USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 817 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: B 1 VAL N :NH3+ -178:sc= 0 (180deg=-0.00292) USER MOD Set 1.2: B 3 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -62:sc= 0.36 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.1) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 150:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.884) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 156:sc= 0.0939 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.764 -30.561 4.811 1.00 0.00 N ATOM 2 CA GLY A 1 -5.288 -30.618 4.591 1.00 0.00 C ATOM 3 C GLY A 1 -4.647 -29.237 4.489 1.00 0.00 C ATOM 4 O GLY A 1 -4.397 -28.590 5.543 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.143 -31.527 4.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.964 -30.054 5.697 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.214 -30.062 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.825 -31.168 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.084 -31.176 3.677 1.00 0.00 H new ATOM 10 N ALA A 2 -4.371 -28.791 3.165 1.00 0.00 N ATOM 11 CA ALA A 2 -3.728 -27.454 2.767 1.00 0.00 C ATOM 12 C ALA A 2 -4.730 -26.472 2.028 1.00 0.00 C ATOM 13 O ALA A 2 -5.517 -26.905 1.110 1.00 0.00 O ATOM 14 CB ALA A 2 -2.429 -27.685 1.911 1.00 0.00 C ATOM 0 H ALA A 2 -4.596 -29.365 2.353 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.450 -26.961 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.994 -26.722 1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.708 -28.260 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.684 -28.233 1.004 1.00 0.00 H new ATOM 20 N MET A 3 -4.702 -25.125 2.500 1.00 0.00 N ATOM 21 CA MET A 3 -5.505 -23.945 1.929 1.00 0.00 C ATOM 22 C MET A 3 -4.620 -22.853 1.217 1.00 0.00 C ATOM 23 O MET A 3 -3.458 -22.562 1.652 1.00 0.00 O ATOM 24 CB MET A 3 -6.529 -23.292 2.983 1.00 0.00 C ATOM 25 CG MET A 3 -7.910 -23.983 3.135 1.00 0.00 C ATOM 26 SD MET A 3 -8.980 -23.916 1.652 1.00 0.00 S ATOM 27 CE MET A 3 -10.425 -24.799 2.235 1.00 0.00 C ATOM 0 H MET A 3 -4.116 -24.847 3.287 1.00 0.00 H new ATOM 0 HA MET A 3 -6.114 -24.397 1.146 1.00 0.00 H new ATOM 0 HB2 MET A 3 -6.047 -23.277 3.961 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.698 -22.254 2.695 1.00 0.00 H new ATOM 0 HG2 MET A 3 -7.749 -25.028 3.400 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.440 -23.521 3.968 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.170 -24.842 1.441 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.141 -25.812 2.522 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.844 -24.281 3.098 1.00 0.00 H new ATOM 37 N GLU A 4 -5.242 -22.257 0.092 1.00 0.00 N ATOM 38 CA GLU A 4 -4.628 -21.204 -0.851 1.00 0.00 C ATOM 39 C GLU A 4 -5.216 -19.721 -0.638 1.00 0.00 C ATOM 40 O GLU A 4 -6.246 -19.531 0.068 1.00 0.00 O ATOM 41 CB GLU A 4 -4.683 -21.662 -2.423 1.00 0.00 C ATOM 42 CG GLU A 4 -3.838 -22.939 -2.894 1.00 0.00 C ATOM 43 CD GLU A 4 -2.283 -22.764 -2.995 1.00 0.00 C ATOM 44 OE1 GLU A 4 -1.790 -22.379 -4.085 1.00 0.00 O ATOM 45 OE2 GLU A 4 -1.582 -23.036 -1.987 1.00 0.00 O ATOM 0 H GLU A 4 -6.194 -22.504 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.577 -21.149 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.727 -21.848 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.357 -20.813 -3.024 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.043 -23.755 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.208 -23.249 -3.871 1.00 0.00 H new ATOM 52 N MET A 5 -4.470 -18.692 -1.254 1.00 0.00 N ATOM 53 CA MET A 5 -4.719 -17.177 -1.236 1.00 0.00 C ATOM 54 C MET A 5 -5.232 -16.570 -2.653 1.00 0.00 C ATOM 55 O MET A 5 -5.005 -17.183 -3.739 1.00 0.00 O ATOM 56 CB MET A 5 -3.455 -16.364 -0.554 1.00 0.00 C ATOM 57 CG MET A 5 -2.014 -16.629 -1.100 1.00 0.00 C ATOM 58 SD MET A 5 -0.724 -15.904 -0.065 1.00 0.00 S ATOM 59 CE MET A 5 0.749 -16.550 -0.852 1.00 0.00 C ATOM 0 H MET A 5 -3.640 -18.918 -1.801 1.00 0.00 H new ATOM 0 HA MET A 5 -5.573 -17.009 -0.580 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.656 -15.297 -0.653 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.452 -16.591 0.512 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.851 -17.704 -1.174 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.933 -16.224 -2.109 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.632 -16.189 -0.324 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.729 -17.639 -0.823 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.784 -16.215 -1.889 1.00 0.00 H new ATOM 69 N GLU A 6 -5.907 -15.330 -2.556 1.00 0.00 N ATOM 70 CA GLU A 6 -6.574 -14.514 -3.703 1.00 0.00 C ATOM 71 C GLU A 6 -6.068 -13.021 -3.725 1.00 0.00 C ATOM 72 O GLU A 6 -6.153 -12.276 -2.690 1.00 0.00 O ATOM 73 CB GLU A 6 -8.194 -14.568 -3.716 1.00 0.00 C ATOM 74 CG GLU A 6 -8.857 -15.926 -4.125 1.00 0.00 C ATOM 75 CD GLU A 6 -10.403 -15.885 -4.215 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.081 -16.142 -3.182 1.00 0.00 O ATOM 77 OE2 GLU A 6 -10.935 -15.624 -5.329 1.00 0.00 O ATOM 0 H GLU A 6 -6.005 -14.858 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.254 -15.013 -4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.550 -14.304 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.553 -13.797 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.458 -16.234 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.568 -16.689 -3.402 1.00 0.00 H new ATOM 84 N TYR A 7 -5.529 -12.604 -4.958 1.00 0.00 N ATOM 85 CA TYR A 7 -4.897 -11.223 -5.268 1.00 0.00 C ATOM 86 C TYR A 7 -5.845 -10.285 -6.113 1.00 0.00 C ATOM 87 O TYR A 7 -6.613 -10.781 -7.015 1.00 0.00 O ATOM 88 CB TYR A 7 -3.476 -11.398 -6.013 1.00 0.00 C ATOM 89 CG TYR A 7 -2.310 -12.185 -5.288 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.217 -13.595 -5.328 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.309 -11.498 -4.622 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.175 -14.264 -4.733 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.250 -12.172 -4.014 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.187 -13.549 -4.081 1.00 0.00 C ATOM 95 OH TYR A 7 0.862 -14.211 -3.492 1.00 0.00 O ATOM 0 H TYR A 7 -5.521 -13.221 -5.770 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.743 -10.734 -4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.665 -11.896 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.103 -10.400 -6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.983 -14.160 -5.838 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.349 -10.420 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.128 -15.342 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.517 -11.619 -3.493 1.00 0.00 H new ATOM 0 HH TYR A 7 1.468 -13.561 -3.078 1.00 0.00 H new ATOM 105 N GLU A 8 -5.775 -8.886 -5.787 1.00 0.00 N ATOM 106 CA GLU A 8 -6.656 -7.785 -6.436 1.00 0.00 C ATOM 107 C GLU A 8 -5.768 -6.538 -6.945 1.00 0.00 C ATOM 108 O GLU A 8 -4.866 -6.044 -6.208 1.00 0.00 O ATOM 109 CB GLU A 8 -7.859 -7.346 -5.415 1.00 0.00 C ATOM 110 CG GLU A 8 -9.175 -6.721 -6.049 1.00 0.00 C ATOM 111 CD GLU A 8 -10.266 -6.352 -5.019 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.255 -5.196 -4.514 1.00 0.00 O ATOM 113 OE2 GLU A 8 -11.150 -7.207 -4.743 1.00 0.00 O ATOM 0 H GLU A 8 -5.126 -8.518 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.128 -8.193 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.149 -8.226 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.452 -6.623 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.904 -5.826 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.592 -7.431 -6.763 1.00 0.00 H new ATOM 120 N GLU A 9 -6.069 -6.086 -8.266 1.00 0.00 N ATOM 121 CA GLU A 9 -5.460 -4.862 -8.977 1.00 0.00 C ATOM 122 C GLU A 9 -6.487 -3.632 -9.080 1.00 0.00 C ATOM 123 O GLU A 9 -7.556 -3.741 -9.775 1.00 0.00 O ATOM 124 CB GLU A 9 -4.694 -5.229 -10.385 1.00 0.00 C ATOM 125 CG GLU A 9 -5.492 -5.977 -11.569 1.00 0.00 C ATOM 126 CD GLU A 9 -4.647 -6.254 -12.832 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.623 -5.385 -13.746 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.033 -7.351 -12.919 1.00 0.00 O ATOM 0 H GLU A 9 -6.745 -6.574 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.658 -4.507 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.306 -4.296 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.833 -5.849 -10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.877 -6.923 -11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.354 -5.371 -11.849 1.00 0.00 H new ATOM 135 N ILE A 10 -6.137 -2.493 -8.321 1.00 0.00 N ATOM 136 CA ILE A 10 -6.996 -1.196 -8.192 1.00 0.00 C ATOM 137 C ILE A 10 -6.212 0.091 -8.868 1.00 0.00 C ATOM 138 O ILE A 10 -4.957 0.170 -8.832 1.00 0.00 O ATOM 139 CB ILE A 10 -7.455 -0.902 -6.564 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.114 -2.193 -5.850 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.537 0.295 -6.425 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.667 -2.445 -4.377 1.00 0.00 C ATOM 0 H ILE A 10 -5.268 -2.443 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.921 -1.342 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.518 -0.634 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.198 -2.083 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.873 -3.076 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.790 0.436 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.113 1.217 -6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.437 0.039 -6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.167 -3.334 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.588 -2.593 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.934 -1.584 -3.764 1.00 0.00 H new ATOM 154 N THR A 11 -7.070 1.061 -9.472 1.00 0.00 N ATOM 155 CA THR A 11 -6.666 2.447 -10.043 1.00 0.00 C ATOM 156 C THR A 11 -7.300 3.662 -9.259 1.00 0.00 C ATOM 157 O THR A 11 -8.555 3.708 -9.025 1.00 0.00 O ATOM 158 CB THR A 11 -6.872 2.655 -11.633 1.00 0.00 C ATOM 159 OG1 THR A 11 -7.918 1.841 -12.205 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.560 2.540 -12.414 1.00 0.00 C ATOM 0 H THR A 11 -8.070 0.889 -9.571 1.00 0.00 H new ATOM 0 HA THR A 11 -5.588 2.440 -9.880 1.00 0.00 H new ATOM 0 HB THR A 11 -7.220 3.683 -11.736 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.985 2.022 -13.166 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.755 2.688 -13.476 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.861 3.299 -12.064 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.129 1.551 -12.258 1.00 0.00 H new ATOM 168 N LEU A 12 -6.353 4.631 -8.826 1.00 0.00 N ATOM 169 CA LEU A 12 -6.654 5.954 -8.106 1.00 0.00 C ATOM 170 C LEU A 12 -5.955 7.204 -8.778 1.00 0.00 C ATOM 171 O LEU A 12 -4.843 7.079 -9.384 1.00 0.00 O ATOM 172 CB LEU A 12 -6.300 5.899 -6.483 1.00 0.00 C ATOM 173 CG LEU A 12 -7.223 5.146 -5.369 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.738 5.537 -5.306 1.00 0.00 C ATOM 175 CD2 LEU A 12 -7.003 3.632 -5.286 1.00 0.00 C ATOM 0 H LEU A 12 -5.353 4.498 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.731 6.086 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.307 5.456 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.214 6.935 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.821 5.577 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.230 4.961 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.830 6.601 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.209 5.322 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.656 3.211 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.233 3.178 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.964 3.429 -5.028 1.00 0.00 H new ATOM 187 N GLU A 13 -6.665 8.441 -8.644 1.00 0.00 N ATOM 188 CA GLU A 13 -6.201 9.836 -9.136 1.00 0.00 C ATOM 189 C GLU A 13 -5.518 10.636 -7.923 1.00 0.00 C ATOM 190 O GLU A 13 -6.156 10.852 -6.834 1.00 0.00 O ATOM 191 CB GLU A 13 -7.407 10.710 -9.769 1.00 0.00 C ATOM 192 CG GLU A 13 -8.161 10.139 -11.009 1.00 0.00 C ATOM 193 CD GLU A 13 -9.378 10.973 -11.476 1.00 0.00 C ATOM 194 OE1 GLU A 13 -9.197 11.881 -12.335 1.00 0.00 O ATOM 195 OE2 GLU A 13 -10.517 10.696 -11.009 1.00 0.00 O ATOM 0 H GLU A 13 -7.576 8.482 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.476 9.674 -9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.142 10.881 -8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.003 11.684 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.457 10.056 -11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.499 9.129 -10.776 1.00 0.00 H new ATOM 202 N ARG A 14 -4.199 11.059 -8.164 1.00 0.00 N ATOM 203 CA ARG A 14 -3.241 11.730 -7.179 1.00 0.00 C ATOM 204 C ARG A 14 -3.274 13.324 -7.209 1.00 0.00 C ATOM 205 O ARG A 14 -3.300 13.964 -8.308 1.00 0.00 O ATOM 206 CB ARG A 14 -1.689 11.076 -7.329 1.00 0.00 C ATOM 207 CG ARG A 14 -0.388 11.737 -6.567 1.00 0.00 C ATOM 208 CD ARG A 14 -0.408 11.694 -5.008 1.00 0.00 C ATOM 209 NE ARG A 14 0.541 12.708 -4.390 1.00 0.00 N ATOM 210 CZ ARG A 14 0.338 13.561 -3.260 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.784 13.543 -2.468 1.00 0.00 N ATOM 212 NH2 ARG A 14 1.287 14.423 -2.953 1.00 0.00 N ATOM 0 H ARG A 14 -3.768 10.934 -9.080 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.602 11.498 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.752 10.038 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.456 11.060 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.509 11.223 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.300 12.777 -6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.421 11.886 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.137 10.694 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 14 1.450 12.792 -4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.541 12.891 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.860 14.182 -1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.137 14.468 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.172 15.045 -2.153 1.00 0.00 H new ATOM 226 N GLY A 15 -3.306 13.891 -5.913 1.00 0.00 N ATOM 227 CA GLY A 15 -3.032 15.380 -5.594 1.00 0.00 C ATOM 228 C GLY A 15 -4.227 16.358 -5.637 1.00 0.00 C ATOM 229 O GLY A 15 -4.510 17.026 -4.614 1.00 0.00 O ATOM 0 H GLY A 15 -3.518 13.339 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.591 15.434 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.279 15.740 -6.296 1.00 0.00 H new ATOM 233 N ASN A 16 -4.928 16.425 -6.878 1.00 0.00 N ATOM 234 CA ASN A 16 -6.174 17.314 -7.231 1.00 0.00 C ATOM 235 C ASN A 16 -7.520 16.965 -6.416 1.00 0.00 C ATOM 236 O ASN A 16 -8.388 17.880 -6.216 1.00 0.00 O ATOM 237 CB ASN A 16 -6.442 17.352 -8.818 1.00 0.00 C ATOM 238 CG ASN A 16 -5.397 18.142 -9.668 1.00 0.00 C ATOM 239 OD1 ASN A 16 -4.388 17.583 -10.113 1.00 0.00 O ATOM 240 ND2 ASN A 16 -5.664 19.435 -9.910 1.00 0.00 N ATOM 0 H ASN A 16 -4.639 15.854 -7.673 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.899 18.314 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.479 16.326 -9.185 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.426 17.788 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.024 19.990 -10.478 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.507 19.862 -9.526 1.00 0.00 H new ATOM 247 N SER A 17 -7.630 15.614 -5.915 1.00 0.00 N ATOM 248 CA SER A 17 -8.738 15.091 -5.022 1.00 0.00 C ATOM 249 C SER A 17 -8.327 14.948 -3.462 1.00 0.00 C ATOM 250 O SER A 17 -9.261 15.007 -2.591 1.00 0.00 O ATOM 251 CB SER A 17 -9.380 13.745 -5.617 1.00 0.00 C ATOM 252 OG SER A 17 -8.429 12.682 -5.806 1.00 0.00 O ATOM 0 H SER A 17 -6.940 14.898 -6.141 1.00 0.00 H new ATOM 0 HA SER A 17 -9.511 15.860 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.167 13.401 -4.945 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.853 13.971 -6.573 1.00 0.00 H new ATOM 0 HG SER A 17 -8.886 11.895 -6.168 1.00 0.00 H new ATOM 258 N GLY A 18 -6.889 14.795 -3.101 1.00 0.00 N ATOM 259 CA GLY A 18 -6.373 14.815 -1.670 1.00 0.00 C ATOM 260 C GLY A 18 -6.415 13.451 -0.971 1.00 0.00 C ATOM 261 O GLY A 18 -7.140 13.326 0.044 1.00 0.00 O ATOM 0 H GLY A 18 -6.154 14.666 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.346 15.180 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.963 15.526 -1.092 1.00 0.00 H new ATOM 265 N LEU A 19 -5.613 12.398 -1.553 1.00 0.00 N ATOM 266 CA LEU A 19 -5.577 10.877 -1.172 1.00 0.00 C ATOM 267 C LEU A 19 -5.612 10.516 0.390 1.00 0.00 C ATOM 268 O LEU A 19 -4.724 10.975 1.187 1.00 0.00 O ATOM 269 CB LEU A 19 -4.416 10.061 -1.978 1.00 0.00 C ATOM 270 CG LEU A 19 -4.433 9.848 -3.549 1.00 0.00 C ATOM 271 CD1 LEU A 19 -3.151 9.149 -3.917 1.00 0.00 C ATOM 272 CD2 LEU A 19 -5.601 8.982 -4.074 1.00 0.00 C ATOM 0 H LEU A 19 -4.966 12.602 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.548 10.521 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.473 10.556 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.373 9.067 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.551 10.834 -4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.123 8.983 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.302 9.767 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.098 8.190 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.529 8.892 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.550 7.991 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.549 9.452 -3.811 1.00 0.00 H new ATOM 284 N GLY A 20 -6.703 9.689 0.760 1.00 0.00 N ATOM 285 CA GLY A 20 -7.161 9.401 2.140 1.00 0.00 C ATOM 286 C GLY A 20 -6.813 8.031 2.720 1.00 0.00 C ATOM 287 O GLY A 20 -7.731 7.242 3.056 1.00 0.00 O ATOM 0 H GLY A 20 -7.272 9.214 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.745 10.163 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.245 9.514 2.167 1.00 0.00 H new ATOM 291 N PHE A 21 -5.424 7.767 2.815 1.00 0.00 N ATOM 292 CA PHE A 21 -4.714 6.638 3.558 1.00 0.00 C ATOM 293 C PHE A 21 -3.175 7.082 3.824 1.00 0.00 C ATOM 294 O PHE A 21 -2.695 8.098 3.204 1.00 0.00 O ATOM 295 CB PHE A 21 -4.854 5.148 2.794 1.00 0.00 C ATOM 296 CG PHE A 21 -4.111 4.854 1.408 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.567 5.386 0.189 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.982 4.036 1.381 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.917 5.114 -0.998 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.331 3.763 0.186 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.800 4.303 -0.998 1.00 0.00 C ATOM 0 H PHE A 21 -4.752 8.375 2.347 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.207 6.482 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.514 4.393 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.917 4.974 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.442 6.019 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.610 3.610 2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.281 5.534 -1.924 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.457 3.128 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.290 4.089 -1.926 1.00 0.00 H new ATOM 311 N SER A 22 -2.414 6.329 4.783 1.00 0.00 N ATOM 312 CA SER A 22 -0.927 6.452 5.019 1.00 0.00 C ATOM 313 C SER A 22 -0.259 5.020 5.032 1.00 0.00 C ATOM 314 O SER A 22 -0.844 4.036 5.623 1.00 0.00 O ATOM 315 CB SER A 22 -0.582 7.297 6.301 1.00 0.00 C ATOM 316 OG SER A 22 -0.969 8.661 6.184 1.00 0.00 O ATOM 0 H SER A 22 -2.849 5.635 5.390 1.00 0.00 H new ATOM 0 HA SER A 22 -0.500 7.014 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.079 6.856 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.491 7.243 6.488 1.00 0.00 H new ATOM 0 HG SER A 22 -0.482 9.077 5.442 1.00 0.00 H new ATOM 322 N ILE A 23 1.000 4.912 4.370 1.00 0.00 N ATOM 323 CA ILE A 23 1.783 3.578 4.138 1.00 0.00 C ATOM 324 C ILE A 23 3.147 3.364 4.854 1.00 0.00 C ATOM 325 O ILE A 23 4.118 4.131 4.658 1.00 0.00 O ATOM 326 CB ILE A 23 1.770 2.955 2.628 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.906 3.953 1.349 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.538 2.123 2.502 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.274 4.638 1.012 1.00 0.00 C ATOM 0 H ILE A 23 1.486 5.725 3.993 1.00 0.00 H new ATOM 0 HA ILE A 23 1.101 2.960 4.722 1.00 0.00 H new ATOM 0 HB ILE A 23 2.705 2.399 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.604 3.388 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.173 4.749 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.493 1.688 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.560 1.325 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.341 2.747 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.160 5.263 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.589 5.255 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.027 3.873 0.821 1.00 0.00 H new ATOM 341 N ALA A 24 3.184 2.194 5.670 1.00 0.00 N ATOM 342 CA ALA A 24 4.351 1.782 6.543 1.00 0.00 C ATOM 343 C ALA A 24 5.158 0.590 5.902 1.00 0.00 C ATOM 344 O ALA A 24 4.617 -0.542 5.702 1.00 0.00 O ATOM 345 CB ALA A 24 3.871 1.506 8.011 1.00 0.00 C ATOM 0 H ALA A 24 2.403 1.540 5.719 1.00 0.00 H new ATOM 0 HA ALA A 24 5.058 2.609 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.723 1.211 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.423 2.410 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.132 0.704 8.008 1.00 0.00 H new ATOM 351 N GLY A 25 6.468 0.913 5.601 1.00 0.00 N ATOM 352 CA GLY A 25 7.446 0.031 4.878 1.00 0.00 C ATOM 353 C GLY A 25 8.847 0.635 4.791 1.00 0.00 C ATOM 354 O GLY A 25 8.991 1.893 4.777 1.00 0.00 O ATOM 0 H GLY A 25 6.874 1.812 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.503 -0.932 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.077 -0.162 3.871 1.00 0.00 H new ATOM 358 N GLY A 26 9.873 -0.292 4.687 1.00 0.00 N ATOM 359 CA GLY A 26 11.331 0.094 4.818 1.00 0.00 C ATOM 360 C GLY A 26 12.370 -1.028 4.801 1.00 0.00 C ATOM 361 O GLY A 26 12.106 -2.153 5.303 1.00 0.00 O ATOM 0 H GLY A 26 9.720 -1.286 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.569 0.783 4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.449 0.646 5.751 1.00 0.00 H new ATOM 365 N THR A 27 13.597 -0.660 4.224 1.00 0.00 N ATOM 366 CA THR A 27 14.932 -1.465 4.293 1.00 0.00 C ATOM 367 C THR A 27 15.911 -0.963 5.446 1.00 0.00 C ATOM 368 O THR A 27 16.634 -1.806 6.063 1.00 0.00 O ATOM 369 CB THR A 27 15.726 -1.645 2.902 1.00 0.00 C ATOM 370 OG1 THR A 27 15.762 -0.450 2.097 1.00 0.00 O ATOM 371 CG2 THR A 27 15.248 -2.862 2.099 1.00 0.00 C ATOM 0 H THR A 27 13.698 0.206 3.694 1.00 0.00 H new ATOM 0 HA THR A 27 14.582 -2.465 4.549 1.00 0.00 H new ATOM 0 HB THR A 27 16.758 -1.841 3.192 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.258 -0.627 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.818 -2.933 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.397 -3.767 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.189 -2.751 1.866 1.00 0.00 H new ATOM 379 N ASP A 28 15.873 0.440 5.729 1.00 0.00 N ATOM 380 CA ASP A 28 16.632 1.150 6.852 1.00 0.00 C ATOM 381 C ASP A 28 15.682 1.533 8.088 1.00 0.00 C ATOM 382 O ASP A 28 16.122 1.395 9.270 1.00 0.00 O ATOM 383 CB ASP A 28 17.487 2.418 6.342 1.00 0.00 C ATOM 384 CG ASP A 28 18.732 2.085 5.472 1.00 0.00 C ATOM 385 OD1 ASP A 28 18.591 2.011 4.226 1.00 0.00 O ATOM 386 OD2 ASP A 28 19.837 1.920 6.045 1.00 0.00 O ATOM 0 H ASP A 28 15.311 1.084 5.173 1.00 0.00 H new ATOM 0 HA ASP A 28 17.356 0.421 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.829 3.070 5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.816 2.985 7.213 1.00 0.00 H new ATOM 391 N ASN A 29 14.340 1.995 7.764 1.00 0.00 N ATOM 392 CA ASN A 29 13.257 2.387 8.750 1.00 0.00 C ATOM 393 C ASN A 29 12.127 1.143 8.915 1.00 0.00 C ATOM 394 O ASN A 29 11.250 1.005 8.013 1.00 0.00 O ATOM 395 CB ASN A 29 12.639 3.841 8.338 1.00 0.00 C ATOM 396 CG ASN A 29 11.797 4.588 9.429 1.00 0.00 C ATOM 397 OD1 ASN A 29 12.341 5.344 10.241 1.00 0.00 O ATOM 398 ND2 ASN A 29 10.473 4.393 9.412 1.00 0.00 N ATOM 0 H ASN A 29 14.029 2.088 6.797 1.00 0.00 H new ATOM 0 HA ASN A 29 13.671 2.517 9.750 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.464 4.489 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.010 3.705 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.878 4.876 10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.059 3.761 8.727 1.00 0.00 H new ATOM 405 N PRO A 30 12.178 0.163 10.104 1.00 0.00 N ATOM 406 CA PRO A 30 11.141 -1.008 10.338 1.00 0.00 C ATOM 407 C PRO A 30 9.612 -0.602 10.747 1.00 0.00 C ATOM 408 O PRO A 30 9.340 0.579 11.088 1.00 0.00 O ATOM 409 CB PRO A 30 11.806 -1.834 11.506 1.00 0.00 C ATOM 410 CG PRO A 30 13.251 -1.397 11.569 1.00 0.00 C ATOM 411 CD PRO A 30 13.266 0.058 11.203 1.00 0.00 C ATOM 0 HA PRO A 30 10.983 -1.529 9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.301 -1.643 12.453 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.732 -2.905 11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.661 -1.551 12.567 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.864 -1.978 10.880 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.034 0.690 12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.243 0.369 10.833 1.00 0.00 H new ATOM 419 N HIS A 31 8.646 -1.649 10.612 1.00 0.00 N ATOM 420 CA HIS A 31 7.196 -1.633 11.078 1.00 0.00 C ATOM 421 C HIS A 31 6.892 -2.807 12.156 1.00 0.00 C ATOM 422 O HIS A 31 6.189 -2.528 13.158 1.00 0.00 O ATOM 423 CB HIS A 31 6.149 -1.623 9.788 1.00 0.00 C ATOM 424 CG HIS A 31 4.582 -1.723 10.066 1.00 0.00 C ATOM 425 ND1 HIS A 31 3.856 -0.796 10.816 1.00 0.00 N ATOM 426 CD2 HIS A 31 3.694 -2.700 9.750 1.00 0.00 C ATOM 427 CE1 HIS A 31 2.599 -1.218 10.943 1.00 0.00 C ATOM 428 NE2 HIS A 31 2.480 -2.363 10.306 1.00 0.00 N ATOM 0 H HIS A 31 8.888 -2.532 10.163 1.00 0.00 H new ATOM 0 HA HIS A 31 7.024 -0.700 11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.326 -0.705 9.227 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.422 -2.453 9.136 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.903 -3.584 9.166 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.812 -0.707 11.478 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.624 -2.914 10.235 1.00 0.00 H new ATOM 437 N ILE A 32 7.459 -4.087 11.902 1.00 0.00 N ATOM 438 CA ILE A 32 7.130 -5.375 12.621 1.00 0.00 C ATOM 439 C ILE A 32 8.394 -5.981 13.530 1.00 0.00 C ATOM 440 O ILE A 32 8.334 -7.168 13.998 1.00 0.00 O ATOM 441 CB ILE A 32 6.392 -6.441 11.491 1.00 0.00 C ATOM 442 CG1 ILE A 32 5.537 -7.584 12.113 1.00 0.00 C ATOM 443 CG2 ILE A 32 7.290 -7.013 10.324 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.065 -7.232 12.469 1.00 0.00 C ATOM 0 H ILE A 32 8.163 -4.222 11.177 1.00 0.00 H new ATOM 0 HA ILE A 32 6.399 -5.200 13.410 1.00 0.00 H new ATOM 0 HB ILE A 32 5.720 -5.727 11.015 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.529 -8.422 11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.035 -7.928 13.020 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.691 -7.669 9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.679 -6.188 9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.121 -7.577 10.747 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.574 -8.108 12.894 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.051 -6.420 13.196 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.537 -6.922 11.567 1.00 0.00 H new ATOM 456 N GLY A 33 9.434 -5.073 13.795 1.00 0.00 N ATOM 457 CA GLY A 33 10.691 -5.380 14.543 1.00 0.00 C ATOM 458 C GLY A 33 11.948 -4.851 13.856 1.00 0.00 C ATOM 459 O GLY A 33 12.554 -3.873 14.351 1.00 0.00 O ATOM 0 H GLY A 33 9.395 -4.104 13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.624 -4.951 15.543 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.779 -6.460 14.664 1.00 0.00 H new ATOM 463 N ASP A 34 12.346 -5.547 12.662 1.00 0.00 N ATOM 464 CA ASP A 34 13.625 -5.302 11.776 1.00 0.00 C ATOM 465 C ASP A 34 13.500 -5.821 10.207 1.00 0.00 C ATOM 466 O ASP A 34 14.532 -5.815 9.444 1.00 0.00 O ATOM 467 CB ASP A 34 15.012 -5.804 12.541 1.00 0.00 C ATOM 468 CG ASP A 34 15.145 -7.328 12.917 1.00 0.00 C ATOM 469 OD1 ASP A 34 14.729 -7.704 14.036 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.670 -8.103 12.086 1.00 0.00 O ATOM 0 H ASP A 34 11.775 -6.304 12.287 1.00 0.00 H new ATOM 0 HA ASP A 34 13.699 -4.220 11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.857 -5.543 11.903 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.115 -5.225 13.459 1.00 0.00 H new ATOM 475 N ASP A 35 12.187 -6.138 9.724 1.00 0.00 N ATOM 476 CA ASP A 35 11.845 -6.825 8.383 1.00 0.00 C ATOM 477 C ASP A 35 11.637 -5.832 7.075 1.00 0.00 C ATOM 478 O ASP A 35 11.119 -4.694 7.272 1.00 0.00 O ATOM 479 CB ASP A 35 10.621 -7.808 8.553 1.00 0.00 C ATOM 480 CG ASP A 35 10.927 -9.165 9.252 1.00 0.00 C ATOM 481 OD1 ASP A 35 10.814 -9.236 10.501 1.00 0.00 O ATOM 482 OD2 ASP A 35 11.260 -10.144 8.539 1.00 0.00 O ATOM 0 H ASP A 35 11.352 -5.917 10.267 1.00 0.00 H new ATOM 0 HA ASP A 35 12.747 -7.385 8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.845 -7.296 9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.207 -8.016 7.566 1.00 0.00 H new ATOM 487 N PRO A 36 12.076 -6.280 5.644 1.00 0.00 N ATOM 488 CA PRO A 36 11.970 -5.387 4.359 1.00 0.00 C ATOM 489 C PRO A 36 10.497 -5.089 3.679 1.00 0.00 C ATOM 490 O PRO A 36 10.390 -4.131 2.850 1.00 0.00 O ATOM 491 CB PRO A 36 12.928 -6.126 3.334 1.00 0.00 C ATOM 492 CG PRO A 36 13.692 -7.157 4.122 1.00 0.00 C ATOM 493 CD PRO A 36 12.763 -7.608 5.211 1.00 0.00 C ATOM 0 HA PRO A 36 12.234 -4.369 4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.353 -6.597 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.609 -5.418 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.988 -7.993 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.606 -6.733 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.040 -8.339 4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.302 -8.073 6.036 1.00 0.00 H new ATOM 501 N SER A 37 9.378 -5.888 4.109 1.00 0.00 N ATOM 502 CA SER A 37 7.931 -5.871 3.511 1.00 0.00 C ATOM 503 C SER A 37 7.039 -4.573 3.930 1.00 0.00 C ATOM 504 O SER A 37 7.126 -4.090 5.103 1.00 0.00 O ATOM 505 CB SER A 37 7.218 -7.252 3.870 1.00 0.00 C ATOM 506 OG SER A 37 5.983 -7.466 3.162 1.00 0.00 O ATOM 0 H SER A 37 9.466 -6.554 4.876 1.00 0.00 H new ATOM 0 HA SER A 37 8.019 -5.771 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.901 -8.072 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.022 -7.282 4.942 1.00 0.00 H new ATOM 0 HG SER A 37 5.600 -8.328 3.426 1.00 0.00 H new ATOM 512 N ILE A 38 6.194 -4.040 2.888 1.00 0.00 N ATOM 513 CA ILE A 38 5.268 -2.801 3.005 1.00 0.00 C ATOM 514 C ILE A 38 3.725 -3.284 3.307 1.00 0.00 C ATOM 515 O ILE A 38 3.181 -4.173 2.596 1.00 0.00 O ATOM 516 CB ILE A 38 5.371 -1.702 1.656 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.823 -1.543 0.786 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.795 -0.253 1.945 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.249 -1.592 1.483 1.00 0.00 C ATOM 0 H ILE A 38 6.152 -4.468 1.963 1.00 0.00 H new ATOM 0 HA ILE A 38 5.626 -2.214 3.851 1.00 0.00 H new ATOM 0 HB ILE A 38 4.722 -2.268 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.820 -2.327 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.767 -0.591 0.259 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.899 0.365 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.741 -0.327 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.348 0.201 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.027 -1.469 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.323 -0.789 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.377 -2.552 1.983 1.00 0.00 H new ATOM 531 N PHE A 39 3.098 -2.643 4.413 1.00 0.00 N ATOM 532 CA PHE A 39 1.684 -2.909 5.007 1.00 0.00 C ATOM 533 C PHE A 39 0.901 -1.522 5.308 1.00 0.00 C ATOM 534 O PHE A 39 1.563 -0.410 5.439 1.00 0.00 O ATOM 535 CB PHE A 39 1.763 -3.770 6.424 1.00 0.00 C ATOM 536 CG PHE A 39 2.413 -5.219 6.473 1.00 0.00 C ATOM 537 CD1 PHE A 39 1.718 -6.371 6.050 1.00 0.00 C ATOM 538 CD2 PHE A 39 3.695 -5.402 7.013 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.289 -7.634 6.159 1.00 0.00 C ATOM 540 CE2 PHE A 39 4.261 -6.669 7.114 1.00 0.00 C ATOM 541 CZ PHE A 39 3.556 -7.779 6.689 1.00 0.00 C ATOM 0 H PHE A 39 3.582 -1.906 4.927 1.00 0.00 H new ATOM 0 HA PHE A 39 1.145 -3.488 4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.306 -3.154 7.141 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.743 -3.867 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.726 -6.270 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.253 -4.543 7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.740 -8.504 5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.253 -6.785 7.525 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.997 -8.762 6.771 1.00 0.00 H new ATOM 551 N ILE A 40 -0.555 -1.602 5.407 1.00 0.00 N ATOM 552 CA ILE A 40 -1.498 -0.461 5.838 1.00 0.00 C ATOM 553 C ILE A 40 -1.715 -0.507 7.433 1.00 0.00 C ATOM 554 O ILE A 40 -1.789 -1.617 8.060 1.00 0.00 O ATOM 555 CB ILE A 40 -3.018 -0.468 5.060 1.00 0.00 C ATOM 556 CG1 ILE A 40 -3.116 -1.138 3.552 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.770 0.948 5.088 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.254 -0.551 2.400 1.00 0.00 C ATOM 0 H ILE A 40 -1.061 -2.460 5.186 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.004 0.462 5.533 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.547 -1.172 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.862 -2.194 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.159 -1.088 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.727 0.862 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.939 1.250 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.156 1.696 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.443 -1.110 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.515 0.496 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.198 -0.627 2.660 1.00 0.00 H new ATOM 570 N THR A 41 -1.829 0.753 8.009 1.00 0.00 N ATOM 571 CA THR A 41 -2.052 1.063 9.516 1.00 0.00 C ATOM 572 C THR A 41 -2.962 2.356 9.778 1.00 0.00 C ATOM 573 O THR A 41 -3.671 2.387 10.836 1.00 0.00 O ATOM 574 CB THR A 41 -0.694 0.932 10.521 1.00 0.00 C ATOM 575 OG1 THR A 41 -1.014 1.083 11.924 1.00 0.00 O ATOM 576 CG2 THR A 41 0.512 1.867 10.181 1.00 0.00 C ATOM 0 H THR A 41 -1.770 1.602 7.447 1.00 0.00 H new ATOM 0 HA THR A 41 -2.653 0.219 9.855 1.00 0.00 H new ATOM 0 HB THR A 41 -0.366 -0.086 10.313 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.196 0.997 12.457 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.320 1.692 10.892 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.865 1.654 9.172 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.194 2.908 10.242 1.00 0.00 H new ATOM 584 N LYS A 42 -2.954 3.407 8.766 1.00 0.00 N ATOM 585 CA LYS A 42 -3.745 4.685 8.892 1.00 0.00 C ATOM 586 C LYS A 42 -4.722 4.865 7.653 1.00 0.00 C ATOM 587 O LYS A 42 -4.298 4.758 6.459 1.00 0.00 O ATOM 588 CB LYS A 42 -2.737 5.946 9.156 1.00 0.00 C ATOM 589 CG LYS A 42 -3.263 7.211 9.950 1.00 0.00 C ATOM 590 CD LYS A 42 -3.813 8.352 9.058 1.00 0.00 C ATOM 591 CE LYS A 42 -4.271 9.516 9.917 1.00 0.00 C ATOM 592 NZ LYS A 42 -4.631 10.712 9.118 1.00 0.00 N ATOM 0 H LYS A 42 -2.411 3.346 7.905 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.397 4.639 9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.868 5.563 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.386 6.293 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.049 6.892 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.450 7.605 10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.041 8.685 8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.645 7.985 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.132 9.208 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.479 9.778 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.162 11.550 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.322 10.578 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.662 10.848 9.142 1.00 0.00 H new ATOM 606 N ILE A 43 -6.061 5.060 8.020 1.00 0.00 N ATOM 607 CA ILE A 43 -7.224 5.367 7.102 1.00 0.00 C ATOM 608 C ILE A 43 -7.892 6.751 7.573 1.00 0.00 C ATOM 609 O ILE A 43 -8.233 6.917 8.791 1.00 0.00 O ATOM 610 CB ILE A 43 -8.340 4.025 6.958 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.715 2.636 6.298 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.811 4.312 6.363 1.00 0.00 C ATOM 613 CD1 ILE A 43 -7.029 2.662 4.862 1.00 0.00 C ATOM 0 H ILE A 43 -6.354 5.003 8.995 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.869 5.502 6.080 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.498 3.858 8.023 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.976 2.250 7.001 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.525 1.908 6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.381 3.383 6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.325 5.036 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.723 4.712 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.684 1.660 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.752 2.998 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.180 3.346 4.877 1.00 0.00 H new ATOM 625 N ILE A 44 -8.066 7.716 6.545 1.00 0.00 N ATOM 626 CA ILE A 44 -8.817 9.050 6.685 1.00 0.00 C ATOM 627 C ILE A 44 -10.467 8.805 6.470 1.00 0.00 C ATOM 628 O ILE A 44 -10.837 8.161 5.449 1.00 0.00 O ATOM 629 CB ILE A 44 -8.139 10.320 5.718 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.649 10.753 6.091 1.00 0.00 C ATOM 631 CG2 ILE A 44 -8.944 11.657 5.661 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.516 9.868 5.625 1.00 0.00 C ATOM 0 H ILE A 44 -7.687 7.579 5.608 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.684 9.418 7.702 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.174 9.815 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.480 11.752 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.586 10.833 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.419 12.371 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.936 11.467 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.040 12.067 6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.566 10.290 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.635 8.871 6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.528 9.804 4.537 1.00 0.00 H new ATOM 644 N PRO A 45 -11.478 9.362 7.483 1.00 0.00 N ATOM 645 CA PRO A 45 -13.032 9.184 7.373 1.00 0.00 C ATOM 646 C PRO A 45 -13.788 9.867 6.090 1.00 0.00 C ATOM 647 O PRO A 45 -14.910 9.391 5.709 1.00 0.00 O ATOM 648 CB PRO A 45 -13.560 9.754 8.750 1.00 0.00 C ATOM 649 CG PRO A 45 -12.362 9.796 9.667 1.00 0.00 C ATOM 650 CD PRO A 45 -11.181 10.137 8.792 1.00 0.00 C ATOM 0 HA PRO A 45 -13.262 8.135 7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.989 10.748 8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.344 9.118 9.161 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.496 10.542 10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.216 8.836 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.106 11.210 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.240 9.821 9.243 1.00 0.00 H new ATOM 658 N GLY A 46 -13.103 10.946 5.453 1.00 0.00 N ATOM 659 CA GLY A 46 -13.589 11.670 4.227 1.00 0.00 C ATOM 660 C GLY A 46 -12.532 11.850 3.098 1.00 0.00 C ATOM 661 O GLY A 46 -12.411 12.984 2.559 1.00 0.00 O ATOM 0 H GLY A 46 -12.213 11.306 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.443 11.128 3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.949 12.655 4.525 1.00 0.00 H new ATOM 665 N GLY A 47 -11.753 10.695 2.758 1.00 0.00 N ATOM 666 CA GLY A 47 -10.765 10.595 1.606 1.00 0.00 C ATOM 667 C GLY A 47 -11.316 9.889 0.315 1.00 0.00 C ATOM 668 O GLY A 47 -12.515 9.499 0.260 1.00 0.00 O ATOM 0 H GLY A 47 -11.816 9.828 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.438 11.600 1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.884 10.053 1.950 1.00 0.00 H new ATOM 672 N ALA A 48 -10.378 9.743 -0.739 1.00 0.00 N ATOM 673 CA ALA A 48 -10.645 9.152 -2.142 1.00 0.00 C ATOM 674 C ALA A 48 -10.652 7.546 -2.254 1.00 0.00 C ATOM 675 O ALA A 48 -11.501 7.006 -2.988 1.00 0.00 O ATOM 676 CB ALA A 48 -9.719 9.822 -3.204 1.00 0.00 C ATOM 0 H ALA A 48 -9.408 10.038 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.683 9.405 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.921 9.393 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.912 10.895 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.676 9.647 -2.940 1.00 0.00 H new ATOM 682 N ALA A 49 -9.681 6.805 -1.489 1.00 0.00 N ATOM 683 CA ALA A 49 -9.545 5.255 -1.435 1.00 0.00 C ATOM 684 C ALA A 49 -10.554 4.478 -0.442 1.00 0.00 C ATOM 685 O ALA A 49 -10.878 3.255 -0.696 1.00 0.00 O ATOM 686 CB ALA A 49 -8.083 4.860 -1.202 1.00 0.00 C ATOM 0 H ALA A 49 -8.988 7.274 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.870 4.911 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.001 3.774 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.468 5.244 -2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.738 5.281 -0.258 1.00 0.00 H new ATOM 692 N ALA A 50 -11.073 5.250 0.670 1.00 0.00 N ATOM 693 CA ALA A 50 -12.065 4.792 1.748 1.00 0.00 C ATOM 694 C ALA A 50 -13.609 4.916 1.305 1.00 0.00 C ATOM 695 O ALA A 50 -14.385 3.942 1.507 1.00 0.00 O ATOM 696 CB ALA A 50 -11.789 5.566 3.095 1.00 0.00 C ATOM 0 H ALA A 50 -10.787 6.219 0.812 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.896 3.726 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.497 5.236 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.773 5.360 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.907 6.637 2.930 1.00 0.00 H new ATOM 702 N GLN A 51 -14.010 6.157 0.672 1.00 0.00 N ATOM 703 CA GLN A 51 -15.404 6.538 0.155 1.00 0.00 C ATOM 704 C GLN A 51 -15.682 6.162 -1.384 1.00 0.00 C ATOM 705 O GLN A 51 -16.699 5.467 -1.660 1.00 0.00 O ATOM 706 CB GLN A 51 -15.669 8.102 0.405 1.00 0.00 C ATOM 707 CG GLN A 51 -15.790 8.605 1.912 1.00 0.00 C ATOM 708 CD GLN A 51 -17.212 8.586 2.612 1.00 0.00 C ATOM 709 OE1 GLN A 51 -18.101 7.737 2.347 1.00 0.00 O ATOM 710 NE2 GLN A 51 -17.415 9.543 3.512 1.00 0.00 N ATOM 0 H GLN A 51 -13.337 6.908 0.521 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.107 5.932 0.727 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.861 8.658 -0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.589 8.372 -0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -15.116 7.999 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.418 9.629 1.949 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -16.679 10.221 3.711 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.307 9.599 4.004 1.00 0.00 H new ATOM 719 N ASP A 52 -14.724 6.630 -2.374 1.00 0.00 N ATOM 720 CA ASP A 52 -14.860 6.539 -3.887 1.00 0.00 C ATOM 721 C ASP A 52 -14.273 5.246 -4.614 1.00 0.00 C ATOM 722 O ASP A 52 -14.947 4.762 -5.586 1.00 0.00 O ATOM 723 CB ASP A 52 -14.331 7.876 -4.577 1.00 0.00 C ATOM 724 CG ASP A 52 -15.306 9.085 -4.553 1.00 0.00 C ATOM 725 OD1 ASP A 52 -16.108 9.229 -5.510 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.247 9.885 -3.586 1.00 0.00 O ATOM 0 H ASP A 52 -13.849 7.075 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.934 6.420 -4.031 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.404 8.172 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.085 7.653 -5.615 1.00 0.00 H new ATOM 731 N GLY A 53 -13.046 4.637 -4.100 1.00 0.00 N ATOM 732 CA GLY A 53 -12.297 3.543 -4.860 1.00 0.00 C ATOM 733 C GLY A 53 -12.690 2.069 -4.596 1.00 0.00 C ATOM 734 O GLY A 53 -13.395 1.508 -5.450 1.00 0.00 O ATOM 0 H GLY A 53 -12.615 4.898 -3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.420 3.734 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.235 3.650 -4.637 1.00 0.00 H new ATOM 738 N ARG A 54 -12.267 1.460 -3.356 1.00 0.00 N ATOM 739 CA ARG A 54 -12.487 -0.060 -2.832 1.00 0.00 C ATOM 740 C ARG A 54 -11.729 -0.399 -1.459 1.00 0.00 C ATOM 741 O ARG A 54 -12.250 -1.255 -0.663 1.00 0.00 O ATOM 742 CB ARG A 54 -12.085 -1.271 -3.891 1.00 0.00 C ATOM 743 CG ARG A 54 -13.172 -1.713 -4.892 1.00 0.00 C ATOM 744 CD ARG A 54 -12.655 -2.802 -5.834 1.00 0.00 C ATOM 745 NE ARG A 54 -13.702 -3.238 -6.849 1.00 0.00 N ATOM 746 CZ ARG A 54 -13.582 -4.125 -7.955 1.00 0.00 C ATOM 747 NH1 ARG A 54 -12.421 -4.769 -8.309 1.00 0.00 N ATOM 748 NH2 ARG A 54 -14.659 -4.343 -8.699 1.00 0.00 N ATOM 0 H ARG A 54 -11.752 2.009 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.569 -0.054 -2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.212 -0.949 -4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.784 -2.143 -3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.041 -2.083 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.503 -0.853 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.774 -2.435 -6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.340 -3.665 -5.248 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.629 -2.834 -6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.571 -4.624 -7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.409 -5.392 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.539 -3.880 -8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.607 -4.973 -9.499 1.00 0.00 H new ATOM 762 N LEU A 55 -10.540 0.367 -1.128 1.00 0.00 N ATOM 763 CA LEU A 55 -9.479 -0.026 -0.115 1.00 0.00 C ATOM 764 C LEU A 55 -9.821 0.199 1.444 1.00 0.00 C ATOM 765 O LEU A 55 -10.272 1.295 1.882 1.00 0.00 O ATOM 766 CB LEU A 55 -8.034 0.573 -0.632 1.00 0.00 C ATOM 767 CG LEU A 55 -6.695 0.424 0.217 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.560 -0.104 -0.632 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.319 1.781 0.781 1.00 0.00 C ATOM 0 H LEU A 55 -10.335 1.259 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.431 -1.115 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.839 0.121 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.180 1.640 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.871 -0.289 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.661 -0.194 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.828 -1.083 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.372 0.584 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.403 1.691 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.161 2.484 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.123 2.144 1.421 1.00 0.00 H new ATOM 781 N ARG A 56 -9.589 -0.968 2.195 1.00 0.00 N ATOM 782 CA ARG A 56 -9.584 -1.154 3.709 1.00 0.00 C ATOM 783 C ARG A 56 -8.092 -1.462 4.237 1.00 0.00 C ATOM 784 O ARG A 56 -7.228 -2.025 3.482 1.00 0.00 O ATOM 785 CB ARG A 56 -10.609 -2.316 4.178 1.00 0.00 C ATOM 786 CG ARG A 56 -12.095 -1.992 4.182 1.00 0.00 C ATOM 787 CD ARG A 56 -12.811 -3.202 4.704 1.00 0.00 C ATOM 788 NE ARG A 56 -14.312 -3.002 4.860 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.312 -3.918 5.296 1.00 0.00 C ATOM 790 NH1 ARG A 56 -15.066 -5.220 5.655 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.566 -3.488 5.356 1.00 0.00 N ATOM 0 H ARG A 56 -9.390 -1.849 1.721 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.927 -0.220 4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.456 -3.179 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.330 -2.621 5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.298 -1.124 4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.438 -1.746 3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.633 -4.039 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.387 -3.476 5.670 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.653 -2.072 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.115 -5.588 5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.834 -5.819 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.789 -2.528 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.307 -4.118 5.664 1.00 0.00 H new ATOM 805 N VAL A 57 -7.830 -1.129 5.590 1.00 0.00 N ATOM 806 CA VAL A 57 -6.516 -1.304 6.426 1.00 0.00 C ATOM 807 C VAL A 57 -5.875 -2.824 6.463 1.00 0.00 C ATOM 808 O VAL A 57 -4.637 -3.001 6.648 1.00 0.00 O ATOM 809 CB VAL A 57 -6.774 -0.640 7.900 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.634 -1.334 8.976 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.691 0.218 8.431 1.00 0.00 C ATOM 0 H VAL A 57 -8.564 -0.709 6.160 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.715 -0.772 5.913 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.562 0.016 7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.667 -0.713 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.646 -1.477 8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.198 -2.302 9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.977 0.600 9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.775 -0.366 8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.522 1.053 7.751 1.00 0.00 H new ATOM 821 N ASN A 58 -6.827 -3.826 6.286 1.00 0.00 N ATOM 822 CA ASN A 58 -6.630 -5.291 6.261 1.00 0.00 C ATOM 823 C ASN A 58 -6.356 -5.869 4.721 1.00 0.00 C ATOM 824 O ASN A 58 -6.271 -7.129 4.535 1.00 0.00 O ATOM 825 CB ASN A 58 -7.904 -5.920 7.040 1.00 0.00 C ATOM 826 CG ASN A 58 -7.752 -7.376 7.596 1.00 0.00 C ATOM 827 OD1 ASN A 58 -8.042 -8.355 6.897 1.00 0.00 O ATOM 828 ND2 ASN A 58 -7.327 -7.501 8.860 1.00 0.00 N ATOM 0 H ASN A 58 -7.809 -3.586 6.150 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.719 -5.600 6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.148 -5.263 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.757 -5.904 6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.233 -8.427 9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.097 -6.670 9.405 1.00 0.00 H new ATOM 835 N ASP A 59 -6.141 -4.882 3.634 1.00 0.00 N ATOM 836 CA ASP A 59 -5.870 -5.275 2.150 1.00 0.00 C ATOM 837 C ASP A 59 -4.338 -5.519 1.758 1.00 0.00 C ATOM 838 O ASP A 59 -4.041 -6.429 0.906 1.00 0.00 O ATOM 839 CB ASP A 59 -6.600 -4.321 1.116 1.00 0.00 C ATOM 840 CG ASP A 59 -8.104 -4.621 0.887 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.947 -4.073 1.629 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.424 -5.394 -0.052 1.00 0.00 O ATOM 0 H ASP A 59 -6.157 -3.874 3.790 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.325 -6.263 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.500 -3.292 1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.083 -4.387 0.159 1.00 0.00 H new ATOM 847 N SER A 60 -3.337 -4.667 2.413 1.00 0.00 N ATOM 848 CA SER A 60 -1.751 -4.691 2.292 1.00 0.00 C ATOM 849 C SER A 60 -1.137 -4.830 0.825 1.00 0.00 C ATOM 850 O SER A 60 -1.358 -5.875 0.134 1.00 0.00 O ATOM 851 CB SER A 60 -1.071 -5.678 3.336 1.00 0.00 C ATOM 852 OG SER A 60 -1.327 -5.282 4.680 1.00 0.00 O ATOM 0 H SER A 60 -3.637 -3.931 3.053 1.00 0.00 H new ATOM 0 HA SER A 60 -1.479 -3.671 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.445 -6.689 3.177 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.005 -5.705 3.163 1.00 0.00 H new ATOM 0 HG SER A 60 -1.344 -6.074 5.257 1.00 0.00 H new ATOM 858 N ILE A 61 -0.331 -3.756 0.386 1.00 0.00 N ATOM 859 CA ILE A 61 0.283 -3.620 -1.047 1.00 0.00 C ATOM 860 C ILE A 61 1.693 -4.423 -1.137 1.00 0.00 C ATOM 861 O ILE A 61 2.605 -4.219 -0.281 1.00 0.00 O ATOM 862 CB ILE A 61 0.463 -2.007 -1.612 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.793 -1.036 -1.226 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.628 -1.989 -3.224 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.504 0.508 -1.098 1.00 0.00 C ATOM 0 H ILE A 61 -0.089 -2.974 0.995 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.449 -4.071 -1.717 1.00 0.00 H new ATOM 0 HB ILE A 61 1.354 -1.622 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.568 -1.172 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.206 -1.381 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.741 -0.960 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.510 -2.564 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.256 -2.430 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.425 1.030 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.240 0.676 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.127 0.888 -2.048 1.00 0.00 H new ATOM 877 N LEU A 62 1.781 -5.342 -2.226 1.00 0.00 N ATOM 878 CA LEU A 62 3.055 -6.063 -2.675 1.00 0.00 C ATOM 879 C LEU A 62 3.814 -5.296 -3.808 1.00 0.00 C ATOM 880 O LEU A 62 5.076 -5.215 -3.759 1.00 0.00 O ATOM 881 CB LEU A 62 2.850 -7.659 -3.020 1.00 0.00 C ATOM 882 CG LEU A 62 1.845 -8.182 -4.147 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.257 -9.548 -4.562 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.413 -8.268 -3.666 1.00 0.00 C ATOM 0 H LEU A 62 0.970 -5.586 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 62 3.701 -6.051 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.835 -8.049 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.550 -8.141 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 62 1.889 -7.466 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.578 -9.915 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.272 -9.517 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.224 -10.215 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.222 -8.629 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.353 -8.956 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.075 -7.280 -3.353 1.00 0.00 H new ATOM 896 N PHE A 63 2.986 -4.757 -4.865 1.00 0.00 N ATOM 897 CA PHE A 63 3.532 -4.010 -6.099 1.00 0.00 C ATOM 898 C PHE A 63 2.825 -2.648 -6.364 1.00 0.00 C ATOM 899 O PHE A 63 1.583 -2.590 -6.447 1.00 0.00 O ATOM 900 CB PHE A 63 3.555 -4.984 -7.424 1.00 0.00 C ATOM 901 CG PHE A 63 4.635 -6.149 -7.411 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.425 -7.339 -6.699 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.812 -6.028 -8.108 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.347 -8.349 -6.680 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.756 -7.029 -8.094 1.00 0.00 C ATOM 906 CZ PHE A 63 6.531 -8.199 -7.376 1.00 0.00 C ATOM 0 H PHE A 63 1.969 -4.838 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 63 4.565 -3.747 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.568 -5.432 -7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.728 -4.364 -8.304 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.505 -7.462 -6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.000 -5.130 -8.678 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.151 -9.255 -6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.677 -6.906 -8.644 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.274 -8.982 -7.363 1.00 0.00 H new ATOM 916 N VAL A 64 3.669 -1.527 -6.501 1.00 0.00 N ATOM 917 CA VAL A 64 3.159 -0.038 -6.746 1.00 0.00 C ATOM 918 C VAL A 64 3.673 0.372 -8.166 1.00 0.00 C ATOM 919 O VAL A 64 4.808 0.186 -8.441 1.00 0.00 O ATOM 920 CB VAL A 64 3.560 1.108 -5.529 1.00 0.00 C ATOM 921 CG1 VAL A 64 2.830 2.488 -5.658 1.00 0.00 C ATOM 922 CG2 VAL A 64 3.308 0.622 -4.090 1.00 0.00 C ATOM 0 H VAL A 64 4.685 -1.598 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 64 2.070 -0.030 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 64 4.628 1.233 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.146 3.144 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.083 2.945 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.752 2.336 -5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.588 1.406 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.252 0.384 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.906 -0.269 -3.897 1.00 0.00 H new ATOM 932 N ASN A 65 2.716 0.931 -9.080 1.00 0.00 N ATOM 933 CA ASN A 65 2.918 1.328 -10.647 1.00 0.00 C ATOM 934 C ASN A 65 2.980 0.059 -11.665 1.00 0.00 C ATOM 935 O ASN A 65 2.927 0.231 -12.926 1.00 0.00 O ATOM 936 CB ASN A 65 4.219 2.323 -10.965 1.00 0.00 C ATOM 937 CG ASN A 65 4.142 3.794 -10.512 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.067 4.427 -10.431 1.00 0.00 O ATOM 939 ND2 ASN A 65 5.313 4.359 -10.251 1.00 0.00 N ATOM 0 H ASN A 65 1.765 1.130 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 65 2.004 1.890 -10.839 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.099 1.878 -10.501 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.388 2.315 -12.042 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.356 5.340 -9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.171 3.813 -10.327 1.00 0.00 H new ATOM 946 N GLU A 66 2.961 -1.238 -11.042 1.00 0.00 N ATOM 947 CA GLU A 66 3.417 -2.654 -11.580 1.00 0.00 C ATOM 948 C GLU A 66 4.993 -2.942 -11.259 1.00 0.00 C ATOM 949 O GLU A 66 5.560 -4.022 -11.651 1.00 0.00 O ATOM 950 CB GLU A 66 2.951 -3.098 -13.100 1.00 0.00 C ATOM 951 CG GLU A 66 1.421 -3.363 -13.293 1.00 0.00 C ATOM 952 CD GLU A 66 1.025 -3.833 -14.714 1.00 0.00 C ATOM 953 OE1 GLU A 66 0.724 -2.965 -15.577 1.00 0.00 O ATOM 954 OE2 GLU A 66 0.983 -5.071 -14.952 1.00 0.00 O ATOM 0 H GLU A 66 2.604 -1.326 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 66 2.813 -3.344 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.256 -2.316 -13.796 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.495 -4.001 -13.377 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.102 -4.116 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.875 -2.449 -13.061 1.00 0.00 H new ATOM 961 N VAL A 67 5.653 -1.957 -10.393 1.00 0.00 N ATOM 962 CA VAL A 67 7.094 -1.987 -9.918 1.00 0.00 C ATOM 963 C VAL A 67 7.285 -2.655 -8.497 1.00 0.00 C ATOM 964 O VAL A 67 6.341 -2.600 -7.606 1.00 0.00 O ATOM 965 CB VAL A 67 8.007 -0.597 -10.104 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.282 -0.252 -11.532 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.646 0.675 -9.245 1.00 0.00 C ATOM 0 H VAL A 67 5.151 -1.144 -10.037 1.00 0.00 H new ATOM 0 HA VAL A 67 7.536 -2.655 -10.658 1.00 0.00 H new ATOM 0 HB VAL A 67 8.935 -0.922 -9.633 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.878 0.659 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.829 -1.068 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.339 -0.096 -12.057 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.334 1.485 -9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.626 0.987 -9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.729 0.434 -8.185 1.00 0.00 H new ATOM 977 N ASP A 68 8.588 -3.165 -8.293 1.00 0.00 N ATOM 978 CA ASP A 68 9.064 -3.964 -7.141 1.00 0.00 C ATOM 979 C ASP A 68 9.458 -3.131 -5.864 1.00 0.00 C ATOM 980 O ASP A 68 10.572 -2.513 -5.792 1.00 0.00 O ATOM 981 CB ASP A 68 10.065 -5.205 -7.520 1.00 0.00 C ATOM 982 CG ASP A 68 11.399 -4.868 -8.291 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.380 -4.866 -9.544 1.00 0.00 O ATOM 984 OD2 ASP A 68 12.430 -4.622 -7.623 1.00 0.00 O ATOM 0 H ASP A 68 9.330 -3.002 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 68 8.164 -4.483 -6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.333 -5.713 -6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.501 -5.917 -8.123 1.00 0.00 H new ATOM 989 N VAL A 69 8.438 -3.090 -4.910 1.00 0.00 N ATOM 990 CA VAL A 69 8.530 -2.424 -3.521 1.00 0.00 C ATOM 991 C VAL A 69 9.013 -3.391 -2.331 1.00 0.00 C ATOM 992 O VAL A 69 9.474 -2.901 -1.281 1.00 0.00 O ATOM 993 CB VAL A 69 7.282 -1.415 -3.099 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.187 -0.164 -3.936 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.871 -2.052 -2.872 1.00 0.00 C ATOM 0 H VAL A 69 7.527 -3.517 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 69 9.360 -1.734 -3.674 1.00 0.00 H new ATOM 0 HB VAL A 69 7.603 -1.135 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.346 0.439 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.108 0.410 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.038 -0.436 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.159 -1.272 -2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.542 -2.543 -3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.928 -2.785 -2.067 1.00 0.00 H new ATOM 1005 N ARG A 70 8.971 -4.793 -2.609 1.00 0.00 N ATOM 1006 CA ARG A 70 9.365 -5.999 -1.663 1.00 0.00 C ATOM 1007 C ARG A 70 10.759 -5.884 -0.798 1.00 0.00 C ATOM 1008 O ARG A 70 10.872 -6.483 0.311 1.00 0.00 O ATOM 1009 CB ARG A 70 9.180 -7.430 -2.408 1.00 0.00 C ATOM 1010 CG ARG A 70 9.961 -7.728 -3.785 1.00 0.00 C ATOM 1011 CD ARG A 70 9.622 -9.113 -4.423 1.00 0.00 C ATOM 1012 NE ARG A 70 10.212 -10.338 -3.687 1.00 0.00 N ATOM 1013 CZ ARG A 70 10.133 -11.714 -4.017 1.00 0.00 C ATOM 1014 NH1 ARG A 70 9.480 -12.208 -5.118 1.00 0.00 N ATOM 1015 NH2 ARG A 70 10.727 -12.584 -3.210 1.00 0.00 N ATOM 0 H ARG A 70 8.655 -5.129 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 70 8.632 -5.924 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.468 -8.205 -1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.116 -7.558 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.724 -6.942 -4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 70 11.034 -7.678 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.538 -9.221 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.982 -9.119 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 70 10.736 -10.124 -2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.011 -11.571 -5.761 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.464 -13.213 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.222 -12.255 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.689 -13.582 -3.419 1.00 0.00 H new ATOM 1029 N GLU A 71 11.775 -5.037 -1.373 1.00 0.00 N ATOM 1030 CA GLU A 71 13.131 -4.664 -0.830 1.00 0.00 C ATOM 1031 C GLU A 71 13.476 -3.156 -1.274 1.00 0.00 C ATOM 1032 O GLU A 71 14.247 -2.881 -2.281 1.00 0.00 O ATOM 1033 CB GLU A 71 14.292 -5.700 -1.223 1.00 0.00 C ATOM 1034 CG GLU A 71 14.434 -6.996 -0.354 1.00 0.00 C ATOM 1035 CD GLU A 71 15.575 -7.946 -0.793 1.00 0.00 C ATOM 1036 OE1 GLU A 71 15.319 -8.852 -1.633 1.00 0.00 O ATOM 1037 OE2 GLU A 71 16.716 -7.803 -0.273 1.00 0.00 O ATOM 0 H GLU A 71 11.616 -4.595 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 71 13.084 -4.718 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 71 14.134 -6.005 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.243 -5.168 -1.190 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.600 -6.705 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.492 -7.543 -0.385 1.00 0.00 H new ATOM 1044 N VAL A 72 12.747 -2.166 -0.568 1.00 0.00 N ATOM 1045 CA VAL A 72 12.876 -0.628 -0.727 1.00 0.00 C ATOM 1046 C VAL A 72 12.722 0.103 0.695 1.00 0.00 C ATOM 1047 O VAL A 72 12.085 -0.458 1.606 1.00 0.00 O ATOM 1048 CB VAL A 72 11.859 0.108 -1.935 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.961 -0.457 -3.352 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.346 0.447 -1.572 1.00 0.00 C ATOM 0 H VAL A 72 12.049 -2.420 0.131 1.00 0.00 H new ATOM 0 HA VAL A 72 13.883 -0.478 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 72 12.360 1.076 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.280 0.084 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.982 -0.345 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.693 -1.514 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.857 0.900 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.823 -0.470 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.320 1.143 -0.734 1.00 0.00 H new ATOM 1060 N THR A 73 13.243 1.418 0.774 1.00 0.00 N ATOM 1061 CA THR A 73 12.989 2.461 1.927 1.00 0.00 C ATOM 1062 C THR A 73 11.529 3.154 1.801 1.00 0.00 C ATOM 1063 O THR A 73 10.888 3.042 0.717 1.00 0.00 O ATOM 1064 CB THR A 73 14.135 3.613 2.015 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.573 4.106 0.732 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.323 3.221 2.874 1.00 0.00 C ATOM 0 H THR A 73 13.851 1.793 0.046 1.00 0.00 H new ATOM 0 HA THR A 73 13.032 1.883 2.850 1.00 0.00 H new ATOM 0 HB THR A 73 13.629 4.439 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.258 4.794 0.863 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.047 4.036 2.887 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.986 3.018 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.791 2.327 2.462 1.00 0.00 H new ATOM 1074 N HIS A 74 10.999 3.852 2.956 1.00 0.00 N ATOM 1075 CA HIS A 74 9.636 4.678 3.006 1.00 0.00 C ATOM 1076 C HIS A 74 9.466 5.764 1.830 1.00 0.00 C ATOM 1077 O HIS A 74 8.528 5.644 0.980 1.00 0.00 O ATOM 1078 CB HIS A 74 9.254 5.251 4.497 1.00 0.00 C ATOM 1079 CG HIS A 74 10.100 6.412 5.186 1.00 0.00 C ATOM 1080 ND1 HIS A 74 11.109 6.194 6.107 1.00 0.00 N ATOM 1081 CD2 HIS A 74 9.977 7.779 5.108 1.00 0.00 C ATOM 1082 CE1 HIS A 74 11.566 7.370 6.569 1.00 0.00 C ATOM 1083 NE2 HIS A 74 10.894 8.333 5.972 1.00 0.00 N ATOM 0 H HIS A 74 11.489 3.858 3.851 1.00 0.00 H new ATOM 0 HA HIS A 74 8.872 3.931 2.790 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.222 5.598 4.448 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.272 4.400 5.177 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.285 8.321 4.481 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.348 7.503 7.302 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.032 9.332 6.126 1.00 0.00 H new ATOM 1092 N SER A 75 10.575 6.678 1.704 1.00 0.00 N ATOM 1093 CA SER A 75 10.754 7.799 0.624 1.00 0.00 C ATOM 1094 C SER A 75 10.760 7.241 -0.888 1.00 0.00 C ATOM 1095 O SER A 75 10.096 7.829 -1.758 1.00 0.00 O ATOM 1096 CB SER A 75 12.017 8.695 0.924 1.00 0.00 C ATOM 1097 OG SER A 75 11.886 9.413 2.148 1.00 0.00 O ATOM 0 H SER A 75 11.361 6.647 2.353 1.00 0.00 H new ATOM 0 HA SER A 75 9.870 8.432 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.906 8.065 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.164 9.399 0.105 1.00 0.00 H new ATOM 0 HG SER A 75 12.689 9.954 2.298 1.00 0.00 H new ATOM 1103 N ALA A 76 11.395 5.949 -1.075 1.00 0.00 N ATOM 1104 CA ALA A 76 11.464 5.089 -2.346 1.00 0.00 C ATOM 1105 C ALA A 76 10.049 4.400 -2.767 1.00 0.00 C ATOM 1106 O ALA A 76 9.840 4.086 -3.983 1.00 0.00 O ATOM 1107 CB ALA A 76 12.565 4.026 -2.147 1.00 0.00 C ATOM 0 H ALA A 76 11.877 5.495 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 76 11.703 5.749 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.633 3.402 -3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.521 4.520 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.319 3.404 -1.286 1.00 0.00 H new ATOM 1113 N ALA A 77 9.064 4.230 -1.703 1.00 0.00 N ATOM 1114 CA ALA A 77 7.631 3.701 -1.848 1.00 0.00 C ATOM 1115 C ALA A 77 6.562 4.868 -2.121 1.00 0.00 C ATOM 1116 O ALA A 77 5.578 4.648 -2.874 1.00 0.00 O ATOM 1117 CB ALA A 77 7.254 2.849 -0.607 1.00 0.00 C ATOM 0 H ALA A 77 9.285 4.469 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 77 7.600 3.064 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.235 2.477 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.941 2.007 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.321 3.464 0.290 1.00 0.00 H new ATOM 1123 N VAL A 78 6.841 6.148 -1.507 1.00 0.00 N ATOM 1124 CA VAL A 78 6.037 7.508 -1.663 1.00 0.00 C ATOM 1125 C VAL A 78 6.341 8.197 -3.116 1.00 0.00 C ATOM 1126 O VAL A 78 5.408 8.690 -3.736 1.00 0.00 O ATOM 1127 CB VAL A 78 6.317 8.556 -0.351 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.519 9.889 -0.360 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.937 7.918 0.961 1.00 0.00 C ATOM 0 H VAL A 78 7.641 6.260 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 78 4.971 7.284 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 78 7.382 8.763 -0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.778 10.474 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.767 10.456 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.451 9.673 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.130 8.617 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.878 7.660 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.528 7.015 1.111 1.00 0.00 H new ATOM 1139 N GLU A 79 7.689 8.146 -3.605 1.00 0.00 N ATOM 1140 CA GLU A 79 8.239 8.636 -5.015 1.00 0.00 C ATOM 1141 C GLU A 79 7.681 7.806 -6.277 1.00 0.00 C ATOM 1142 O GLU A 79 7.760 8.265 -7.436 1.00 0.00 O ATOM 1143 CB GLU A 79 9.806 8.674 -5.052 1.00 0.00 C ATOM 1144 CG GLU A 79 10.461 9.855 -4.275 1.00 0.00 C ATOM 1145 CD GLU A 79 12.004 9.933 -4.373 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.517 10.616 -5.302 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.698 9.340 -3.502 1.00 0.00 O ATOM 0 H GLU A 79 8.437 7.760 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 79 7.850 9.649 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.186 7.737 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.128 8.722 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.042 10.790 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.183 9.776 -3.224 1.00 0.00 H new ATOM 1154 N ALA A 80 7.098 6.552 -5.966 1.00 0.00 N ATOM 1155 CA ALA A 80 6.249 5.681 -6.876 1.00 0.00 C ATOM 1156 C ALA A 80 4.729 6.251 -7.011 1.00 0.00 C ATOM 1157 O ALA A 80 4.088 6.071 -8.074 1.00 0.00 O ATOM 1158 CB ALA A 80 6.303 4.202 -6.404 1.00 0.00 C ATOM 0 H ALA A 80 7.222 6.128 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 80 6.666 5.716 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.691 3.587 -7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.334 3.849 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.922 4.131 -5.385 1.00 0.00 H new ATOM 1164 N LEU A 81 4.211 7.014 -5.879 1.00 0.00 N ATOM 1165 CA LEU A 81 2.841 7.698 -5.802 1.00 0.00 C ATOM 1166 C LEU A 81 2.829 9.204 -6.294 1.00 0.00 C ATOM 1167 O LEU A 81 1.980 9.559 -7.128 1.00 0.00 O ATOM 1168 CB LEU A 81 2.146 7.513 -4.361 1.00 0.00 C ATOM 1169 CG LEU A 81 1.926 6.056 -3.848 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.395 5.925 -2.447 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.494 5.548 -4.023 1.00 0.00 C ATOM 0 H LEU A 81 4.757 7.145 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 81 2.223 7.169 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.753 8.041 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.176 8.009 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 81 2.531 5.407 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.235 4.903 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.458 6.163 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.838 6.613 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.420 4.529 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.190 6.192 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.230 5.561 -5.080 1.00 0.00 H new ATOM 1183 N LYS A 82 3.876 10.047 -5.821 1.00 0.00 N ATOM 1184 CA LYS A 82 4.089 11.551 -6.114 1.00 0.00 C ATOM 1185 C LYS A 82 4.647 11.866 -7.588 1.00 0.00 C ATOM 1186 O LYS A 82 4.258 12.918 -8.183 1.00 0.00 O ATOM 1187 CB LYS A 82 5.011 12.231 -5.000 1.00 0.00 C ATOM 1188 CG LYS A 82 4.367 12.522 -3.599 1.00 0.00 C ATOM 1189 CD LYS A 82 5.407 13.215 -2.658 1.00 0.00 C ATOM 1190 CE LYS A 82 4.843 13.685 -1.276 1.00 0.00 C ATOM 1191 NZ LYS A 82 4.056 14.975 -1.326 1.00 0.00 N ATOM 0 H LYS A 82 4.606 9.679 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 82 3.094 11.995 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.878 11.589 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.382 13.174 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.492 13.161 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.023 11.591 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.230 12.523 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.823 14.079 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.204 12.900 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.674 13.808 -0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.417 15.630 -0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.158 15.407 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.052 14.776 -1.143 1.00 0.00 H new ATOM 1205 N GLU A 83 5.532 10.887 -8.165 1.00 0.00 N ATOM 1206 CA GLU A 83 6.226 11.023 -9.586 1.00 0.00 C ATOM 1207 C GLU A 83 5.494 10.469 -10.870 1.00 0.00 C ATOM 1208 O GLU A 83 5.833 10.932 -12.030 1.00 0.00 O ATOM 1209 CB GLU A 83 7.707 10.606 -9.572 1.00 0.00 C ATOM 1210 CG GLU A 83 8.587 11.639 -8.891 1.00 0.00 C ATOM 1211 CD GLU A 83 10.117 11.384 -8.958 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.772 11.874 -9.921 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.664 10.723 -8.031 1.00 0.00 O ATOM 0 H GLU A 83 5.776 10.021 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 83 6.132 12.100 -9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.809 9.650 -9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.050 10.457 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.382 12.612 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.295 11.701 -7.843 1.00 0.00 H new ATOM 1220 N ALA A 84 4.420 9.527 -10.692 1.00 0.00 N ATOM 1221 CA ALA A 84 3.534 8.935 -11.882 1.00 0.00 C ATOM 1222 C ALA A 84 2.721 10.052 -12.747 1.00 0.00 C ATOM 1223 O ALA A 84 2.399 9.826 -13.964 1.00 0.00 O ATOM 1224 CB ALA A 84 2.631 7.794 -11.402 1.00 0.00 C ATOM 0 H ALA A 84 4.150 9.169 -9.776 1.00 0.00 H new ATOM 0 HA ALA A 84 4.250 8.517 -12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.044 7.418 -12.240 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.245 6.989 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.960 8.163 -10.626 1.00 0.00 H new ATOM 1230 N GLY A 85 2.459 11.254 -12.036 1.00 0.00 N ATOM 1231 CA GLY A 85 2.009 12.554 -12.634 1.00 0.00 C ATOM 1232 C GLY A 85 0.615 13.069 -12.315 1.00 0.00 C ATOM 1233 O GLY A 85 0.451 14.305 -12.179 1.00 0.00 O ATOM 0 H GLY A 85 2.566 11.311 -11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.721 13.321 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.086 12.462 -13.717 1.00 0.00 H new ATOM 1237 N SER A 86 -0.416 12.093 -12.160 1.00 0.00 N ATOM 1238 CA SER A 86 -1.949 12.319 -11.928 1.00 0.00 C ATOM 1239 C SER A 86 -2.711 10.929 -11.740 1.00 0.00 C ATOM 1240 O SER A 86 -3.737 10.905 -11.040 1.00 0.00 O ATOM 1241 CB SER A 86 -2.639 13.174 -13.136 1.00 0.00 C ATOM 1242 OG SER A 86 -3.982 13.613 -12.859 1.00 0.00 O ATOM 0 H SER A 86 -0.193 11.098 -12.195 1.00 0.00 H new ATOM 0 HA SER A 86 -2.042 12.903 -11.013 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.020 14.046 -13.347 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.648 12.563 -14.039 1.00 0.00 H new ATOM 0 HG SER A 86 -4.326 14.118 -13.626 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.178 9.773 -12.417 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.811 8.376 -12.443 1.00 0.00 C ATOM 1250 C ILE A 87 -1.764 7.325 -11.902 1.00 0.00 C ATOM 1251 O ILE A 87 -0.674 7.090 -12.516 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.532 7.957 -13.958 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.493 9.138 -14.635 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -4.269 6.527 -14.012 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.759 9.734 -13.858 1.00 0.00 C ATOM 0 H ILE A 87 -1.306 9.815 -12.945 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.669 8.372 -11.770 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.645 7.867 -14.585 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.842 9.979 -14.871 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.860 8.743 -15.582 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.684 6.369 -15.007 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.550 5.739 -13.789 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.073 6.504 -13.276 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.243 10.489 -14.477 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.466 8.932 -13.645 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.431 10.187 -12.922 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.191 6.724 -10.729 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.436 5.713 -9.884 1.00 0.00 C ATOM 1269 C VAL A 88 -2.199 4.310 -9.738 1.00 0.00 C ATOM 1270 O VAL A 88 -3.378 4.258 -9.272 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.911 6.380 -8.485 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.479 6.923 -8.524 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.765 6.729 -7.212 1.00 0.00 C ATOM 0 H VAL A 88 -3.105 6.939 -10.332 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.531 5.437 -10.425 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.271 5.425 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.733 7.343 -7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.176 6.121 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.544 7.702 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.119 7.163 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.542 7.445 -7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.227 5.821 -6.824 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.454 3.205 -10.176 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.914 1.724 -10.209 1.00 0.00 C ATOM 1285 C ARG A 89 -1.204 0.777 -9.140 1.00 0.00 C ATOM 1286 O ARG A 89 -0.037 0.367 -9.314 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.051 1.078 -11.729 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.862 1.125 -12.722 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.334 0.527 -14.014 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.288 0.565 -15.118 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.406 0.225 -16.497 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.562 -0.225 -17.087 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.670 0.348 -17.265 1.00 0.00 N ATOM 0 H ARG A 89 -0.501 3.314 -10.523 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.944 1.769 -9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.326 0.030 -11.608 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.892 1.574 -12.213 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.528 2.152 -12.873 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.011 0.568 -12.329 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.630 -0.508 -13.840 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.224 1.061 -14.349 1.00 0.00 H new ATOM 0 HE ARG A 89 0.637 0.881 -14.828 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.410 -0.334 -16.530 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.573 -0.450 -18.082 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.548 0.678 -16.864 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.619 0.113 -18.256 1.00 0.00 H new ATOM 1307 N LEU A 90 -1.998 0.456 -8.031 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.612 -0.396 -6.818 1.00 0.00 C ATOM 1309 C LEU A 90 -2.153 -1.898 -6.890 1.00 0.00 C ATOM 1310 O LEU A 90 -3.315 -2.145 -7.353 1.00 0.00 O ATOM 1311 CB LEU A 90 -1.978 0.381 -5.397 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.450 0.880 -5.048 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.324 -0.216 -4.412 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.357 2.082 -4.156 1.00 0.00 C ATOM 0 H LEU A 90 -2.957 0.797 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.528 -0.509 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.676 -0.286 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.331 1.257 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.945 1.145 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.314 0.187 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.415 -1.055 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.863 -0.557 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.360 2.432 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.832 1.815 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.812 2.874 -4.669 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.252 -2.870 -6.401 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.476 -4.362 -6.347 1.00 0.00 C ATOM 1328 C TYR A 91 -1.397 -4.904 -4.874 1.00 0.00 C ATOM 1329 O TYR A 91 -0.256 -4.967 -4.255 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.468 -5.144 -7.380 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.778 -6.657 -7.778 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.015 -7.062 -8.319 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.184 -7.627 -7.589 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.269 -8.342 -8.646 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.050 -8.939 -7.914 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.283 -9.305 -8.449 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.520 -10.616 -8.795 1.00 0.00 O ATOM 0 H TYR A 91 -0.338 -2.608 -6.031 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.490 -4.570 -6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.430 -4.564 -8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.531 -5.118 -6.945 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.784 -6.320 -8.476 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.142 -7.348 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.228 -8.620 -9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.717 -9.683 -7.756 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.728 -11.156 -8.593 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.637 -5.368 -4.393 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.934 -5.886 -2.939 1.00 0.00 C ATOM 1349 C VAL A 92 -3.100 -7.527 -2.794 1.00 0.00 C ATOM 1350 O VAL A 92 -3.452 -8.237 -3.796 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.211 -5.065 -2.191 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.982 -3.548 -2.028 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.620 -5.349 -2.817 1.00 0.00 C ATOM 0 H VAL A 92 -3.464 -5.399 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.020 -5.644 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.217 -5.496 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.848 -3.100 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.094 -3.377 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.842 -3.094 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.379 -4.783 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.620 -5.048 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.842 -6.414 -2.745 1.00 0.00 H new ATOM 1363 N MET A 93 -2.921 -8.015 -1.463 1.00 0.00 N ATOM 1364 CA MET A 93 -2.903 -9.502 -0.982 1.00 0.00 C ATOM 1365 C MET A 93 -3.920 -9.812 0.223 1.00 0.00 C ATOM 1366 O MET A 93 -3.772 -9.248 1.354 1.00 0.00 O ATOM 1367 CB MET A 93 -1.377 -10.111 -0.737 1.00 0.00 C ATOM 1368 CG MET A 93 -0.392 -9.402 0.287 1.00 0.00 C ATOM 1369 SD MET A 93 1.206 -10.232 0.395 1.00 0.00 S ATOM 1370 CE MET A 93 2.049 -9.199 1.591 1.00 0.00 C ATOM 0 H MET A 93 -2.783 -7.370 -0.685 1.00 0.00 H new ATOM 0 HA MET A 93 -3.297 -10.065 -1.828 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.489 -11.146 -0.414 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.877 -10.132 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.240 -8.366 -0.018 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.854 -9.380 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.053 -9.586 1.763 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.114 -8.180 1.210 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.494 -9.201 2.529 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.959 -10.741 -0.080 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.073 -11.214 0.856 1.00 0.00 C ATOM 1382 C ARG A 94 -6.166 -12.839 0.825 1.00 0.00 C ATOM 1383 O ARG A 94 -5.699 -13.497 -0.143 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.478 -10.483 0.443 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.482 -10.207 1.605 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.717 -9.444 1.124 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.677 -9.129 2.264 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.793 -8.248 2.299 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.209 -7.484 1.237 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -12.478 -8.153 3.432 1.00 0.00 N ATOM 0 H ARG A 94 -5.027 -11.175 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.854 -10.931 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.241 -9.534 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.979 -11.101 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.791 -11.153 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.983 -9.634 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.405 -8.515 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.235 -10.034 0.367 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.491 -9.626 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.707 -7.527 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.020 -6.873 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.199 -8.703 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.284 -7.530 3.490 1.00 0.00 H new ATOM 1404 N ARG A 95 -6.749 -13.427 1.961 1.00 0.00 N ATOM 1405 CA ARG A 95 -7.020 -14.934 2.205 1.00 0.00 C ATOM 1406 C ARG A 95 -8.531 -15.368 1.944 1.00 0.00 C ATOM 1407 O ARG A 95 -9.488 -14.567 2.185 1.00 0.00 O ATOM 1408 CB ARG A 95 -6.500 -15.425 3.637 1.00 0.00 C ATOM 1409 CG ARG A 95 -5.000 -15.769 3.708 1.00 0.00 C ATOM 1410 CD ARG A 95 -4.620 -16.319 5.081 1.00 0.00 C ATOM 1411 NE ARG A 95 -3.142 -16.674 5.176 1.00 0.00 N ATOM 1412 CZ ARG A 95 -2.437 -17.364 6.201 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -3.020 -17.870 7.337 1.00 0.00 N ATOM 1414 NH2 ARG A 95 -1.129 -17.535 6.050 1.00 0.00 N ATOM 0 H ARG A 95 -7.051 -12.857 2.751 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.429 -15.452 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.713 -14.646 4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.072 -16.305 3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.757 -16.503 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.410 -14.878 3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.863 -15.581 5.845 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.218 -17.205 5.292 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.572 -16.372 4.386 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.023 -17.761 7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.450 -18.354 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.660 -17.176 5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.593 -18.025 6.766 1.00 0.00 H new ATOM 1428 N LYS A 96 -8.699 -16.694 1.428 1.00 0.00 N ATOM 1429 CA LYS A 96 -10.040 -17.420 1.050 1.00 0.00 C ATOM 1430 C LYS A 96 -11.077 -17.701 2.312 1.00 0.00 C ATOM 1431 O LYS A 96 -10.621 -18.325 3.331 1.00 0.00 O ATOM 1432 CB LYS A 96 -9.792 -18.772 0.236 1.00 0.00 C ATOM 1433 CG LYS A 96 -9.373 -18.642 -1.251 1.00 0.00 C ATOM 1434 CD LYS A 96 -9.112 -20.041 -1.898 1.00 0.00 C ATOM 1435 CE LYS A 96 -8.720 -20.000 -3.415 1.00 0.00 C ATOM 1436 NZ LYS A 96 -9.868 -19.695 -4.362 1.00 0.00 N ATOM 0 H LYS A 96 -7.891 -17.294 1.262 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.541 -16.696 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.021 -19.341 0.755 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.707 -19.363 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.155 -18.124 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.472 -18.033 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.316 -20.539 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.008 -20.651 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.943 -19.249 -3.555 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.287 -20.962 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.518 -19.688 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.603 -20.424 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.270 -18.764 -4.132 1.00 0.00 H new ATOM 1450 N PRO A 97 -12.531 -17.165 2.293 1.00 0.00 N ATOM 1451 CA PRO A 97 -13.575 -17.469 3.404 1.00 0.00 C ATOM 1452 C PRO A 97 -14.235 -19.011 3.411 1.00 0.00 C ATOM 1453 O PRO A 97 -14.461 -19.557 2.284 1.00 0.00 O ATOM 1454 CB PRO A 97 -14.691 -16.372 3.180 1.00 0.00 C ATOM 1455 CG PRO A 97 -14.125 -15.383 2.186 1.00 0.00 C ATOM 1456 CD PRO A 97 -13.190 -16.169 1.298 1.00 0.00 C ATOM 0 HA PRO A 97 -13.086 -17.435 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.608 -16.823 2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.944 -15.878 4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.920 -14.920 1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.594 -14.579 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -13.726 -16.686 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.451 -15.527 0.819 1.00 0.00 H new ATOM 1464 N PRO A 98 -14.524 -19.767 4.730 1.00 0.00 N ATOM 1465 CA PRO A 98 -15.211 -21.174 4.797 1.00 0.00 C ATOM 1466 C PRO A 98 -16.796 -21.264 4.387 1.00 0.00 C ATOM 1467 O PRO A 98 -17.222 -22.309 3.813 1.00 0.00 O ATOM 1468 CB PRO A 98 -14.962 -21.637 6.290 1.00 0.00 C ATOM 1469 CG PRO A 98 -13.896 -20.720 6.835 1.00 0.00 C ATOM 1470 CD PRO A 98 -14.123 -19.379 6.177 1.00 0.00 C ATOM 0 HA PRO A 98 -14.776 -21.820 4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -15.877 -21.566 6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -14.639 -22.677 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -13.968 -20.639 7.920 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -12.900 -21.102 6.609 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -14.909 -18.812 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.224 -18.762 6.196 1.00 0.00 H new ATOM 1478 N ALA A 99 -17.614 -20.107 4.689 1.00 0.00 N ATOM 1479 CA ALA A 99 -19.104 -19.951 4.407 1.00 0.00 C ATOM 1480 C ALA A 99 -19.403 -18.897 3.255 1.00 0.00 C ATOM 1481 O ALA A 99 -19.168 -17.652 3.441 1.00 0.00 O ATOM 1482 CB ALA A 99 -19.922 -19.682 5.728 1.00 0.00 C ATOM 1483 OXT ALA A 99 -19.865 -19.340 2.180 1.00 0.00 O ATOM 0 H ALA A 99 -17.219 -19.279 5.135 1.00 0.00 H new ATOM 0 HA ALA A 99 -19.457 -20.906 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -20.980 -19.576 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -19.789 -20.518 6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -19.564 -18.766 6.197 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 9.803 -2.616 18.350 1.00 0.00 N ATOM 1491 CA VAL B 1 8.715 -3.511 17.798 1.00 0.00 C ATOM 1492 C VAL B 1 7.814 -2.781 16.710 1.00 0.00 C ATOM 1493 O VAL B 1 7.656 -3.329 15.600 1.00 0.00 O ATOM 1494 CB VAL B 1 7.952 -4.365 18.982 1.00 0.00 C ATOM 1495 CG1 VAL B 1 7.017 -3.629 20.034 1.00 0.00 C ATOM 1496 CG2 VAL B 1 7.466 -5.791 18.595 1.00 0.00 C ATOM 0 H1 VAL B 1 10.381 -3.151 19.029 1.00 0.00 H new ATOM 0 H2 VAL B 1 10.405 -2.281 17.571 1.00 0.00 H new ATOM 0 H3 VAL B 1 9.371 -1.800 18.830 1.00 0.00 H new ATOM 0 HA VAL B 1 9.176 -4.301 17.205 1.00 0.00 H new ATOM 0 HB VAL B 1 8.840 -4.497 19.601 1.00 0.00 H new ATOM 0 HG11 VAL B 1 6.607 -4.360 20.731 1.00 0.00 H new ATOM 0 HG12 VAL B 1 7.600 -2.890 20.584 1.00 0.00 H new ATOM 0 HG13 VAL B 1 6.201 -3.131 19.510 1.00 0.00 H new ATOM 0 HG21 VAL B 1 6.980 -6.255 19.453 1.00 0.00 H new ATOM 0 HG22 VAL B 1 6.757 -5.722 17.770 1.00 0.00 H new ATOM 0 HG23 VAL B 1 8.320 -6.396 18.291 1.00 0.00 H new ATOM 1508 N VAL B 2 7.208 -1.559 17.106 1.00 0.00 N ATOM 1509 CA VAL B 2 6.535 -0.571 16.144 1.00 0.00 C ATOM 1510 C VAL B 2 7.449 0.696 15.858 1.00 0.00 C ATOM 1511 O VAL B 2 7.167 1.864 16.264 1.00 0.00 O ATOM 1512 CB VAL B 2 4.889 -0.320 16.256 1.00 0.00 C ATOM 1513 CG1 VAL B 2 4.113 -1.547 15.742 1.00 0.00 C ATOM 1514 CG2 VAL B 2 4.363 0.071 17.691 1.00 0.00 C ATOM 0 H VAL B 2 7.180 -1.251 18.078 1.00 0.00 H new ATOM 0 HA VAL B 2 6.484 -1.126 15.207 1.00 0.00 H new ATOM 0 HB VAL B 2 4.704 0.549 15.624 1.00 0.00 H new ATOM 0 HG11 VAL B 2 3.042 -1.361 15.824 1.00 0.00 H new ATOM 0 HG12 VAL B 2 4.370 -1.729 14.699 1.00 0.00 H new ATOM 0 HG13 VAL B 2 4.377 -2.420 16.339 1.00 0.00 H new ATOM 0 HG21 VAL B 2 3.283 0.212 17.657 1.00 0.00 H new ATOM 0 HG22 VAL B 2 4.603 -0.725 18.396 1.00 0.00 H new ATOM 0 HG23 VAL B 2 4.839 0.997 18.013 1.00 0.00 H new ATOM 1524 N SER B 3 8.665 0.314 15.232 1.00 0.00 N ATOM 1525 CA SER B 3 9.892 1.181 14.808 1.00 0.00 C ATOM 1526 C SER B 3 9.733 2.451 13.786 1.00 0.00 C ATOM 1527 O SER B 3 10.771 3.123 13.404 1.00 0.00 O ATOM 1528 CB SER B 3 11.105 0.256 14.507 1.00 0.00 C ATOM 1529 OG SER B 3 11.570 -0.424 15.675 1.00 0.00 O ATOM 0 H SER B 3 8.824 -0.666 14.996 1.00 0.00 H new ATOM 0 HA SER B 3 10.059 1.791 15.696 1.00 0.00 H new ATOM 0 HB2 SER B 3 10.822 -0.476 13.751 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.917 0.850 14.087 1.00 0.00 H new ATOM 0 HG SER B 3 12.331 -0.995 15.440 1.00 0.00 H new ATOM 1535 N GLU B 4 8.405 2.833 13.464 1.00 0.00 N ATOM 1536 CA GLU B 4 7.997 3.984 12.548 1.00 0.00 C ATOM 1537 C GLU B 4 7.341 5.272 13.253 1.00 0.00 C ATOM 1538 O GLU B 4 6.777 5.181 14.380 1.00 0.00 O ATOM 1539 CB GLU B 4 7.158 3.492 11.229 1.00 0.00 C ATOM 1540 CG GLU B 4 5.838 2.590 11.265 1.00 0.00 C ATOM 1541 CD GLU B 4 4.760 2.739 12.399 1.00 0.00 C ATOM 1542 OE1 GLU B 4 5.025 2.301 13.550 1.00 0.00 O ATOM 1543 OE2 GLU B 4 3.667 3.229 12.111 1.00 0.00 O ATOM 0 H GLU B 4 7.599 2.337 13.844 1.00 0.00 H new ATOM 0 HA GLU B 4 8.961 4.358 12.203 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.885 4.400 10.692 1.00 0.00 H new ATOM 0 HB3 GLU B 4 7.871 2.954 10.604 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.322 2.749 10.318 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.167 1.551 11.278 1.00 0.00 H new ATOM 1550 N ARG B 5 7.464 6.473 12.500 1.00 0.00 N ATOM 1551 CA ARG B 5 6.812 7.843 12.766 1.00 0.00 C ATOM 1552 C ARG B 5 5.323 7.998 12.097 1.00 0.00 C ATOM 1553 O ARG B 5 4.452 8.706 12.660 1.00 0.00 O ATOM 1554 CB ARG B 5 7.837 9.085 12.412 1.00 0.00 C ATOM 1555 CG ARG B 5 8.497 9.178 10.934 1.00 0.00 C ATOM 1556 CD ARG B 5 9.560 10.308 10.764 1.00 0.00 C ATOM 1557 NE ARG B 5 8.985 11.739 10.707 1.00 0.00 N ATOM 1558 CZ ARG B 5 9.660 12.980 10.591 1.00 0.00 C ATOM 1559 NH1 ARG B 5 11.025 13.113 10.512 1.00 0.00 N ATOM 1560 NH2 ARG B 5 8.930 14.087 10.557 1.00 0.00 N ATOM 0 H ARG B 5 8.045 6.499 11.662 1.00 0.00 H new ATOM 0 HA ARG B 5 6.627 7.899 13.839 1.00 0.00 H new ATOM 0 HB2 ARG B 5 7.296 10.015 12.587 1.00 0.00 H new ATOM 0 HB3 ARG B 5 8.654 9.050 13.133 1.00 0.00 H new ATOM 0 HG2 ARG B 5 8.963 8.221 10.698 1.00 0.00 H new ATOM 0 HG3 ARG B 5 7.702 9.333 10.205 1.00 0.00 H new ATOM 0 HD2 ARG B 5 10.267 10.249 11.592 1.00 0.00 H new ATOM 0 HD3 ARG B 5 10.123 10.122 9.850 1.00 0.00 H new ATOM 0 HE ARG B 5 7.968 11.801 10.761 1.00 0.00 H new ATOM 0 HH11 ARG B 5 11.620 12.285 10.536 1.00 0.00 H new ATOM 0 HH12 ARG B 5 11.443 14.040 10.430 1.00 0.00 H new ATOM 0 HH21 ARG B 5 7.913 14.029 10.614 1.00 0.00 H new ATOM 0 HH22 ARG B 5 9.385 14.996 10.474 1.00 0.00 H new ATOM 1574 N ILE B 6 5.093 7.247 10.866 1.00 0.00 N ATOM 1575 CA ILE B 6 3.818 7.157 9.945 1.00 0.00 C ATOM 1576 C ILE B 6 3.270 8.566 9.373 1.00 0.00 C ATOM 1577 O ILE B 6 2.279 9.160 9.891 1.00 0.00 O ATOM 1578 CB ILE B 6 2.680 5.928 10.379 1.00 0.00 C ATOM 1579 CG1 ILE B 6 1.539 5.487 9.305 1.00 0.00 C ATOM 1580 CG2 ILE B 6 1.960 6.157 11.744 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.925 4.887 7.936 1.00 0.00 C ATOM 0 H ILE B 6 5.841 6.666 10.488 1.00 0.00 H new ATOM 0 HA ILE B 6 4.182 6.732 9.009 1.00 0.00 H new ATOM 0 HB ILE B 6 3.390 5.103 10.429 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.896 4.760 9.802 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.929 6.369 9.107 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.267 5.337 11.932 1.00 0.00 H new ATOM 0 HG22 ILE B 6 2.700 6.197 12.543 1.00 0.00 H new ATOM 0 HG23 ILE B 6 1.410 7.097 11.712 1.00 0.00 H new ATOM 0 HD11 ILE B 6 1.021 4.661 7.370 1.00 0.00 H new ATOM 0 HD12 ILE B 6 2.530 5.605 7.382 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.496 3.971 8.088 1.00 0.00 H new ATOM 1593 N SER B 7 4.049 9.043 8.324 1.00 0.00 N ATOM 1594 CA SER B 7 3.901 10.441 7.597 1.00 0.00 C ATOM 1595 C SER B 7 3.693 10.360 5.971 1.00 0.00 C ATOM 1596 O SER B 7 3.786 11.415 5.233 1.00 0.00 O ATOM 1597 CB SER B 7 5.150 11.382 7.987 1.00 0.00 C ATOM 1598 OG SER B 7 5.166 11.702 9.376 1.00 0.00 O ATOM 0 H SER B 7 4.811 8.488 7.934 1.00 0.00 H new ATOM 0 HA SER B 7 2.971 10.878 7.960 1.00 0.00 H new ATOM 0 HB2 SER B 7 6.080 10.879 7.720 1.00 0.00 H new ATOM 0 HB3 SER B 7 5.107 12.302 7.404 1.00 0.00 H new ATOM 0 HG SER B 7 5.939 12.272 9.572 1.00 0.00 H new ATOM 1604 N SER B 8 3.255 9.110 5.462 1.00 0.00 N ATOM 1605 CA SER B 8 3.180 8.689 3.973 1.00 0.00 C ATOM 1606 C SER B 8 1.732 8.913 3.233 1.00 0.00 C ATOM 1607 O SER B 8 0.794 9.466 3.863 1.00 0.00 O ATOM 1608 CB SER B 8 3.680 7.208 3.865 1.00 0.00 C ATOM 1609 OG SER B 8 5.025 7.038 4.332 1.00 0.00 O ATOM 0 H SER B 8 2.943 8.365 6.085 1.00 0.00 H new ATOM 0 HA SER B 8 3.829 9.366 3.417 1.00 0.00 H new ATOM 0 HB2 SER B 8 3.016 6.563 4.441 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.618 6.884 2.826 1.00 0.00 H new ATOM 0 HG SER B 8 5.160 6.108 4.609 1.00 0.00 H new ATOM 1615 N VAL B 9 1.624 8.494 1.838 1.00 0.00 N ATOM 1616 CA VAL B 9 0.370 8.615 0.920 1.00 0.00 C ATOM 1617 C VAL B 9 -0.227 7.105 0.695 1.00 0.00 C ATOM 1618 O VAL B 9 -0.095 6.514 -0.398 1.00 0.00 O ATOM 1619 CB VAL B 9 0.691 9.472 -0.570 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.606 9.972 -1.283 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.573 10.749 -0.405 1.00 0.00 C ATOM 1622 OXT VAL B 9 -0.768 6.565 1.652 1.00 0.00 O ATOM 0 H VAL B 9 2.413 8.070 1.350 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.386 9.232 1.406 1.00 0.00 H new ATOM 0 HB VAL B 9 1.214 8.716 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.338 10.496 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.241 9.119 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -1.146 10.651 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL B 9 1.721 11.217 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.075 11.451 0.263 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.540 10.472 0.015 1.00 0.00 H new TER 1632 VAL B 9