USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 ASN : amide:sc= -0.212 K(o=-6.9,f=-9) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -4.1! C(o=-6.9!,f=-10!) USER MOD Set 2.3: A 69 THR OG1 : rot 180:sc= -0.123 USER MOD Set 2.4: A 89 ASN : amide:sc= -2.46! K(o=-6.9!,f=-8) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.813 K(o=1.7,f=-1.9) USER MOD Set 3.2: A 71 THR OG1 : rot -137:sc= 0.928 USER MOD Single : A 7 ASN : amide:sc=-0.00696 X(o=-0.007,f=-0.36) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.16 K(o=1.2,f=-5.9!) USER MOD Single : A 29 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 31 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.0809 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.8! C(o=-5.5!,f=-1.8!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.652 K(o=0.65,f=-6!) USER MOD Single : A 45 ASN : amide:sc= -5.34! C(o=-5.3!,f=-7.6!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -150:sc= -0.15 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -158:sc= 0.615 USER MOD Single : A 73 SER OG : rot -146:sc= 0.0896 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.618 K(o=0.62,f=-2.3!) USER MOD Single : A 84 SER OG : rot -3:sc= -0.863 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 178:sc= -2.65 (180deg=-2.73) USER MOD Single : A 90 TYR OH : rot 164:sc= 1.4 USER MOD Single : A 94 ASN : amide:sc= -1.32! K(o=-1.3!,f=-3.6) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.447 -4.066 -1.407 1.00 0.00 N ATOM 34 CA CYS A 3 10.527 -4.952 -0.710 1.00 0.00 C ATOM 35 C CYS A 3 9.699 -5.782 -1.697 1.00 0.00 C ATOM 36 O CYS A 3 9.976 -6.962 -1.895 1.00 0.00 O ATOM 37 CB CYS A 3 9.625 -4.132 0.209 1.00 0.00 C ATOM 38 SG CYS A 3 10.515 -3.305 1.569 1.00 0.00 S ATOM 0 HA CYS A 3 11.105 -5.652 -0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.106 -3.379 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.862 -4.786 0.631 1.00 0.00 H new ATOM 42 N ASN A 4 8.698 -5.157 -2.324 1.00 0.00 N ATOM 43 CA ASN A 4 7.838 -5.828 -3.315 1.00 0.00 C ATOM 44 C ASN A 4 7.045 -6.990 -2.710 1.00 0.00 C ATOM 45 O ASN A 4 7.453 -8.145 -2.813 1.00 0.00 O ATOM 46 CB ASN A 4 8.681 -6.342 -4.499 1.00 0.00 C ATOM 47 CG ASN A 4 9.429 -5.237 -5.216 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.909 -4.615 -6.137 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.665 -5.001 -4.806 1.00 0.00 N ATOM 0 H ASN A 4 8.459 -4.179 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 4 7.122 -5.084 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.396 -7.081 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.029 -6.851 -5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.224 -4.278 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.059 -5.542 -4.036 1.00 0.00 H new ATOM 55 N PHE A 5 5.902 -6.693 -2.093 1.00 0.00 N ATOM 56 CA PHE A 5 5.070 -7.743 -1.499 1.00 0.00 C ATOM 57 C PHE A 5 4.527 -8.693 -2.573 1.00 0.00 C ATOM 58 O PHE A 5 4.451 -9.904 -2.370 1.00 0.00 O ATOM 59 CB PHE A 5 3.909 -7.131 -0.697 1.00 0.00 C ATOM 60 CG PHE A 5 2.759 -6.628 -1.531 1.00 0.00 C ATOM 61 CD1 PHE A 5 2.929 -5.588 -2.431 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.505 -7.207 -1.414 1.00 0.00 C ATOM 63 CE1 PHE A 5 1.872 -5.134 -3.196 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.444 -6.758 -2.177 1.00 0.00 C ATOM 65 CZ PHE A 5 0.627 -5.720 -3.069 1.00 0.00 C ATOM 0 H PHE A 5 5.533 -5.748 -1.991 1.00 0.00 H new ATOM 0 HA PHE A 5 5.699 -8.318 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.533 -7.880 0.000 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.295 -6.305 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.900 -5.127 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.355 -8.019 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.019 -4.322 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.528 -7.219 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.201 -5.367 -3.666 1.00 0.00 H new ATOM 74 N ALA A 6 4.191 -8.130 -3.731 1.00 0.00 N ATOM 75 CA ALA A 6 3.636 -8.886 -4.850 1.00 0.00 C ATOM 76 C ALA A 6 4.611 -9.926 -5.386 1.00 0.00 C ATOM 77 O ALA A 6 4.203 -10.883 -6.041 1.00 0.00 O ATOM 78 CB ALA A 6 3.223 -7.937 -5.958 1.00 0.00 C ATOM 0 H ALA A 6 4.296 -7.133 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 6 2.763 -9.424 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.810 -8.507 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.469 -7.245 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.093 -7.376 -6.299 1.00 0.00 H new ATOM 84 N ASN A 7 5.893 -9.735 -5.095 1.00 0.00 N ATOM 85 CA ASN A 7 6.945 -10.637 -5.560 1.00 0.00 C ATOM 86 C ASN A 7 6.633 -12.087 -5.204 1.00 0.00 C ATOM 87 O ASN A 7 6.984 -13.010 -5.935 1.00 0.00 O ATOM 88 CB ASN A 7 8.276 -10.237 -4.935 1.00 0.00 C ATOM 89 CG ASN A 7 9.435 -10.374 -5.898 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.418 -11.204 -6.803 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.450 -9.551 -5.709 1.00 0.00 N ATOM 0 H ASN A 7 6.233 -8.955 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 7 7.002 -10.557 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.215 -9.205 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.462 -10.856 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.260 -9.590 -6.327 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.424 -8.876 -4.945 1.00 0.00 H new ATOM 97 N SER A 8 5.971 -12.281 -4.075 1.00 0.00 N ATOM 98 CA SER A 8 5.608 -13.615 -3.632 1.00 0.00 C ATOM 99 C SER A 8 4.193 -13.616 -3.064 1.00 0.00 C ATOM 100 O SER A 8 3.900 -14.330 -2.109 1.00 0.00 O ATOM 101 CB SER A 8 6.607 -14.109 -2.579 1.00 0.00 C ATOM 102 OG SER A 8 7.938 -14.040 -3.067 1.00 0.00 O ATOM 0 H SER A 8 5.675 -11.532 -3.450 1.00 0.00 H new ATOM 0 HA SER A 8 5.638 -14.291 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.516 -13.506 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.370 -15.136 -2.302 1.00 0.00 H new ATOM 0 HG SER A 8 8.556 -14.359 -2.377 1.00 0.00 H new ATOM 107 N CYS A 9 3.316 -12.813 -3.655 1.00 0.00 N ATOM 108 CA CYS A 9 1.936 -12.736 -3.187 1.00 0.00 C ATOM 109 C CYS A 9 0.956 -12.925 -4.337 1.00 0.00 C ATOM 110 O CYS A 9 1.136 -12.358 -5.416 1.00 0.00 O ATOM 111 CB CYS A 9 1.668 -11.392 -2.506 1.00 0.00 C ATOM 112 SG CYS A 9 0.917 -11.531 -0.852 1.00 0.00 S ATOM 0 H CYS A 9 3.531 -12.212 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 9 1.791 -13.539 -2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.608 -10.846 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.011 -10.799 -3.143 1.00 0.00 H new ATOM 116 N THR A 10 -0.067 -13.735 -4.107 1.00 0.00 N ATOM 117 CA THR A 10 -1.085 -13.989 -5.113 1.00 0.00 C ATOM 118 C THR A 10 -2.474 -13.860 -4.505 1.00 0.00 C ATOM 119 O THR A 10 -2.628 -13.899 -3.282 1.00 0.00 O ATOM 120 CB THR A 10 -0.936 -15.392 -5.733 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.880 -16.387 -4.703 1.00 0.00 O ATOM 122 CG2 THR A 10 0.311 -15.478 -6.592 1.00 0.00 C ATOM 0 H THR A 10 -0.213 -14.230 -3.227 1.00 0.00 H new ATOM 0 HA THR A 10 -0.953 -13.246 -5.900 1.00 0.00 H new ATOM 0 HB THR A 10 -1.806 -15.573 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.787 -17.274 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.392 -16.478 -7.017 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.250 -14.746 -7.397 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.189 -15.272 -5.980 1.00 0.00 H new ATOM 130 N GLY A 11 -3.478 -13.710 -5.363 1.00 0.00 N ATOM 131 CA GLY A 11 -4.849 -13.580 -4.902 1.00 0.00 C ATOM 132 C GLY A 11 -5.043 -12.376 -4.004 1.00 0.00 C ATOM 133 O GLY A 11 -5.521 -12.507 -2.874 1.00 0.00 O ATOM 0 H GLY A 11 -3.365 -13.676 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.513 -13.499 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.135 -14.483 -4.362 1.00 0.00 H new ATOM 137 N VAL A 12 -4.668 -11.204 -4.500 1.00 0.00 N ATOM 138 CA VAL A 12 -4.799 -9.979 -3.725 1.00 0.00 C ATOM 139 C VAL A 12 -6.092 -9.245 -4.065 1.00 0.00 C ATOM 140 O VAL A 12 -6.498 -9.180 -5.228 1.00 0.00 O ATOM 141 CB VAL A 12 -3.590 -9.037 -3.932 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.311 -9.696 -3.438 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.450 -8.630 -5.392 1.00 0.00 C ATOM 0 H VAL A 12 -4.272 -11.077 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.827 -10.272 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.766 -8.133 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.470 -9.019 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.405 -9.923 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.140 -10.619 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.591 -7.968 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.305 -9.519 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.353 -8.111 -5.713 1.00 0.00 H new ATOM 153 N GLU A 13 -6.747 -8.720 -3.039 1.00 0.00 N ATOM 154 CA GLU A 13 -7.995 -7.984 -3.208 1.00 0.00 C ATOM 155 C GLU A 13 -7.986 -6.705 -2.385 1.00 0.00 C ATOM 156 O GLU A 13 -7.489 -6.687 -1.258 1.00 0.00 O ATOM 157 CB GLU A 13 -9.190 -8.852 -2.805 1.00 0.00 C ATOM 158 CG GLU A 13 -9.616 -9.839 -3.875 1.00 0.00 C ATOM 159 CD GLU A 13 -10.321 -9.173 -5.039 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.641 -8.571 -5.893 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.570 -9.240 -5.105 1.00 0.00 O ATOM 0 H GLU A 13 -6.432 -8.791 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.088 -7.720 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.940 -9.400 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.033 -8.205 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.738 -10.370 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.278 -10.584 -3.433 1.00 0.00 H new ATOM 166 N LEU A 14 -8.530 -5.641 -2.961 1.00 0.00 N ATOM 167 CA LEU A 14 -8.600 -4.353 -2.290 1.00 0.00 C ATOM 168 C LEU A 14 -10.041 -3.885 -2.157 1.00 0.00 C ATOM 169 O LEU A 14 -10.728 -3.650 -3.153 1.00 0.00 O ATOM 170 CB LEU A 14 -7.779 -3.305 -3.044 1.00 0.00 C ATOM 171 CG LEU A 14 -7.831 -1.879 -2.474 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.567 -1.867 -0.977 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.820 -1.008 -3.177 1.00 0.00 C ATOM 0 H LEU A 14 -8.932 -5.647 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.182 -4.476 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.739 -3.631 -3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.123 -3.276 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.834 -1.487 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.612 -0.842 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.321 -2.469 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.579 -2.282 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.862 0.001 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.821 -1.418 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.045 -0.977 -4.243 1.00 0.00 H new ATOM 184 N TYR A 15 -10.489 -3.755 -0.922 1.00 0.00 N ATOM 185 CA TYR A 15 -11.840 -3.305 -0.636 1.00 0.00 C ATOM 186 C TYR A 15 -11.798 -2.097 0.294 1.00 0.00 C ATOM 187 O TYR A 15 -11.533 -2.229 1.488 1.00 0.00 O ATOM 188 CB TYR A 15 -12.649 -4.448 -0.007 1.00 0.00 C ATOM 189 CG TYR A 15 -14.076 -4.083 0.339 1.00 0.00 C ATOM 190 CD1 TYR A 15 -14.999 -3.778 -0.652 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.499 -4.048 1.662 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.304 -3.448 -0.336 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.800 -3.721 1.986 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.699 -3.422 0.986 1.00 0.00 C ATOM 195 OH TYR A 15 -17.998 -3.092 1.311 1.00 0.00 O ATOM 0 H TYR A 15 -9.931 -3.957 -0.093 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.327 -3.009 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.659 -5.293 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.142 -4.781 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.693 -3.799 -1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.798 -4.281 2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.010 -3.212 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -16.112 -3.700 3.020 1.00 0.00 H new ATOM 0 HH TYR A 15 -18.110 -3.122 2.284 1.00 0.00 H new ATOM 204 N GLY A 16 -12.029 -0.917 -0.262 1.00 0.00 N ATOM 205 CA GLY A 16 -12.009 0.300 0.531 1.00 0.00 C ATOM 206 C GLY A 16 -10.600 0.774 0.834 1.00 0.00 C ATOM 207 O GLY A 16 -10.165 1.807 0.331 1.00 0.00 O ATOM 0 H GLY A 16 -12.231 -0.778 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.546 1.085 -0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.540 0.128 1.467 1.00 0.00 H new ATOM 211 N TYR A 17 -9.891 0.011 1.657 1.00 0.00 N ATOM 212 CA TYR A 17 -8.524 0.340 2.047 1.00 0.00 C ATOM 213 C TYR A 17 -7.816 -0.871 2.658 1.00 0.00 C ATOM 214 O TYR A 17 -6.813 -0.725 3.366 1.00 0.00 O ATOM 215 CB TYR A 17 -8.512 1.509 3.046 1.00 0.00 C ATOM 216 CG TYR A 17 -9.361 1.284 4.286 1.00 0.00 C ATOM 217 CD1 TYR A 17 -8.861 0.589 5.383 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.659 1.773 4.360 1.00 0.00 C ATOM 219 CE1 TYR A 17 -9.630 0.385 6.512 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.435 1.572 5.486 1.00 0.00 C ATOM 221 CZ TYR A 17 -10.916 0.878 6.559 1.00 0.00 C ATOM 222 OH TYR A 17 -11.689 0.671 7.679 1.00 0.00 O ATOM 0 H TYR A 17 -10.245 -0.851 2.072 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.987 0.636 1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.483 1.697 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.862 2.408 2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.853 0.202 5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.069 2.320 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.226 -0.158 7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.443 1.957 5.525 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.569 1.084 7.550 1.00 0.00 H new ATOM 231 N ILE A 18 -8.336 -2.065 2.388 1.00 0.00 N ATOM 232 CA ILE A 18 -7.747 -3.289 2.916 1.00 0.00 C ATOM 233 C ILE A 18 -7.190 -4.150 1.788 1.00 0.00 C ATOM 234 O ILE A 18 -7.887 -4.442 0.818 1.00 0.00 O ATOM 235 CB ILE A 18 -8.762 -4.116 3.746 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.979 -4.513 2.900 1.00 0.00 C ATOM 237 CG2 ILE A 18 -9.204 -3.336 4.975 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.966 -5.405 3.625 1.00 0.00 C ATOM 0 H ILE A 18 -9.162 -2.210 1.808 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.936 -2.987 3.579 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.264 -5.030 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.493 -3.609 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.633 -5.025 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.916 -3.931 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.336 -3.113 5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.676 -2.404 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.798 -5.642 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.469 -6.327 3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.342 -4.889 4.508 1.00 0.00 H new ATOM 249 N LEU A 19 -5.926 -4.528 1.907 1.00 0.00 N ATOM 250 CA LEU A 19 -5.282 -5.357 0.898 1.00 0.00 C ATOM 251 C LEU A 19 -4.987 -6.723 1.476 1.00 0.00 C ATOM 252 O LEU A 19 -4.179 -6.848 2.385 1.00 0.00 O ATOM 253 CB LEU A 19 -3.961 -4.727 0.438 1.00 0.00 C ATOM 254 CG LEU A 19 -3.704 -4.744 -1.067 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.705 -6.165 -1.612 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.736 -3.897 -1.772 1.00 0.00 C ATOM 0 H LEU A 19 -5.326 -4.274 2.692 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.957 -5.441 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.936 -3.692 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.141 -5.247 0.933 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.715 -4.325 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.519 -6.143 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.923 -6.744 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.673 -6.627 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.548 -3.913 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.731 -4.295 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.675 -2.871 -1.408 1.00 0.00 H new ATOM 267 N ARG A 20 -5.634 -7.741 0.967 1.00 0.00 N ATOM 268 CA ARG A 20 -5.379 -9.079 1.452 1.00 0.00 C ATOM 269 C ARG A 20 -4.864 -9.933 0.319 1.00 0.00 C ATOM 270 O ARG A 20 -5.347 -9.832 -0.808 1.00 0.00 O ATOM 271 CB ARG A 20 -6.625 -9.727 2.047 1.00 0.00 C ATOM 272 CG ARG A 20 -6.327 -11.076 2.680 1.00 0.00 C ATOM 273 CD ARG A 20 -7.544 -11.982 2.682 1.00 0.00 C ATOM 274 NE ARG A 20 -8.486 -11.650 3.745 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.310 -12.539 4.297 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.336 -13.791 3.846 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.109 -12.180 5.293 1.00 0.00 N ATOM 0 H ARG A 20 -6.333 -7.674 0.227 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.635 -9.005 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.054 -9.063 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.375 -9.852 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.515 -11.560 2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.983 -10.928 3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.048 -11.910 1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.222 -13.017 2.796 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.515 -10.688 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.725 -14.069 3.078 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.967 -14.472 4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.094 -11.220 5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.739 -12.863 5.713 1.00 0.00 H new ATOM 288 N GLY A 21 -3.884 -10.754 0.622 1.00 0.00 N ATOM 289 CA GLY A 21 -3.314 -11.624 -0.376 1.00 0.00 C ATOM 290 C GLY A 21 -2.561 -12.769 0.250 1.00 0.00 C ATOM 291 O GLY A 21 -2.326 -12.778 1.461 1.00 0.00 O ATOM 0 H GLY A 21 -3.467 -10.836 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.107 -12.015 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.642 -11.053 -1.016 1.00 0.00 H new ATOM 295 N ASP A 22 -2.196 -13.738 -0.565 1.00 0.00 N ATOM 296 CA ASP A 22 -1.451 -14.890 -0.093 1.00 0.00 C ATOM 297 C ASP A 22 0.018 -14.671 -0.363 1.00 0.00 C ATOM 298 O ASP A 22 0.467 -14.768 -1.505 1.00 0.00 O ATOM 299 CB ASP A 22 -1.911 -16.173 -0.791 1.00 0.00 C ATOM 300 CG ASP A 22 -3.311 -16.595 -0.399 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.454 -17.350 0.588 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.275 -16.198 -1.090 1.00 0.00 O ATOM 0 H ASP A 22 -2.404 -13.751 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.628 -15.003 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.871 -16.026 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.216 -16.978 -0.553 1.00 0.00 H new ATOM 306 N CYS A 23 0.772 -14.381 0.677 1.00 0.00 N ATOM 307 CA CYS A 23 2.194 -14.147 0.518 1.00 0.00 C ATOM 308 C CYS A 23 2.963 -15.360 1.006 1.00 0.00 C ATOM 309 O CYS A 23 2.720 -15.868 2.098 1.00 0.00 O ATOM 310 CB CYS A 23 2.634 -12.904 1.302 1.00 0.00 C ATOM 311 SG CYS A 23 2.485 -11.308 0.416 1.00 0.00 S ATOM 0 H CYS A 23 0.429 -14.302 1.634 1.00 0.00 H new ATOM 0 HA CYS A 23 2.404 -13.978 -0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.044 -12.847 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.674 -13.036 1.602 1.00 0.00 H new ATOM 315 N ILE A 24 3.901 -15.808 0.193 1.00 0.00 N ATOM 316 CA ILE A 24 4.705 -16.975 0.507 1.00 0.00 C ATOM 317 C ILE A 24 5.741 -16.655 1.569 1.00 0.00 C ATOM 318 O ILE A 24 6.388 -15.609 1.526 1.00 0.00 O ATOM 319 CB ILE A 24 5.401 -17.506 -0.764 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.347 -17.924 -1.795 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.326 -18.664 -0.438 1.00 0.00 C ATOM 322 CD1 ILE A 24 4.926 -18.510 -3.064 1.00 0.00 C ATOM 0 H ILE A 24 4.127 -15.374 -0.702 1.00 0.00 H new ATOM 0 HA ILE A 24 4.040 -17.745 0.897 1.00 0.00 H new ATOM 0 HB ILE A 24 6.012 -16.708 -1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.679 -18.656 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.740 -17.056 -2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.802 -19.018 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.090 -18.332 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.750 -19.475 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.117 -18.781 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.571 -17.773 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.509 -19.399 -2.822 1.00 0.00 H new ATOM 333 N ASN A 25 5.880 -17.549 2.533 1.00 0.00 N ATOM 334 CA ASN A 25 6.847 -17.357 3.596 1.00 0.00 C ATOM 335 C ASN A 25 8.138 -18.081 3.249 1.00 0.00 C ATOM 336 O ASN A 25 8.222 -18.720 2.202 1.00 0.00 O ATOM 337 CB ASN A 25 6.294 -17.839 4.945 1.00 0.00 C ATOM 338 CG ASN A 25 6.436 -19.328 5.173 1.00 0.00 C ATOM 339 OD1 ASN A 25 7.408 -19.784 5.773 1.00 0.00 O ATOM 340 ND2 ASN A 25 5.473 -20.094 4.700 1.00 0.00 N ATOM 0 H ASN A 25 5.338 -18.410 2.600 1.00 0.00 H new ATOM 0 HA ASN A 25 7.053 -16.291 3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.808 -17.309 5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.239 -17.571 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.517 -21.105 4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.684 -19.675 4.208 1.00 0.00 H new ATOM 346 N GLU A 26 9.120 -17.996 4.132 1.00 0.00 N ATOM 347 CA GLU A 26 10.423 -18.626 3.920 1.00 0.00 C ATOM 348 C GLU A 26 10.297 -20.104 3.525 1.00 0.00 C ATOM 349 O GLU A 26 11.016 -20.587 2.650 1.00 0.00 O ATOM 350 CB GLU A 26 11.263 -18.501 5.194 1.00 0.00 C ATOM 351 CG GLU A 26 12.627 -19.161 5.097 1.00 0.00 C ATOM 352 CD GLU A 26 13.507 -18.529 4.039 1.00 0.00 C ATOM 353 OE1 GLU A 26 14.103 -17.469 4.314 1.00 0.00 O ATOM 354 OE2 GLU A 26 13.598 -19.080 2.924 1.00 0.00 O ATOM 0 H GLU A 26 9.042 -17.491 5.015 1.00 0.00 H new ATOM 0 HA GLU A 26 10.910 -18.109 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.397 -17.445 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.714 -18.944 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.126 -19.098 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.499 -20.220 4.872 1.00 0.00 H new ATOM 359 N ASP A 27 9.365 -20.807 4.155 1.00 0.00 N ATOM 360 CA ASP A 27 9.156 -22.229 3.896 1.00 0.00 C ATOM 361 C ASP A 27 8.776 -22.501 2.439 1.00 0.00 C ATOM 362 O ASP A 27 9.001 -23.595 1.925 1.00 0.00 O ATOM 363 CB ASP A 27 8.075 -22.778 4.822 1.00 0.00 C ATOM 364 CG ASP A 27 8.038 -24.293 4.834 1.00 0.00 C ATOM 365 OD1 ASP A 27 8.833 -24.906 5.582 1.00 0.00 O ATOM 366 OD2 ASP A 27 7.220 -24.878 4.100 1.00 0.00 O ATOM 0 H ASP A 27 8.736 -20.413 4.855 1.00 0.00 H new ATOM 0 HA ASP A 27 10.101 -22.735 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.249 -22.414 5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.104 -22.396 4.508 1.00 0.00 H new ATOM 370 N GLY A 28 8.212 -21.506 1.770 1.00 0.00 N ATOM 371 CA GLY A 28 7.820 -21.688 0.385 1.00 0.00 C ATOM 372 C GLY A 28 6.328 -21.874 0.228 1.00 0.00 C ATOM 373 O GLY A 28 5.826 -22.062 -0.882 1.00 0.00 O ATOM 0 H GLY A 28 8.019 -20.582 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.139 -20.823 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.337 -22.556 -0.025 1.00 0.00 H new ATOM 377 N HIS A 29 5.616 -21.816 1.342 1.00 0.00 N ATOM 378 CA HIS A 29 4.168 -21.969 1.333 1.00 0.00 C ATOM 379 C HIS A 29 3.489 -20.609 1.460 1.00 0.00 C ATOM 380 O HIS A 29 3.953 -19.743 2.212 1.00 0.00 O ATOM 381 CB HIS A 29 3.710 -22.882 2.475 1.00 0.00 C ATOM 382 CG HIS A 29 3.977 -24.340 2.249 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.988 -25.296 2.309 1.00 0.00 N ATOM 384 CD2 HIS A 29 5.127 -25.008 1.992 1.00 0.00 C ATOM 385 CE1 HIS A 29 3.515 -26.486 2.105 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.809 -26.339 1.908 1.00 0.00 N ATOM 0 H HIS A 29 6.018 -21.664 2.267 1.00 0.00 H new ATOM 0 HA HIS A 29 3.883 -22.424 0.384 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.208 -22.572 3.393 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.640 -22.741 2.630 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.109 -24.574 1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.977 -27.423 2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.469 -27.094 1.723 1.00 0.00 H new ATOM 394 N PRO A 30 2.400 -20.397 0.708 1.00 0.00 N ATOM 395 CA PRO A 30 1.645 -19.141 0.737 1.00 0.00 C ATOM 396 C PRO A 30 0.848 -18.977 2.029 1.00 0.00 C ATOM 397 O PRO A 30 0.205 -19.915 2.502 1.00 0.00 O ATOM 398 CB PRO A 30 0.703 -19.260 -0.461 1.00 0.00 C ATOM 399 CG PRO A 30 0.520 -20.727 -0.653 1.00 0.00 C ATOM 400 CD PRO A 30 1.821 -21.364 -0.245 1.00 0.00 C ATOM 0 HA PRO A 30 2.300 -18.271 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.248 -18.764 -0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.131 -18.795 -1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.305 -21.100 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.281 -20.958 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.662 -22.337 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.475 -21.522 -1.102 1.00 0.00 H new ATOM 405 N HIS A 31 0.913 -17.787 2.598 1.00 0.00 N ATOM 406 CA HIS A 31 0.213 -17.477 3.830 1.00 0.00 C ATOM 407 C HIS A 31 -0.672 -16.251 3.637 1.00 0.00 C ATOM 408 O HIS A 31 -0.202 -15.201 3.193 1.00 0.00 O ATOM 409 CB HIS A 31 1.228 -17.234 4.950 1.00 0.00 C ATOM 410 CG HIS A 31 0.617 -16.916 6.277 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.642 -15.657 6.829 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.024 -17.703 7.172 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.046 -15.682 8.003 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.369 -16.913 8.240 1.00 0.00 N ATOM 0 H HIS A 31 1.453 -17.009 2.219 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.422 -18.319 4.105 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.855 -18.120 5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.883 -16.413 4.659 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.058 -14.832 6.396 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.227 -18.758 7.065 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.082 -14.836 8.662 1.00 0.00 H new ATOM 422 N ALA A 32 -1.948 -16.392 3.958 1.00 0.00 N ATOM 423 CA ALA A 32 -2.901 -15.299 3.823 1.00 0.00 C ATOM 424 C ALA A 32 -2.577 -14.164 4.791 1.00 0.00 C ATOM 425 O ALA A 32 -2.510 -14.365 6.004 1.00 0.00 O ATOM 426 CB ALA A 32 -4.318 -15.800 4.052 1.00 0.00 C ATOM 0 H ALA A 32 -2.351 -17.258 4.316 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.825 -14.910 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.018 -14.971 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.555 -16.570 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.398 -16.219 5.055 1.00 0.00 H new ATOM 432 N THR A 33 -2.374 -12.978 4.245 1.00 0.00 N ATOM 433 CA THR A 33 -2.057 -11.804 5.038 1.00 0.00 C ATOM 434 C THR A 33 -2.853 -10.607 4.530 1.00 0.00 C ATOM 435 O THR A 33 -3.314 -10.603 3.389 1.00 0.00 O ATOM 436 CB THR A 33 -0.544 -11.491 4.983 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.221 -10.406 5.860 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.119 -11.145 3.564 1.00 0.00 C ATOM 0 H THR A 33 -2.424 -12.802 3.242 1.00 0.00 H new ATOM 0 HA THR A 33 -2.327 -12.007 6.074 1.00 0.00 H new ATOM 0 HB THR A 33 -0.005 -12.381 5.307 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.152 -10.760 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.949 -10.928 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.329 -11.988 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.672 -10.271 3.221 1.00 0.00 H new ATOM 446 N SER A 34 -3.016 -9.603 5.372 1.00 0.00 N ATOM 447 CA SER A 34 -3.764 -8.419 4.996 1.00 0.00 C ATOM 448 C SER A 34 -3.081 -7.163 5.504 1.00 0.00 C ATOM 449 O SER A 34 -2.521 -7.154 6.596 1.00 0.00 O ATOM 450 CB SER A 34 -5.177 -8.505 5.551 1.00 0.00 C ATOM 451 OG SER A 34 -5.163 -8.688 6.957 1.00 0.00 O ATOM 0 H SER A 34 -2.640 -9.584 6.320 1.00 0.00 H new ATOM 0 HA SER A 34 -3.806 -8.368 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.724 -7.595 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.707 -9.332 5.079 1.00 0.00 H new ATOM 0 HG SER A 34 -6.083 -8.738 7.289 1.00 0.00 H new ATOM 456 N ILE A 35 -3.129 -6.105 4.711 1.00 0.00 N ATOM 457 CA ILE A 35 -2.507 -4.855 5.083 1.00 0.00 C ATOM 458 C ILE A 35 -3.492 -3.699 4.929 1.00 0.00 C ATOM 459 O ILE A 35 -4.355 -3.721 4.047 1.00 0.00 O ATOM 460 CB ILE A 35 -1.253 -4.548 4.221 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.388 -5.794 4.013 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.420 -3.447 4.858 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.740 -6.581 2.764 1.00 0.00 C ATOM 0 H ILE A 35 -3.595 -6.092 3.804 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.202 -4.958 6.124 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.608 -4.214 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.658 -5.494 3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.489 -6.444 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.454 -3.247 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.019 -2.541 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.097 -3.763 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.085 -7.449 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.777 -6.913 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.611 -5.947 1.886 1.00 0.00 H new ATOM 474 N ASN A 36 -3.373 -2.704 5.793 1.00 0.00 N ATOM 475 CA ASN A 36 -4.232 -1.531 5.733 1.00 0.00 C ATOM 476 C ASN A 36 -3.502 -0.379 5.067 1.00 0.00 C ATOM 477 O ASN A 36 -2.751 0.352 5.709 1.00 0.00 O ATOM 478 CB ASN A 36 -4.707 -1.118 7.129 1.00 0.00 C ATOM 479 CG ASN A 36 -5.825 -2.001 7.642 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.629 -2.522 6.728 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -5.970 -2.208 8.847 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.687 -2.685 6.548 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.110 -1.788 5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.867 -1.159 7.823 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.048 -0.083 7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.327 -1.787 9.518 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.733 -2.801 9.174 1.00 0.00 H new ATOM 487 N LEU A 37 -3.750 -0.214 3.773 1.00 0.00 N ATOM 488 CA LEU A 37 -3.111 0.839 2.988 1.00 0.00 C ATOM 489 C LEU A 37 -3.464 2.204 3.555 1.00 0.00 C ATOM 490 O LEU A 37 -2.711 3.165 3.411 1.00 0.00 O ATOM 491 CB LEU A 37 -3.549 0.792 1.512 1.00 0.00 C ATOM 492 CG LEU A 37 -3.412 -0.552 0.785 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.080 -1.220 1.101 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.580 -1.466 1.125 1.00 0.00 C ATOM 0 H LEU A 37 -4.393 -0.800 3.241 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.035 0.673 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.593 1.100 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.969 1.534 0.963 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.433 -0.359 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.014 -2.170 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.263 -0.571 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.008 -1.398 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.465 -2.414 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.600 -1.647 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.513 -0.993 0.819 1.00 0.00 H new ATOM 505 N ASN A 38 -4.619 2.270 4.207 1.00 0.00 N ATOM 506 CA ASN A 38 -5.114 3.507 4.797 1.00 0.00 C ATOM 507 C ASN A 38 -4.094 4.143 5.736 1.00 0.00 C ATOM 508 O ASN A 38 -3.996 5.360 5.803 1.00 0.00 O ATOM 509 CB ASN A 38 -6.419 3.244 5.558 1.00 0.00 C ATOM 510 CG ASN A 38 -6.999 4.496 6.202 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.659 4.845 7.327 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.899 5.168 5.497 1.00 0.00 N ATOM 0 H ASN A 38 -5.237 1.470 4.341 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.296 4.205 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.154 2.822 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.238 2.496 6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.332 6.004 5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.158 4.848 4.564 1.00 0.00 H new ATOM 518 N TYR A 39 -3.315 3.327 6.433 1.00 0.00 N ATOM 519 CA TYR A 39 -2.340 3.854 7.381 1.00 0.00 C ATOM 520 C TYR A 39 -0.924 3.819 6.821 1.00 0.00 C ATOM 521 O TYR A 39 0.044 4.025 7.554 1.00 0.00 O ATOM 522 CB TYR A 39 -2.406 3.064 8.689 1.00 0.00 C ATOM 523 CG TYR A 39 -3.797 2.992 9.276 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.358 4.090 9.913 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.549 1.829 9.184 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.631 4.030 10.444 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.823 1.761 9.713 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.359 2.865 10.339 1.00 0.00 C ATOM 529 OH TYR A 39 -7.627 2.797 10.870 1.00 0.00 O ATOM 0 H TYR A 39 -3.337 2.310 6.363 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.593 4.898 7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.041 2.052 8.513 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.736 3.522 9.416 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.790 5.005 9.995 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.131 0.964 8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.054 4.892 10.939 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.395 0.848 9.636 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.002 1.906 10.709 1.00 0.00 H new ATOM 538 N TYR A 40 -0.794 3.558 5.525 1.00 0.00 N ATOM 539 CA TYR A 40 0.528 3.501 4.910 1.00 0.00 C ATOM 540 C TYR A 40 0.643 4.394 3.685 1.00 0.00 C ATOM 541 O TYR A 40 1.744 4.780 3.306 1.00 0.00 O ATOM 542 CB TYR A 40 0.908 2.059 4.568 1.00 0.00 C ATOM 543 CG TYR A 40 1.028 1.188 5.794 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.891 1.536 6.826 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.267 0.038 5.933 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.988 0.762 7.962 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.363 -0.747 7.065 1.00 0.00 C ATOM 548 CZ TYR A 40 1.223 -0.379 8.079 1.00 0.00 C ATOM 549 OH TYR A 40 1.320 -1.148 9.212 1.00 0.00 O ATOM 0 H TYR A 40 -1.572 3.385 4.889 1.00 0.00 H new ATOM 0 HA TYR A 40 1.234 3.884 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.158 1.638 3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.855 2.054 4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.495 2.427 6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.412 -0.249 5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.660 1.048 8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.232 -1.644 7.156 1.00 0.00 H new ATOM 0 HH TYR A 40 0.715 -1.916 9.139 1.00 0.00 H new ATOM 558 N ILE A 41 -0.481 4.729 3.081 1.00 0.00 N ATOM 559 CA ILE A 41 -0.496 5.591 1.910 1.00 0.00 C ATOM 560 C ILE A 41 -1.157 6.916 2.258 1.00 0.00 C ATOM 561 O ILE A 41 -2.142 6.952 3.000 1.00 0.00 O ATOM 562 CB ILE A 41 -1.245 4.942 0.725 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.381 3.894 0.021 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.696 5.998 -0.272 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.244 2.602 0.785 1.00 0.00 C ATOM 0 H ILE A 41 -1.403 4.416 3.383 1.00 0.00 H new ATOM 0 HA ILE A 41 0.538 5.752 1.606 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.123 4.441 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.810 3.682 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.612 4.311 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.221 5.518 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.364 6.703 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.826 6.531 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.382 1.911 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.214 2.799 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.230 2.160 0.933 1.00 0.00 H new ATOM 576 N GLY A 42 -0.607 8.004 1.746 1.00 0.00 N ATOM 577 CA GLY A 42 -1.170 9.303 2.035 1.00 0.00 C ATOM 578 C GLY A 42 -1.749 9.986 0.815 1.00 0.00 C ATOM 579 O GLY A 42 -1.487 9.585 -0.321 1.00 0.00 O ATOM 0 H GLY A 42 0.213 8.011 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.951 9.194 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.397 9.939 2.467 1.00 0.00 H new ATOM 583 N ASN A 43 -2.531 11.023 1.063 1.00 0.00 N ATOM 584 CA ASN A 43 -3.179 11.789 0.004 1.00 0.00 C ATOM 585 C ASN A 43 -2.572 13.180 -0.099 1.00 0.00 C ATOM 586 O ASN A 43 -2.801 14.033 0.762 1.00 0.00 O ATOM 587 CB ASN A 43 -4.684 11.893 0.283 1.00 0.00 C ATOM 588 CG ASN A 43 -5.387 12.881 -0.631 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.990 13.085 -1.775 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.439 13.508 -0.126 1.00 0.00 N ATOM 0 H ASN A 43 -2.737 11.360 2.003 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.024 11.273 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.139 10.910 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.836 12.193 1.320 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.949 14.186 -0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.739 13.312 0.829 1.00 0.00 H new ATOM 596 N ASP A 44 -1.781 13.402 -1.134 1.00 0.00 N ATOM 597 CA ASP A 44 -1.154 14.695 -1.335 1.00 0.00 C ATOM 598 C ASP A 44 -1.724 15.385 -2.565 1.00 0.00 C ATOM 599 O ASP A 44 -1.458 14.969 -3.693 1.00 0.00 O ATOM 600 CB ASP A 44 0.362 14.548 -1.470 1.00 0.00 C ATOM 601 CG ASP A 44 1.061 15.891 -1.570 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.163 16.589 -0.540 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.514 16.257 -2.676 1.00 0.00 O ATOM 0 H ASP A 44 -1.559 12.706 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.367 15.310 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.750 14.001 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.590 13.955 -2.355 1.00 0.00 H new ATOM 607 N ASN A 45 -2.531 16.420 -2.337 1.00 0.00 N ATOM 608 CA ASN A 45 -3.139 17.201 -3.415 1.00 0.00 C ATOM 609 C ASN A 45 -4.030 16.325 -4.286 1.00 0.00 C ATOM 610 O ASN A 45 -4.053 16.461 -5.513 1.00 0.00 O ATOM 611 CB ASN A 45 -2.045 17.852 -4.265 1.00 0.00 C ATOM 612 CG ASN A 45 -2.498 19.112 -4.968 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.298 19.872 -4.433 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.987 19.346 -6.168 1.00 0.00 N ATOM 0 H ASN A 45 -2.782 16.741 -1.402 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.760 17.979 -2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.192 18.087 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.699 17.135 -5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.257 20.184 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.324 18.688 -6.577 1.00 0.00 H new ATOM 620 N GLY A 46 -4.757 15.419 -3.647 1.00 0.00 N ATOM 621 CA GLY A 46 -5.642 14.533 -4.374 1.00 0.00 C ATOM 622 C GLY A 46 -4.893 13.453 -5.127 1.00 0.00 C ATOM 623 O GLY A 46 -5.434 12.834 -6.044 1.00 0.00 O ATOM 0 H GLY A 46 -4.749 15.282 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.339 14.068 -3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.237 15.116 -5.077 1.00 0.00 H new ATOM 627 N ARG A 47 -3.644 13.236 -4.745 1.00 0.00 N ATOM 628 CA ARG A 47 -2.808 12.235 -5.386 1.00 0.00 C ATOM 629 C ARG A 47 -2.262 11.245 -4.367 1.00 0.00 C ATOM 630 O ARG A 47 -1.954 11.612 -3.233 1.00 0.00 O ATOM 631 CB ARG A 47 -1.651 12.913 -6.119 1.00 0.00 C ATOM 632 CG ARG A 47 -1.741 12.812 -7.629 1.00 0.00 C ATOM 633 CD ARG A 47 -3.033 13.412 -8.171 1.00 0.00 C ATOM 634 NE ARG A 47 -3.183 14.824 -7.813 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.128 15.826 -8.692 1.00 0.00 C ATOM 636 NH1 ARG A 47 -2.883 15.584 -9.975 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.309 17.074 -8.284 1.00 0.00 N ATOM 0 H ARG A 47 -3.185 13.744 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.421 11.688 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.620 13.965 -5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.713 12.467 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.889 13.324 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.676 11.765 -7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.051 13.311 -9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.883 12.849 -7.784 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.339 15.055 -6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.735 14.627 -10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.843 16.356 -10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.490 17.267 -7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.267 17.841 -8.955 1.00 0.00 H new ATOM 648 N LEU A 48 -2.149 9.993 -4.787 1.00 0.00 N ATOM 649 CA LEU A 48 -1.627 8.930 -3.938 1.00 0.00 C ATOM 650 C LEU A 48 -0.124 9.074 -3.751 1.00 0.00 C ATOM 651 O LEU A 48 0.630 9.128 -4.721 1.00 0.00 O ATOM 652 CB LEU A 48 -1.943 7.560 -4.551 1.00 0.00 C ATOM 653 CG LEU A 48 -3.250 6.911 -4.099 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.434 7.807 -4.389 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.426 5.567 -4.781 1.00 0.00 C ATOM 0 H LEU A 48 -2.415 9.685 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.108 9.008 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.969 7.666 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.123 6.881 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.200 6.760 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.350 7.319 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.314 8.752 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.493 7.997 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.360 5.112 -4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.451 5.708 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.593 4.914 -4.519 1.00 0.00 H new ATOM 666 N GLU A 49 0.295 9.151 -2.501 1.00 0.00 N ATOM 667 CA GLU A 49 1.702 9.275 -2.156 1.00 0.00 C ATOM 668 C GLU A 49 2.138 8.010 -1.425 1.00 0.00 C ATOM 669 O GLU A 49 1.362 7.488 -0.621 1.00 0.00 O ATOM 670 CB GLU A 49 1.912 10.511 -1.273 1.00 0.00 C ATOM 671 CG GLU A 49 3.349 10.731 -0.828 1.00 0.00 C ATOM 672 CD GLU A 49 4.274 11.053 -1.980 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.346 12.233 -2.386 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.948 10.134 -2.482 1.00 0.00 O ATOM 0 H GLU A 49 -0.330 9.129 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 49 2.303 9.395 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.575 11.393 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.281 10.422 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.380 11.545 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.708 9.837 -0.318 1.00 0.00 H new ATOM 679 N TYR A 50 3.347 7.509 -1.729 1.00 0.00 N ATOM 680 CA TYR A 50 3.867 6.293 -1.101 1.00 0.00 C ATOM 681 C TYR A 50 3.601 6.235 0.299 1.00 0.00 C ATOM 682 O TYR A 50 2.800 5.393 0.707 1.00 0.00 O ATOM 683 CB TYR A 50 5.353 6.001 -1.349 1.00 0.00 C ATOM 684 CG TYR A 50 6.127 6.999 -2.196 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.797 7.231 -3.523 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.213 7.688 -1.666 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.521 8.118 -4.298 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.938 8.577 -2.432 1.00 0.00 C ATOM 689 CZ TYR A 50 7.586 8.790 -3.747 1.00 0.00 C ATOM 690 OH TYR A 50 8.309 9.679 -4.514 1.00 0.00 O ATOM 0 H TYR A 50 3.980 7.932 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 50 3.309 5.509 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.848 5.924 -0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.430 5.023 -1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.958 6.709 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.494 7.524 -0.636 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.251 8.282 -5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.778 9.104 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 50 9.027 10.069 -3.973 1.00 0.00 H new ATOM 699 N PRO A 51 4.185 7.023 1.113 1.00 0.00 N ATOM 700 CA PRO A 51 3.865 6.808 2.400 1.00 0.00 C ATOM 701 C PRO A 51 3.030 7.909 2.995 1.00 0.00 C ATOM 702 O PRO A 51 3.327 9.102 2.884 1.00 0.00 O ATOM 703 CB PRO A 51 5.221 6.693 2.967 1.00 0.00 C ATOM 704 CG PRO A 51 5.991 7.787 2.271 1.00 0.00 C ATOM 705 CD PRO A 51 5.255 8.009 0.967 1.00 0.00 C ATOM 0 HA PRO A 51 3.226 5.945 2.589 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.216 6.832 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.655 5.712 2.773 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.016 8.697 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.026 7.493 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.875 9.026 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.882 7.819 0.096 1.00 0.00 H new ATOM 710 N GLY A 52 1.990 7.496 3.627 1.00 0.00 N ATOM 711 CA GLY A 52 1.089 8.437 4.208 1.00 0.00 C ATOM 712 C GLY A 52 0.178 7.838 5.244 1.00 0.00 C ATOM 713 O GLY A 52 0.464 6.772 5.788 1.00 0.00 O ATOM 0 H GLY A 52 1.739 6.516 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.663 9.243 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.484 8.883 3.419 1.00 0.00 H new ATOM 717 N GLU A 53 -0.930 8.528 5.496 1.00 0.00 N ATOM 718 CA GLU A 53 -1.921 8.096 6.473 1.00 0.00 C ATOM 719 C GLU A 53 -3.292 8.672 6.146 1.00 0.00 C ATOM 720 O GLU A 53 -3.403 9.803 5.667 1.00 0.00 O ATOM 721 CB GLU A 53 -1.547 8.543 7.891 1.00 0.00 C ATOM 722 CG GLU A 53 -0.395 7.782 8.517 1.00 0.00 C ATOM 723 CD GLU A 53 -0.249 8.093 9.992 1.00 0.00 C ATOM 724 OE1 GLU A 53 -1.060 7.583 10.792 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.667 8.860 10.361 1.00 0.00 O ATOM 0 H GLU A 53 -1.165 9.403 5.028 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.948 7.007 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.293 9.603 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.423 8.439 8.532 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.553 6.712 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.531 8.034 7.999 1.00 0.00 H new ATOM 730 N SER A 54 -4.318 7.880 6.423 1.00 0.00 N ATOM 731 CA SER A 54 -5.705 8.255 6.217 1.00 0.00 C ATOM 732 C SER A 54 -5.993 8.786 4.807 1.00 0.00 C ATOM 733 O SER A 54 -6.690 9.789 4.654 1.00 0.00 O ATOM 734 CB SER A 54 -6.110 9.286 7.267 1.00 0.00 C ATOM 735 OG SER A 54 -5.889 8.793 8.580 1.00 0.00 O ATOM 0 H SER A 54 -4.205 6.941 6.805 1.00 0.00 H new ATOM 0 HA SER A 54 -6.301 7.349 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.540 10.203 7.119 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.162 9.541 7.143 1.00 0.00 H new ATOM 0 HG SER A 54 -6.155 9.473 9.234 1.00 0.00 H new ATOM 740 N PHE A 55 -5.462 8.130 3.776 1.00 0.00 N ATOM 741 CA PHE A 55 -5.731 8.568 2.410 1.00 0.00 C ATOM 742 C PHE A 55 -7.170 8.209 2.041 1.00 0.00 C ATOM 743 O PHE A 55 -7.886 9.002 1.441 1.00 0.00 O ATOM 744 CB PHE A 55 -4.746 7.948 1.395 1.00 0.00 C ATOM 745 CG PHE A 55 -5.069 6.532 0.987 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.780 5.469 1.824 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.673 6.271 -0.236 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.086 4.173 1.451 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.982 4.977 -0.613 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.689 3.928 0.233 1.00 0.00 C ATOM 0 H PHE A 55 -4.857 7.313 3.857 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.593 9.648 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.724 8.573 0.502 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.744 7.969 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.310 5.653 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.904 7.090 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.853 3.352 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.451 4.788 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.931 2.916 -0.057 1.00 0.00 H new ATOM 759 N GLY A 56 -7.603 7.030 2.493 1.00 0.00 N ATOM 760 CA GLY A 56 -8.941 6.536 2.194 1.00 0.00 C ATOM 761 C GLY A 56 -10.024 7.452 2.710 1.00 0.00 C ATOM 762 O GLY A 56 -11.169 7.389 2.270 1.00 0.00 O ATOM 0 H GLY A 56 -7.042 6.402 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.050 6.421 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.066 5.547 2.634 1.00 0.00 H new ATOM 766 N SER A 57 -9.645 8.304 3.644 1.00 0.00 N ATOM 767 CA SER A 57 -10.548 9.267 4.235 1.00 0.00 C ATOM 768 C SER A 57 -11.022 10.280 3.192 1.00 0.00 C ATOM 769 O SER A 57 -12.095 10.871 3.328 1.00 0.00 O ATOM 770 CB SER A 57 -9.816 9.962 5.375 1.00 0.00 C ATOM 771 OG SER A 57 -9.418 9.020 6.358 1.00 0.00 O ATOM 0 H SER A 57 -8.696 8.346 4.015 1.00 0.00 H new ATOM 0 HA SER A 57 -11.435 8.762 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.941 10.484 4.988 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.463 10.715 5.825 1.00 0.00 H new ATOM 0 HG SER A 57 -9.399 9.453 7.237 1.00 0.00 H new ATOM 776 N SER A 58 -10.220 10.467 2.146 1.00 0.00 N ATOM 777 CA SER A 58 -10.555 11.399 1.077 1.00 0.00 C ATOM 778 C SER A 58 -10.251 10.789 -0.294 1.00 0.00 C ATOM 779 O SER A 58 -10.116 11.505 -1.289 1.00 0.00 O ATOM 780 CB SER A 58 -9.776 12.701 1.258 1.00 0.00 C ATOM 781 OG SER A 58 -10.030 13.272 2.532 1.00 0.00 O ATOM 0 H SER A 58 -9.331 9.983 2.018 1.00 0.00 H new ATOM 0 HA SER A 58 -11.623 11.611 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.709 12.509 1.148 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.055 13.408 0.476 1.00 0.00 H new ATOM 0 HG SER A 58 -9.520 14.103 2.626 1.00 0.00 H new ATOM 786 N CYS A 59 -10.156 9.465 -0.344 1.00 0.00 N ATOM 787 CA CYS A 59 -9.869 8.764 -1.585 1.00 0.00 C ATOM 788 C CYS A 59 -10.911 7.694 -1.853 1.00 0.00 C ATOM 789 O CYS A 59 -11.360 7.005 -0.936 1.00 0.00 O ATOM 790 CB CYS A 59 -8.488 8.116 -1.536 1.00 0.00 C ATOM 791 SG CYS A 59 -7.114 9.285 -1.295 1.00 0.00 S ATOM 0 H CYS A 59 -10.274 8.856 0.465 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.893 9.499 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.472 7.385 -0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.324 7.569 -2.464 1.00 0.00 H new ATOM 795 N VAL A 60 -11.292 7.564 -3.108 1.00 0.00 N ATOM 796 CA VAL A 60 -12.273 6.575 -3.518 1.00 0.00 C ATOM 797 C VAL A 60 -11.762 5.798 -4.725 1.00 0.00 C ATOM 798 O VAL A 60 -10.696 6.113 -5.255 1.00 0.00 O ATOM 799 CB VAL A 60 -13.623 7.225 -3.872 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.269 7.846 -2.643 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.438 8.269 -4.961 1.00 0.00 C ATOM 0 H VAL A 60 -10.933 8.138 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.426 5.900 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.288 6.445 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.221 8.298 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.440 7.074 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.610 8.611 -2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.401 8.720 -5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.753 9.041 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.027 7.796 -5.853 1.00 0.00 H new ATOM 811 N LYS A 61 -12.535 4.804 -5.163 1.00 0.00 N ATOM 812 CA LYS A 61 -12.164 3.967 -6.305 1.00 0.00 C ATOM 813 C LYS A 61 -10.831 3.263 -6.065 1.00 0.00 C ATOM 814 O LYS A 61 -9.966 3.233 -6.941 1.00 0.00 O ATOM 815 CB LYS A 61 -12.102 4.785 -7.601 1.00 0.00 C ATOM 816 CG LYS A 61 -13.381 4.729 -8.430 1.00 0.00 C ATOM 817 CD LYS A 61 -14.519 5.542 -7.822 1.00 0.00 C ATOM 818 CE LYS A 61 -14.348 7.032 -8.077 1.00 0.00 C ATOM 819 NZ LYS A 61 -15.543 7.808 -7.648 1.00 0.00 N ATOM 0 H LYS A 61 -13.430 4.557 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.940 3.210 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.887 5.824 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.272 4.424 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.173 5.099 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.697 3.691 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.468 5.208 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.563 5.360 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.469 7.393 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.167 7.200 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.387 8.819 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.377 7.481 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.701 7.668 -6.630 1.00 0.00 H new ATOM 829 N THR A 62 -10.675 2.713 -4.870 1.00 0.00 N ATOM 830 CA THR A 62 -9.459 1.999 -4.496 1.00 0.00 C ATOM 831 C THR A 62 -9.348 0.653 -5.223 1.00 0.00 C ATOM 832 O THR A 62 -10.241 -0.195 -5.130 1.00 0.00 O ATOM 833 CB THR A 62 -9.408 1.758 -2.974 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.715 1.425 -2.483 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.887 2.974 -2.228 1.00 0.00 C ATOM 0 H THR A 62 -11.382 2.747 -4.135 1.00 0.00 H new ATOM 0 HA THR A 62 -8.619 2.627 -4.792 1.00 0.00 H new ATOM 0 HB THR A 62 -8.722 0.930 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.764 1.620 -1.524 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.866 2.764 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.879 3.207 -2.571 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.541 3.825 -2.418 1.00 0.00 H new ATOM 843 N ALA A 63 -8.250 0.467 -5.944 1.00 0.00 N ATOM 844 CA ALA A 63 -8.006 -0.766 -6.684 1.00 0.00 C ATOM 845 C ALA A 63 -6.512 -1.046 -6.766 1.00 0.00 C ATOM 846 O ALA A 63 -5.698 -0.155 -6.524 1.00 0.00 O ATOM 847 CB ALA A 63 -8.617 -0.687 -8.074 1.00 0.00 C ATOM 0 H ALA A 63 -7.508 1.161 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.482 -1.590 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.424 -1.616 -8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.693 -0.533 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.173 0.145 -8.620 1.00 0.00 H new ATOM 853 N LEU A 64 -6.146 -2.279 -7.095 1.00 0.00 N ATOM 854 CA LEU A 64 -4.738 -2.654 -7.178 1.00 0.00 C ATOM 855 C LEU A 64 -4.375 -3.167 -8.573 1.00 0.00 C ATOM 856 O LEU A 64 -4.817 -4.237 -8.990 1.00 0.00 O ATOM 857 CB LEU A 64 -4.418 -3.719 -6.117 1.00 0.00 C ATOM 858 CG LEU A 64 -3.396 -3.307 -5.044 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.000 -3.250 -5.626 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.759 -1.960 -4.448 1.00 0.00 C ATOM 0 H LEU A 64 -6.799 -3.033 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.139 -1.764 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.346 -4.000 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.046 -4.610 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.417 -4.059 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.294 -2.957 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.727 -4.232 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.973 -2.521 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.024 -1.687 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.768 -1.205 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.746 -2.019 -3.990 1.00 0.00 H new ATOM 871 N ASN A 65 -3.547 -2.402 -9.279 1.00 0.00 N ATOM 872 CA ASN A 65 -3.101 -2.766 -10.619 1.00 0.00 C ATOM 873 C ASN A 65 -2.029 -3.836 -10.544 1.00 0.00 C ATOM 874 O ASN A 65 -0.980 -3.624 -9.924 1.00 0.00 O ATOM 875 CB ASN A 65 -2.551 -1.546 -11.367 1.00 0.00 C ATOM 876 CG ASN A 65 -3.635 -0.590 -11.830 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.675 -0.440 -11.188 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.397 0.067 -12.955 1.00 0.00 N ATOM 0 H ASN A 65 -3.169 -1.517 -8.940 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.963 -3.151 -11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.858 -1.012 -10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.981 -1.885 -12.232 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.088 0.724 -13.318 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.523 -0.084 -13.459 1.00 0.00 H new ATOM 884 N ASP A 66 -2.321 -4.988 -11.145 1.00 0.00 N ATOM 885 CA ASP A 66 -1.409 -6.138 -11.185 1.00 0.00 C ATOM 886 C ASP A 66 -0.920 -6.498 -9.780 1.00 0.00 C ATOM 887 O ASP A 66 0.162 -7.055 -9.604 1.00 0.00 O ATOM 888 CB ASP A 66 -0.229 -5.853 -12.125 1.00 0.00 C ATOM 889 CG ASP A 66 0.538 -7.104 -12.520 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.056 -7.992 -13.172 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.744 -7.200 -12.195 1.00 0.00 O ATOM 0 H ASP A 66 -3.206 -5.155 -11.624 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.956 -6.997 -11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.600 -5.363 -13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.453 -5.155 -11.640 1.00 0.00 H new ATOM 895 N GLY A 67 -1.734 -6.162 -8.783 1.00 0.00 N ATOM 896 CA GLY A 67 -1.401 -6.449 -7.400 1.00 0.00 C ATOM 897 C GLY A 67 -0.092 -5.825 -6.944 1.00 0.00 C ATOM 898 O GLY A 67 0.602 -6.394 -6.111 1.00 0.00 O ATOM 0 H GLY A 67 -2.629 -5.690 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.207 -6.090 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.344 -7.529 -7.266 1.00 0.00 H new ATOM 902 N HIS A 68 0.255 -4.656 -7.477 1.00 0.00 N ATOM 903 CA HIS A 68 1.501 -4.000 -7.079 1.00 0.00 C ATOM 904 C HIS A 68 1.331 -2.487 -6.969 1.00 0.00 C ATOM 905 O HIS A 68 2.005 -1.840 -6.176 1.00 0.00 O ATOM 906 CB HIS A 68 2.648 -4.341 -8.048 1.00 0.00 C ATOM 907 CG HIS A 68 2.612 -3.627 -9.375 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.377 -2.513 -9.650 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.928 -3.893 -10.512 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.166 -2.130 -10.895 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.292 -2.951 -11.439 1.00 0.00 N ATOM 0 H HIS A 68 -0.295 -4.151 -8.172 1.00 0.00 H new ATOM 0 HA HIS A 68 1.760 -4.383 -6.092 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.594 -4.112 -7.558 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.637 -5.415 -8.233 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.009 -2.056 -8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.225 -4.699 -10.662 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.631 -1.287 -11.384 1.00 0.00 H new ATOM 919 N THR A 69 0.431 -1.930 -7.761 1.00 0.00 N ATOM 920 CA THR A 69 0.190 -0.499 -7.751 1.00 0.00 C ATOM 921 C THR A 69 -1.228 -0.178 -7.293 1.00 0.00 C ATOM 922 O THR A 69 -2.188 -0.759 -7.776 1.00 0.00 O ATOM 923 CB THR A 69 0.423 0.088 -9.156 1.00 0.00 C ATOM 924 OG1 THR A 69 1.826 0.135 -9.445 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.188 1.474 -9.297 1.00 0.00 C ATOM 0 H THR A 69 -0.147 -2.450 -8.421 1.00 0.00 H new ATOM 0 HA THR A 69 0.889 -0.049 -7.046 1.00 0.00 H new ATOM 0 HB THR A 69 -0.072 -0.566 -9.874 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.963 0.508 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.002 1.853 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.263 1.417 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.262 2.146 -8.566 1.00 0.00 H new ATOM 933 N LEU A 70 -1.348 0.744 -6.359 1.00 0.00 N ATOM 934 CA LEU A 70 -2.651 1.156 -5.859 1.00 0.00 C ATOM 935 C LEU A 70 -3.171 2.325 -6.677 1.00 0.00 C ATOM 936 O LEU A 70 -2.448 3.279 -6.937 1.00 0.00 O ATOM 937 CB LEU A 70 -2.565 1.537 -4.374 1.00 0.00 C ATOM 938 CG LEU A 70 -3.728 2.370 -3.822 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.045 1.614 -3.901 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.442 2.784 -2.391 1.00 0.00 C ATOM 0 H LEU A 70 -0.559 1.225 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.344 0.320 -5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.491 0.621 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.640 2.092 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.822 3.263 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.846 2.236 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.261 1.368 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.973 0.696 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.275 3.375 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.315 1.895 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.530 3.380 -2.360 1.00 0.00 H new ATOM 951 N THR A 71 -4.413 2.231 -7.102 1.00 0.00 N ATOM 952 CA THR A 71 -5.033 3.285 -7.877 1.00 0.00 C ATOM 953 C THR A 71 -6.289 3.788 -7.193 1.00 0.00 C ATOM 954 O THR A 71 -7.127 2.995 -6.765 1.00 0.00 O ATOM 955 CB THR A 71 -5.389 2.809 -9.294 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.576 1.383 -9.309 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.314 3.216 -10.286 1.00 0.00 C ATOM 0 H THR A 71 -5.017 1.429 -6.922 1.00 0.00 H new ATOM 0 HA THR A 71 -4.308 4.095 -7.951 1.00 0.00 H new ATOM 0 HB THR A 71 -6.323 3.286 -9.592 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.143 1.005 -10.103 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.588 2.868 -11.282 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.219 4.302 -10.294 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.363 2.771 -9.995 1.00 0.00 H new ATOM 965 N ALA A 72 -6.395 5.101 -7.056 1.00 0.00 N ATOM 966 CA ALA A 72 -7.563 5.706 -6.439 1.00 0.00 C ATOM 967 C ALA A 72 -7.682 7.180 -6.814 1.00 0.00 C ATOM 968 O ALA A 72 -6.738 7.782 -7.333 1.00 0.00 O ATOM 969 CB ALA A 72 -7.515 5.542 -4.930 1.00 0.00 C ATOM 0 H ALA A 72 -5.686 5.767 -7.364 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.446 5.191 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.398 6.001 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.493 4.481 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.619 6.025 -4.540 1.00 0.00 H new ATOM 975 N SER A 73 -8.852 7.743 -6.560 1.00 0.00 N ATOM 976 CA SER A 73 -9.119 9.142 -6.849 1.00 0.00 C ATOM 977 C SER A 73 -9.275 9.887 -5.532 1.00 0.00 C ATOM 978 O SER A 73 -10.147 9.554 -4.723 1.00 0.00 O ATOM 979 CB SER A 73 -10.380 9.279 -7.709 1.00 0.00 C ATOM 980 OG SER A 73 -10.588 10.620 -8.115 1.00 0.00 O ATOM 0 H SER A 73 -9.641 7.245 -6.149 1.00 0.00 H new ATOM 0 HA SER A 73 -8.290 9.571 -7.412 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.293 8.641 -8.588 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.245 8.930 -7.146 1.00 0.00 H new ATOM 0 HG SER A 73 -11.550 10.803 -8.159 1.00 0.00 H new ATOM 985 N CYS A 74 -8.433 10.882 -5.309 1.00 0.00 N ATOM 986 CA CYS A 74 -8.468 11.625 -4.058 1.00 0.00 C ATOM 987 C CYS A 74 -8.762 13.104 -4.253 1.00 0.00 C ATOM 988 O CYS A 74 -8.472 13.680 -5.301 1.00 0.00 O ATOM 989 CB CYS A 74 -7.128 11.482 -3.353 1.00 0.00 C ATOM 990 SG CYS A 74 -6.569 9.769 -3.178 1.00 0.00 S ATOM 0 H CYS A 74 -7.722 11.193 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.278 11.206 -3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.376 12.044 -3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.199 11.933 -2.363 1.00 0.00 H new ATOM 994 N LYS A 75 -9.356 13.702 -3.228 1.00 0.00 N ATOM 995 CA LYS A 75 -9.670 15.121 -3.231 1.00 0.00 C ATOM 996 C LYS A 75 -8.610 15.885 -2.436 1.00 0.00 C ATOM 997 O LYS A 75 -8.088 15.374 -1.445 1.00 0.00 O ATOM 998 CB LYS A 75 -11.076 15.356 -2.646 1.00 0.00 C ATOM 999 CG LYS A 75 -11.392 16.811 -2.327 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.085 17.142 -0.873 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.036 18.639 -0.641 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.994 18.980 0.805 1.00 0.00 N ATOM 0 H LYS A 75 -9.632 13.217 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.666 15.490 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.817 14.983 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.180 14.767 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.811 17.462 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.444 17.010 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.845 16.698 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.130 16.698 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.158 19.054 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.909 19.105 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.961 20.013 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.844 18.608 1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.147 18.558 1.237 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.284 17.096 -2.876 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.300 17.899 -2.167 1.00 0.00 C ATOM 1014 C GLY A 76 -6.617 18.909 -3.064 1.00 0.00 C ATOM 1015 O GLY A 76 -6.143 19.944 -2.597 1.00 0.00 O ATOM 0 H GLY A 76 -8.680 17.536 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.788 18.421 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.549 17.242 -1.728 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.537 18.582 -4.347 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.931 19.458 -5.340 1.00 0.00 C ATOM 1021 C ALA A 77 -6.594 20.834 -5.368 1.00 0.00 C ATOM 1022 O ALA A 77 -5.910 21.854 -5.476 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.993 18.809 -6.714 1.00 0.00 C ATOM 0 H ALA A 77 -6.890 17.704 -4.728 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.888 19.607 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.538 19.471 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.453 17.863 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.033 18.627 -6.984 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.918 20.856 -5.246 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.677 22.106 -5.266 1.00 0.00 C ATOM 1031 C ASP A 78 -10.141 21.828 -4.967 1.00 0.00 C ATOM 1032 O ASP A 78 -11.028 22.161 -5.750 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.547 22.801 -6.627 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.143 24.195 -6.627 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.712 25.028 -5.800 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.038 24.469 -7.454 1.00 0.00 O ATOM 0 H ASP A 78 -8.491 20.020 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.270 22.767 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.494 22.860 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.042 22.198 -7.388 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.388 21.169 -3.844 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.748 20.839 -3.455 1.00 0.00 C ATOM 1042 C GLY A 79 -12.375 19.817 -4.383 1.00 0.00 C ATOM 1043 O GLY A 79 -13.563 19.517 -4.282 1.00 0.00 O ATOM 0 H GLY A 79 -9.669 20.855 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.749 20.452 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.354 21.745 -3.452 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.572 19.293 -5.295 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.026 18.302 -6.251 1.00 0.00 C ATOM 1049 C GLN A 80 -11.126 17.078 -6.184 1.00 0.00 C ATOM 1050 O GLN A 80 -10.071 17.109 -5.543 1.00 0.00 O ATOM 1051 CB GLN A 80 -12.020 18.877 -7.669 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.631 19.212 -8.189 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.645 19.666 -9.634 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.508 19.267 -10.419 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.681 20.493 -10.001 1.00 0.00 N ATOM 0 H GLN A 80 -10.588 19.544 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.047 18.016 -6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.487 18.160 -8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.632 19.779 -7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.194 19.996 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.990 18.336 -8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.986 20.800 -9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.633 20.824 -10.964 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.544 16.016 -6.851 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.790 14.773 -6.874 1.00 0.00 C ATOM 1064 C TYR A 81 -9.964 14.663 -8.153 1.00 0.00 C ATOM 1065 O TYR A 81 -10.114 15.474 -9.070 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.747 13.583 -6.757 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.823 13.574 -7.820 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.609 12.948 -9.037 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.040 14.208 -7.611 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.574 12.950 -10.018 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.017 14.212 -8.586 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.778 13.583 -9.789 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.746 13.598 -10.767 1.00 0.00 O ATOM 0 H TYR A 81 -12.410 15.990 -7.389 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.105 14.766 -6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.175 12.658 -6.821 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.217 13.599 -5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.668 12.450 -9.219 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.225 14.706 -6.671 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.390 12.459 -10.962 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -15.962 14.704 -8.408 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.532 14.085 -10.442 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.104 13.656 -8.206 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.252 13.421 -9.360 1.00 0.00 C ATOM 1084 C HIS A 82 -7.766 11.979 -9.337 1.00 0.00 C ATOM 1085 O HIS A 82 -7.521 11.416 -8.270 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.048 14.369 -9.341 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.351 14.485 -10.665 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -5.458 13.545 -11.145 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.423 15.445 -11.614 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -5.016 13.929 -12.326 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -5.584 15.076 -12.634 1.00 0.00 N ATOM 0 H HIS A 82 -8.978 12.981 -7.452 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.826 13.606 -10.268 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.381 15.359 -9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.335 14.021 -8.594 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.184 12.689 -10.662 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.029 16.338 -11.576 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.307 13.392 -12.938 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.624 11.392 -10.511 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.164 10.016 -10.634 1.00 0.00 C ATOM 1101 C ASP A 83 -5.662 9.942 -10.408 1.00 0.00 C ATOM 1102 O ASP A 83 -4.910 10.760 -10.940 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.513 9.465 -12.021 1.00 0.00 C ATOM 1104 CG ASP A 83 -6.925 8.092 -12.277 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -7.570 7.087 -11.915 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -5.821 8.014 -12.858 1.00 0.00 O ATOM 0 H ASP A 83 -7.822 11.849 -11.401 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.664 9.411 -9.877 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.597 9.415 -12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.152 10.157 -12.782 1.00 0.00 H new ATOM 1110 N SER A 84 -5.233 8.995 -9.587 1.00 0.00 N ATOM 1111 CA SER A 84 -3.818 8.820 -9.313 1.00 0.00 C ATOM 1112 C SER A 84 -3.497 7.376 -8.954 1.00 0.00 C ATOM 1113 O SER A 84 -4.399 6.574 -8.681 1.00 0.00 O ATOM 1114 CB SER A 84 -3.380 9.756 -8.185 1.00 0.00 C ATOM 1115 OG SER A 84 -4.186 9.587 -7.033 1.00 0.00 O ATOM 0 H SER A 84 -5.844 8.339 -9.101 1.00 0.00 H new ATOM 0 HA SER A 84 -3.266 9.070 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.337 9.562 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.439 10.790 -8.524 1.00 0.00 H new ATOM 0 HG SER A 84 -4.893 8.935 -7.221 1.00 0.00 H new ATOM 1120 N SER A 85 -2.212 7.053 -8.965 1.00 0.00 N ATOM 1121 CA SER A 85 -1.754 5.717 -8.636 1.00 0.00 C ATOM 1122 C SER A 85 -0.504 5.782 -7.776 1.00 0.00 C ATOM 1123 O SER A 85 0.166 6.814 -7.710 1.00 0.00 O ATOM 1124 CB SER A 85 -1.446 4.917 -9.900 1.00 0.00 C ATOM 1125 OG SER A 85 -2.011 5.519 -11.053 1.00 0.00 O ATOM 0 H SER A 85 -1.465 7.706 -9.201 1.00 0.00 H new ATOM 0 HA SER A 85 -2.553 5.221 -8.086 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.366 4.835 -10.025 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.832 3.904 -9.792 1.00 0.00 H new ATOM 0 HG SER A 85 -1.793 4.982 -11.843 1.00 0.00 H new ATOM 1130 N MET A 86 -0.198 4.676 -7.124 1.00 0.00 N ATOM 1131 CA MET A 86 0.968 4.581 -6.272 1.00 0.00 C ATOM 1132 C MET A 86 1.527 3.169 -6.291 1.00 0.00 C ATOM 1133 O MET A 86 0.851 2.219 -5.903 1.00 0.00 O ATOM 1134 CB MET A 86 0.607 4.988 -4.843 1.00 0.00 C ATOM 1135 CG MET A 86 1.745 4.815 -3.851 1.00 0.00 C ATOM 1136 SD MET A 86 3.323 5.393 -4.513 1.00 0.00 S ATOM 1137 CE MET A 86 2.886 7.044 -5.060 1.00 0.00 C ATOM 0 H MET A 86 -0.751 3.820 -7.171 1.00 0.00 H new ATOM 0 HA MET A 86 1.733 5.260 -6.650 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.291 6.031 -4.841 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.246 4.396 -4.511 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.514 5.363 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.831 3.763 -3.579 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.770 7.540 -5.461 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.123 6.980 -5.836 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.499 7.616 -4.217 1.00 0.00 H new ATOM 1145 N ASP A 87 2.756 3.029 -6.758 1.00 0.00 N ATOM 1146 CA ASP A 87 3.386 1.722 -6.812 1.00 0.00 C ATOM 1147 C ASP A 87 3.796 1.293 -5.412 1.00 0.00 C ATOM 1148 O ASP A 87 4.743 1.825 -4.834 1.00 0.00 O ATOM 1149 CB ASP A 87 4.598 1.724 -7.739 1.00 0.00 C ATOM 1150 CG ASP A 87 5.080 0.320 -8.025 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.250 -0.615 -7.981 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.281 0.143 -8.309 1.00 0.00 O ATOM 0 H ASP A 87 3.333 3.797 -7.102 1.00 0.00 H new ATOM 0 HA ASP A 87 2.663 1.012 -7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.340 2.219 -8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.404 2.301 -7.285 1.00 0.00 H new ATOM 1156 N LEU A 88 3.070 0.330 -4.875 1.00 0.00 N ATOM 1157 CA LEU A 88 3.317 -0.177 -3.535 1.00 0.00 C ATOM 1158 C LEU A 88 4.534 -1.083 -3.525 1.00 0.00 C ATOM 1159 O LEU A 88 4.998 -1.493 -2.460 1.00 0.00 O ATOM 1160 CB LEU A 88 2.100 -0.947 -3.020 1.00 0.00 C ATOM 1161 CG LEU A 88 0.742 -0.292 -3.282 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.374 -1.135 -2.687 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.707 1.119 -2.712 1.00 0.00 C ATOM 0 H LEU A 88 2.292 -0.124 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 88 3.502 0.674 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.100 -1.937 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.212 -1.091 -1.945 1.00 0.00 H new ATOM 0 HG LEU A 88 0.592 -0.228 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.334 -0.657 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.364 -2.126 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.226 -1.228 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.267 1.567 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.878 1.081 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.485 1.721 -3.182 1.00 0.00 H new ATOM 1174 N ASN A 89 5.032 -1.416 -4.715 1.00 0.00 N ATOM 1175 CA ASN A 89 6.212 -2.274 -4.851 1.00 0.00 C ATOM 1176 C ASN A 89 7.350 -1.813 -3.943 1.00 0.00 C ATOM 1177 O ASN A 89 8.151 -2.624 -3.481 1.00 0.00 O ATOM 1178 CB ASN A 89 6.713 -2.307 -6.300 1.00 0.00 C ATOM 1179 CG ASN A 89 6.049 -3.374 -7.156 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.824 -3.174 -8.348 1.00 0.00 O ATOM 1181 ND2 ASN A 89 5.767 -4.534 -6.574 1.00 0.00 N ATOM 0 H ASN A 89 4.637 -1.104 -5.602 1.00 0.00 H new ATOM 0 HA ASN A 89 5.903 -3.276 -4.553 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.543 -1.331 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.790 -2.474 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.352 -5.290 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.966 -4.669 -5.583 1.00 0.00 H new ATOM 1187 N TYR A 90 7.408 -0.516 -3.666 1.00 0.00 N ATOM 1188 CA TYR A 90 8.457 0.012 -2.818 1.00 0.00 C ATOM 1189 C TYR A 90 7.891 0.673 -1.567 1.00 0.00 C ATOM 1190 O TYR A 90 8.549 1.511 -0.947 1.00 0.00 O ATOM 1191 CB TYR A 90 9.359 0.977 -3.599 1.00 0.00 C ATOM 1192 CG TYR A 90 8.648 2.154 -4.233 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.067 2.053 -5.493 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.582 3.377 -3.579 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.441 3.135 -6.077 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.961 4.464 -4.160 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.392 4.336 -5.408 1.00 0.00 C ATOM 1198 OH TYR A 90 6.777 5.415 -5.990 1.00 0.00 O ATOM 0 H TYR A 90 6.747 0.179 -4.014 1.00 0.00 H new ATOM 0 HA TYR A 90 9.068 -0.828 -2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.127 1.357 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.871 0.417 -4.382 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.107 1.113 -6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 90 9.024 3.479 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.992 3.040 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.921 5.409 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 90 6.604 6.099 -5.310 1.00 0.00 H new ATOM 1207 N VAL A 91 6.663 0.302 -1.202 1.00 0.00 N ATOM 1208 CA VAL A 91 6.033 0.844 -0.001 1.00 0.00 C ATOM 1209 C VAL A 91 5.523 -0.286 0.900 1.00 0.00 C ATOM 1210 O VAL A 91 5.148 -0.060 2.052 1.00 0.00 O ATOM 1211 CB VAL A 91 4.889 1.850 -0.309 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.200 2.681 -1.522 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.536 1.198 -0.467 1.00 0.00 C ATOM 0 H VAL A 91 6.090 -0.366 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 91 6.807 1.404 0.524 1.00 0.00 H new ATOM 0 HB VAL A 91 4.831 2.496 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.379 3.374 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.118 3.244 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.329 2.029 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.787 1.961 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.570 0.483 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.273 0.679 0.454 1.00 0.00 H new ATOM 1223 N VAL A 92 5.533 -1.504 0.366 1.00 0.00 N ATOM 1224 CA VAL A 92 5.091 -2.681 1.107 1.00 0.00 C ATOM 1225 C VAL A 92 5.832 -3.927 0.618 1.00 0.00 C ATOM 1226 O VAL A 92 6.103 -4.071 -0.578 1.00 0.00 O ATOM 1227 CB VAL A 92 3.559 -2.888 0.995 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.126 -3.034 -0.449 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.097 -4.087 1.816 1.00 0.00 C ATOM 0 H VAL A 92 5.845 -1.702 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 92 5.326 -2.516 2.158 1.00 0.00 H new ATOM 0 HB VAL A 92 3.083 -1.996 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.046 -3.178 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.395 -2.134 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.625 -3.895 -0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.018 -4.203 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.594 -4.988 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.348 -3.928 2.865 1.00 0.00 H new ATOM 1239 N GLY A 93 6.178 -4.811 1.547 1.00 0.00 N ATOM 1240 CA GLY A 93 6.887 -6.019 1.193 1.00 0.00 C ATOM 1241 C GLY A 93 6.313 -7.257 1.848 1.00 0.00 C ATOM 1242 O GLY A 93 5.232 -7.220 2.441 1.00 0.00 O ATOM 0 H GLY A 93 5.978 -4.709 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.863 -6.143 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.934 -5.916 1.479 1.00 0.00 H new ATOM 1246 N ASN A 94 7.059 -8.344 1.750 1.00 0.00 N ATOM 1247 CA ASN A 94 6.656 -9.626 2.307 1.00 0.00 C ATOM 1248 C ASN A 94 7.802 -10.243 3.092 1.00 0.00 C ATOM 1249 O ASN A 94 8.919 -10.360 2.591 1.00 0.00 O ATOM 1250 CB ASN A 94 6.229 -10.574 1.178 1.00 0.00 C ATOM 1251 CG ASN A 94 6.034 -12.010 1.644 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.608 -12.268 2.771 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.364 -12.956 0.778 1.00 0.00 N ATOM 0 H ASN A 94 7.964 -8.363 1.281 1.00 0.00 H new ATOM 0 HA ASN A 94 5.814 -9.467 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.299 -10.211 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.982 -10.553 0.390 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.269 -13.938 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.713 -12.702 -0.146 1.00 0.00 H new ATOM 1259 N SER A 95 7.525 -10.619 4.326 1.00 0.00 N ATOM 1260 CA SER A 95 8.513 -11.236 5.179 1.00 0.00 C ATOM 1261 C SER A 95 7.878 -12.374 5.961 1.00 0.00 C ATOM 1262 O SER A 95 7.014 -12.141 6.803 1.00 0.00 O ATOM 1263 CB SER A 95 9.101 -10.210 6.140 1.00 0.00 C ATOM 1264 OG SER A 95 9.865 -9.233 5.448 1.00 0.00 O ATOM 0 H SER A 95 6.610 -10.504 4.761 1.00 0.00 H new ATOM 0 HA SER A 95 9.316 -11.631 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.297 -9.722 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.730 -10.714 6.873 1.00 0.00 H new ATOM 0 HG SER A 95 10.228 -8.587 6.089 1.00 0.00 H new ATOM 1269 N TYR A 96 8.290 -13.601 5.651 1.00 0.00 N ATOM 1270 CA TYR A 96 7.773 -14.792 6.325 1.00 0.00 C ATOM 1271 C TYR A 96 6.253 -14.886 6.192 1.00 0.00 C ATOM 1272 O TYR A 96 5.559 -15.263 7.138 1.00 0.00 O ATOM 1273 CB TYR A 96 8.173 -14.794 7.806 1.00 0.00 C ATOM 1274 CG TYR A 96 9.667 -14.719 8.039 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.445 -15.869 8.066 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.298 -13.496 8.236 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.809 -15.803 8.282 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.658 -13.422 8.452 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.409 -14.577 8.475 1.00 0.00 C ATOM 1280 OH TYR A 96 13.766 -14.503 8.694 1.00 0.00 O ATOM 0 H TYR A 96 8.986 -13.798 4.932 1.00 0.00 H new ATOM 0 HA TYR A 96 8.214 -15.663 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.695 -13.949 8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.787 -15.699 8.275 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.977 -16.831 7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.713 -12.588 8.220 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.401 -16.706 8.299 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.132 -12.463 8.602 1.00 0.00 H new ATOM 0 HH TYR A 96 14.028 -13.566 8.810 1.00 0.00 H new ATOM 1289 N GLY A 97 5.749 -14.555 5.003 1.00 0.00 N ATOM 1290 CA GLY A 97 4.320 -14.597 4.747 1.00 0.00 C ATOM 1291 C GLY A 97 3.537 -13.653 5.638 1.00 0.00 C ATOM 1292 O GLY A 97 2.328 -13.816 5.818 1.00 0.00 O ATOM 0 H GLY A 97 6.313 -14.256 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.135 -14.342 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.958 -15.614 4.896 1.00 0.00 H new ATOM 1296 N TYR A 98 4.223 -12.666 6.194 1.00 0.00 N ATOM 1297 CA TYR A 98 3.598 -11.705 7.082 1.00 0.00 C ATOM 1298 C TYR A 98 3.667 -10.307 6.480 1.00 0.00 C ATOM 1299 O TYR A 98 4.613 -9.977 5.758 1.00 0.00 O ATOM 1300 CB TYR A 98 4.291 -11.745 8.447 1.00 0.00 C ATOM 1301 CG TYR A 98 3.644 -10.867 9.496 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.301 -11.016 9.825 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.376 -9.890 10.159 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.709 -10.218 10.784 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.790 -9.091 11.121 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.458 -9.259 11.430 1.00 0.00 C ATOM 1307 OH TYR A 98 1.872 -8.466 12.390 1.00 0.00 O ATOM 0 H TYR A 98 5.220 -12.511 6.043 1.00 0.00 H new ATOM 0 HA TYR A 98 2.547 -11.964 7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.302 -12.774 8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.330 -11.439 8.324 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.711 -11.768 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.420 -9.753 9.918 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.664 -10.345 11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.374 -8.338 11.629 1.00 0.00 H new ATOM 0 HH TYR A 98 2.537 -7.842 12.749 1.00 0.00 H new ATOM 1316 N MET A 99 2.643 -9.507 6.761 1.00 0.00 N ATOM 1317 CA MET A 99 2.572 -8.142 6.261 1.00 0.00 C ATOM 1318 C MET A 99 3.735 -7.301 6.775 1.00 0.00 C ATOM 1319 O MET A 99 3.889 -7.094 7.978 1.00 0.00 O ATOM 1320 CB MET A 99 1.248 -7.476 6.656 1.00 0.00 C ATOM 1321 CG MET A 99 1.026 -7.366 8.161 1.00 0.00 C ATOM 1322 SD MET A 99 -0.352 -6.286 8.585 1.00 0.00 S ATOM 1323 CE MET A 99 -0.299 -6.368 10.374 1.00 0.00 C ATOM 0 H MET A 99 1.848 -9.785 7.336 1.00 0.00 H new ATOM 0 HA MET A 99 2.632 -8.198 5.174 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.213 -6.477 6.221 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.425 -8.042 6.219 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.843 -8.359 8.570 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.935 -6.990 8.631 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.094 -5.749 10.790 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.437 -7.400 10.695 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.666 -6.005 10.726 1.00 0.00 H new ATOM 1331 N GLU A 100 4.553 -6.833 5.853 1.00 0.00 N ATOM 1332 CA GLU A 100 5.688 -5.991 6.186 1.00 0.00 C ATOM 1333 C GLU A 100 5.754 -4.816 5.226 1.00 0.00 C ATOM 1334 O GLU A 100 6.516 -4.823 4.264 1.00 0.00 O ATOM 1335 CB GLU A 100 6.993 -6.787 6.159 1.00 0.00 C ATOM 1336 CG GLU A 100 7.317 -7.447 7.486 1.00 0.00 C ATOM 1337 CD GLU A 100 7.658 -6.439 8.564 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.785 -5.903 8.540 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.806 -6.170 9.430 1.00 0.00 O ATOM 0 H GLU A 100 4.452 -7.024 4.856 1.00 0.00 H new ATOM 0 HA GLU A 100 5.555 -5.614 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.928 -7.553 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.811 -6.122 5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.465 -8.046 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.155 -8.131 7.353 1.00 0.00 H new ATOM 1344 N PRO A 101 4.922 -3.797 5.464 1.00 0.00 N ATOM 1345 CA PRO A 101 4.870 -2.605 4.622 1.00 0.00 C ATOM 1346 C PRO A 101 6.096 -1.727 4.787 1.00 0.00 C ATOM 1347 O PRO A 101 6.098 -0.745 5.532 1.00 0.00 O ATOM 1348 CB PRO A 101 3.627 -1.878 5.098 1.00 0.00 C ATOM 1349 CG PRO A 101 3.436 -2.327 6.506 1.00 0.00 C ATOM 1350 CD PRO A 101 3.964 -3.731 6.579 1.00 0.00 C ATOM 0 HA PRO A 101 4.844 -2.861 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.756 -0.797 5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.763 -2.128 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.970 -1.675 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.383 -2.293 6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.448 -3.929 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.167 -4.466 6.467 1.00 0.00 H new ATOM 1355 N CYS A 102 7.129 -2.093 4.077 1.00 0.00 N ATOM 1356 CA CYS A 102 8.379 -1.371 4.119 1.00 0.00 C ATOM 1357 C CYS A 102 8.547 -0.531 2.869 1.00 0.00 C ATOM 1358 O CYS A 102 8.407 -1.019 1.748 1.00 0.00 O ATOM 1359 CB CYS A 102 9.555 -2.335 4.289 1.00 0.00 C ATOM 1360 SG CYS A 102 9.471 -3.820 3.232 1.00 0.00 S ATOM 0 H CYS A 102 7.131 -2.899 3.452 1.00 0.00 H new ATOM 0 HA CYS A 102 8.363 -0.703 4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.481 -1.802 4.072 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.604 -2.648 5.332 1.00 0.00 H new