USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 490 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 7 ASN : amide:sc= 1.06 K(o=2.6,f=-9.3!) USER MOD Set 1.2: A 14 TYR OH : rot -14:sc= 1.57 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 179:sc= -0.0255 (180deg=-0.0262) USER MOD Single : A 26 THR OG1 : rot -83:sc= 0.0224 USER MOD Single : A 33 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.2) USER MOD Single : A 36 CYS SG : rot 7:sc= -4.14! USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0537 (180deg=-0.225) USER MOD Single : A 41 THR OG1 : rot 53:sc= 1.35 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 1.05 (180deg=0.687) USER MOD Single : A 43 HIS : no HD1:sc= -8.41! C(o=-8.4!,f=-13!) USER MOD Single : A 46 TYR OH : rot 180:sc= -2.19! USER MOD Single : A 47 TYR OH : rot -15:sc= -0.32 USER MOD Single : A 59 SER OG : rot 34:sc= 1.67 USER MOD Single : A 61 LYS NZ :NH3+ -109:sc= -0.687 (180deg=-4.01!) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 1.2 (180deg=0.987) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -11.351 2.493 -5.353 1.00 0.00 N ATOM 2 CA ASP A 2 -10.866 1.168 -5.670 1.00 0.00 C ATOM 3 C ASP A 2 -9.344 1.210 -5.755 1.00 0.00 C ATOM 4 O ASP A 2 -8.768 1.621 -6.763 1.00 0.00 O ATOM 5 CB ASP A 2 -11.481 0.665 -6.989 1.00 0.00 C ATOM 6 CG ASP A 2 -10.606 -0.335 -7.741 1.00 0.00 C ATOM 7 OD1 ASP A 2 -10.170 -1.333 -7.140 1.00 0.00 O ATOM 8 OD2 ASP A 2 -10.350 -0.122 -8.951 1.00 0.00 O ATOM 0 HA ASP A 2 -11.163 0.471 -4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.444 0.201 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.676 1.520 -7.636 1.00 0.00 H new ATOM 13 N LEU A 3 -8.704 0.814 -4.672 1.00 0.00 N ATOM 14 CA LEU A 3 -7.283 0.828 -4.568 1.00 0.00 C ATOM 15 C LEU A 3 -6.773 -0.583 -4.802 1.00 0.00 C ATOM 16 O LEU A 3 -7.374 -1.549 -4.313 1.00 0.00 O ATOM 17 CB LEU A 3 -6.938 1.342 -3.175 1.00 0.00 C ATOM 18 CG LEU A 3 -5.746 0.685 -2.531 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.477 1.431 -2.885 1.00 0.00 C ATOM 20 CD2 LEU A 3 -5.936 0.610 -1.032 1.00 0.00 C ATOM 0 H LEU A 3 -9.176 0.471 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.814 1.477 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.754 2.415 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.804 1.203 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.655 -0.332 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.624 0.944 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.343 1.428 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.549 2.460 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.067 0.133 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.049 1.616 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.829 0.027 -0.807 1.00 0.00 H new ATOM 32 N THR A 4 -5.691 -0.724 -5.556 1.00 0.00 N ATOM 33 CA THR A 4 -5.259 -2.036 -5.971 1.00 0.00 C ATOM 34 C THR A 4 -4.008 -2.429 -5.234 1.00 0.00 C ATOM 35 O THR A 4 -2.950 -1.850 -5.451 1.00 0.00 O ATOM 36 CB THR A 4 -4.960 -2.075 -7.476 1.00 0.00 C ATOM 37 OG1 THR A 4 -6.016 -1.431 -8.205 1.00 0.00 O ATOM 38 CG2 THR A 4 -4.803 -3.513 -7.952 1.00 0.00 C ATOM 0 H THR A 4 -5.109 0.046 -5.885 1.00 0.00 H new ATOM 0 HA THR A 4 -6.069 -2.730 -5.745 1.00 0.00 H new ATOM 0 HB THR A 4 -4.026 -1.544 -7.657 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.816 -1.459 -9.164 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.591 -3.521 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.980 -3.986 -7.416 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.725 -4.062 -7.760 1.00 0.00 H new ATOM 46 N ILE A 5 -4.086 -3.405 -4.368 1.00 0.00 N ATOM 47 CA ILE A 5 -2.876 -3.848 -3.727 1.00 0.00 C ATOM 48 C ILE A 5 -2.329 -5.007 -4.526 1.00 0.00 C ATOM 49 O ILE A 5 -3.088 -5.874 -4.963 1.00 0.00 O ATOM 50 CB ILE A 5 -3.041 -4.343 -2.280 1.00 0.00 C ATOM 51 CG1 ILE A 5 -3.787 -3.389 -1.359 1.00 0.00 C ATOM 52 CG2 ILE A 5 -1.667 -4.595 -1.697 1.00 0.00 C ATOM 53 CD1 ILE A 5 -5.209 -3.067 -1.760 1.00 0.00 C ATOM 0 H ILE A 5 -4.940 -3.893 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.223 -2.976 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.647 -5.247 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.800 -3.817 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.226 -2.457 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.766 -4.947 -0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.153 -5.350 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.091 -3.670 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.645 -2.380 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.213 -2.604 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.796 -3.985 -1.788 1.00 0.00 H new ATOM 65 N SER A 6 -1.034 -5.049 -4.714 1.00 0.00 N ATOM 66 CA SER A 6 -0.447 -6.166 -5.379 1.00 0.00 C ATOM 67 C SER A 6 0.715 -6.618 -4.583 1.00 0.00 C ATOM 68 O SER A 6 1.637 -5.869 -4.306 1.00 0.00 O ATOM 69 CB SER A 6 0.004 -5.828 -6.771 1.00 0.00 C ATOM 70 OG SER A 6 -0.376 -4.508 -7.124 1.00 0.00 O ATOM 0 H SER A 6 -0.378 -4.327 -4.416 1.00 0.00 H new ATOM 0 HA SER A 6 -1.199 -6.950 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.087 -5.929 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.428 -6.536 -7.479 1.00 0.00 H new ATOM 0 HG SER A 6 -0.069 -4.312 -8.034 1.00 0.00 H new ATOM 76 N ASN A 7 0.647 -7.841 -4.223 1.00 0.00 N ATOM 77 CA ASN A 7 1.636 -8.430 -3.383 1.00 0.00 C ATOM 78 C ASN A 7 2.827 -8.778 -4.245 1.00 0.00 C ATOM 79 O ASN A 7 2.848 -9.796 -4.915 1.00 0.00 O ATOM 80 CB ASN A 7 1.026 -9.630 -2.678 1.00 0.00 C ATOM 81 CG ASN A 7 1.958 -10.333 -1.743 1.00 0.00 C ATOM 82 OD1 ASN A 7 3.176 -10.378 -1.933 1.00 0.00 O ATOM 83 ND2 ASN A 7 1.373 -10.905 -0.727 1.00 0.00 N ATOM 0 H ASN A 7 -0.101 -8.476 -4.501 1.00 0.00 H new ATOM 0 HA ASN A 7 1.980 -7.750 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.149 -9.302 -2.120 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.679 -10.340 -3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.927 -11.420 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.361 -10.837 -0.617 1.00 0.00 H new ATOM 90 N GLU A 8 3.809 -7.899 -4.221 1.00 0.00 N ATOM 91 CA GLU A 8 4.939 -7.953 -5.177 1.00 0.00 C ATOM 92 C GLU A 8 5.799 -9.184 -4.989 1.00 0.00 C ATOM 93 O GLU A 8 6.609 -9.536 -5.849 1.00 0.00 O ATOM 94 CB GLU A 8 5.837 -6.724 -5.048 1.00 0.00 C ATOM 95 CG GLU A 8 5.568 -5.655 -6.075 1.00 0.00 C ATOM 96 CD GLU A 8 5.901 -6.107 -7.483 1.00 0.00 C ATOM 97 OE1 GLU A 8 7.076 -5.988 -7.889 1.00 0.00 O ATOM 98 OE2 GLU A 8 4.992 -6.595 -8.187 1.00 0.00 O ATOM 0 H GLU A 8 3.863 -7.129 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 8 4.483 -7.985 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.710 -6.297 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.878 -7.038 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.518 -5.366 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.153 -4.768 -5.833 1.00 0.00 H new ATOM 105 N LEU A 9 5.615 -9.820 -3.872 1.00 0.00 N ATOM 106 CA LEU A 9 6.432 -10.933 -3.483 1.00 0.00 C ATOM 107 C LEU A 9 5.803 -12.234 -3.932 1.00 0.00 C ATOM 108 O LEU A 9 6.466 -13.108 -4.486 1.00 0.00 O ATOM 109 CB LEU A 9 6.551 -10.904 -1.975 1.00 0.00 C ATOM 110 CG LEU A 9 7.313 -9.708 -1.414 1.00 0.00 C ATOM 111 CD1 LEU A 9 6.809 -9.411 -0.029 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.816 -9.975 -1.418 1.00 0.00 C ATOM 0 H LEU A 9 4.888 -9.580 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 9 7.415 -10.863 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.549 -10.912 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.046 -11.818 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 9 7.142 -8.836 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.349 -8.557 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.744 -9.181 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.968 -10.280 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.340 -9.109 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.032 -10.849 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.150 -10.158 -2.439 1.00 0.00 H new ATOM 124 N THR A 10 4.518 -12.353 -3.675 1.00 0.00 N ATOM 125 CA THR A 10 3.812 -13.561 -3.891 1.00 0.00 C ATOM 126 C THR A 10 2.920 -13.476 -5.130 1.00 0.00 C ATOM 127 O THR A 10 2.527 -14.487 -5.715 1.00 0.00 O ATOM 128 CB THR A 10 3.058 -13.873 -2.603 1.00 0.00 C ATOM 129 OG1 THR A 10 3.842 -14.725 -1.756 1.00 0.00 O ATOM 130 CG2 THR A 10 1.759 -14.489 -2.917 1.00 0.00 C ATOM 0 H THR A 10 3.943 -11.595 -3.307 1.00 0.00 H new ATOM 0 HA THR A 10 4.490 -14.386 -4.110 1.00 0.00 H new ATOM 0 HB THR A 10 2.876 -12.943 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.345 -14.915 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.227 -14.709 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.167 -13.802 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.919 -15.414 -3.471 1.00 0.00 H new ATOM 138 N GLY A 11 2.654 -12.264 -5.547 1.00 0.00 N ATOM 139 CA GLY A 11 1.955 -12.044 -6.798 1.00 0.00 C ATOM 140 C GLY A 11 0.452 -12.023 -6.644 1.00 0.00 C ATOM 141 O GLY A 11 -0.282 -12.075 -7.635 1.00 0.00 O ATOM 0 H GLY A 11 2.908 -11.414 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.283 -11.098 -7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.231 -12.828 -7.504 1.00 0.00 H new ATOM 145 N GLU A 12 -0.008 -11.952 -5.406 1.00 0.00 N ATOM 146 CA GLU A 12 -1.408 -11.869 -5.133 1.00 0.00 C ATOM 147 C GLU A 12 -1.892 -10.510 -5.481 1.00 0.00 C ATOM 148 O GLU A 12 -1.157 -9.525 -5.450 1.00 0.00 O ATOM 149 CB GLU A 12 -1.748 -12.112 -3.680 1.00 0.00 C ATOM 150 CG GLU A 12 -1.229 -13.426 -3.133 1.00 0.00 C ATOM 151 CD GLU A 12 -1.629 -13.665 -1.694 1.00 0.00 C ATOM 152 OE1 GLU A 12 -0.902 -13.208 -0.794 1.00 0.00 O ATOM 153 OE2 GLU A 12 -2.676 -14.301 -1.457 1.00 0.00 O ATOM 0 H GLU A 12 0.585 -11.951 -4.576 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.886 -12.646 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.342 -11.296 -3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.831 -12.085 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.604 -14.243 -3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.142 -13.441 -3.210 1.00 0.00 H new ATOM 160 N ILE A 13 -3.140 -10.483 -5.720 1.00 0.00 N ATOM 161 CA ILE A 13 -3.820 -9.294 -6.171 1.00 0.00 C ATOM 162 C ILE A 13 -5.056 -9.076 -5.343 1.00 0.00 C ATOM 163 O ILE A 13 -6.031 -9.829 -5.419 1.00 0.00 O ATOM 164 CB ILE A 13 -4.197 -9.340 -7.665 1.00 0.00 C ATOM 165 CG1 ILE A 13 -2.958 -9.578 -8.522 1.00 0.00 C ATOM 166 CG2 ILE A 13 -4.866 -8.035 -8.067 1.00 0.00 C ATOM 167 CD1 ILE A 13 -1.811 -8.657 -8.171 1.00 0.00 C ATOM 0 H ILE A 13 -3.750 -11.293 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.124 -8.464 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.892 -10.164 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.635 -10.612 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.218 -9.442 -9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.131 -8.072 -9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.768 -7.890 -7.472 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.180 -7.206 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.959 -8.875 -8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.119 -7.621 -8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.527 -8.810 -7.130 1.00 0.00 H new ATOM 179 N TYR A 14 -4.989 -8.052 -4.539 1.00 0.00 N ATOM 180 CA TYR A 14 -6.046 -7.743 -3.599 1.00 0.00 C ATOM 181 C TYR A 14 -6.945 -6.686 -4.190 1.00 0.00 C ATOM 182 O TYR A 14 -6.477 -5.764 -4.881 1.00 0.00 O ATOM 183 CB TYR A 14 -5.394 -7.290 -2.318 1.00 0.00 C ATOM 184 CG TYR A 14 -4.392 -8.232 -1.878 1.00 0.00 C ATOM 185 CD1 TYR A 14 -4.628 -9.598 -1.769 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.200 -7.745 -1.603 1.00 0.00 C ATOM 187 CE1 TYR A 14 -3.617 -10.437 -1.366 1.00 0.00 C ATOM 188 CE2 TYR A 14 -2.219 -8.526 -1.227 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.393 -9.884 -1.091 1.00 0.00 C ATOM 190 OH TYR A 14 -1.346 -10.672 -0.679 1.00 0.00 O ATOM 0 H TYR A 14 -4.202 -7.404 -4.512 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.670 -8.611 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.936 -6.312 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.152 -7.173 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.604 -9.999 -2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.029 -6.682 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.782 -11.500 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.251 -8.095 -1.019 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.684 -11.554 -0.417 1.00 0.00 H new ATOM 200 N GLY A 15 -8.202 -6.763 -3.816 1.00 0.00 N ATOM 201 CA GLY A 15 -9.254 -6.246 -4.646 1.00 0.00 C ATOM 202 C GLY A 15 -9.661 -4.853 -4.299 1.00 0.00 C ATOM 203 O GLY A 15 -9.051 -4.225 -3.435 1.00 0.00 O ATOM 0 H GLY A 15 -8.516 -7.180 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.930 -6.272 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.123 -6.900 -4.566 1.00 0.00 H new ATOM 207 N PRO A 16 -10.699 -4.349 -4.977 1.00 0.00 N ATOM 208 CA PRO A 16 -11.088 -2.942 -4.926 1.00 0.00 C ATOM 209 C PRO A 16 -11.366 -2.491 -3.520 1.00 0.00 C ATOM 210 O PRO A 16 -12.441 -2.718 -2.961 1.00 0.00 O ATOM 211 CB PRO A 16 -12.370 -2.898 -5.740 1.00 0.00 C ATOM 212 CG PRO A 16 -12.877 -4.275 -5.610 1.00 0.00 C ATOM 213 CD PRO A 16 -11.656 -5.120 -5.777 1.00 0.00 C ATOM 0 HA PRO A 16 -10.302 -2.288 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.076 -2.167 -5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.182 -2.631 -6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.347 -4.438 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.626 -4.499 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.795 -6.132 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.351 -5.209 -6.820 1.00 0.00 H new ATOM 221 N ILE A 17 -10.385 -1.866 -2.957 1.00 0.00 N ATOM 222 CA ILE A 17 -10.524 -1.300 -1.662 1.00 0.00 C ATOM 223 C ILE A 17 -10.982 0.116 -1.772 1.00 0.00 C ATOM 224 O ILE A 17 -10.367 0.945 -2.441 1.00 0.00 O ATOM 225 CB ILE A 17 -9.239 -1.397 -0.850 1.00 0.00 C ATOM 226 CG1 ILE A 17 -9.136 -2.820 -0.322 1.00 0.00 C ATOM 227 CG2 ILE A 17 -9.228 -0.362 0.272 1.00 0.00 C ATOM 228 CD1 ILE A 17 -8.029 -3.017 0.679 1.00 0.00 C ATOM 0 H ILE A 17 -9.468 -1.735 -3.383 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.277 -1.877 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.370 -1.178 -1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.084 -3.096 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.980 -3.499 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.301 -0.450 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.299 0.638 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.076 -0.535 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.018 -4.056 1.010 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.073 -2.773 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.194 -2.365 1.537 1.00 0.00 H new ATOM 240 N GLU A 18 -12.083 0.371 -1.136 1.00 0.00 N ATOM 241 CA GLU A 18 -12.658 1.684 -1.180 1.00 0.00 C ATOM 242 C GLU A 18 -11.876 2.589 -0.244 1.00 0.00 C ATOM 243 O GLU A 18 -11.826 2.377 0.970 1.00 0.00 O ATOM 244 CB GLU A 18 -14.156 1.655 -0.843 1.00 0.00 C ATOM 245 CG GLU A 18 -14.478 1.650 0.638 1.00 0.00 C ATOM 246 CD GLU A 18 -15.967 1.595 0.909 1.00 0.00 C ATOM 247 OE1 GLU A 18 -16.617 2.656 0.946 1.00 0.00 O ATOM 248 OE2 GLU A 18 -16.500 0.476 1.079 1.00 0.00 O ATOM 0 H GLU A 18 -12.602 -0.309 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.588 2.080 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.633 2.522 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.599 0.770 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.995 0.794 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.061 2.545 1.100 1.00 0.00 H new ATOM 255 N VAL A 19 -11.193 3.549 -0.819 1.00 0.00 N ATOM 256 CA VAL A 19 -10.494 4.511 -0.016 1.00 0.00 C ATOM 257 C VAL A 19 -11.203 5.839 -0.037 1.00 0.00 C ATOM 258 O VAL A 19 -11.637 6.341 -1.073 1.00 0.00 O ATOM 259 CB VAL A 19 -9.018 4.694 -0.428 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.381 3.352 -0.665 1.00 0.00 C ATOM 261 CG2 VAL A 19 -8.834 5.600 -1.636 1.00 0.00 C ATOM 0 H VAL A 19 -11.109 3.681 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.492 4.112 0.999 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.519 5.196 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.339 3.490 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.428 2.761 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.914 2.832 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.773 5.684 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.362 5.178 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.236 6.589 -1.414 1.00 0.00 H new ATOM 271 N SER A 20 -11.386 6.343 1.143 1.00 0.00 N ATOM 272 CA SER A 20 -11.926 7.634 1.361 1.00 0.00 C ATOM 273 C SER A 20 -10.771 8.579 1.573 1.00 0.00 C ATOM 274 O SER A 20 -9.758 8.189 2.136 1.00 0.00 O ATOM 275 CB SER A 20 -12.805 7.567 2.595 1.00 0.00 C ATOM 276 OG SER A 20 -13.944 6.754 2.368 1.00 0.00 O ATOM 0 H SER A 20 -11.154 5.846 2.003 1.00 0.00 H new ATOM 0 HA SER A 20 -12.524 7.980 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.232 7.169 3.432 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.122 8.572 2.874 1.00 0.00 H new ATOM 0 HG SER A 20 -14.493 6.726 3.179 1.00 0.00 H new ATOM 282 N GLU A 21 -10.908 9.808 1.137 1.00 0.00 N ATOM 283 CA GLU A 21 -9.821 10.758 1.255 1.00 0.00 C ATOM 284 C GLU A 21 -9.665 11.153 2.712 1.00 0.00 C ATOM 285 O GLU A 21 -8.604 11.600 3.149 1.00 0.00 O ATOM 286 CB GLU A 21 -10.099 11.972 0.383 1.00 0.00 C ATOM 287 CG GLU A 21 -11.261 12.821 0.866 1.00 0.00 C ATOM 288 CD GLU A 21 -11.465 14.063 0.031 1.00 0.00 C ATOM 289 OE1 GLU A 21 -12.135 13.976 -1.019 1.00 0.00 O ATOM 290 OE2 GLU A 21 -10.966 15.136 0.432 1.00 0.00 O ATOM 0 H GLU A 21 -11.753 10.175 0.700 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.890 10.306 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.202 12.590 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.304 11.638 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.173 12.224 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.088 13.110 1.903 1.00 0.00 H new ATOM 297 N ASP A 22 -10.755 10.995 3.449 1.00 0.00 N ATOM 298 CA ASP A 22 -10.771 11.223 4.885 1.00 0.00 C ATOM 299 C ASP A 22 -10.317 9.995 5.666 1.00 0.00 C ATOM 300 O ASP A 22 -10.506 9.935 6.880 1.00 0.00 O ATOM 301 CB ASP A 22 -12.180 11.608 5.343 1.00 0.00 C ATOM 302 CG ASP A 22 -12.757 12.772 4.567 1.00 0.00 C ATOM 303 OD1 ASP A 22 -12.434 13.933 4.895 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.549 12.533 3.631 1.00 0.00 O ATOM 0 H ASP A 22 -11.655 10.704 3.066 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.072 12.035 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.839 10.746 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.155 11.862 6.403 1.00 0.00 H new ATOM 309 N MET A 23 -9.747 9.000 4.995 1.00 0.00 N ATOM 310 CA MET A 23 -9.222 7.863 5.675 1.00 0.00 C ATOM 311 C MET A 23 -7.829 8.195 6.146 1.00 0.00 C ATOM 312 O MET A 23 -7.241 9.208 5.762 1.00 0.00 O ATOM 313 CB MET A 23 -9.177 6.676 4.715 1.00 0.00 C ATOM 314 CG MET A 23 -9.387 5.341 5.370 1.00 0.00 C ATOM 315 SD MET A 23 -9.936 4.093 4.186 1.00 0.00 S ATOM 316 CE MET A 23 -10.039 2.642 5.227 1.00 0.00 C ATOM 0 H MET A 23 -9.646 8.975 3.980 1.00 0.00 H new ATOM 0 HA MET A 23 -9.851 7.604 6.527 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.939 6.815 3.948 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.212 6.671 4.208 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.458 5.015 5.837 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.126 5.438 6.165 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.384 1.794 4.636 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.055 2.420 5.640 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.741 2.827 6.040 1.00 0.00 H new ATOM 326 N ALA A 24 -7.319 7.357 6.981 1.00 0.00 N ATOM 327 CA ALA A 24 -5.939 7.427 7.370 1.00 0.00 C ATOM 328 C ALA A 24 -5.187 6.412 6.547 1.00 0.00 C ATOM 329 O ALA A 24 -5.624 5.269 6.421 1.00 0.00 O ATOM 330 CB ALA A 24 -5.787 7.147 8.858 1.00 0.00 C ATOM 0 H ALA A 24 -7.842 6.599 7.419 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.539 8.425 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.734 7.205 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.352 7.886 9.427 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.166 6.150 9.081 1.00 0.00 H new ATOM 336 N LEU A 25 -4.074 6.828 5.956 1.00 0.00 N ATOM 337 CA LEU A 25 -3.262 5.932 5.183 1.00 0.00 C ATOM 338 C LEU A 25 -2.826 4.785 6.068 1.00 0.00 C ATOM 339 O LEU A 25 -2.619 3.674 5.610 1.00 0.00 O ATOM 340 CB LEU A 25 -2.039 6.662 4.665 1.00 0.00 C ATOM 341 CG LEU A 25 -1.073 7.088 5.764 1.00 0.00 C ATOM 342 CD1 LEU A 25 0.292 7.348 5.200 1.00 0.00 C ATOM 343 CD2 LEU A 25 -1.575 8.307 6.518 1.00 0.00 C ATOM 0 H LEU A 25 -3.723 7.784 6.005 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.835 5.555 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.513 6.018 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.360 7.545 4.112 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.009 6.264 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.965 7.651 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.671 6.440 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.233 8.143 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.857 8.577 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.693 9.140 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.536 8.080 6.978 1.00 0.00 H new ATOM 355 N THR A 26 -2.664 5.094 7.344 1.00 0.00 N ATOM 356 CA THR A 26 -2.369 4.119 8.348 1.00 0.00 C ATOM 357 C THR A 26 -3.468 3.070 8.488 1.00 0.00 C ATOM 358 O THR A 26 -3.189 1.890 8.527 1.00 0.00 O ATOM 359 CB THR A 26 -2.181 4.817 9.683 1.00 0.00 C ATOM 360 OG1 THR A 26 -2.545 6.207 9.561 1.00 0.00 O ATOM 361 CG2 THR A 26 -0.744 4.703 10.143 1.00 0.00 C ATOM 0 H THR A 26 -2.737 6.046 7.703 1.00 0.00 H new ATOM 0 HA THR A 26 -1.458 3.604 8.043 1.00 0.00 H new ATOM 0 HB THR A 26 -2.823 4.337 10.422 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.788 6.713 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.628 5.209 11.101 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.480 3.651 10.253 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.088 5.167 9.406 1.00 0.00 H new ATOM 369 N ASP A 27 -4.712 3.528 8.602 1.00 0.00 N ATOM 370 CA ASP A 27 -5.873 2.643 8.651 1.00 0.00 C ATOM 371 C ASP A 27 -5.928 1.797 7.386 1.00 0.00 C ATOM 372 O ASP A 27 -6.463 0.689 7.371 1.00 0.00 O ATOM 373 CB ASP A 27 -7.160 3.462 8.808 1.00 0.00 C ATOM 374 CG ASP A 27 -8.383 2.606 9.085 1.00 0.00 C ATOM 375 OD1 ASP A 27 -8.490 2.053 10.202 1.00 0.00 O ATOM 376 OD2 ASP A 27 -9.254 2.491 8.203 1.00 0.00 O ATOM 0 H ASP A 27 -4.943 4.520 8.663 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.782 1.982 9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.032 4.176 9.622 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.328 4.041 7.900 1.00 0.00 H new ATOM 381 N LEU A 28 -5.324 2.322 6.336 1.00 0.00 N ATOM 382 CA LEU A 28 -5.223 1.637 5.077 1.00 0.00 C ATOM 383 C LEU A 28 -4.170 0.534 5.180 1.00 0.00 C ATOM 384 O LEU A 28 -4.443 -0.627 4.894 1.00 0.00 O ATOM 385 CB LEU A 28 -4.844 2.652 4.008 1.00 0.00 C ATOM 386 CG LEU A 28 -5.575 2.502 2.693 1.00 0.00 C ATOM 387 CD1 LEU A 28 -5.636 1.041 2.306 1.00 0.00 C ATOM 388 CD2 LEU A 28 -6.966 3.101 2.785 1.00 0.00 C ATOM 0 H LEU A 28 -4.888 3.244 6.341 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.174 1.175 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.030 3.653 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.773 2.577 3.821 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.031 3.044 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.164 0.937 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.624 0.649 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.164 0.482 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.477 2.984 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.532 2.590 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.890 4.161 3.028 1.00 0.00 H new ATOM 400 N ILE A 29 -2.969 0.925 5.597 1.00 0.00 N ATOM 401 CA ILE A 29 -1.909 0.019 5.985 1.00 0.00 C ATOM 402 C ILE A 29 -2.405 -1.028 6.982 1.00 0.00 C ATOM 403 O ILE A 29 -1.954 -2.166 6.974 1.00 0.00 O ATOM 404 CB ILE A 29 -0.784 0.829 6.661 1.00 0.00 C ATOM 405 CG1 ILE A 29 -0.249 1.944 5.753 1.00 0.00 C ATOM 406 CG2 ILE A 29 0.326 -0.075 7.095 1.00 0.00 C ATOM 407 CD1 ILE A 29 -0.122 1.555 4.303 1.00 0.00 C ATOM 0 H ILE A 29 -2.706 1.908 5.674 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.552 -0.489 5.089 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.214 1.308 7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.910 2.807 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.728 2.258 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.111 0.514 7.570 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.058 -0.807 7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.735 -0.591 6.227 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.263 2.400 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.564 0.713 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.100 1.271 3.916 1.00 0.00 H new ATOM 419 N ALA A 30 -3.326 -0.629 7.832 1.00 0.00 N ATOM 420 CA ALA A 30 -3.941 -1.520 8.791 1.00 0.00 C ATOM 421 C ALA A 30 -4.592 -2.702 8.076 1.00 0.00 C ATOM 422 O ALA A 30 -4.323 -3.854 8.396 1.00 0.00 O ATOM 423 CB ALA A 30 -4.954 -0.743 9.627 1.00 0.00 C ATOM 0 H ALA A 30 -3.671 0.330 7.877 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.180 -1.922 9.459 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.419 -1.413 10.351 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.447 0.065 10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.721 -0.326 8.974 1.00 0.00 H new ATOM 429 N LEU A 31 -5.404 -2.395 7.069 1.00 0.00 N ATOM 430 CA LEU A 31 -6.070 -3.412 6.246 1.00 0.00 C ATOM 431 C LEU A 31 -5.068 -4.097 5.364 1.00 0.00 C ATOM 432 O LEU A 31 -5.216 -5.251 4.995 1.00 0.00 O ATOM 433 CB LEU A 31 -7.130 -2.774 5.371 1.00 0.00 C ATOM 434 CG LEU A 31 -7.899 -1.716 6.103 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.542 -0.736 5.131 1.00 0.00 C ATOM 436 CD2 LEU A 31 -8.940 -2.345 7.019 1.00 0.00 C ATOM 0 H LEU A 31 -5.622 -1.436 6.797 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.536 -4.137 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.659 -2.336 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.817 -3.542 5.016 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.199 -1.155 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.094 0.021 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.767 -0.254 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.226 -1.272 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.487 -1.560 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.635 -2.939 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.444 -2.987 7.747 1.00 0.00 H new ATOM 448 N LEU A 32 -4.067 -3.350 5.001 1.00 0.00 N ATOM 449 CA LEU A 32 -3.036 -3.809 4.161 1.00 0.00 C ATOM 450 C LEU A 32 -2.243 -4.919 4.859 1.00 0.00 C ATOM 451 O LEU A 32 -1.915 -5.936 4.263 1.00 0.00 O ATOM 452 CB LEU A 32 -2.230 -2.570 3.876 1.00 0.00 C ATOM 453 CG LEU A 32 -1.179 -2.668 2.834 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.726 -3.167 1.526 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.554 -1.336 2.675 1.00 0.00 C ATOM 0 H LEU A 32 -3.956 -2.380 5.297 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.380 -4.266 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.920 -1.778 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.756 -2.255 4.805 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.432 -3.396 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.921 -3.223 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.158 -4.158 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.496 -2.483 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.223 -1.387 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.311 -0.612 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.112 -1.026 3.622 1.00 0.00 H new ATOM 467 N GLN A 33 -1.959 -4.742 6.136 1.00 0.00 N ATOM 468 CA GLN A 33 -1.293 -5.738 6.915 1.00 0.00 C ATOM 469 C GLN A 33 -2.250 -6.858 7.278 1.00 0.00 C ATOM 470 O GLN A 33 -1.931 -8.042 7.172 1.00 0.00 O ATOM 471 CB GLN A 33 -0.766 -5.045 8.145 1.00 0.00 C ATOM 472 CG GLN A 33 0.338 -4.072 7.801 1.00 0.00 C ATOM 473 CD GLN A 33 0.928 -3.342 8.990 1.00 0.00 C ATOM 474 OE1 GLN A 33 2.112 -3.015 8.996 1.00 0.00 O ATOM 475 NE2 GLN A 33 0.117 -3.056 9.992 1.00 0.00 N ATOM 0 H GLN A 33 -2.190 -3.894 6.654 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.476 -6.196 6.357 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.579 -4.515 8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.392 -5.787 8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.135 -4.613 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.050 -3.337 7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.861 -3.343 9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.469 -2.548 10.804 1.00 0.00 H new ATOM 484 N ALA A 34 -3.434 -6.442 7.674 1.00 0.00 N ATOM 485 CA ALA A 34 -4.500 -7.324 8.099 1.00 0.00 C ATOM 486 C ALA A 34 -4.906 -8.316 7.009 1.00 0.00 C ATOM 487 O ALA A 34 -5.001 -9.519 7.248 1.00 0.00 O ATOM 488 CB ALA A 34 -5.686 -6.461 8.477 1.00 0.00 C ATOM 0 H ALA A 34 -3.688 -5.455 7.710 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.151 -7.916 8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.509 -7.097 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.403 -5.789 9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.000 -5.875 7.613 1.00 0.00 H new ATOM 494 N ASP A 35 -5.142 -7.794 5.819 1.00 0.00 N ATOM 495 CA ASP A 35 -5.682 -8.577 4.714 1.00 0.00 C ATOM 496 C ASP A 35 -4.605 -8.925 3.694 1.00 0.00 C ATOM 497 O ASP A 35 -4.480 -10.077 3.284 1.00 0.00 O ATOM 498 CB ASP A 35 -6.796 -7.786 4.025 1.00 0.00 C ATOM 499 CG ASP A 35 -7.502 -8.572 2.937 1.00 0.00 C ATOM 500 OD1 ASP A 35 -8.495 -9.254 3.253 1.00 0.00 O ATOM 501 OD2 ASP A 35 -7.081 -8.496 1.764 1.00 0.00 O ATOM 0 H ASP A 35 -4.966 -6.816 5.588 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.076 -9.508 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.527 -7.474 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.375 -6.878 3.593 1.00 0.00 H new ATOM 506 N CYS A 36 -3.803 -7.936 3.311 1.00 0.00 N ATOM 507 CA CYS A 36 -2.842 -8.121 2.230 1.00 0.00 C ATOM 508 C CYS A 36 -1.615 -8.887 2.701 1.00 0.00 C ATOM 509 O CYS A 36 -0.949 -9.557 1.912 1.00 0.00 O ATOM 510 CB CYS A 36 -2.425 -6.763 1.654 1.00 0.00 C ATOM 511 SG CYS A 36 -0.779 -6.740 0.903 1.00 0.00 S ATOM 0 H CYS A 36 -3.799 -7.006 3.729 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.326 -8.709 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.157 -6.460 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.458 -6.019 2.450 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.301 -7.948 0.869 1.00 0.00 H new ATOM 517 N GLY A 37 -1.314 -8.796 3.981 1.00 0.00 N ATOM 518 CA GLY A 37 -0.140 -9.462 4.494 1.00 0.00 C ATOM 519 C GLY A 37 1.026 -8.507 4.591 1.00 0.00 C ATOM 520 O GLY A 37 2.167 -8.921 4.789 1.00 0.00 O ATOM 0 H GLY A 37 -1.856 -8.277 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.355 -9.880 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.122 -10.297 3.844 1.00 0.00 H new ATOM 524 N PHE A 38 0.731 -7.222 4.412 1.00 0.00 N ATOM 525 CA PHE A 38 1.686 -6.164 4.578 1.00 0.00 C ATOM 526 C PHE A 38 2.439 -6.286 5.893 1.00 0.00 C ATOM 527 O PHE A 38 1.880 -6.626 6.932 1.00 0.00 O ATOM 528 CB PHE A 38 0.942 -4.849 4.524 1.00 0.00 C ATOM 529 CG PHE A 38 1.802 -3.663 4.327 1.00 0.00 C ATOM 530 CD1 PHE A 38 2.971 -3.843 3.735 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.480 -2.413 4.786 1.00 0.00 C ATOM 532 CE1 PHE A 38 3.846 -2.872 3.541 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.364 -1.378 4.582 1.00 0.00 C ATOM 534 CZ PHE A 38 3.562 -1.643 3.944 1.00 0.00 C ATOM 0 H PHE A 38 -0.197 -6.896 4.143 1.00 0.00 H new ATOM 0 HA PHE A 38 2.426 -6.222 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.214 -4.892 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.382 -4.725 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.224 -4.836 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.546 -2.242 5.301 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.788 -3.080 3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.127 -0.378 4.914 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.269 -0.844 3.774 1.00 0.00 H new ATOM 544 N ASP A 39 3.713 -5.999 5.813 1.00 0.00 N ATOM 545 CA ASP A 39 4.602 -6.114 6.925 1.00 0.00 C ATOM 546 C ASP A 39 5.716 -5.135 6.699 1.00 0.00 C ATOM 547 O ASP A 39 6.733 -5.474 6.141 1.00 0.00 O ATOM 548 CB ASP A 39 5.172 -7.516 7.033 1.00 0.00 C ATOM 549 CG ASP A 39 5.883 -7.756 8.346 1.00 0.00 C ATOM 550 OD1 ASP A 39 5.209 -8.106 9.333 1.00 0.00 O ATOM 551 OD2 ASP A 39 7.120 -7.604 8.395 1.00 0.00 O ATOM 0 H ASP A 39 4.162 -5.674 4.957 1.00 0.00 H new ATOM 0 HA ASP A 39 4.066 -5.908 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.366 -8.241 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.868 -7.686 6.211 1.00 0.00 H new ATOM 556 N LYS A 40 5.510 -3.927 7.121 1.00 0.00 N ATOM 557 CA LYS A 40 6.445 -2.849 6.902 1.00 0.00 C ATOM 558 C LYS A 40 7.828 -3.186 7.462 1.00 0.00 C ATOM 559 O LYS A 40 8.845 -2.657 7.009 1.00 0.00 O ATOM 560 CB LYS A 40 5.921 -1.641 7.643 1.00 0.00 C ATOM 561 CG LYS A 40 4.421 -1.511 7.535 1.00 0.00 C ATOM 562 CD LYS A 40 4.074 -0.292 6.801 1.00 0.00 C ATOM 563 CE LYS A 40 4.550 0.974 7.496 1.00 0.00 C ATOM 564 NZ LYS A 40 4.087 1.058 8.908 1.00 0.00 N ATOM 0 H LYS A 40 4.675 -3.649 7.637 1.00 0.00 H new ATOM 0 HA LYS A 40 6.541 -2.671 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.203 -1.711 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.391 -0.741 7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.008 -2.382 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.978 -1.484 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.510 -0.338 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.992 -0.246 6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.639 1.010 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.190 1.844 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.275 2.011 9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.066 0.865 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.596 0.357 9.483 1.00 0.00 H new ATOM 578 N THR A 41 7.843 -4.089 8.435 1.00 0.00 N ATOM 579 CA THR A 41 9.043 -4.425 9.181 1.00 0.00 C ATOM 580 C THR A 41 9.937 -5.327 8.357 1.00 0.00 C ATOM 581 O THR A 41 11.138 -5.444 8.608 1.00 0.00 O ATOM 582 CB THR A 41 8.697 -5.086 10.525 1.00 0.00 C ATOM 583 OG1 THR A 41 7.633 -6.031 10.360 1.00 0.00 O ATOM 584 CG2 THR A 41 8.286 -4.037 11.540 1.00 0.00 C ATOM 0 H THR A 41 7.017 -4.610 8.728 1.00 0.00 H new ATOM 0 HA THR A 41 9.579 -3.500 9.395 1.00 0.00 H new ATOM 0 HB THR A 41 9.585 -5.606 10.885 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.859 -6.656 9.640 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.044 -4.521 12.486 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.106 -3.335 11.691 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.411 -3.499 11.174 1.00 0.00 H new ATOM 592 N LYS A 42 9.339 -5.937 7.354 1.00 0.00 N ATOM 593 CA LYS A 42 10.071 -6.488 6.273 1.00 0.00 C ATOM 594 C LYS A 42 9.066 -6.554 5.172 1.00 0.00 C ATOM 595 O LYS A 42 8.324 -7.486 4.958 1.00 0.00 O ATOM 596 CB LYS A 42 10.592 -7.865 6.672 1.00 0.00 C ATOM 597 CG LYS A 42 9.454 -8.829 6.732 1.00 0.00 C ATOM 598 CD LYS A 42 9.690 -10.095 7.507 1.00 0.00 C ATOM 599 CE LYS A 42 8.340 -10.696 7.854 1.00 0.00 C ATOM 600 NZ LYS A 42 7.807 -10.170 9.141 1.00 0.00 N ATOM 0 H LYS A 42 8.329 -6.056 7.282 1.00 0.00 H new ATOM 0 HA LYS A 42 10.947 -5.912 5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.335 -8.207 5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.088 -7.811 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.596 -8.317 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.181 -9.099 5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.279 -10.798 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.258 -9.886 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.632 -10.481 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.432 -11.780 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.855 -10.555 9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.435 -10.455 9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.758 -9.132 9.098 1.00 0.00 H new ATOM 614 N HIS A 43 9.056 -5.476 4.523 1.00 0.00 N ATOM 615 CA HIS A 43 8.483 -5.284 3.262 1.00 0.00 C ATOM 616 C HIS A 43 8.923 -3.964 2.748 1.00 0.00 C ATOM 617 O HIS A 43 9.514 -3.155 3.458 1.00 0.00 O ATOM 618 CB HIS A 43 6.981 -5.253 3.311 1.00 0.00 C ATOM 619 CG HIS A 43 6.405 -6.588 3.256 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.213 -6.921 3.796 1.00 0.00 N ATOM 621 CD2 HIS A 43 6.947 -7.699 2.784 1.00 0.00 C ATOM 622 CE1 HIS A 43 5.030 -8.201 3.683 1.00 0.00 C ATOM 623 NE2 HIS A 43 6.063 -8.715 3.054 1.00 0.00 N ATOM 0 H HIS A 43 9.485 -4.626 4.888 1.00 0.00 H new ATOM 0 HA HIS A 43 8.798 -6.115 2.630 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.659 -4.757 4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.603 -4.661 2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.900 -7.789 2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.174 -8.751 4.045 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.187 -9.697 2.809 1.00 0.00 H new ATOM 632 N ASP A 44 8.584 -3.764 1.537 1.00 0.00 N ATOM 633 CA ASP A 44 8.502 -2.462 0.998 1.00 0.00 C ATOM 634 C ASP A 44 7.239 -2.393 0.225 1.00 0.00 C ATOM 635 O ASP A 44 7.006 -3.178 -0.654 1.00 0.00 O ATOM 636 CB ASP A 44 9.637 -2.098 0.043 1.00 0.00 C ATOM 637 CG ASP A 44 11.025 -2.476 0.531 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.487 -1.899 1.536 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.675 -3.332 -0.107 1.00 0.00 O ATOM 0 H ASP A 44 8.352 -4.508 0.880 1.00 0.00 H new ATOM 0 HA ASP A 44 8.558 -1.765 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.458 -2.587 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.611 -1.023 -0.138 1.00 0.00 H new ATOM 644 N LEU A 45 6.463 -1.425 0.490 1.00 0.00 N ATOM 645 CA LEU A 45 5.305 -1.229 -0.188 1.00 0.00 C ATOM 646 C LEU A 45 5.538 -0.200 -1.292 1.00 0.00 C ATOM 647 O LEU A 45 6.191 0.817 -1.069 1.00 0.00 O ATOM 648 CB LEU A 45 4.368 -0.791 0.866 1.00 0.00 C ATOM 649 CG LEU A 45 3.142 -0.257 0.331 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.559 -1.210 -0.664 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.170 -0.085 1.394 1.00 0.00 C ATOM 0 H LEU A 45 6.645 -0.734 1.218 1.00 0.00 H new ATOM 0 HA LEU A 45 4.911 -2.103 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.139 -1.635 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.850 -0.034 1.484 1.00 0.00 H new ATOM 0 HG LEU A 45 3.366 0.699 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.632 -0.798 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.267 -1.365 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.352 -2.163 -0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.246 0.319 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.967 -1.049 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.565 0.604 2.140 1.00 0.00 H new ATOM 663 N TYR A 46 5.078 -0.503 -2.498 1.00 0.00 N ATOM 664 CA TYR A 46 5.311 0.369 -3.622 1.00 0.00 C ATOM 665 C TYR A 46 4.083 1.056 -4.062 1.00 0.00 C ATOM 666 O TYR A 46 3.065 0.492 -4.425 1.00 0.00 O ATOM 667 CB TYR A 46 5.925 -0.331 -4.813 1.00 0.00 C ATOM 668 CG TYR A 46 7.333 -0.496 -4.659 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.628 -1.093 -3.555 1.00 0.00 C ATOM 670 CD2 TYR A 46 8.321 -0.090 -5.530 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.847 -1.342 -3.179 1.00 0.00 C ATOM 672 CE2 TYR A 46 9.635 -0.326 -5.200 1.00 0.00 C ATOM 673 CZ TYR A 46 9.903 -0.958 -4.000 1.00 0.00 C ATOM 674 OH TYR A 46 11.197 -1.187 -3.626 1.00 0.00 O ATOM 0 H TYR A 46 4.544 -1.345 -2.715 1.00 0.00 H new ATOM 0 HA TYR A 46 6.027 1.101 -3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.456 -1.306 -4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.723 0.243 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.820 -1.402 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.068 0.405 -6.456 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.038 -1.841 -2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.435 -0.026 -5.860 1.00 0.00 H new ATOM 0 HH TYR A 46 11.802 -0.854 -4.321 1.00 0.00 H new ATOM 684 N TYR A 47 4.269 2.281 -4.045 1.00 0.00 N ATOM 685 CA TYR A 47 3.330 3.236 -4.437 1.00 0.00 C ATOM 686 C TYR A 47 3.725 3.866 -5.757 1.00 0.00 C ATOM 687 O TYR A 47 4.784 4.478 -5.879 1.00 0.00 O ATOM 688 CB TYR A 47 3.240 4.247 -3.339 1.00 0.00 C ATOM 689 CG TYR A 47 2.355 5.294 -3.702 1.00 0.00 C ATOM 690 CD1 TYR A 47 1.171 4.855 -4.058 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.630 6.647 -3.658 1.00 0.00 C ATOM 692 CE1 TYR A 47 0.219 5.662 -4.386 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.641 7.537 -4.013 1.00 0.00 C ATOM 694 CZ TYR A 47 0.412 7.028 -4.383 1.00 0.00 C ATOM 695 OH TYR A 47 -0.610 7.867 -4.744 1.00 0.00 O ATOM 0 H TYR A 47 5.148 2.694 -3.734 1.00 0.00 H new ATOM 0 HA TYR A 47 2.353 2.780 -4.598 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.892 3.769 -2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.229 4.655 -3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.988 3.791 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.603 7.000 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.744 5.262 -4.667 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.821 8.602 -4.002 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.311 7.353 -5.197 1.00 0.00 H new ATOM 878 N SER A 59 -0.098 10.648 3.961 1.00 0.00 N ATOM 879 CA SER A 59 -1.357 9.974 3.893 1.00 0.00 C ATOM 880 C SER A 59 -1.839 9.705 2.486 1.00 0.00 C ATOM 881 O SER A 59 -1.181 10.040 1.519 1.00 0.00 O ATOM 882 CB SER A 59 -2.368 10.835 4.597 1.00 0.00 C ATOM 883 OG SER A 59 -1.808 11.486 5.725 1.00 0.00 O ATOM 0 HA SER A 59 -1.232 8.997 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.758 11.580 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.212 10.221 4.913 1.00 0.00 H new ATOM 0 HG SER A 59 -0.870 11.706 5.544 1.00 0.00 H new ATOM 889 N LEU A 60 -3.024 9.116 2.405 1.00 0.00 N ATOM 890 CA LEU A 60 -3.691 8.863 1.119 1.00 0.00 C ATOM 891 C LEU A 60 -3.639 10.089 0.215 1.00 0.00 C ATOM 892 O LEU A 60 -3.109 10.048 -0.894 1.00 0.00 O ATOM 893 CB LEU A 60 -5.179 8.606 1.321 1.00 0.00 C ATOM 894 CG LEU A 60 -5.588 7.694 2.459 1.00 0.00 C ATOM 895 CD1 LEU A 60 -6.970 8.064 2.907 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.557 6.259 2.029 1.00 0.00 C ATOM 0 H LEU A 60 -3.553 8.799 3.217 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.174 8.009 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.668 9.569 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.575 8.187 0.396 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.885 7.815 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.273 7.413 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.978 9.100 3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.665 7.949 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.854 5.623 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.247 6.113 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.547 5.995 1.714 1.00 0.00 H new ATOM 908 N LYS A 61 -4.173 11.192 0.727 1.00 0.00 N ATOM 909 CA LYS A 61 -4.216 12.431 -0.031 1.00 0.00 C ATOM 910 C LYS A 61 -2.838 13.037 -0.221 1.00 0.00 C ATOM 911 O LYS A 61 -2.607 13.764 -1.184 1.00 0.00 O ATOM 912 CB LYS A 61 -5.230 13.443 0.499 1.00 0.00 C ATOM 913 CG LYS A 61 -4.756 14.111 1.720 1.00 0.00 C ATOM 914 CD LYS A 61 -4.483 13.060 2.737 1.00 0.00 C ATOM 915 CE LYS A 61 -4.383 13.594 4.165 1.00 0.00 C ATOM 916 NZ LYS A 61 -3.364 14.664 4.330 1.00 0.00 N ATOM 0 H LYS A 61 -4.580 11.251 1.660 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.580 12.153 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.431 14.191 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.173 12.937 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.854 14.687 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.505 14.812 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.274 12.312 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.552 12.554 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.356 13.980 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.144 12.769 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.558 14.295 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.036 14.979 3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.784 15.468 4.838 1.00 0.00 H new ATOM 930 N GLU A 62 -1.915 12.728 0.676 1.00 0.00 N ATOM 931 CA GLU A 62 -0.560 13.241 0.537 1.00 0.00 C ATOM 932 C GLU A 62 0.208 12.441 -0.509 1.00 0.00 C ATOM 933 O GLU A 62 0.958 12.996 -1.308 1.00 0.00 O ATOM 934 CB GLU A 62 0.150 13.216 1.870 1.00 0.00 C ATOM 935 CG GLU A 62 -0.623 13.942 2.946 1.00 0.00 C ATOM 936 CD GLU A 62 0.136 14.061 4.246 1.00 0.00 C ATOM 937 OE1 GLU A 62 0.063 13.119 5.053 1.00 0.00 O ATOM 938 OE2 GLU A 62 0.787 15.101 4.467 1.00 0.00 O ATOM 0 H GLU A 62 -2.073 12.137 1.492 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.610 14.276 0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.309 12.182 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.135 13.671 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.879 14.940 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.561 13.417 3.127 1.00 0.00 H new ATOM 945 N LEU A 63 0.005 11.132 -0.495 1.00 0.00 N ATOM 946 CA LEU A 63 0.573 10.260 -1.523 1.00 0.00 C ATOM 947 C LEU A 63 0.050 10.628 -2.898 1.00 0.00 C ATOM 948 O LEU A 63 0.805 10.705 -3.868 1.00 0.00 O ATOM 949 CB LEU A 63 0.230 8.786 -1.283 1.00 0.00 C ATOM 950 CG LEU A 63 0.809 8.169 -0.019 1.00 0.00 C ATOM 951 CD1 LEU A 63 0.347 6.727 0.118 1.00 0.00 C ATOM 952 CD2 LEU A 63 2.326 8.247 -0.041 1.00 0.00 C ATOM 0 H LEU A 63 -0.547 10.647 0.213 1.00 0.00 H new ATOM 0 HA LEU A 63 1.653 10.399 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.855 8.686 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.577 8.208 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 63 0.450 8.730 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.767 6.295 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.741 6.697 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.683 6.154 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.726 7.802 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.706 7.705 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.636 9.290 -0.101 1.00 0.00 H new ATOM 964 N GLY A 64 -1.249 10.858 -2.967 1.00 0.00 N ATOM 965 CA GLY A 64 -1.906 11.011 -4.240 1.00 0.00 C ATOM 966 C GLY A 64 -2.787 9.814 -4.531 1.00 0.00 C ATOM 967 O GLY A 64 -2.962 9.430 -5.682 1.00 0.00 O ATOM 0 H GLY A 64 -1.863 10.942 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.507 11.920 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.162 11.122 -5.029 1.00 0.00 H new ATOM 971 N LEU A 65 -3.334 9.216 -3.474 1.00 0.00 N ATOM 972 CA LEU A 65 -4.161 8.016 -3.602 1.00 0.00 C ATOM 973 C LEU A 65 -5.577 8.391 -4.032 1.00 0.00 C ATOM 974 O LEU A 65 -5.972 9.555 -3.945 1.00 0.00 O ATOM 975 CB LEU A 65 -4.190 7.235 -2.283 1.00 0.00 C ATOM 976 CG LEU A 65 -2.933 6.439 -1.943 1.00 0.00 C ATOM 977 CD1 LEU A 65 -3.050 5.823 -0.560 1.00 0.00 C ATOM 978 CD2 LEU A 65 -2.668 5.358 -2.972 1.00 0.00 C ATOM 0 H LEU A 65 -3.219 9.544 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.723 7.376 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.380 7.939 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.034 6.546 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.091 7.132 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.145 5.259 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.179 6.613 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.910 5.154 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.766 4.810 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.514 4.671 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.533 5.814 -3.953 1.00 0.00 H new ATOM 990 N LYS A 66 -6.330 7.399 -4.483 1.00 0.00 N ATOM 991 CA LYS A 66 -7.625 7.691 -5.111 1.00 0.00 C ATOM 992 C LYS A 66 -8.498 6.486 -5.420 1.00 0.00 C ATOM 993 O LYS A 66 -8.426 5.455 -4.789 1.00 0.00 O ATOM 994 CB LYS A 66 -7.440 8.506 -6.408 1.00 0.00 C ATOM 995 CG LYS A 66 -6.715 7.763 -7.522 1.00 0.00 C ATOM 996 CD LYS A 66 -5.223 7.985 -7.463 1.00 0.00 C ATOM 997 CE LYS A 66 -4.819 9.229 -8.243 1.00 0.00 C ATOM 998 NZ LYS A 66 -3.343 9.393 -8.309 1.00 0.00 N ATOM 0 H LYS A 66 -6.084 6.410 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.153 8.264 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.420 8.814 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.886 9.416 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.927 6.697 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.094 8.096 -8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.909 8.086 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.707 7.115 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.222 9.169 -9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.261 10.109 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.114 10.365 -8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.931 9.206 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.950 8.723 -9.000 1.00 0.00 H new ATOM 1012 N THR A 67 -9.392 6.701 -6.367 1.00 0.00 N ATOM 1013 CA THR A 67 -10.282 5.673 -6.877 1.00 0.00 C ATOM 1014 C THR A 67 -9.529 4.698 -7.796 1.00 0.00 C ATOM 1015 O THR A 67 -10.055 3.654 -8.175 1.00 0.00 O ATOM 1016 CB THR A 67 -11.482 6.309 -7.612 1.00 0.00 C ATOM 1017 OG1 THR A 67 -12.065 7.317 -6.771 1.00 0.00 O ATOM 1018 CG2 THR A 67 -12.547 5.275 -7.956 1.00 0.00 C ATOM 0 H THR A 67 -9.523 7.610 -6.811 1.00 0.00 H new ATOM 0 HA THR A 67 -10.664 5.104 -6.029 1.00 0.00 H new ATOM 0 HB THR A 67 -11.117 6.742 -8.543 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.827 7.727 -7.232 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.374 5.762 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 67 -12.116 4.510 -8.602 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.914 4.812 -7.040 1.00 0.00 H new ATOM 1026 N ASP A 68 -8.291 5.047 -8.143 1.00 0.00 N ATOM 1027 CA ASP A 68 -7.588 4.411 -9.253 1.00 0.00 C ATOM 1028 C ASP A 68 -6.190 4.071 -8.780 1.00 0.00 C ATOM 1029 O ASP A 68 -5.266 3.811 -9.556 1.00 0.00 O ATOM 1030 CB ASP A 68 -7.559 5.376 -10.451 1.00 0.00 C ATOM 1031 CG ASP A 68 -6.817 4.841 -11.662 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -7.361 3.971 -12.368 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -5.687 5.308 -11.924 1.00 0.00 O ATOM 0 H ASP A 68 -7.753 5.771 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.089 3.498 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.584 5.609 -10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.095 6.312 -10.139 1.00 0.00 H new ATOM 1038 N ASP A 69 -6.056 4.074 -7.476 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.777 3.961 -6.837 1.00 0.00 C ATOM 1040 C ASP A 69 -4.438 2.514 -6.490 1.00 0.00 C ATOM 1041 O ASP A 69 -5.159 1.590 -6.856 1.00 0.00 O ATOM 1042 CB ASP A 69 -4.758 4.830 -5.605 1.00 0.00 C ATOM 1043 CG ASP A 69 -5.762 4.389 -4.570 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -6.659 3.612 -4.917 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -5.663 4.846 -3.420 1.00 0.00 O ATOM 0 H ASP A 69 -6.840 4.156 -6.828 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.012 4.302 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.760 4.813 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.964 5.862 -5.889 1.00 0.00 H new ATOM 1050 N LEU A 70 -3.305 2.339 -5.823 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.678 1.036 -5.648 1.00 0.00 C ATOM 1052 C LEU A 70 -1.548 1.100 -4.633 1.00 0.00 C ATOM 1053 O LEU A 70 -1.055 2.190 -4.333 1.00 0.00 O ATOM 1054 CB LEU A 70 -2.148 0.507 -6.968 1.00 0.00 C ATOM 1055 CG LEU A 70 -0.971 1.224 -7.576 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -1.152 2.701 -7.421 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.372 0.755 -7.026 1.00 0.00 C ATOM 0 H LEU A 70 -2.791 3.104 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.444 0.356 -5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.870 -0.537 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.964 0.524 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.944 0.975 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.300 3.220 -7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.066 3.011 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.221 2.950 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.176 1.312 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.404 0.926 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.496 -0.309 -7.228 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.142 -0.044 -4.102 1.00 0.00 N ATOM 1070 CA LEU A 71 0.222 -0.159 -3.602 1.00 0.00 C ATOM 1071 C LEU A 71 0.712 -1.611 -3.649 1.00 0.00 C ATOM 1072 O LEU A 71 -0.086 -2.540 -3.782 1.00 0.00 O ATOM 1073 CB LEU A 71 0.459 0.560 -2.241 1.00 0.00 C ATOM 1074 CG LEU A 71 -0.301 0.082 -0.995 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -1.372 1.066 -0.583 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -0.868 -1.283 -1.218 1.00 0.00 C ATOM 0 H LEU A 71 -1.716 -0.882 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 71 0.859 0.399 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.524 0.497 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.224 1.615 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 71 0.410 0.023 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.888 0.693 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.914 2.029 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.088 1.186 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.403 -1.605 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.556 -1.258 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.059 -1.983 -1.429 1.00 0.00 H new ATOM 1088 N LEU A 72 2.020 -1.797 -3.603 1.00 0.00 N ATOM 1089 CA LEU A 72 2.591 -3.152 -3.786 1.00 0.00 C ATOM 1090 C LEU A 72 3.443 -3.664 -2.656 1.00 0.00 C ATOM 1091 O LEU A 72 4.228 -2.960 -2.072 1.00 0.00 O ATOM 1092 CB LEU A 72 3.426 -3.235 -5.031 1.00 0.00 C ATOM 1093 CG LEU A 72 2.624 -3.093 -6.294 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.934 -1.785 -7.005 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.867 -4.285 -7.191 1.00 0.00 C ATOM 0 H LEU A 72 2.705 -1.058 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 72 1.701 -3.779 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.187 -2.455 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.949 -4.191 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 72 1.566 -3.066 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.337 -1.715 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.695 -0.948 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.993 -1.753 -7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.283 -4.177 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.926 -4.342 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.567 -5.196 -6.674 1.00 0.00 H new ATOM 1107 N ILE A 73 3.364 -4.944 -2.442 1.00 0.00 N ATOM 1108 CA ILE A 73 4.106 -5.538 -1.299 1.00 0.00 C ATOM 1109 C ILE A 73 5.398 -6.223 -1.668 1.00 0.00 C ATOM 1110 O ILE A 73 5.429 -7.317 -2.201 1.00 0.00 O ATOM 1111 CB ILE A 73 3.272 -6.454 -0.397 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.354 -5.582 0.398 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.129 -7.257 0.565 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.005 -4.296 0.823 1.00 0.00 C ATOM 0 H ILE A 73 2.822 -5.601 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 73 4.360 -4.650 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 73 2.733 -7.164 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.467 -5.358 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.018 -6.124 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.490 -7.889 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.822 -7.881 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.692 -6.577 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.295 -3.701 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.876 -4.516 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.317 -3.737 -0.059 1.00 0.00 H new ATOM 1126 N ARG A 74 6.461 -5.585 -1.263 1.00 0.00 N ATOM 1127 CA ARG A 74 7.809 -6.029 -1.567 1.00 0.00 C ATOM 1128 C ARG A 74 8.553 -6.148 -0.239 1.00 0.00 C ATOM 1129 O ARG A 74 7.904 -6.198 0.766 1.00 0.00 O ATOM 1130 CB ARG A 74 8.430 -4.996 -2.537 1.00 0.00 C ATOM 1131 CG ARG A 74 9.833 -4.597 -2.261 1.00 0.00 C ATOM 1132 CD ARG A 74 10.483 -3.998 -3.464 1.00 0.00 C ATOM 1133 NE ARG A 74 11.750 -4.642 -3.722 1.00 0.00 N ATOM 1134 CZ ARG A 74 12.942 -4.108 -3.423 1.00 0.00 C ATOM 1135 NH1 ARG A 74 13.019 -2.887 -2.920 1.00 0.00 N ATOM 1136 NH2 ARG A 74 14.056 -4.794 -3.629 1.00 0.00 N ATOM 0 H ARG A 74 6.424 -4.731 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 74 7.853 -7.001 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.382 -5.403 -3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.810 -4.099 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.853 -3.879 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.402 -5.468 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.830 -4.105 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.635 -2.930 -3.310 1.00 0.00 H new ATOM 0 HE ARG A 74 11.736 -5.563 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.169 -2.348 -2.758 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.929 -2.485 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.010 -5.736 -4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.960 -4.380 -3.399 1.00 0.00 H new