CYS A 44 6.909 -18.918 -16.113 1.00 0.00 C ATOM 695 C CYS A 44 6.245 -17.834 -16.968 1.00 0.00 C ATOM 696 O CYS A 44 5.652 -18.121 -17.990 1.00 0.00 O ATOM 697 CB CYS A 44 8.420 -18.920 -16.358 1.00 0.00 C ATOM 698 SG CYS A 44 9.248 -19.774 -14.994 1.00 0.00 S ATOM 0 H CYS A 44 6.221 -20.381 -17.502 1.00 0.00 H new ATOM 0 HA CYS A 44 6.717 -18.720 -15.059 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.646 -19.415 -17.302 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.788 -17.897 -16.438 1.00 0.00 H new ATOM 0 HG CYS A 44 10.167 -20.561 -15.469 1.00 0.00 H new ATOM 704 N TYR A 45 6.320 -16.596 -16.561 1.00 0.00 N ATOM 705 CA TYR A 45 5.668 -15.517 -17.361 1.00 0.00 C ATOM 706 C TYR A 45 6.268 -14.153 -17.005 1.00 0.00 C ATOM 707 O TYR A 45 5.970 -13.593 -15.972 1.00 0.00 O ATOM 708 CB TYR A 45 4.176 -15.494 -17.036 1.00 0.00 C ATOM 709 CG TYR A 45 3.489 -16.604 -17.784 1.00 0.00 C ATOM 710 CD1 TYR A 45 3.759 -16.796 -19.139 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.596 -17.446 -17.120 1.00 0.00 C ATOM 712 CE1 TYR A 45 3.133 -17.835 -19.836 1.00 0.00 C ATOM 713 CE2 TYR A 45 1.967 -18.482 -17.813 1.00 0.00 C ATOM 714 CZ TYR A 45 2.237 -18.679 -19.173 1.00 0.00 C ATOM 715 OH TYR A 45 1.618 -19.705 -19.858 1.00 0.00 O ATOM 0 H TYR A 45 6.800 -16.285 -15.716 1.00 0.00 H new ATOM 0 HA TYR A 45 5.829 -15.714 -18.421 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.024 -15.614 -15.963 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.746 -14.532 -17.314 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.451 -16.143 -19.650 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.391 -17.296 -16.070 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.342 -17.985 -20.885 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.273 -19.131 -17.301 1.00 0.00 H new ATOM 0 HH TYR A 45 2.234 -20.463 -19.939 1.00 0.00 H new ATOM 725 N VAL A 46 7.086 -13.599 -17.855 1.00 0.00 N ATOM 726 CA VAL A 46 7.670 -12.260 -17.545 1.00 0.00 C ATOM 727 C VAL A 46 6.618 -11.193 -17.853 1.00 0.00 C ATOM 728 O VAL A 46 6.213 -11.030 -18.980 1.00 0.00 O ATOM 729 CB VAL A 46 8.910 -12.024 -18.408 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.530 -10.672 -18.053 1.00 0.00 C ATOM 731 CG2 VAL A 46 9.929 -13.135 -18.148 1.00 0.00 C ATOM 0 H VAL A 46 7.375 -14.009 -18.743 1.00 0.00 H new ATOM 0 HA VAL A 46 7.959 -12.212 -16.495 1.00 0.00 H new ATOM 0 HB VAL A 46 8.626 -12.028 -19.460 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.414 -10.504 -18.668 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.804 -9.880 -18.236 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.814 -10.667 -17.001 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.814 -12.968 -18.762 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.212 -13.130 -17.095 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.488 -14.099 -18.401 1.00 0.00 H new ATOM 741 N LEU A 47 6.154 -10.486 -16.855 1.00 0.00 N ATOM 742 CA LEU A 47 5.100 -9.451 -17.095 1.00 0.00 C ATOM 743 C LEU A 47 5.702 -8.043 -17.047 1.00 0.00 C ATOM 744 O LEU A 47 6.174 -7.596 -16.026 1.00 0.00 O ATOM 745 CB LEU A 47 4.028 -9.586 -16.012 1.00 0.00 C ATOM 746 CG LEU A 47 2.964 -8.506 -16.201 1.00 0.00 C ATOM 747 CD1 LEU A 47 1.576 -9.149 -16.170 1.00 0.00 C ATOM 748 CD2 LEU A 47 3.080 -7.482 -15.069 1.00 0.00 C ATOM 0 H LEU A 47 6.458 -10.579 -15.886 1.00 0.00 H new ATOM 0 HA LEU A 47 4.665 -9.604 -18.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.570 -10.574 -16.062 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.481 -9.494 -15.025 1.00 0.00 H new ATOM 0 HG LEU A 47 3.110 -8.009 -17.160 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.816 -8.380 -16.305 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.497 -9.882 -16.973 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.426 -9.644 -15.210 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.323 -6.709 -15.199 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.930 -7.980 -14.111 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.070 -7.027 -15.090 1.00 0.00 H new ATOM 760 N LEU A 48 5.670 -7.331 -18.142 1.00 0.00 N ATOM 761 CA LEU A 48 6.231 -5.947 -18.149 1.00 0.00 C ATOM 762 C LEU A 48 5.094 -4.936 -17.987 1.00 0.00 C ATOM 763 O LEU A 48 4.297 -4.732 -18.879 1.00 0.00 O ATOM 764 CB LEU A 48 6.963 -5.692 -19.474 1.00 0.00 C ATOM 765 CG LEU A 48 7.186 -4.189 -19.665 1.00 0.00 C ATOM 766 CD1 LEU A 48 8.141 -3.670 -18.588 1.00 0.00 C ATOM 767 CD2 LEU A 48 7.792 -3.936 -21.046 1.00 0.00 C ATOM 0 H LEU A 48 5.281 -7.646 -19.030 1.00 0.00 H new ATOM 0 HA LEU A 48 6.935 -5.837 -17.324 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.920 -6.214 -19.477 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.380 -6.090 -20.304 1.00 0.00 H new ATOM 0 HG LEU A 48 6.232 -3.669 -19.584 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.298 -2.600 -18.726 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.710 -3.849 -17.603 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.096 -4.190 -18.667 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.951 -2.866 -21.183 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.746 -4.458 -21.126 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.112 -4.303 -21.815 1.00 0.00 H new ATOM 779 N SER A 49 5.015 -4.298 -16.852 1.00 0.00 N ATOM 780 CA SER A 49 3.932 -3.300 -16.635 1.00 0.00 C ATOM 781 C SER A 49 4.480 -1.897 -16.847 1.00 0.00 C ATOM 782 O SER A 49 5.494 -1.517 -16.298 1.00 0.00 O ATOM 783 CB SER A 49 3.394 -3.432 -15.210 1.00 0.00 C ATOM 784 OG SER A 49 2.064 -2.929 -15.161 1.00 0.00 O ATOM 0 H SER A 49 5.653 -4.425 -16.067 1.00 0.00 H new ATOM 0 HA SER A 49 3.125 -3.482 -17.345 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.412 -4.476 -14.898 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.029 -2.881 -14.517 1.00 0.00 H new ATOM 0 HG SER A 49 1.716 -3.014 -14.249 1.00 0.00 H new ATOM 790 N THR A 50 3.811 -1.132 -17.656 1.00 0.00 N ATOM 791 CA THR A 50 4.272 0.249 -17.936 1.00 0.00 C ATOM 792 C THR A 50 3.254 1.245 -17.366 1.00 0.00 C ATOM 793 O THR A 50 2.076 0.960 -17.277 1.00 0.00 O ATOM 794 CB THR A 50 4.391 0.404 -19.456 1.00 0.00 C ATOM 795 OG1 THR A 50 5.676 -0.041 -19.869 1.00 0.00 O ATOM 796 CG2 THR A 50 4.201 1.867 -19.870 1.00 0.00 C ATOM 0 H THR A 50 2.956 -1.408 -18.140 1.00 0.00 H new ATOM 0 HA THR A 50 5.238 0.444 -17.471 1.00 0.00 H new ATOM 0 HB THR A 50 3.614 -0.194 -19.933 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.591 -0.899 -20.335 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.290 1.953 -20.953 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.214 2.208 -19.558 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.964 2.482 -19.393 1.00 0.00 H new ATOM 804 N ARG A 51 3.701 2.408 -16.978 1.00 0.00 N ATOM 805 CA ARG A 51 2.758 3.416 -16.414 1.00 0.00 C ATOM 806 C ARG A 51 3.064 4.791 -17.011 1.00 0.00 C ATOM 807 O ARG A 51 4.096 5.001 -17.616 1.00 0.00 O ATOM 808 CB ARG A 51 2.925 3.470 -14.892 1.00 0.00 C ATOM 809 CG ARG A 51 2.195 4.696 -14.340 1.00 0.00 C ATOM 810 CD ARG A 51 2.248 4.675 -12.811 1.00 0.00 C ATOM 811 NE ARG A 51 0.889 4.391 -12.272 1.00 0.00 N ATOM 812 CZ ARG A 51 0.193 3.395 -12.746 1.00 0.00 C ATOM 813 NH1 ARG A 51 0.492 2.171 -12.407 1.00 0.00 N ATOM 814 NH2 ARG A 51 -0.800 3.622 -13.563 1.00 0.00 N ATOM 0 H ARG A 51 4.676 2.704 -17.027 1.00 0.00 H new ATOM 0 HA ARG A 51 1.734 3.135 -16.659 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.526 2.562 -14.440 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.983 3.517 -14.633 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.656 5.608 -14.718 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.159 4.699 -14.679 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.952 3.915 -12.471 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.607 5.633 -12.436 1.00 0.00 H new ATOM 0 HE ARG A 51 0.502 4.976 -11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.270 1.993 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.052 1.392 -12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.032 4.579 -13.831 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.344 2.843 -13.933 1.00 0.00 H new ATOM 828 N LYS A 52 2.174 5.731 -16.844 1.00 0.00 N ATOM 829 CA LYS A 52 2.414 7.091 -17.402 1.00 0.00 C ATOM 830 C LYS A 52 2.793 8.047 -16.268 1.00 0.00 C ATOM 831 O LYS A 52 2.336 7.909 -15.150 1.00 0.00 O ATOM 832 CB LYS A 52 1.142 7.594 -18.089 1.00 0.00 C ATOM 833 CG LYS A 52 -0.036 7.492 -17.118 1.00 0.00 C ATOM 834 CD LYS A 52 -1.068 6.506 -17.668 1.00 0.00 C ATOM 835 CE LYS A 52 -2.477 7.050 -17.423 1.00 0.00 C ATOM 836 NZ LYS A 52 -3.481 6.090 -17.965 1.00 0.00 N ATOM 0 H LYS A 52 1.292 5.616 -16.345 1.00 0.00 H new ATOM 0 HA LYS A 52 3.225 7.047 -18.128 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.274 8.627 -18.411 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.942 7.005 -18.984 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.313 7.161 -16.140 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.492 8.472 -16.979 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.907 6.352 -18.735 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.953 5.536 -17.185 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.640 7.200 -16.356 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.592 8.022 -17.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.439 6.459 -17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.329 5.969 -18.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.376 5.172 -17.488 1.00 0.00 H new ATOM 850 N THR A 53 3.623 9.013 -16.546 1.00 0.00 N ATOM 851 CA THR A 53 4.030 9.975 -15.483 1.00 0.00 C ATOM 852 C THR A 53 4.147 11.378 -16.082 1.00 0.00 C ATOM 853 O THR A 53 3.798 11.608 -17.222 1.00 0.00 O ATOM 854 CB THR A 53 5.382 9.552 -14.903 1.00 0.00 C ATOM 855 OG1 THR A 53 6.347 9.502 -15.945 1.00 0.00 O ATOM 856 CG2 THR A 53 5.254 8.173 -14.255 1.00 0.00 C ATOM 0 H THR A 53 4.037 9.178 -17.463 1.00 0.00 H new ATOM 0 HA THR A 53 3.281 9.980 -14.691 1.00 0.00 H new ATOM 0 HB THR A 53 5.697 10.275 -14.150 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.901 9.304 -16.795 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.218 7.874 -13.843 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.514 8.214 -13.455 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.939 7.447 -15.004 1.00 0.00 H new ATOM 864 N GLY A 54 4.636 12.319 -15.321 1.00 0.00 N ATOM 865 CA GLY A 54 4.775 13.706 -15.847 1.00 0.00 C ATOM 866 C GLY A 54 6.123 13.851 -16.555 1.00 0.00 C ATOM 867 O GLY A 54 6.382 14.832 -17.224 1.00 0.00 O ATOM 0 H GLY A 54 4.945 12.187 -14.358 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.963 13.927 -16.540 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.702 14.425 -15.031 1.00 0.00 H new ATOM 871 N SER A 55 6.986 12.881 -16.414 1.00 0.00 N ATOM 872 CA SER A 55 8.316 12.965 -17.080 1.00 0.00 C ATOM 873 C SER A 55 8.362 11.986 -18.254 1.00 0.00 C ATOM 874 O SER A 55 8.666 12.356 -19.371 1.00 0.00 O ATOM 875 CB SER A 55 9.412 12.608 -16.075 1.00 0.00 C ATOM 876 OG SER A 55 9.756 11.237 -16.224 1.00 0.00 O ATOM 0 H SER A 55 6.827 12.035 -15.867 1.00 0.00 H new ATOM 0 HA SER A 55 8.475 13.979 -17.447 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.289 13.235 -16.238 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.067 12.800 -15.059 1.00 0.00 H new ATOM 0 HG SER A 55 10.460 11.005 -15.583 1.00 0.00 H new ATOM 882 N GLY A 56 8.061 10.739 -18.012 1.00 0.00 N ATOM 883 CA GLY A 56 8.088 9.739 -19.116 1.00 0.00 C ATOM 884 C GLY A 56 7.195 8.550 -18.753 1.00 0.00 C ATOM 885 O GLY A 56 6.019 8.703 -18.491 1.00 0.00 O ATOM 0 H GLY A 56 7.798 10.370 -17.098 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.743 10.196 -20.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.110 9.400 -19.289 1.00 0.00 H new ATOM 889 N PHE A 57 7.746 7.367 -18.736 1.00 0.00 N ATOM 890 CA PHE A 57 6.928 6.170 -18.390 1.00 0.00 C ATOM 891 C PHE A 57 7.639 5.362 -17.303 1.00 0.00 C ATOM 892 O PHE A 57 8.842 5.433 -17.146 1.00 0.00 O ATOM 893 CB PHE A 57 6.751 5.297 -19.634 1.00 0.00 C ATOM 894 CG PHE A 57 5.539 5.757 -20.408 1.00 0.00 C ATOM 895 CD1 PHE A 57 5.632 6.861 -21.263 1.00 0.00 C ATOM 896 CD2 PHE A 57 4.322 5.078 -20.271 1.00 0.00 C ATOM 897 CE1 PHE A 57 4.508 7.285 -21.983 1.00 0.00 C ATOM 898 CE2 PHE A 57 3.199 5.503 -20.989 1.00 0.00 C ATOM 899 CZ PHE A 57 3.292 6.607 -21.846 1.00 0.00 C ATOM 0 H PHE A 57 8.726 7.178 -18.946 1.00 0.00 H new ATOM 0 HA PHE A 57 5.952 6.491 -18.026 1.00 0.00 H new ATOM 0 HB2 PHE A 57 7.640 5.357 -20.262 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.635 4.253 -19.344 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.570 7.386 -21.368 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.250 4.226 -19.611 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.580 8.136 -22.644 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.260 4.980 -20.882 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.425 6.935 -22.401 1.00 0.00 H new ATOM 909 N SER A 58 6.902 4.588 -16.556 1.00 0.00 N ATOM 910 CA SER A 58 7.529 3.766 -15.483 1.00 0.00 C ATOM 911 C SER A 58 7.313 2.287 -15.801 1.00 0.00 C ATOM 912 O SER A 58 6.196 1.815 -15.869 1.00 0.00 O ATOM 913 CB SER A 58 6.882 4.101 -14.138 1.00 0.00 C ATOM 914 OG SER A 58 7.760 3.722 -13.087 1.00 0.00 O ATOM 0 H SER A 58 5.891 4.489 -16.642 1.00 0.00 H new ATOM 0 HA SER A 58 8.597 3.980 -15.430 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.667 5.168 -14.081 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.931 3.578 -14.039 1.00 0.00 H new ATOM 0 HG SER A 58 7.349 3.937 -12.224 1.00 0.00 H new ATOM 920 N TYR A 59 8.370 1.551 -16.007 1.00 0.00 N ATOM 921 CA TYR A 59 8.210 0.106 -16.334 1.00 0.00 C ATOM 922 C TYR A 59 8.390 -0.743 -15.074 1.00 0.00 C ATOM 923 O TYR A 59 8.970 -0.318 -14.095 1.00 0.00 O ATOM 924 CB TYR A 59 9.250 -0.301 -17.379 1.00 0.00 C ATOM 925 CG TYR A 59 9.198 0.659 -18.543 1.00 0.00 C ATOM 926 CD1 TYR A 59 9.811 1.913 -18.443 1.00 0.00 C ATOM 927 CD2 TYR A 59 8.537 0.294 -19.722 1.00 0.00 C ATOM 928 CE1 TYR A 59 9.763 2.804 -19.522 1.00 0.00 C ATOM 929 CE2 TYR A 59 8.490 1.185 -20.802 1.00 0.00 C ATOM 930 CZ TYR A 59 9.102 2.439 -20.702 1.00 0.00 C ATOM 931 OH TYR A 59 9.055 3.317 -21.766 1.00 0.00 O ATOM 0 H TYR A 59 9.333 1.885 -15.963 1.00 0.00 H new ATOM 0 HA TYR A 59 7.209 -0.059 -16.732 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.246 -0.298 -16.936 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.057 -1.317 -17.723 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.321 2.194 -17.533 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.064 -0.674 -19.799 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.235 3.772 -19.445 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.981 0.904 -21.712 1.00 0.00 H new ATOM 0 HH TYR A 59 8.560 2.908 -22.506 1.00 0.00 H new ATOM 941 N ASN A 60 7.887 -1.944 -15.104 1.00 0.00 N ATOM 942 CA ASN A 60 8.005 -2.851 -13.930 1.00 0.00 C ATOM 943 C ASN A 60 8.043 -4.289 -14.441 1.00 0.00 C ATOM 944 O ASN A 60 7.023 -4.916 -14.621 1.00 0.00 O ATOM 945 CB ASN A 60 6.790 -2.658 -13.023 1.00 0.00 C ATOM 946 CG ASN A 60 7.123 -1.640 -11.931 1.00 0.00 C ATOM 947 OD1 ASN A 60 7.916 -1.911 -11.052 1.00 0.00 O ATOM 948 ND2 ASN A 60 6.545 -0.470 -11.950 1.00 0.00 N ATOM 0 H ASN A 60 7.392 -2.341 -15.903 1.00 0.00 H new ATOM 0 HA ASN A 60 8.911 -2.631 -13.365 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.937 -2.313 -13.608 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.504 -3.609 -12.573 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.759 0.217 -11.227 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.879 -0.242 -12.688 1.00 0.00 H new ATOM 955 N ILE A 61 9.211 -4.806 -14.699 1.00 0.00 N ATOM 956 CA ILE A 61 9.306 -6.196 -15.224 1.00 0.00 C ATOM 957 C ILE A 61 9.109 -7.206 -14.096 1.00 0.00 C ATOM 958 O ILE A 61 9.668 -7.084 -13.025 1.00 0.00 O ATOM 959 CB ILE A 61 10.677 -6.407 -15.863 1.00 0.00 C ATOM 960 CG1 ILE A 61 10.959 -5.272 -16.850 1.00 0.00 C ATOM 961 CG2 ILE A 61 10.688 -7.743 -16.606 1.00 0.00 C ATOM 962 CD1 ILE A 61 12.446 -4.915 -16.808 1.00 0.00 C ATOM 0 H ILE A 61 10.102 -4.327 -14.569 1.00 0.00 H new ATOM 0 HA ILE A 61 8.525 -6.344 -15.970 1.00 0.00 H new ATOM 0 HB ILE A 61 11.444 -6.413 -15.089 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.675 -5.574 -17.858 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.357 -4.399 -16.598 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.665 -7.897 -17.063 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.485 -8.552 -15.904 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.922 -7.734 -17.381 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.646 -4.107 -17.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.715 -4.595 -15.801 1.00 0.00 H new ATOM 0 HD13 ILE A 61 13.038 -5.789 -17.082 1.00 0.00 H new ATOM 974 N HIS A 62 8.321 -8.212 -14.349 1.00 0.00 N ATOM 975 CA HIS A 62 8.063 -9.258 -13.326 1.00 0.00 C ATOM 976 C HIS A 62 8.467 -10.609 -13.882 1.00 0.00 C ATOM 977 O HIS A 62 8.551 -10.794 -15.080 1.00 0.00 O ATOM 978 CB HIS A 62 6.565 -9.343 -13.035 1.00 0.00 C ATOM 979 CG HIS A 62 6.054 -8.030 -12.518 1.00 0.00 C ATOM 980 ND1 HIS A 62 5.831 -6.832 -13.144 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 5.681 -7.843 -11.197 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 5.327 -5.910 -12.231 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 5.257 -6.571 -11.072 1.00 0.00 N flip ATOM 0 H HIS A 62 7.838 -8.354 -15.236 1.00 0.00 H new ATOM 0 HA HIS A 62 8.624 -9.005 -12.427 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.027 -9.617 -13.943 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.375 -10.128 -12.303 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.008 -6.644 -14.131 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.723 -8.582 -10.411 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.052 -4.883 -12.419 1.00 0.00 H new ATOM 991 N TYR A 63 8.654 -11.576 -13.039 1.00 0.00 N ATOM 992 CA TYR A 63 8.972 -12.917 -13.568 1.00 0.00 C ATOM 993 C TYR A 63 8.211 -13.970 -12.769 1.00 0.00 C ATOM 994 O TYR A 63 8.622 -14.403 -11.709 1.00 0.00 O ATOM 995 CB TYR A 63 10.483 -13.190 -13.568 1.00 0.00 C ATOM 996 CG TYR A 63 11.044 -13.219 -12.165 1.00 0.00 C ATOM 997 CD1 TYR A 63 11.466 -12.032 -11.555 1.00 0.00 C ATOM 998 CD2 TYR A 63 11.176 -14.438 -11.490 1.00 0.00 C ATOM 999 CE1 TYR A 63 12.019 -12.065 -10.269 1.00 0.00 C ATOM 1000 CE2 TYR A 63 11.724 -14.470 -10.203 1.00 0.00 C ATOM 1001 CZ TYR A 63 12.147 -13.284 -9.593 1.00 0.00 C ATOM 1002 OH TYR A 63 12.702 -13.318 -8.330 1.00 0.00 O ATOM 0 H TYR A 63 8.601 -11.497 -12.023 1.00 0.00 H new ATOM 0 HA TYR A 63 8.654 -12.964 -14.609 1.00 0.00 H new ATOM 0 HB2 TYR A 63 10.681 -14.143 -14.059 1.00 0.00 H new ATOM 0 HB3 TYR A 63 10.992 -12.420 -14.148 1.00 0.00 H new ATOM 0 HD1 TYR A 63 11.365 -11.091 -12.076 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.855 -15.354 -11.963 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.347 -11.150 -9.799 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.820 -15.410 -9.680 1.00 0.00 H new ATOM 0 HH TYR A 63 13.355 -12.592 -8.240 1.00 0.00 H new ATOM 1012 N TRP A 64 7.082 -14.368 -13.288 1.00 0.00 N ATOM 1013 CA TRP A 64 6.240 -15.384 -12.609 1.00 0.00 C ATOM 1014 C TRP A 64 6.945 -16.734 -12.672 1.00 0.00 C ATOM 1015 O TRP A 64 7.557 -17.079 -13.663 1.00 0.00 O ATOM 1016 CB TRP A 64 4.890 -15.462 -13.322 1.00 0.00 C ATOM 1017 CG TRP A 64 3.946 -16.282 -12.514 1.00 0.00 C ATOM 1018 CD1 TRP A 64 3.603 -16.032 -11.233 1.00 0.00 C ATOM 1019 CD2 TRP A 64 3.220 -17.476 -12.908 1.00 0.00 C ATOM 1020 NE1 TRP A 64 2.710 -16.998 -10.815 1.00 0.00 N ATOM 1021 CE2 TRP A 64 2.443 -17.911 -11.811 1.00 0.00 C ATOM 1022 CE3 TRP A 64 3.162 -18.216 -14.100 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 1.634 -19.041 -11.892 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 2.348 -19.356 -14.186 1.00 0.00 C ATOM 1025 CH2 TRP A 64 1.586 -19.766 -13.081 1.00 0.00 C ATOM 0 H TRP A 64 6.704 -14.023 -14.170 1.00 0.00 H new ATOM 0 HA TRP A 64 6.081 -15.112 -11.566 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.485 -14.460 -13.467 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.015 -15.902 -14.312 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.967 -15.211 -10.633 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.298 -17.032 -9.882 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.746 -17.907 -14.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 1.048 -19.353 -11.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.308 -19.920 -15.106 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.962 -20.644 -13.152 1.00 0.00 H new ATOM 1036 N LEU A 65 6.894 -17.490 -11.612 1.00 0.00 N ATOM 1037 CA LEU A 65 7.598 -18.799 -11.608 1.00 0.00 C ATOM 1038 C LEU A 65 6.626 -19.945 -11.305 1.00 0.00 C ATOM 1039 O LEU A 65 6.793 -20.649 -10.334 1.00 0.00 O ATOM 1040 CB LEU A 65 8.680 -18.775 -10.519 1.00 0.00 C ATOM 1041 CG LEU A 65 10.015 -18.173 -11.016 1.00 0.00 C ATOM 1042 CD1 LEU A 65 11.042 -19.291 -11.161 1.00 0.00 C ATOM 1043 CD2 LEU A 65 9.871 -17.456 -12.367 1.00 0.00 C ATOM 0 H LEU A 65 6.397 -17.258 -10.752 1.00 0.00 H new ATOM 0 HA LEU A 65 8.037 -18.961 -12.593 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.320 -18.197 -9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.854 -19.791 -10.164 1.00 0.00 H new ATOM 0 HG LEU A 65 10.334 -17.435 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.986 -18.874 -11.511 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.194 -19.773 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.681 -20.026 -11.880 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.837 -17.052 -12.669 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.522 -18.164 -13.119 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.151 -16.643 -12.272 1.00 0.00 H new ATOM 1055 N GLY A 66 5.634 -20.159 -12.135 1.00 0.00 N ATOM 1056 CA GLY A 66 4.686 -21.296 -11.890 1.00 0.00 C ATOM 1057 C GLY A 66 5.514 -22.574 -11.723 1.00 0.00 C ATOM 1058 O GLY A 66 5.822 -23.249 -12.689 1.00 0.00 O ATOM 0 H GLY A 66 5.439 -19.601 -12.966 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.089 -21.109 -10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.990 -21.399 -12.723 1.00 0.00 H new ATOM 1062 N LYS A 67 5.898 -22.859 -10.500 1.00 0.00 N ATOM 1063 CA LYS A 67 6.764 -24.033 -10.168 1.00 0.00 C ATOM 1064 C LYS A 67 6.276 -25.342 -10.779 1.00 0.00 C ATOM 1065 O LYS A 67 5.521 -26.085 -10.186 1.00 0.00 O ATOM 1066 CB LYS A 67 6.823 -24.189 -8.647 1.00 0.00 C ATOM 1067 CG LYS A 67 8.139 -24.862 -8.255 1.00 0.00 C ATOM 1068 CD LYS A 67 8.307 -24.810 -6.734 1.00 0.00 C ATOM 1069 CE LYS A 67 8.609 -23.374 -6.303 1.00 0.00 C ATOM 1070 NZ LYS A 67 10.064 -23.241 -6.009 1.00 0.00 N ATOM 0 H LYS A 67 5.634 -22.301 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 67 7.748 -23.832 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.744 -23.213 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.979 -24.785 -8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.146 -25.897 -8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.975 -24.360 -8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.400 -25.165 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.116 -25.472 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.321 -22.678 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.023 -23.117 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.271 -22.265 -5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.325 -23.895 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.613 -23.470 -6.862 1.00 0.00 H new ATOM 1084 N ASN A 68 6.763 -25.647 -11.940 1.00 0.00 N ATOM 1085 CA ASN A 68 6.411 -26.935 -12.602 1.00 0.00 C ATOM 1086 C ASN A 68 7.448 -27.222 -13.685 1.00 0.00 C ATOM 1087 O ASN A 68 7.907 -28.336 -13.845 1.00 0.00 O ATOM 1088 CB ASN A 68 5.027 -26.849 -13.230 1.00 0.00 C ATOM 1089 CG ASN A 68 3.966 -26.789 -12.127 1.00 0.00 C ATOM 1090 OD1 ASN A 68 3.698 -25.739 -11.581 1.00 0.00 O ATOM 1091 ND2 ASN A 68 3.347 -27.883 -11.776 1.00 0.00 N ATOM 0 H ASN A 68 7.400 -25.053 -12.471 1.00 0.00 H new ATOM 0 HA ASN A 68 6.404 -27.735 -11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.958 -25.965 -13.863 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.852 -27.714 -13.870 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.638 -27.855 -11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.572 -28.766 -12.235 1.00 0.00 H new ATOM 1098 N SER A 69 7.828 -26.215 -14.426 1.00 0.00 N ATOM 1099 CA SER A 69 8.843 -26.417 -15.497 1.00 0.00 C ATOM 1100 C SER A 69 10.182 -26.795 -14.860 1.00 0.00 C ATOM 1101 O SER A 69 10.231 -27.472 -13.853 1.00 0.00 O ATOM 1102 CB SER A 69 8.997 -25.122 -16.293 1.00 0.00 C ATOM 1103 OG SER A 69 9.820 -24.221 -15.564 1.00 0.00 O ATOM 0 H SER A 69 7.478 -25.261 -14.335 1.00 0.00 H new ATOM 0 HA SER A 69 8.523 -27.217 -16.165 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.439 -25.330 -17.267 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.020 -24.675 -16.475 1.00 0.00 H new ATOM 0 HG SER A 69 9.367 -23.356 -15.484 1.00 0.00 H new ATOM 1109 N SER A 70 11.273 -26.364 -15.437 1.00 0.00 N ATOM 1110 CA SER A 70 12.602 -26.705 -14.857 1.00 0.00 C ATOM 1111 C SER A 70 13.311 -25.428 -14.395 1.00 0.00 C ATOM 1112 O SER A 70 12.869 -24.325 -14.660 1.00 0.00 O ATOM 1113 CB SER A 70 13.456 -27.411 -15.910 1.00 0.00 C ATOM 1114 OG SER A 70 14.191 -26.443 -16.645 1.00 0.00 O ATOM 0 H SER A 70 11.300 -25.793 -16.282 1.00 0.00 H new ATOM 0 HA SER A 70 12.460 -27.366 -14.002 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.137 -28.114 -15.431 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.821 -27.989 -16.581 1.00 0.00 H new ATOM 0 HG SER A 70 14.609 -26.870 -17.422 1.00 0.00 H new ATOM 1120 N GLN A 71 14.404 -25.573 -13.697 1.00 0.00 N ATOM 1121 CA GLN A 71 15.143 -24.378 -13.198 1.00 0.00 C ATOM 1122 C GLN A 71 15.812 -23.640 -14.361 1.00 0.00 C ATOM 1123 O GLN A 71 16.293 -22.534 -14.205 1.00 0.00 O ATOM 1124 CB GLN A 71 16.211 -24.825 -12.199 1.00 0.00 C ATOM 1125 CG GLN A 71 16.325 -23.792 -11.076 1.00 0.00 C ATOM 1126 CD GLN A 71 17.393 -24.239 -10.077 1.00 0.00 C ATOM 1127 OE1 GLN A 71 18.551 -24.361 -10.422 1.00 0.00 O ATOM 1128 NE2 GLN A 71 17.051 -24.489 -8.842 1.00 0.00 N ATOM 0 H GLN A 71 14.819 -26.471 -13.450 1.00 0.00 H new ATOM 0 HA GLN A 71 14.438 -23.704 -12.712 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.952 -25.800 -11.786 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.171 -24.937 -12.703 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.584 -22.817 -11.489 1.00 0.00 H new ATOM 0 HG3 GLN A 71 15.365 -23.680 -10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.079 -24.387 -8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.756 -24.787 -8.168 1.00 0.00 H new ATOM 1137 N ASP A 72 15.860 -24.230 -15.523 1.00 0.00 N ATOM 1138 CA ASP A 72 16.511 -23.530 -16.666 1.00 0.00 C ATOM 1139 C ASP A 72 15.524 -22.550 -17.297 1.00 0.00 C ATOM 1140 O ASP A 72 15.824 -21.387 -17.468 1.00 0.00 O ATOM 1141 CB ASP A 72 16.999 -24.555 -17.704 1.00 0.00 C ATOM 1142 CG ASP A 72 15.865 -24.928 -18.665 1.00 0.00 C ATOM 1143 OD1 ASP A 72 15.490 -24.086 -19.464 1.00 0.00 O ATOM 1144 OD2 ASP A 72 15.398 -26.053 -18.593 1.00 0.00 O ATOM 0 H ASP A 72 15.482 -25.155 -15.730 1.00 0.00 H new ATOM 0 HA ASP A 72 17.375 -22.972 -16.304 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.838 -24.142 -18.265 1.00 0.00 H new ATOM 0 HB3 ASP A 72 17.363 -25.449 -17.198 1.00 0.00 H new ATOM 1149 N GLU A 73 14.344 -22.993 -17.631 1.00 0.00 N ATOM 1150 CA GLU A 73 13.361 -22.052 -18.227 1.00 0.00 C ATOM 1151 C GLU A 73 13.035 -20.990 -17.183 1.00 0.00 C ATOM 1152 O GLU A 73 12.758 -19.854 -17.505 1.00 0.00 O ATOM 1153 CB GLU A 73 12.093 -22.803 -18.636 1.00 0.00 C ATOM 1154 CG GLU A 73 11.301 -23.191 -17.388 1.00 0.00 C ATOM 1155 CD GLU A 73 10.169 -22.185 -17.172 1.00 0.00 C ATOM 1156 OE1 GLU A 73 10.459 -21.000 -17.122 1.00 0.00 O ATOM 1157 OE2 GLU A 73 9.033 -22.615 -17.061 1.00 0.00 O ATOM 0 H GLU A 73 14.022 -23.954 -17.518 1.00 0.00 H new ATOM 0 HA GLU A 73 13.777 -21.585 -19.120 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.482 -22.178 -19.287 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.354 -23.695 -19.205 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.893 -24.196 -17.500 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.958 -23.209 -16.518 1.00 0.00 H new ATOM 1164 N GLN A 74 13.100 -21.345 -15.928 1.00 0.00 N ATOM 1165 CA GLN A 74 12.832 -20.340 -14.869 1.00 0.00 C ATOM 1166 C GLN A 74 14.003 -19.354 -14.861 1.00 0.00 C ATOM 1167 O GLN A 74 13.839 -18.176 -14.610 1.00 0.00 O ATOM 1168 CB GLN A 74 12.686 -21.044 -13.508 1.00 0.00 C ATOM 1169 CG GLN A 74 14.036 -21.131 -12.787 1.00 0.00 C ATOM 1170 CD GLN A 74 14.257 -19.866 -11.957 1.00 0.00 C ATOM 1171 OE1 GLN A 74 13.864 -18.787 -12.357 1.00 0.00 O ATOM 1172 NE2 GLN A 74 14.873 -19.951 -10.810 1.00 0.00 N ATOM 0 H GLN A 74 13.326 -22.282 -15.595 1.00 0.00 H new ATOM 0 HA GLN A 74 11.902 -19.804 -15.061 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.973 -20.501 -12.888 1.00 0.00 H new ATOM 0 HB3 GLN A 74 12.283 -22.046 -13.654 1.00 0.00 H new ATOM 0 HG2 GLN A 74 14.059 -22.010 -12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 74 14.841 -21.247 -13.513 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.203 -20.856 -10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.025 -19.113 -10.249 1.00 0.00 H new ATOM 1181 N GLY A 75 15.189 -19.831 -15.160 1.00 0.00 N ATOM 1182 CA GLY A 75 16.366 -18.922 -15.193 1.00 0.00 C ATOM 1183 C GLY A 75 16.360 -18.159 -16.517 1.00 0.00 C ATOM 1184 O GLY A 75 17.012 -17.145 -16.666 1.00 0.00 O ATOM 0 H GLY A 75 15.386 -20.807 -15.381 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.329 -18.225 -14.355 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.288 -19.494 -15.091 1.00 0.00 H new ATOM 1188 N ALA A 76 15.616 -18.638 -17.480 1.00 0.00 N ATOM 1189 CA ALA A 76 15.553 -17.940 -18.793 1.00 0.00 C ATOM 1190 C ALA A 76 14.549 -16.795 -18.691 1.00 0.00 C ATOM 1191 O ALA A 76 14.734 -15.738 -19.260 1.00 0.00 O ATOM 1192 CB ALA A 76 15.104 -18.922 -19.876 1.00 0.00 C ATOM 0 H ALA A 76 15.050 -19.484 -17.411 1.00 0.00 H new ATOM 0 HA ALA A 76 16.537 -17.549 -19.054 1.00 0.00 H new ATOM 0 HB1 ALA A 76 15.059 -18.409 -20.836 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.815 -19.746 -19.938 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.118 -19.313 -19.626 1.00 0.00 H new ATOM 1198 N ALA A 77 13.487 -16.996 -17.960 1.00 0.00 N ATOM 1199 CA ALA A 77 12.472 -15.916 -17.806 1.00 0.00 C ATOM 1200 C ALA A 77 13.069 -14.789 -16.965 1.00 0.00 C ATOM 1201 O ALA A 77 13.053 -13.636 -17.349 1.00 0.00 O ATOM 1202 CB ALA A 77 11.232 -16.470 -17.103 1.00 0.00 C ATOM 0 H ALA A 77 13.278 -17.862 -17.463 1.00 0.00 H new ATOM 0 HA ALA A 77 12.189 -15.538 -18.788 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.492 -15.677 -16.992 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.809 -17.281 -17.696 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.510 -16.847 -16.119 1.00 0.00 H new ATOM 1208 N ALA A 78 13.603 -15.115 -15.818 1.00 0.00 N ATOM 1209 CA ALA A 78 14.207 -14.063 -14.955 1.00 0.00 C ATOM 1210 C ALA A 78 15.300 -13.336 -15.738 1.00 0.00 C ATOM 1211 O ALA A 78 15.350 -12.122 -15.775 1.00 0.00 O ATOM 1212 CB ALA A 78 14.816 -14.711 -13.709 1.00 0.00 C ATOM 0 H ALA A 78 13.646 -16.063 -15.443 1.00 0.00 H new ATOM 0 HA ALA A 78 13.438 -13.352 -14.653 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.258 -13.940 -13.077 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.037 -15.233 -13.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.587 -15.421 -14.008 1.00 0.00 H new ATOM 1218 N ILE A 79 16.176 -14.070 -16.370 1.00 0.00 N ATOM 1219 CA ILE A 79 17.261 -13.418 -17.153 1.00 0.00 C ATOM 1220 C ILE A 79 16.643 -12.483 -18.191 1.00 0.00 C ATOM 1221 O ILE A 79 17.106 -11.378 -18.397 1.00 0.00 O ATOM 1222 CB ILE A 79 18.095 -14.485 -17.862 1.00 0.00 C ATOM 1223 CG1 ILE A 79 18.933 -15.246 -16.832 1.00 0.00 C ATOM 1224 CG2 ILE A 79 19.021 -13.812 -18.875 1.00 0.00 C ATOM 1225 CD1 ILE A 79 19.512 -16.507 -17.475 1.00 0.00 C ATOM 0 H ILE A 79 16.186 -15.090 -16.377 1.00 0.00 H new ATOM 0 HA ILE A 79 17.901 -12.847 -16.481 1.00 0.00 H new ATOM 0 HB ILE A 79 17.434 -15.182 -18.377 1.00 0.00 H new ATOM 0 HG12 ILE A 79 19.738 -14.611 -16.462 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.318 -15.513 -15.973 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.617 -14.570 -19.383 1.00 0.00 H new ATOM 0 HG22 ILE A 79 18.425 -13.269 -19.608 1.00 0.00 H new ATOM 0 HG23 ILE A 79 19.682 -13.117 -18.358 1.00 0.00 H new ATOM 0 HD11 ILE A 79 20.109 -17.049 -16.741 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.699 -17.144 -17.823 1.00 0.00 H new ATOM 0 HD13 ILE A 79 20.142 -16.228 -18.320 1.00 0.00 H new ATOM 1237 N TYR A 80 15.598 -12.912 -18.846 1.00 0.00 N ATOM 1238 CA TYR A 80 14.953 -12.038 -19.863 1.00 0.00 C ATOM 1239 C TYR A 80 14.400 -10.798 -19.162 1.00 0.00 C ATOM 1240 O TYR A 80 14.327 -9.727 -19.731 1.00 0.00 O ATOM 1241 CB TYR A 80 13.816 -12.798 -20.547 1.00 0.00 C ATOM 1242 CG TYR A 80 14.385 -13.694 -21.622 1.00 0.00 C ATOM 1243 CD1 TYR A 80 15.528 -14.460 -21.363 1.00 0.00 C ATOM 1244 CD2 TYR A 80 13.773 -13.755 -22.879 1.00 0.00 C ATOM 1245 CE1 TYR A 80 16.058 -15.288 -22.361 1.00 0.00 C ATOM 1246 CE2 TYR A 80 14.303 -14.580 -23.878 1.00 0.00 C ATOM 1247 CZ TYR A 80 15.446 -15.347 -23.619 1.00 0.00 C ATOM 1248 OH TYR A 80 15.968 -16.161 -24.602 1.00 0.00 O ATOM 0 H TYR A 80 15.165 -13.827 -18.720 1.00 0.00 H new ATOM 0 HA TYR A 80 15.682 -11.742 -20.617 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.269 -13.392 -19.815 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.105 -12.096 -20.982 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.001 -14.413 -20.393 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.891 -13.165 -23.079 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.938 -15.881 -22.160 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.831 -14.625 -24.848 1.00 0.00 H new ATOM 0 HH TYR A 80 15.423 -16.085 -25.413 1.00 0.00 H new ATOM 1258 N THR A 81 14.023 -10.936 -17.920 1.00 0.00 N ATOM 1259 CA THR A 81 13.489 -9.769 -17.167 1.00 0.00 C ATOM 1260 C THR A 81 14.641 -8.809 -16.870 1.00 0.00 C ATOM 1261 O THR A 81 14.448 -7.628 -16.664 1.00 0.00 O ATOM 1262 CB THR A 81 12.874 -10.253 -15.850 1.00 0.00 C ATOM 1263 OG1 THR A 81 11.653 -10.930 -16.121 1.00 0.00 O ATOM 1264 CG2 THR A 81 12.605 -9.058 -14.935 1.00 0.00 C ATOM 0 H THR A 81 14.062 -11.809 -17.394 1.00 0.00 H new ATOM 0 HA THR A 81 12.725 -9.262 -17.756 1.00 0.00 H new ATOM 0 HB THR A 81 13.567 -10.933 -15.355 1.00 0.00 H new ATOM 0 HG1 THR A 81 11.846 -11.813 -16.500 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.168 -9.407 -14.000 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.542 -8.541 -14.727 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.914 -8.373 -15.425 1.00 0.00 H new ATOM 1272 N THR A 82 15.843 -9.318 -16.854 1.00 0.00 N ATOM 1273 CA THR A 82 17.024 -8.455 -16.578 1.00 0.00 C ATOM 1274 C THR A 82 17.510 -7.830 -17.890 1.00 0.00 C ATOM 1275 O THR A 82 18.068 -6.751 -17.905 1.00 0.00 O ATOM 1276 CB THR A 82 18.138 -9.314 -15.964 1.00 0.00 C ATOM 1277 OG1 THR A 82 17.857 -9.533 -14.588 1.00 0.00 O ATOM 1278 CG2 THR A 82 19.488 -8.606 -16.102 1.00 0.00 C ATOM 0 H THR A 82 16.058 -10.301 -17.022 1.00 0.00 H new ATOM 0 HA THR A 82 16.753 -7.661 -15.882 1.00 0.00 H new ATOM 0 HB THR A 82 18.184 -10.268 -16.489 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.566 -10.083 -14.193 1.00 0.00 H new ATOM 0 HG21 THR A 82 20.270 -9.225 -15.663 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.706 -8.440 -17.157 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.451 -7.647 -15.585 1.00 0.00 H new ATOM 1286 N GLN A 83 17.303 -8.501 -18.989 1.00 0.00 N ATOM 1287 CA GLN A 83 17.753 -7.947 -20.298 1.00 0.00 C ATOM 1288 C GLN A 83 16.836 -6.792 -20.706 1.00 0.00 C ATOM 1289 O GLN A 83 17.281 -5.788 -21.225 1.00 0.00 O ATOM 1290 CB GLN A 83 17.696 -9.045 -21.362 1.00 0.00 C ATOM 1291 CG GLN A 83 19.118 -9.454 -21.751 1.00 0.00 C ATOM 1292 CD GLN A 83 19.179 -10.971 -21.937 1.00 0.00 C ATOM 1293 OE1 GLN A 83 18.425 -11.533 -22.706 1.00 0.00 O ATOM 1294 NE2 GLN A 83 20.051 -11.665 -21.257 1.00 0.00 N ATOM 0 H GLN A 83 16.842 -9.409 -19.038 1.00 0.00 H new ATOM 0 HA GLN A 83 18.776 -7.582 -20.206 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.150 -9.908 -20.980 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.156 -8.688 -22.239 1.00 0.00 H new ATOM 0 HG2 GLN A 83 19.413 -8.952 -22.672 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.822 -9.143 -20.979 1.00 0.00 H new ATOM 0 HE21 GLN A 83 20.685 -11.195 -20.611 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.098 -12.677 -21.372 1.00 0.00 H new ATOM 1303 N MET A 84 15.559 -6.927 -20.478 1.00 0.00 N ATOM 1304 CA MET A 84 14.617 -5.837 -20.856 1.00 0.00 C ATOM 1305 C MET A 84 14.707 -4.707 -19.829 1.00 0.00 C ATOM 1306 O MET A 84 14.458 -3.557 -20.133 1.00 0.00 O ATOM 1307 CB MET A 84 13.189 -6.385 -20.893 1.00 0.00 C ATOM 1308 CG MET A 84 12.701 -6.642 -19.466 1.00 0.00 C ATOM 1309 SD MET A 84 11.460 -7.960 -19.481 1.00 0.00 S ATOM 1310 CE MET A 84 10.584 -7.434 -20.974 1.00 0.00 C ATOM 0 H MET A 84 15.127 -7.744 -20.047 1.00 0.00 H new ATOM 0 HA MET A 84 14.882 -5.453 -21.841 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.529 -5.675 -21.392 1.00 0.00 H new ATOM 0 HB3 MET A 84 13.158 -7.309 -21.471 1.00 0.00 H new ATOM 0 HG2 MET A 84 13.539 -6.924 -18.829 1.00 0.00 H new ATOM 0 HG3 MET A 84 12.274 -5.731 -19.046 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.283 -8.311 -21.547 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.699 -6.862 -20.694 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.241 -6.811 -21.581 1.00 0.00 H new ATOM 1320 N ASP A 85 15.063 -5.023 -18.614 1.00 0.00 N ATOM 1321 CA ASP A 85 15.171 -3.965 -17.571 1.00 0.00 C ATOM 1322 C ASP A 85 16.324 -3.022 -17.922 1.00 0.00 C ATOM 1323 O ASP A 85 16.261 -1.833 -17.681 1.00 0.00 O ATOM 1324 CB ASP A 85 15.438 -4.613 -16.211 1.00 0.00 C ATOM 1325 CG ASP A 85 15.093 -3.622 -15.097 1.00 0.00 C ATOM 1326 OD1 ASP A 85 15.759 -2.605 -15.008 1.00 0.00 O ATOM 1327 OD2 ASP A 85 14.167 -3.898 -14.351 1.00 0.00 O ATOM 0 H ASP A 85 15.284 -5.968 -18.299 1.00 0.00 H new ATOM 0 HA ASP A 85 14.239 -3.401 -17.527 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.841 -5.519 -16.104 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.484 -4.910 -16.137 1.00 0.00 H new ATOM 1332 N GLU A 86 17.375 -3.544 -18.492 1.00 0.00 N ATOM 1333 CA GLU A 86 18.530 -2.679 -18.859 1.00 0.00 C ATOM 1334 C GLU A 86 18.297 -2.083 -20.249 1.00 0.00 C ATOM 1335 O GLU A 86 18.846 -1.056 -20.597 1.00 0.00 O ATOM 1336 CB GLU A 86 19.812 -3.515 -18.873 1.00 0.00 C ATOM 1337 CG GLU A 86 21.003 -2.632 -18.499 1.00 0.00 C ATOM 1338 CD GLU A 86 22.303 -3.336 -18.890 1.00 0.00 C ATOM 1339 OE1 GLU A 86 22.509 -4.452 -18.440 1.00 0.00 O ATOM 1340 OE2 GLU A 86 23.072 -2.748 -19.634 1.00 0.00 O ATOM 0 H GLU A 86 17.483 -4.532 -18.719 1.00 0.00 H new ATOM 0 HA GLU A 86 18.628 -1.876 -18.129 1.00 0.00 H new ATOM 0 HB2 GLU A 86 19.726 -4.344 -18.170 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.964 -3.949 -19.861 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.930 -1.671 -19.008 1.00 0.00 H new ATOM 0 HG3 GLU A 86 20.996 -2.427 -17.428 1.00 0.00 H new ATOM 1347 N TYR A 87 17.484 -2.718 -21.048 1.00 0.00 N ATOM 1348 CA TYR A 87 17.214 -2.189 -22.415 1.00 0.00 C ATOM 1349 C TYR A 87 16.058 -1.189 -22.355 1.00 0.00 C ATOM 1350 O TYR A 87 15.811 -0.456 -23.293 1.00 0.00 O ATOM 1351 CB TYR A 87 16.839 -3.345 -23.344 1.00 0.00 C ATOM 1352 CG TYR A 87 18.090 -4.079 -23.765 1.00 0.00 C ATOM 1353 CD1 TYR A 87 18.998 -4.526 -22.798 1.00 0.00 C ATOM 1354 CD2 TYR A 87 18.341 -4.313 -25.122 1.00 0.00 C ATOM 1355 CE1 TYR A 87 20.158 -5.207 -23.188 1.00 0.00 C ATOM 1356 CE2 TYR A 87 19.501 -4.994 -25.512 1.00 0.00 C ATOM 1357 CZ TYR A 87 20.409 -5.440 -24.545 1.00 0.00 C ATOM 1358 OH TYR A 87 21.552 -6.112 -24.929 1.00 0.00 O ATOM 0 H TYR A 87 16.994 -3.581 -20.813 1.00 0.00 H new ATOM 0 HA TYR A 87 18.106 -1.692 -22.795 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.158 -4.028 -22.836 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.315 -2.965 -24.221 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.804 -4.346 -21.751 1.00 0.00 H new ATOM 0 HD2 TYR A 87 17.640 -3.968 -25.868 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.858 -5.552 -22.442 1.00 0.00 H new ATOM 0 HE2 TYR A 87 19.695 -5.175 -26.559 1.00 0.00 H new ATOM 0 HH TYR A 87 21.573 -6.191 -25.906 1.00 0.00 H new ATOM 1368 N LEU A 88 15.349 -1.151 -21.261 1.00 0.00 N ATOM 1369 CA LEU A 88 14.209 -0.198 -21.144 1.00 0.00 C ATOM 1370 C LEU A 88 14.708 1.130 -20.570 1.00 0.00 C ATOM 1371 O LEU A 88 13.933 1.990 -20.206 1.00 0.00 O ATOM 1372 CB LEU A 88 13.144 -0.787 -20.217 1.00 0.00 C ATOM 1373 CG LEU A 88 12.288 -1.787 -20.996 1.00 0.00 C ATOM 1374 CD1 LEU A 88 11.537 -2.691 -20.016 1.00 0.00 C ATOM 1375 CD2 LEU A 88 11.279 -1.026 -21.860 1.00 0.00 C ATOM 0 H LEU A 88 15.509 -1.738 -20.443 1.00 0.00 H new ATOM 0 HA LEU A 88 13.778 -0.027 -22.130 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.618 -1.281 -19.368 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.517 0.008 -19.814 1.00 0.00 H new ATOM 0 HG LEU A 88 12.930 -2.396 -21.633 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.927 -3.403 -20.572 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.253 -3.232 -19.398 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.894 -2.083 -19.379 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.668 -1.736 -22.416 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.638 -0.418 -21.221 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.812 -0.381 -22.559 1.00 0.00 H new ATOM 1387 N GLY A 89 15.999 1.302 -20.487 1.00 0.00 N ATOM 1388 CA GLY A 89 16.547 2.576 -19.938 1.00 0.00 C ATOM 1389 C GLY A 89 16.896 2.393 -18.460 1.00 0.00 C ATOM 1390 O GLY A 89 17.333 3.313 -17.798 1.00 0.00 O ATOM 0 H GLY A 89 16.698 0.617 -20.775 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.435 2.872 -20.497 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.816 3.377 -20.053 1.00 0.00 H new ATOM 1394 N SER A 90 16.706 1.213 -17.935 1.00 0.00 N ATOM 1395 CA SER A 90 17.029 0.977 -16.499 1.00 0.00 C ATOM 1396 C SER A 90 15.943 1.599 -15.619 1.00 0.00 C ATOM 1397 O SER A 90 16.025 1.576 -14.407 1.00 0.00 O ATOM 1398 CB SER A 90 18.379 1.614 -16.170 1.00 0.00 C ATOM 1399 OG SER A 90 19.274 1.405 -17.254 1.00 0.00 O ATOM 0 H SER A 90 16.342 0.404 -18.437 1.00 0.00 H new ATOM 0 HA SER A 90 17.076 -0.095 -16.310 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.255 2.681 -15.986 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.787 1.179 -15.258 1.00 0.00 H new ATOM 0 HG SER A 90 20.140 1.814 -17.047 1.00 0.00 H new ATOM 1405 N VAL A 91 14.923 2.154 -16.218 1.00 0.00 N ATOM 1406 CA VAL A 91 13.835 2.774 -15.412 1.00 0.00 C ATOM 1407 C VAL A 91 12.841 1.694 -14.985 1.00 0.00 C ATOM 1408 O VAL A 91 12.042 1.887 -14.090 1.00 0.00 O ATOM 1409 CB VAL A 91 13.111 3.826 -16.253 1.00 0.00 C ATOM 1410 CG1 VAL A 91 13.974 5.086 -16.351 1.00 0.00 C ATOM 1411 CG2 VAL A 91 12.862 3.271 -17.658 1.00 0.00 C ATOM 0 H VAL A 91 14.798 2.204 -17.229 1.00 0.00 H new ATOM 0 HA VAL A 91 14.263 3.247 -14.528 1.00 0.00 H new ATOM 0 HB VAL A 91 12.159 4.073 -15.783 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.457 5.835 -16.951 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.154 5.482 -15.352 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.926 4.839 -16.821 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.346 4.020 -18.259 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.815 3.024 -18.126 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.248 2.373 -17.591 1.00 0.00 H new ATOM 1421 N ALA A 92 12.883 0.555 -15.620 1.00 0.00 N ATOM 1422 CA ALA A 92 11.941 -0.539 -15.254 1.00 0.00 C ATOM 1423 C ALA A 92 12.322 -1.106 -13.887 1.00 0.00 C ATOM 1424 O ALA A 92 13.342 -0.762 -13.320 1.00 0.00 O ATOM 1425 CB ALA A 92 12.018 -1.649 -16.305 1.00 0.00 C ATOM 0 H ALA A 92 13.530 0.335 -16.377 1.00 0.00 H new ATOM 0 HA ALA A 92 10.926 -0.145 -15.213 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.329 -2.451 -16.039 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.746 -1.246 -17.281 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.034 -2.042 -16.345 1.00 0.00 H new ATOM 1431 N VAL A 93 11.510 -1.975 -13.353 1.00 0.00 N ATOM 1432 CA VAL A 93 11.819 -2.569 -12.023 1.00 0.00 C ATOM 1433 C VAL A 93 11.819 -4.093 -12.139 1.00 0.00 C ATOM 1434 O VAL A 93 11.533 -4.644 -13.182 1.00 0.00 O ATOM 1435 CB VAL A 93 10.751 -2.139 -11.016 1.00 0.00 C ATOM 1436 CG1 VAL A 93 11.259 -2.383 -9.595 1.00 0.00 C ATOM 1437 CG2 VAL A 93 10.446 -0.651 -11.200 1.00 0.00 C ATOM 0 H VAL A 93 10.643 -2.300 -13.782 1.00 0.00 H new ATOM 0 HA VAL A 93 12.798 -2.226 -11.687 1.00 0.00 H new ATOM 0 HB VAL A 93 9.843 -2.720 -11.181 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.497 -2.076 -8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.475 -3.443 -9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 93 12.167 -1.804 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.685 -0.344 -10.483 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.354 -0.071 -11.036 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.082 -0.477 -12.212 1.00 0.00 H new ATOM 1447 N GLN A 94 12.133 -4.782 -11.078 1.00 0.00 N ATOM 1448 CA GLN A 94 12.140 -6.267 -11.140 1.00 0.00 C ATOM 1449 C GLN A 94 11.235 -6.820 -10.037 1.00 0.00 C ATOM 1450 O GLN A 94 11.307 -6.408 -8.896 1.00 0.00 O ATOM 1451 CB GLN A 94 13.566 -6.783 -10.943 1.00 0.00 C ATOM 1452 CG GLN A 94 13.615 -8.280 -11.257 1.00 0.00 C ATOM 1453 CD GLN A 94 13.770 -9.070 -9.956 1.00 0.00 C ATOM 1454 OE1 GLN A 94 12.910 -9.029 -9.099 1.00 0.00 O ATOM 1455 NE2 GLN A 94 14.841 -9.794 -9.769 1.00 0.00 N ATOM 0 H GLN A 94 12.384 -4.382 -10.174 1.00 0.00 H new ATOM 0 HA GLN A 94 11.773 -6.595 -12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.253 -6.242 -11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.890 -6.605 -9.918 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.704 -8.584 -11.773 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.448 -8.495 -11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 94 15.564 -9.830 -10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.954 -10.324 -8.905 1.00 0.00 H new ATOM 1464 N HIS A 95 10.379 -7.746 -10.367 1.00 0.00 N ATOM 1465 CA HIS A 95 9.466 -8.318 -9.339 1.00 0.00 C ATOM 1466 C HIS A 95 9.521 -9.846 -9.395 1.00 0.00 C ATOM 1467 O HIS A 95 9.820 -10.429 -10.419 1.00 0.00 O ATOM 1468 CB HIS A 95 8.040 -7.848 -9.616 1.00 0.00 C ATOM 1469 CG HIS A 95 8.071 -6.413 -10.065 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.005 -5.844 -11.311 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.195 -5.358 -9.173 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 8.087 -4.459 -11.200 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 8.201 -4.220 -9.892 1.00 0.00 N flip ATOM 0 H HIS A 95 10.272 -8.132 -11.305 1.00 0.00 H new ATOM 0 HA HIS A 95 9.777 -7.984 -8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.581 -8.472 -10.383 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.431 -7.947 -8.718 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.273 -5.435 -8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.063 -3.734 -12.000 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.283 -3.288 -9.486 1.00 0.00 H new ATOM 1481 N ARG A 96 9.241 -10.499 -8.301 1.00 0.00 N ATOM 1482 CA ARG A 96 9.288 -11.988 -8.289 1.00 0.00 C ATOM 1483 C ARG A 96 7.905 -12.556 -7.971 1.00 0.00 C ATOM 1484 O ARG A 96 7.275 -12.175 -7.004 1.00 0.00 O ATOM 1485 CB ARG A 96 10.274 -12.448 -7.215 1.00 0.00 C ATOM 1486 CG ARG A 96 10.264 -13.977 -7.130 1.00 0.00 C ATOM 1487 CD ARG A 96 10.635 -14.412 -5.710 1.00 0.00 C ATOM 1488 NE ARG A 96 9.539 -14.034 -4.774 1.00 0.00 N ATOM 1489 CZ ARG A 96 9.817 -13.411 -3.661 1.00 0.00 C ATOM 1490 NH1 ARG A 96 10.697 -12.448 -3.656 1.00 0.00 N ATOM 1491 NH2 ARG A 96 9.212 -13.750 -2.555 1.00 0.00 N ATOM 0 H ARG A 96 8.982 -10.066 -7.415 1.00 0.00 H new ATOM 0 HA ARG A 96 9.605 -12.343 -9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.277 -12.093 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.004 -12.018 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.278 -14.360 -7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 96 10.970 -14.396 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.799 -15.489 -5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.568 -13.938 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 96 8.572 -14.262 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.167 -12.182 -4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.915 -11.961 -2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.522 -14.501 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.429 -13.263 -1.685 1.00 0.00 H new ATOM 1505 N GLU A 97 7.434 -13.479 -8.764 1.00 0.00 N ATOM 1506 CA GLU A 97 6.101 -14.083 -8.487 1.00 0.00 C ATOM 1507 C GLU A 97 6.202 -15.604 -8.621 1.00 0.00 C ATOM 1508 O GLU A 97 7.162 -16.126 -9.153 1.00 0.00 O ATOM 1509 CB GLU A 97 5.065 -13.542 -9.469 1.00 0.00 C ATOM 1510 CG GLU A 97 4.984 -12.020 -9.342 1.00 0.00 C ATOM 1511 CD GLU A 97 6.171 -11.382 -10.068 1.00 0.00 C ATOM 1512 OE1 GLU A 97 6.675 -11.999 -10.992 1.00 0.00 O ATOM 1513 OE2 GLU A 97 6.555 -10.289 -9.687 1.00 0.00 O ATOM 0 H GLU A 97 7.913 -13.840 -9.589 1.00 0.00 H new ATOM 0 HA GLU A 97 5.789 -13.825 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.336 -13.818 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.090 -13.986 -9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.048 -11.659 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.989 -11.732 -8.291 1.00 0.00 H new ATOM 1520 N VAL A 98 5.233 -16.322 -8.120 1.00 0.00 N ATOM 1521 CA VAL A 98 5.286 -17.809 -8.191 1.00 0.00 C ATOM 1522 C VAL A 98 3.869 -18.371 -8.072 1.00 0.00 C ATOM 1523 O VAL A 98 2.908 -17.635 -8.056 1.00 0.00 O ATOM 1524 CB VAL A 98 6.106 -18.316 -7.008 1.00 0.00 C ATOM 1525 CG1 VAL A 98 6.693 -19.687 -7.331 1.00 0.00 C ATOM 1526 CG2 VAL A 98 7.244 -17.339 -6.703 1.00 0.00 C ATOM 0 H VAL A 98 4.405 -15.940 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 98 5.732 -18.122 -9.135 1.00 0.00 H new ATOM 0 HB VAL A 98 5.454 -18.396 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.277 -20.042 -6.482 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.885 -20.390 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.337 -19.610 -8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.824 -17.709 -5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.891 -17.250 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.829 -16.361 -6.458 1.00 0.00 H new ATOM 1536 N GLN A 99 3.737 -19.670 -7.956 1.00 0.00 N ATOM 1537 CA GLN A 99 2.382 -20.275 -7.804 1.00 0.00 C ATOM 1538 C GLN A 99 1.908 -20.029 -6.370 1.00 0.00 C ATOM 1539 O GLN A 99 1.982 -20.892 -5.518 1.00 0.00 O ATOM 1540 CB GLN A 99 2.456 -21.779 -8.072 1.00 0.00 C ATOM 1541 CG GLN A 99 3.523 -22.406 -7.173 1.00 0.00 C ATOM 1542 CD GLN A 99 2.966 -23.678 -6.529 1.00 0.00 C ATOM 1543 OE1 GLN A 99 3.210 -23.942 -5.370 1.00 0.00 O ATOM 1544 NE2 GLN A 99 2.223 -24.482 -7.240 1.00 0.00 N ATOM 0 H GLN A 99 4.510 -20.335 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 99 1.686 -19.827 -8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.487 -22.241 -7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.695 -21.961 -9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.413 -22.641 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.826 -21.698 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.018 -24.259 -8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.847 -25.333 -6.821 1.00 0.00 H new ATOM 1553 N GLY A 100 1.450 -18.842 -6.099 1.00 0.00 N ATOM 1554 CA GLY A 100 0.997 -18.489 -4.727 1.00 0.00 C ATOM 1555 C GLY A 100 1.580 -17.118 -4.384 1.00 0.00 C ATOM 1556 O GLY A 100 1.140 -16.447 -3.471 1.00 0.00 O ATOM 0 H GLY A 100 1.369 -18.088 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.092 -18.465 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.332 -19.238 -4.009 1.00 0.00 H new ATOM 1560 N HIS A 101 2.571 -16.700 -5.129 1.00 0.00 N ATOM 1561 CA HIS A 101 3.204 -15.375 -4.888 1.00 0.00 C ATOM 1562 C HIS A 101 2.641 -14.368 -5.895 1.00 0.00 C ATOM 1563 O HIS A 101 2.773 -13.171 -5.735 1.00 0.00 O ATOM 1564 CB HIS A 101 4.716 -15.509 -5.088 1.00 0.00 C ATOM 1565 CG HIS A 101 5.342 -16.061 -3.837 1.00 0.00 C ATOM 1566 ND1 HIS A 101 5.194 -15.449 -2.603 1.00 0.00 N ATOM 1567 CD2 HIS A 101 6.121 -17.169 -3.615 1.00 0.00 C ATOM 1568 CE1 HIS A 101 5.869 -16.185 -1.701 1.00 0.00 C ATOM 1569 NE2 HIS A 101 6.453 -17.246 -2.265 1.00 0.00 N ATOM 0 H HIS A 101 2.971 -17.230 -5.903 1.00 0.00 H new ATOM 0 HA HIS A 101 2.996 -15.033 -3.874 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.925 -16.166 -5.932 1.00 0.00 H new ATOM 0 HB3 HIS A 101 5.149 -14.538 -5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.430 -17.874 -4.373 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.931 -15.947 -0.649 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.020 -17.959 -1.806 1.00 0.00 H new ATOM 1577 N GLU A 102 2.015 -14.854 -6.934 1.00 0.00 N ATOM 1578 CA GLU A 102 1.439 -13.944 -7.966 1.00 0.00 C ATOM 1579 C GLU A 102 -0.006 -13.595 -7.587 1.00 0.00 C ATOM 1580 O GLU A 102 -0.813 -13.244 -8.424 1.00 0.00 O ATOM 1581 CB GLU A 102 1.477 -14.660 -9.329 1.00 0.00 C ATOM 1582 CG GLU A 102 0.250 -15.571 -9.488 1.00 0.00 C ATOM 1583 CD GLU A 102 -0.741 -14.935 -10.464 1.00 0.00 C ATOM 1584 OE1 GLU A 102 -0.399 -14.807 -11.627 1.00 0.00 O ATOM 1585 OE2 GLU A 102 -1.828 -14.590 -10.031 1.00 0.00 O ATOM 0 H GLU A 102 1.877 -15.849 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 102 2.017 -13.022 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.499 -13.925 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.390 -15.250 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.557 -16.551 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.227 -15.727 -8.520 1.00 0.00 H new ATOM 1592 N SER A 103 -0.334 -13.711 -6.331 1.00 0.00 N ATOM 1593 CA SER A 103 -1.724 -13.417 -5.876 1.00 0.00 C ATOM 1594 C SER A 103 -2.129 -11.976 -6.236 1.00 0.00 C ATOM 1595 O SER A 103 -1.997 -11.549 -7.365 1.00 0.00 O ATOM 1596 CB SER A 103 -1.799 -13.625 -4.363 1.00 0.00 C ATOM 1597 OG SER A 103 -0.930 -12.705 -3.717 1.00 0.00 O ATOM 0 H SER A 103 0.307 -14.000 -5.592 1.00 0.00 H new ATOM 0 HA SER A 103 -2.417 -14.091 -6.380 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.822 -13.482 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.517 -14.647 -4.111 1.00 0.00 H new ATOM 0 HG SER A 103 -0.978 -12.836 -2.747 1.00 0.00 H new ATOM 1603 N GLU A 104 -2.645 -11.233 -5.288 1.00 0.00 N ATOM 1604 CA GLU A 104 -3.088 -9.834 -5.566 1.00 0.00 C ATOM 1605 C GLU A 104 -2.110 -9.117 -6.502 1.00 0.00 C ATOM 1606 O GLU A 104 -2.477 -8.175 -7.170 1.00 0.00 O ATOM 1607 CB GLU A 104 -3.175 -9.064 -4.249 1.00 0.00 C ATOM 1608 CG GLU A 104 -4.420 -9.510 -3.483 1.00 0.00 C ATOM 1609 CD GLU A 104 -4.632 -8.597 -2.275 1.00 0.00 C ATOM 1610 OE1 GLU A 104 -3.702 -8.445 -1.501 1.00 0.00 O ATOM 1611 OE2 GLU A 104 -5.722 -8.063 -2.146 1.00 0.00 O ATOM 0 H GLU A 104 -2.779 -11.540 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.063 -9.873 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.282 -9.243 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.218 -7.992 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.293 -9.476 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.307 -10.543 -3.155 1.00 0.00 H new ATOM 1618 N THR A 105 -0.874 -9.526 -6.546 1.00 0.00 N ATOM 1619 CA THR A 105 0.100 -8.829 -7.436 1.00 0.00 C ATOM 1620 C THR A 105 -0.212 -9.129 -8.906 1.00 0.00 C ATOM 1621 O THR A 105 -0.491 -8.238 -9.687 1.00 0.00 O ATOM 1622 CB THR A 105 1.518 -9.301 -7.107 1.00 0.00 C ATOM 1623 OG1 THR A 105 1.697 -9.310 -5.698 1.00 0.00 O ATOM 1624 CG2 THR A 105 2.535 -8.355 -7.748 1.00 0.00 C ATOM 0 H THR A 105 -0.496 -10.307 -6.009 1.00 0.00 H new ATOM 0 HA THR A 105 0.022 -7.754 -7.272 1.00 0.00 H new ATOM 0 HB THR A 105 1.666 -10.307 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.604 -9.614 -5.485 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.544 -8.692 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.397 -8.350 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.390 -7.347 -7.359 1.00 0.00 H new ATOM 1632 N PHE A 106 -0.162 -10.371 -9.300 1.00 0.00 N ATOM 1633 CA PHE A 106 -0.451 -10.698 -10.723 1.00 0.00 C ATOM 1634 C PHE A 106 -1.886 -10.279 -11.037 1.00 0.00 C ATOM 1635 O PHE A 106 -2.149 -9.588 -12.002 1.00 0.00 O ATOM 1636 CB PHE A 106 -0.294 -12.201 -10.937 1.00 0.00 C ATOM 1637 CG PHE A 106 0.435 -12.454 -12.238 1.00 0.00 C ATOM 1638 CD1 PHE A 106 1.830 -12.331 -12.290 1.00 0.00 C ATOM 1639 CD2 PHE A 106 -0.278 -12.819 -13.386 1.00 0.00 C ATOM 1640 CE1 PHE A 106 2.510 -12.572 -13.490 1.00 0.00 C ATOM 1641 CE2 PHE A 106 0.404 -13.060 -14.587 1.00 0.00 C ATOM 1642 CZ PHE A 106 1.798 -12.936 -14.638 1.00 0.00 C ATOM 0 H PHE A 106 0.064 -11.167 -8.704 1.00 0.00 H new ATOM 0 HA PHE A 106 0.240 -10.170 -11.380 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.259 -12.641 -10.107 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.273 -12.680 -10.958 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.381 -12.050 -11.404 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.353 -12.915 -13.347 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.585 -12.477 -13.529 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.146 -13.341 -15.473 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.323 -13.121 -15.563 1.00 0.00 H new ATOM 1652 N ARG A 107 -2.818 -10.683 -10.216 1.00 0.00 N ATOM 1653 CA ARG A 107 -4.234 -10.298 -10.453 1.00 0.00 C ATOM 1654 C ARG A 107 -4.350 -8.775 -10.381 1.00 0.00 C ATOM 1655 O ARG A 107 -5.218 -8.180 -10.988 1.00 0.00 O ATOM 1656 CB ARG A 107 -5.124 -10.933 -9.383 1.00 0.00 C ATOM 1657 CG ARG A 107 -6.590 -10.617 -9.685 1.00 0.00 C ATOM 1658 CD ARG A 107 -7.471 -11.152 -8.554 1.00 0.00 C ATOM 1659 NE ARG A 107 -8.496 -10.129 -8.198 1.00 0.00 N ATOM 1660 CZ ARG A 107 -9.584 -10.488 -7.572 1.00 0.00 C ATOM 1661 NH1 ARG A 107 -9.553 -11.483 -6.728 1.00 0.00 N ATOM 1662 NH2 ARG A 107 -10.702 -9.850 -7.789 1.00 0.00 N ATOM 0 H ARG A 107 -2.657 -11.263 -9.392 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.554 -10.647 -11.435 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.971 -12.012 -9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.854 -10.552 -8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.727 -9.541 -9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.883 -11.069 -10.633 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.957 -12.077 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.860 -11.389 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.347 -9.150 -8.443 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.679 -11.980 -6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.403 -11.764 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.725 -9.071 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.552 -10.130 -7.300 1.00 0.00 H new ATOM 1676 N ALA A 108 -3.474 -8.137 -9.649 1.00 0.00 N ATOM 1677 CA ALA A 108 -3.533 -6.652 -9.555 1.00 0.00 C ATOM 1678 C ALA A 108 -3.424 -6.078 -10.963 1.00 0.00 C ATOM 1679 O ALA A 108 -4.242 -5.286 -11.389 1.00 0.00 O ATOM 1680 CB ALA A 108 -2.376 -6.131 -8.698 1.00 0.00 C ATOM 0 H ALA A 108 -2.725 -8.579 -9.116 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.472 -6.348 -9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.430 -5.044 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.446 -6.555 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.428 -6.423 -9.150 1.00 0.00 H new ATOM 1686 N TYR A 109 -2.427 -6.489 -11.697 1.00 0.00 N ATOM 1687 CA TYR A 109 -2.275 -5.984 -13.089 1.00 0.00 C ATOM 1688 C TYR A 109 -3.380 -6.592 -13.955 1.00 0.00 C ATOM 1689 O TYR A 109 -3.671 -6.119 -15.035 1.00 0.00 O ATOM 1690 CB TYR A 109 -0.907 -6.397 -13.638 1.00 0.00 C ATOM 1691 CG TYR A 109 0.176 -5.933 -12.694 1.00 0.00 C ATOM 1692 CD1 TYR A 109 0.209 -4.602 -12.265 1.00 0.00 C ATOM 1693 CD2 TYR A 109 1.149 -6.837 -12.247 1.00 0.00 C ATOM 1694 CE1 TYR A 109 1.214 -4.173 -11.389 1.00 0.00 C ATOM 1695 CE2 TYR A 109 2.152 -6.409 -11.372 1.00 0.00 C ATOM 1696 CZ TYR A 109 2.186 -5.076 -10.943 1.00 0.00 C ATOM 1697 OH TYR A 109 3.176 -4.653 -10.080 1.00 0.00 O ATOM 0 H TYR A 109 -1.713 -7.151 -11.393 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.350 -4.897 -13.100 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.862 -7.480 -13.755 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.754 -5.963 -14.626 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -0.541 -3.905 -12.609 1.00 0.00 H new ATOM 0 HD2 TYR A 109 1.124 -7.865 -12.578 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.239 -3.145 -11.058 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.901 -7.106 -11.027 1.00 0.00 H new ATOM 0 HH TYR A 109 3.959 -5.235 -10.170 1.00 0.00 H new ATOM 1707 N PHE A 110 -3.998 -7.641 -13.481 1.00 0.00 N ATOM 1708 CA PHE A 110 -5.087 -8.288 -14.264 1.00 0.00 C ATOM 1709 C PHE A 110 -6.435 -7.999 -13.601 1.00 0.00 C ATOM 1710 O PHE A 110 -6.862 -8.703 -12.709 1.00 0.00 O ATOM 1711 CB PHE A 110 -4.865 -9.800 -14.297 1.00 0.00 C ATOM 1712 CG PHE A 110 -3.897 -10.148 -15.401 1.00 0.00 C ATOM 1713 CD1 PHE A 110 -2.527 -9.916 -15.229 1.00 0.00 C ATOM 1714 CD2 PHE A 110 -4.369 -10.709 -16.593 1.00 0.00 C ATOM 1715 CE1 PHE A 110 -1.630 -10.245 -16.251 1.00 0.00 C ATOM 1716 CE2 PHE A 110 -3.471 -11.039 -17.614 1.00 0.00 C ATOM 1717 CZ PHE A 110 -2.102 -10.806 -17.443 1.00 0.00 C ATOM 0 H PHE A 110 -3.794 -8.078 -12.582 1.00 0.00 H new ATOM 0 HA PHE A 110 -5.082 -7.892 -15.279 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.475 -10.141 -13.338 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.813 -10.313 -14.457 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -2.163 -9.484 -14.309 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -5.426 -10.887 -16.725 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.573 -10.066 -16.120 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.834 -11.473 -18.534 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.409 -11.059 -18.232 1.00 0.00 H new ATOM 1727 N LYS A 111 -7.112 -6.972 -14.032 1.00 0.00 N ATOM 1728 CA LYS A 111 -8.432 -6.646 -13.425 1.00 0.00 C ATOM 1729 C LYS A 111 -9.528 -7.450 -14.131 1.00 0.00 C ATOM 1730 O LYS A 111 -10.425 -6.895 -14.735 1.00 0.00 O ATOM 1731 CB LYS A 111 -8.713 -5.150 -13.584 1.00 0.00 C ATOM 1732 CG LYS A 111 -8.921 -4.824 -15.065 1.00 0.00 C ATOM 1733 CD LYS A 111 -7.871 -3.807 -15.515 1.00 0.00 C ATOM 1734 CE LYS A 111 -8.365 -3.086 -16.771 1.00 0.00 C ATOM 1735 NZ LYS A 111 -8.635 -1.656 -16.450 1.00 0.00 N ATOM 0 H LYS A 111 -6.809 -6.345 -14.777 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.418 -6.901 -12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.598 -4.873 -13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -7.881 -4.569 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.843 -5.732 -15.663 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -9.922 -4.423 -15.223 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.683 -3.086 -14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.926 -4.310 -15.719 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.618 -3.157 -17.562 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.271 -3.563 -17.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.971 -1.166 -17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.362 -1.598 -15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -7.761 -1.205 -16.113 1.00 0.00 H new ATOM 1749 N GLN A 112 -9.462 -8.752 -14.062 1.00 0.00 N ATOM 1750 CA GLN A 112 -10.501 -9.585 -14.732 1.00 0.00 C ATOM 1751 C GLN A 112 -10.452 -11.014 -14.184 1.00 0.00 C ATOM 1752 O GLN A 112 -11.261 -11.403 -13.366 1.00 0.00 O ATOM 1753 CB GLN A 112 -10.241 -9.608 -16.240 1.00 0.00 C ATOM 1754 CG GLN A 112 -11.114 -8.555 -16.926 1.00 0.00 C ATOM 1755 CD GLN A 112 -11.093 -8.781 -18.439 1.00 0.00 C ATOM 1756 OE1 GLN A 112 -11.671 -9.729 -18.932 1.00 0.00 O ATOM 1757 NE2 GLN A 112 -10.446 -7.943 -19.201 1.00 0.00 N ATOM 0 H GLN A 112 -8.735 -9.274 -13.572 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.485 -9.159 -14.537 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.188 -9.410 -16.441 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.462 -10.597 -16.643 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.136 -8.616 -16.553 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.748 -7.555 -16.692 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.961 -7.147 -18.787 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.425 -8.084 -20.211 1.00 0.00 H new ATOM 1766 N GLY A 113 -9.511 -11.801 -14.632 1.00 0.00 N ATOM 1767 CA GLY A 113 -9.414 -13.204 -14.139 1.00 0.00 C ATOM 1768 C GLY A 113 -8.237 -13.903 -14.822 1.00 0.00 C ATOM 1769 O GLY A 113 -8.087 -13.854 -16.027 1.00 0.00 O ATOM 0 H GLY A 113 -8.806 -11.532 -15.318 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.278 -13.212 -13.058 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.340 -13.739 -14.348 1.00 0.00 H new ATOM 1773 N LEU A 114 -7.397 -14.549 -14.061 1.00 0.00 N ATOM 1774 CA LEU A 114 -6.226 -15.245 -14.666 1.00 0.00 C ATOM 1775 C LEU A 114 -6.549 -16.727 -14.875 1.00 0.00 C ATOM 1776 O LEU A 114 -6.611 -17.495 -13.935 1.00 0.00 O ATOM 1777 CB LEU A 114 -5.020 -15.124 -13.732 1.00 0.00 C ATOM 1778 CG LEU A 114 -4.804 -13.658 -13.355 1.00 0.00 C ATOM 1779 CD1 LEU A 114 -3.553 -13.533 -12.484 1.00 0.00 C ATOM 1780 CD2 LEU A 114 -4.619 -12.829 -14.626 1.00 0.00 C ATOM 0 H LEU A 114 -7.471 -14.625 -13.047 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.998 -14.784 -15.627 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.182 -15.720 -12.834 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.129 -15.519 -14.220 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.670 -13.294 -12.803 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.399 -12.488 -12.216 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.680 -14.125 -11.578 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.687 -13.897 -13.037 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.465 -11.783 -14.359 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.752 -13.195 -15.176 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.508 -12.917 -15.250 1.00 0.00 H new ATOM 1792 N ILE A 115 -6.741 -17.140 -16.098 1.00 0.00 N ATOM 1793 CA ILE A 115 -7.040 -18.577 -16.358 1.00 0.00 C ATOM 1794 C ILE A 115 -5.724 -19.358 -16.320 1.00 0.00 C ATOM 1795 O ILE A 115 -4.652 -18.788 -16.372 1.00 0.00 O ATOM 1796 CB ILE A 115 -7.719 -18.720 -17.733 1.00 0.00 C ATOM 1797 CG1 ILE A 115 -9.236 -18.639 -17.552 1.00 0.00 C ATOM 1798 CG2 ILE A 115 -7.363 -20.068 -18.378 1.00 0.00 C ATOM 1799 CD1 ILE A 115 -9.745 -19.947 -16.938 1.00 0.00 C ATOM 0 H ILE A 115 -6.704 -16.546 -16.927 1.00 0.00 H new ATOM 0 HA ILE A 115 -7.717 -18.971 -15.600 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.369 -17.917 -18.382 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -9.492 -17.798 -16.908 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.719 -18.463 -18.513 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.853 -20.148 -19.348 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.283 -20.134 -18.511 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -7.700 -20.880 -17.733 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.826 -19.892 -16.808 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.501 -20.778 -17.599 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.271 -20.103 -15.969 1.00 0.00 H new ATOM 1811 N TYR A 116 -5.791 -20.657 -16.224 1.00 0.00 N ATOM 1812 CA TYR A 116 -4.536 -21.454 -16.176 1.00 0.00 C ATOM 1813 C TYR A 116 -4.669 -22.697 -17.061 1.00 0.00 C ATOM 1814 O TYR A 116 -5.652 -23.410 -17.005 1.00 0.00 O ATOM 1815 CB TYR A 116 -4.262 -21.880 -14.733 1.00 0.00 C ATOM 1816 CG TYR A 116 -4.219 -20.659 -13.847 1.00 0.00 C ATOM 1817 CD1 TYR A 116 -3.109 -19.807 -13.882 1.00 0.00 C ATOM 1818 CD2 TYR A 116 -5.289 -20.379 -12.987 1.00 0.00 C ATOM 1819 CE1 TYR A 116 -3.068 -18.675 -13.059 1.00 0.00 C ATOM 1820 CE2 TYR A 116 -5.249 -19.247 -12.164 1.00 0.00 C ATOM 1821 CZ TYR A 116 -4.138 -18.395 -12.200 1.00 0.00 C ATOM 1822 OH TYR A 116 -4.098 -17.279 -11.389 1.00 0.00 O ATOM 0 H TYR A 116 -6.655 -21.197 -16.177 1.00 0.00 H new ATOM 0 HA TYR A 116 -3.710 -20.845 -16.543 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.039 -22.564 -14.391 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -3.316 -22.418 -14.675 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -2.284 -20.023 -14.544 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -6.145 -21.037 -12.959 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -2.211 -18.018 -13.087 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -6.074 -19.031 -11.502 1.00 0.00 H new ATOM 0 HH TYR A 116 -4.919 -17.232 -10.857 1.00 0.00 H new ATOM 1832 N LYS A 117 -3.680 -22.963 -17.872 1.00 0.00 N ATOM 1833 CA LYS A 117 -3.738 -24.160 -18.757 1.00 0.00 C ATOM 1834 C LYS A 117 -2.597 -25.116 -18.384 1.00 0.00 C ATOM 1835 O LYS A 117 -1.916 -24.924 -17.397 1.00 0.00 O ATOM 1836 CB LYS A 117 -3.596 -23.725 -20.217 1.00 0.00 C ATOM 1837 CG LYS A 117 -4.945 -23.219 -20.732 1.00 0.00 C ATOM 1838 CD LYS A 117 -5.874 -24.406 -20.985 1.00 0.00 C ATOM 1839 CE LYS A 117 -6.909 -24.493 -19.861 1.00 0.00 C ATOM 1840 NZ LYS A 117 -7.346 -25.908 -19.696 1.00 0.00 N ATOM 0 H LYS A 117 -2.833 -22.401 -17.959 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.694 -24.668 -18.629 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.845 -22.940 -20.302 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.253 -24.562 -20.825 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.393 -22.542 -20.004 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.805 -22.651 -21.652 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.374 -24.291 -21.946 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -5.297 -25.329 -21.034 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.482 -24.122 -18.929 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.766 -23.861 -20.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -8.049 -25.967 -18.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.769 -26.246 -20.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.525 -26.499 -19.457 1.00 0.00 H new ATOM 1854 N GLN A 118 -2.386 -26.147 -19.159 1.00 0.00 N ATOM 1855 CA GLN A 118 -1.292 -27.111 -18.835 1.00 0.00 C ATOM 1856 C GLN A 118 0.010 -26.682 -19.521 1.00 0.00 C ATOM 1857 O GLN A 118 0.047 -26.445 -20.711 1.00 0.00 O ATOM 1858 CB GLN A 118 -1.686 -28.508 -19.319 1.00 0.00 C ATOM 1859 CG GLN A 118 -3.173 -28.742 -19.046 1.00 0.00 C ATOM 1860 CD GLN A 118 -3.480 -28.426 -17.582 1.00 0.00 C ATOM 1861 OE1 GLN A 118 -2.586 -28.696 -16.669 1.00 0.00 O flip ATOM 1862 NE2 GLN A 118 -4.542 -27.929 -17.264 1.00 0.00 N flip ATOM 0 H GLN A 118 -2.922 -26.363 -20.000 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.137 -27.124 -17.756 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -1.481 -28.606 -20.385 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.088 -29.263 -18.809 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.777 -28.112 -19.699 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.436 -29.776 -19.268 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -5.240 -27.718 -17.977 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -4.735 -27.723 -16.284 1.00 0.00 H new ATOM 1871 N GLY A 119 1.080 -26.592 -18.777 1.00 0.00 N ATOM 1872 CA GLY A 119 2.384 -26.185 -19.380 1.00 0.00 C ATOM 1873 C GLY A 119 2.764 -27.166 -20.492 1.00 0.00 C ATOM 1874 O GLY A 119 1.918 -27.806 -21.082 1.00 0.00 O ATOM 0 H GLY A 119 1.108 -26.783 -17.775 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.311 -25.175 -19.782 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.160 -26.168 -18.615 1.00 0.00 H new ATOM 1878 N GLY A 120 4.033 -27.289 -20.784 1.00 0.00 N ATOM 1879 CA GLY A 120 4.459 -28.228 -21.859 1.00 0.00 C ATOM 1880 C GLY A 120 3.726 -27.884 -23.157 1.00 0.00 C ATOM 1881 O GLY A 120 2.755 -28.517 -23.520 1.00 0.00 O ATOM 0 H GLY A 120 4.789 -26.781 -20.325 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.537 -28.161 -22.009 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.241 -29.255 -21.567 1.00 0.00 H new ATOM 1885 N VAL A 121 4.182 -26.881 -23.856 1.00 0.00 N ATOM 1886 CA VAL A 121 3.510 -26.493 -25.129 1.00 0.00 C ATOM 1887 C VAL A 121 4.075 -27.327 -26.280 1.00 0.00 C ATOM 1888 O VAL A 121 3.826 -27.063 -27.440 1.00 0.00 O ATOM 1889 CB VAL A 121 3.732 -24.989 -25.365 1.00 0.00 C ATOM 1890 CG1 VAL A 121 4.828 -24.742 -26.412 1.00 0.00 C ATOM 1891 CG2 VAL A 121 2.424 -24.352 -25.841 1.00 0.00 C ATOM 0 H VAL A 121 4.990 -26.314 -23.601 1.00 0.00 H new ATOM 0 HA VAL A 121 2.438 -26.684 -25.071 1.00 0.00 H new ATOM 0 HB VAL A 121 4.051 -24.540 -24.425 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.960 -23.669 -26.555 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.765 -25.180 -26.068 1.00 0.00 H new ATOM 0 HG13 VAL A 121 4.538 -25.201 -27.357 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.578 -23.286 -26.009 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.107 -24.824 -26.771 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.654 -24.492 -25.082 1.00 0.00 H new ATOM 1901 N ALA A 122 4.832 -28.327 -25.957 1.00 0.00 N ATOM 1902 CA ALA A 122 5.425 -29.193 -27.014 1.00 0.00 C ATOM 1903 C ALA A 122 4.372 -30.182 -27.515 1.00 0.00 C ATOM 1904 O ALA A 122 3.809 -30.019 -28.579 1.00 0.00 O ATOM 1905 CB ALA A 122 6.613 -29.964 -26.434 1.00 0.00 C ATOM 0 H ALA A 122 5.071 -28.588 -25.000 1.00 0.00 H new ATOM 0 HA ALA A 122 5.764 -28.572 -27.844 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.048 -30.598 -27.207 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.365 -29.260 -26.077 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.274 -30.584 -25.604 1.00 0.00 H new ATOM 1911 N SER A 123 4.101 -31.209 -26.756 1.00 0.00 N ATOM 1912 CA SER A 123 3.084 -32.209 -27.190 1.00 0.00 C ATOM 1913 C SER A 123 3.173 -33.447 -26.298 1.00 0.00 C ATOM 1914 O SER A 123 2.199 -34.139 -26.080 1.00 0.00 O ATOM 1915 CB SER A 123 3.348 -32.606 -28.643 1.00 0.00 C ATOM 1916 OG SER A 123 2.204 -32.301 -29.428 1.00 0.00 O ATOM 0 H SER A 123 4.540 -31.399 -25.855 1.00 0.00 H new ATOM 0 HA SER A 123 2.088 -31.774 -27.108 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.218 -32.073 -29.025 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.573 -33.671 -28.706 1.00 0.00 H new ATOM 0 HG SER A 123 2.144 -31.331 -29.556 1.00 0.00 H new ATOM 1922 N GLY A 124 4.337 -33.734 -25.780 1.00 0.00 N ATOM 1923 CA GLY A 124 4.487 -34.929 -24.901 1.00 0.00 C ATOM 1924 C GLY A 124 5.583 -34.669 -23.867 1.00 0.00 C ATOM 1925 O GLY A 124 5.319 -34.531 -22.690 1.00 0.00 O ATOM 0 H GLY A 124 5.189 -33.193 -25.927 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.544 -35.145 -24.400 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.738 -35.805 -25.500 1.00 0.00 H new ATOM 1929 N MET A 125 6.814 -34.600 -24.298 1.00 0.00 N ATOM 1930 CA MET A 125 7.926 -34.348 -23.339 1.00 0.00 C ATOM 1931 C MET A 125 8.676 -33.079 -23.750 1.00 0.00 C ATOM 1932 O MET A 125 8.113 -32.175 -24.331 1.00 0.00 O ATOM 1933 CB MET A 125 8.888 -35.537 -23.351 1.00 0.00 C ATOM 1934 CG MET A 125 8.095 -36.836 -23.504 1.00 0.00 C ATOM 1935 SD MET A 125 6.811 -36.912 -22.230 1.00 0.00 S ATOM 1936 CE MET A 125 6.478 -38.687 -22.350 1.00 0.00 C ATOM 0 H MET A 125 7.097 -34.707 -25.272 1.00 0.00 H new ATOM 0 HA MET A 125 7.520 -34.220 -22.336 1.00 0.00 H new ATOM 0 HB2 MET A 125 9.599 -35.434 -24.171 1.00 0.00 H new ATOM 0 HB3 MET A 125 9.467 -35.559 -22.428 1.00 0.00 H new ATOM 0 HG2 MET A 125 7.643 -36.884 -24.495 1.00 0.00 H new ATOM 0 HG3 MET A 125 8.761 -37.694 -23.416 1.00 0.00 H new ATOM 0 HE1 MET A 125 5.700 -38.960 -21.637 1.00 0.00 H new ATOM 0 HE2 MET A 125 6.145 -38.927 -23.360 1.00 0.00 H new ATOM 0 HE3 MET A 125 7.388 -39.244 -22.126 1.00 0.00 H new ATOM 1946 N LYS A 126 9.945 -33.007 -23.452 1.00 0.00 N ATOM 1947 CA LYS A 126 10.728 -31.796 -23.826 1.00 0.00 C ATOM 1948 C LYS A 126 10.386 -31.390 -25.261 1.00 0.00 C ATOM 1949 O LYS A 126 10.568 -30.228 -25.586 1.00 0.00 O ATOM 1950 CB LYS A 126 12.224 -32.107 -23.726 1.00 0.00 C ATOM 1951 CG LYS A 126 13.026 -30.967 -24.357 1.00 0.00 C ATOM 1952 CD LYS A 126 13.369 -31.323 -25.805 1.00 0.00 C ATOM 1953 CE LYS A 126 14.360 -32.488 -25.824 1.00 0.00 C ATOM 1954 NZ LYS A 126 14.775 -32.764 -27.228 1.00 0.00 N ATOM 1955 OXT LYS A 126 9.948 -32.247 -26.009 1.00 0.00 O ATOM 0 H LYS A 126 10.472 -33.733 -22.967 1.00 0.00 H new ATOM 0 HA LYS A 126 10.480 -30.979 -23.149 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.511 -32.233 -22.682 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.446 -33.046 -24.233 1.00 0.00 H new ATOM 0 HG2 LYS A 126 12.450 -30.042 -24.326 1.00 0.00 H new ATOM 0 HG3 LYS A 126 13.939 -30.793 -23.788 1.00 0.00 H new ATOM 0 HD2 LYS A 126 12.464 -31.593 -26.348 1.00 0.00 H new ATOM 0 HD3 LYS A 126 13.798 -30.458 -26.311 1.00 0.00 H new ATOM 0 HE2 LYS A 126 15.232 -32.247 -25.216 1.00 0.00 H new ATOM 0 HE3 LYS A 126 13.902 -33.376 -25.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 15.449 -33.556 -27.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 13.939 -33.011 -27.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 15.227 -31.918 -27.629 1.00 0.00 H new TER 1969 LYS A 126