USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 620 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0814 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 6 MET CE :methyl 137:sc= -1.11 (180deg=-2.59) USER MOD Single : A 10 TYR OH : rot 90:sc= -0.821 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.3) USER MOD Single : A 51 THR OG1 : rot 118:sc= 0.0693 USER MOD Single : A 52 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.017) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc=-0.00827 F(o=-3!,f=-0.0083) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 178:sc= 0 (180deg=-0.0146) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.625 -31.186 9.390 1.00 0.00 N ATOM 2 CA MET A 1 -4.359 -31.337 8.146 1.00 0.00 C ATOM 3 C MET A 1 -4.639 -29.976 7.506 1.00 0.00 C ATOM 4 O MET A 1 -4.550 -28.944 8.170 1.00 0.00 O ATOM 5 CB MET A 1 -5.683 -32.054 8.417 1.00 0.00 C ATOM 6 CG MET A 1 -6.358 -32.474 7.110 1.00 0.00 C ATOM 7 SD MET A 1 -7.793 -33.479 7.458 1.00 0.00 S ATOM 8 CE MET A 1 -8.239 -33.966 5.800 1.00 0.00 C ATOM 0 H1 MET A 1 -2.649 -31.521 9.260 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.613 -30.184 9.667 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.087 -31.745 10.136 1.00 0.00 H new ATOM 0 HA MET A 1 -3.751 -31.924 7.458 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.504 -32.933 9.037 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.348 -31.398 8.979 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.651 -31.591 6.543 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.655 -33.031 6.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.123 -34.603 5.833 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.454 -33.078 5.205 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.413 -34.515 5.347 1.00 0.00 H new ATOM 18 N GLU A 2 -4.970 -30.017 6.223 1.00 0.00 N ATOM 19 CA GLU A 2 -5.263 -28.801 5.486 1.00 0.00 C ATOM 20 C GLU A 2 -4.015 -27.917 5.402 1.00 0.00 C ATOM 21 O GLU A 2 -4.100 -26.753 5.015 1.00 0.00 O ATOM 22 CB GLU A 2 -6.430 -28.042 6.121 1.00 0.00 C ATOM 23 CG GLU A 2 -6.977 -26.978 5.167 1.00 0.00 C ATOM 24 CD GLU A 2 -7.465 -25.750 5.937 1.00 0.00 C ATOM 25 OE1 GLU A 2 -8.426 -25.846 6.714 1.00 0.00 O ATOM 26 OE2 GLU A 2 -6.807 -24.664 5.707 1.00 0.00 O ATOM 0 H GLU A 2 -5.041 -30.875 5.676 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.559 -29.076 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.223 -28.742 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.101 -27.570 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.200 -26.684 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.797 -27.395 4.583 1.00 0.00 H new ATOM 34 N ASN A 3 -2.887 -28.506 5.771 1.00 0.00 N ATOM 35 CA ASN A 3 -1.625 -27.787 5.743 1.00 0.00 C ATOM 36 C ASN A 3 -0.564 -28.656 5.064 1.00 0.00 C ATOM 37 O ASN A 3 0.629 -28.496 5.317 1.00 0.00 O ATOM 38 CB ASN A 3 -1.140 -27.470 7.159 1.00 0.00 C ATOM 39 CG ASN A 3 -0.823 -25.980 7.309 1.00 0.00 C ATOM 40 OD1 ASN A 3 0.300 -25.537 7.132 1.00 0.00 O ATOM 41 ND2 ASN A 3 -1.872 -25.235 7.643 1.00 0.00 N ATOM 0 H ASN A 3 -2.821 -29.472 6.091 1.00 0.00 H new ATOM 0 HA ASN A 3 -1.779 -26.856 5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.904 -27.758 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.251 -28.059 7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.764 -24.228 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -2.785 -25.670 7.776 1.00 0.00 H new ATOM 48 N LEU A 4 -1.038 -29.556 4.215 1.00 0.00 N ATOM 49 CA LEU A 4 -0.145 -30.450 3.497 1.00 0.00 C ATOM 50 C LEU A 4 -0.175 -30.105 2.006 1.00 0.00 C ATOM 51 O LEU A 4 0.873 -29.959 1.379 1.00 0.00 O ATOM 52 CB LEU A 4 -0.493 -31.910 3.798 1.00 0.00 C ATOM 53 CG LEU A 4 0.666 -32.906 3.716 1.00 0.00 C ATOM 54 CD1 LEU A 4 1.445 -32.949 5.033 1.00 0.00 C ATOM 55 CD2 LEU A 4 0.170 -34.291 3.299 1.00 0.00 C ATOM 0 H LEU A 4 -2.028 -29.685 4.008 1.00 0.00 H new ATOM 0 HA LEU A 4 0.882 -30.315 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.921 -31.962 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.270 -32.229 3.103 1.00 0.00 H new ATOM 0 HG LEU A 4 1.356 -32.565 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.263 -33.664 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.849 -31.960 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.779 -33.254 5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.013 -34.980 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.552 -34.654 4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -0.306 -34.228 2.320 1.00 0.00 H new ATOM 67 N ASN A 5 -1.386 -29.984 1.484 1.00 0.00 N ATOM 68 CA ASN A 5 -1.566 -29.660 0.079 1.00 0.00 C ATOM 69 C ASN A 5 -2.023 -28.206 -0.050 1.00 0.00 C ATOM 70 O ASN A 5 -1.308 -27.373 -0.606 1.00 0.00 O ATOM 71 CB ASN A 5 -2.635 -30.549 -0.560 1.00 0.00 C ATOM 72 CG ASN A 5 -2.180 -31.056 -1.930 1.00 0.00 C ATOM 73 OD1 ASN A 5 -1.142 -31.679 -2.077 1.00 0.00 O ATOM 74 ND2 ASN A 5 -3.013 -30.753 -2.921 1.00 0.00 N ATOM 0 H ASN A 5 -2.253 -30.104 2.008 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.614 -29.820 -0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.847 -31.396 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.564 -29.988 -0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.799 -31.045 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.866 -30.228 -2.728 1.00 0.00 H new ATOM 81 N MET A 6 -3.210 -27.943 0.476 1.00 0.00 N ATOM 82 CA MET A 6 -3.772 -26.604 0.427 1.00 0.00 C ATOM 83 C MET A 6 -2.694 -25.549 0.686 1.00 0.00 C ATOM 84 O MET A 6 -2.534 -24.614 -0.097 1.00 0.00 O ATOM 85 CB MET A 6 -4.877 -26.474 1.477 1.00 0.00 C ATOM 86 CG MET A 6 -6.260 -26.550 0.829 1.00 0.00 C ATOM 87 SD MET A 6 -6.837 -28.239 0.817 1.00 0.00 S ATOM 88 CE MET A 6 -6.153 -28.788 -0.738 1.00 0.00 C ATOM 0 H MET A 6 -3.799 -28.635 0.939 1.00 0.00 H new ATOM 0 HA MET A 6 -4.185 -26.439 -0.568 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.775 -27.267 2.218 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.771 -25.527 2.006 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.962 -25.921 1.376 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.215 -26.165 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.726 -29.783 -0.616 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.941 -28.821 -1.491 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.374 -28.096 -1.058 1.00 0.00 H new ATOM 98 N ASP A 7 -1.983 -25.734 1.788 1.00 0.00 N ATOM 99 CA ASP A 7 -0.925 -24.810 2.160 1.00 0.00 C ATOM 100 C ASP A 7 -0.119 -24.436 0.915 1.00 0.00 C ATOM 101 O ASP A 7 0.241 -23.274 0.731 1.00 0.00 O ATOM 102 CB ASP A 7 0.033 -25.447 3.170 1.00 0.00 C ATOM 103 CG ASP A 7 1.420 -24.805 3.238 1.00 0.00 C ATOM 104 OD1 ASP A 7 2.444 -25.475 3.033 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.426 -23.547 3.519 1.00 0.00 O ATOM 0 H ASP A 7 -2.119 -26.510 2.436 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.388 -23.930 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.422 -25.400 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.149 -26.502 2.923 1.00 0.00 H new ATOM 111 N LEU A 8 0.141 -25.442 0.094 1.00 0.00 N ATOM 112 CA LEU A 8 0.898 -25.233 -1.130 1.00 0.00 C ATOM 113 C LEU A 8 0.133 -24.270 -2.039 1.00 0.00 C ATOM 114 O LEU A 8 0.559 -23.134 -2.246 1.00 0.00 O ATOM 115 CB LEU A 8 1.228 -26.572 -1.790 1.00 0.00 C ATOM 116 CG LEU A 8 2.142 -26.508 -3.016 1.00 0.00 C ATOM 117 CD1 LEU A 8 3.430 -27.298 -2.782 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.405 -26.973 -4.274 1.00 0.00 C ATOM 0 H LEU A 8 -0.159 -26.404 0.251 1.00 0.00 H new ATOM 0 HA LEU A 8 1.859 -24.768 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.696 -27.216 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.293 -27.050 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 8 2.427 -25.468 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.061 -27.236 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.963 -26.881 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.186 -28.341 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.077 -26.918 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.071 -28.002 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.542 -26.331 -4.448 1.00 0.00 H new ATOM 130 N LEU A 9 -0.984 -24.759 -2.559 1.00 0.00 N ATOM 131 CA LEU A 9 -1.812 -23.955 -3.442 1.00 0.00 C ATOM 132 C LEU A 9 -1.901 -22.530 -2.895 1.00 0.00 C ATOM 133 O LEU A 9 -1.446 -21.584 -3.537 1.00 0.00 O ATOM 134 CB LEU A 9 -3.174 -24.620 -3.651 1.00 0.00 C ATOM 135 CG LEU A 9 -3.566 -24.906 -5.102 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.746 -23.606 -5.888 1.00 0.00 C ATOM 137 CD2 LEU A 9 -2.557 -25.843 -5.768 1.00 0.00 C ATOM 0 H LEU A 9 -1.334 -25.701 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.360 -23.888 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.185 -25.561 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.939 -23.982 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.529 -25.417 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.024 -23.838 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.531 -23.007 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.811 -23.045 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.859 -26.030 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.570 -25.381 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.522 -26.786 -5.223 1.00 0.00 H new ATOM 149 N TYR A 10 -2.491 -22.420 -1.713 1.00 0.00 N ATOM 150 CA TYR A 10 -2.645 -21.125 -1.071 1.00 0.00 C ATOM 151 C TYR A 10 -1.415 -20.247 -1.306 1.00 0.00 C ATOM 152 O TYR A 10 -1.534 -19.121 -1.787 1.00 0.00 O ATOM 153 CB TYR A 10 -2.776 -21.409 0.427 1.00 0.00 C ATOM 154 CG TYR A 10 -2.840 -20.152 1.296 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.675 -19.559 1.737 1.00 0.00 C ATOM 156 CD2 TYR A 10 -4.062 -19.611 1.636 1.00 0.00 C ATOM 157 CE1 TYR A 10 -1.735 -18.376 2.556 1.00 0.00 C ATOM 158 CE2 TYR A 10 -4.122 -18.427 2.455 1.00 0.00 C ATOM 159 CZ TYR A 10 -2.956 -17.867 2.873 1.00 0.00 C ATOM 160 OH TYR A 10 -3.012 -16.750 3.646 1.00 0.00 O ATOM 0 H TYR A 10 -2.868 -23.206 -1.184 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.510 -20.598 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.675 -22.001 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.929 -22.016 0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.718 -19.982 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.974 -20.074 1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.831 -17.904 2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.072 -17.994 2.731 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.002 -15.955 3.073 1.00 0.00 H new ATOM 170 N MET A 11 -0.260 -20.794 -0.955 1.00 0.00 N ATOM 171 CA MET A 11 0.991 -20.074 -1.121 1.00 0.00 C ATOM 172 C MET A 11 1.066 -19.416 -2.500 1.00 0.00 C ATOM 173 O MET A 11 1.346 -18.224 -2.608 1.00 0.00 O ATOM 174 CB MET A 11 2.163 -21.043 -0.953 1.00 0.00 C ATOM 175 CG MET A 11 3.485 -20.284 -0.817 1.00 0.00 C ATOM 176 SD MET A 11 4.757 -21.378 -0.205 1.00 0.00 S ATOM 177 CE MET A 11 6.119 -20.883 -1.247 1.00 0.00 C ATOM 0 H MET A 11 -0.165 -21.728 -0.556 1.00 0.00 H new ATOM 0 HA MET A 11 1.042 -19.292 -0.363 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.003 -21.664 -0.071 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.211 -21.714 -1.811 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.780 -19.875 -1.783 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.361 -19.441 -0.138 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.002 -21.471 -0.996 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.857 -21.049 -2.292 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.331 -19.825 -1.090 1.00 0.00 H new ATOM 187 N ALA A 12 0.810 -20.222 -3.519 1.00 0.00 N ATOM 188 CA ALA A 12 0.844 -19.733 -4.887 1.00 0.00 C ATOM 189 C ALA A 12 -0.112 -18.547 -5.025 1.00 0.00 C ATOM 190 O ALA A 12 0.258 -17.506 -5.565 1.00 0.00 O ATOM 191 CB ALA A 12 0.501 -20.874 -5.847 1.00 0.00 C ATOM 0 H ALA A 12 0.578 -21.211 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 12 1.843 -19.382 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.527 -20.507 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.228 -21.678 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.496 -21.252 -5.622 1.00 0.00 H new ATOM 197 N ALA A 13 -1.324 -18.745 -4.527 1.00 0.00 N ATOM 198 CA ALA A 13 -2.337 -17.705 -4.587 1.00 0.00 C ATOM 199 C ALA A 13 -1.825 -16.458 -3.863 1.00 0.00 C ATOM 200 O ALA A 13 -1.468 -15.469 -4.502 1.00 0.00 O ATOM 201 CB ALA A 13 -3.644 -18.230 -3.991 1.00 0.00 C ATOM 0 H ALA A 13 -1.627 -19.610 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.540 -17.426 -5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.404 -17.450 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.980 -19.097 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.481 -18.518 -2.952 1.00 0.00 H new ATOM 207 N ALA A 14 -1.806 -16.546 -2.542 1.00 0.00 N ATOM 208 CA ALA A 14 -1.344 -15.437 -1.724 1.00 0.00 C ATOM 209 C ALA A 14 -0.129 -14.790 -2.391 1.00 0.00 C ATOM 210 O ALA A 14 -0.180 -13.627 -2.788 1.00 0.00 O ATOM 211 CB ALA A 14 -1.037 -15.937 -0.311 1.00 0.00 C ATOM 0 H ALA A 14 -2.103 -17.368 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.118 -14.675 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.691 -15.105 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.940 -16.361 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.262 -16.702 -0.356 1.00 0.00 H new ATOM 217 N VAL A 15 0.936 -15.571 -2.493 1.00 0.00 N ATOM 218 CA VAL A 15 2.163 -15.088 -3.104 1.00 0.00 C ATOM 219 C VAL A 15 1.817 -14.237 -4.328 1.00 0.00 C ATOM 220 O VAL A 15 2.251 -13.091 -4.433 1.00 0.00 O ATOM 221 CB VAL A 15 3.081 -16.267 -3.437 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.261 -15.816 -4.301 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.568 -16.958 -2.162 1.00 0.00 C ATOM 0 H VAL A 15 0.975 -16.535 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 15 2.711 -14.452 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 15 2.503 -16.991 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.898 -16.672 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.888 -15.390 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.839 -15.064 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.218 -17.792 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.122 -16.245 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.711 -17.330 -1.600 1.00 0.00 H new ATOM 233 N MET A 16 1.039 -14.831 -5.221 1.00 0.00 N ATOM 234 CA MET A 16 0.630 -14.140 -6.432 1.00 0.00 C ATOM 235 C MET A 16 0.020 -12.775 -6.107 1.00 0.00 C ATOM 236 O MET A 16 0.377 -11.770 -6.719 1.00 0.00 O ATOM 237 CB MET A 16 -0.395 -14.992 -7.184 1.00 0.00 C ATOM 238 CG MET A 16 0.203 -15.560 -8.473 1.00 0.00 C ATOM 239 SD MET A 16 -0.587 -14.818 -9.891 1.00 0.00 S ATOM 240 CE MET A 16 -1.134 -16.286 -10.745 1.00 0.00 C ATOM 0 H MET A 16 0.681 -15.782 -5.130 1.00 0.00 H new ATOM 0 HA MET A 16 1.512 -13.983 -7.053 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.733 -15.808 -6.545 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.271 -14.388 -7.421 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.275 -15.368 -8.502 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.073 -16.642 -8.498 1.00 0.00 H new ATOM 0 HE1 MET A 16 -1.652 -16.002 -11.661 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.272 -16.906 -10.992 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.813 -16.848 -10.104 1.00 0.00 H new ATOM 250 N MET A 17 -0.892 -12.785 -5.145 1.00 0.00 N ATOM 251 CA MET A 17 -1.555 -11.560 -4.730 1.00 0.00 C ATOM 252 C MET A 17 -0.538 -10.514 -4.271 1.00 0.00 C ATOM 253 O MET A 17 -0.660 -9.336 -4.604 1.00 0.00 O ATOM 254 CB MET A 17 -2.525 -11.867 -3.587 1.00 0.00 C ATOM 255 CG MET A 17 -3.592 -12.871 -4.028 1.00 0.00 C ATOM 256 SD MET A 17 -4.376 -13.595 -2.598 1.00 0.00 S ATOM 257 CE MET A 17 -6.092 -13.383 -3.043 1.00 0.00 C ATOM 0 H MET A 17 -1.187 -13.622 -4.641 1.00 0.00 H new ATOM 0 HA MET A 17 -2.101 -11.157 -5.583 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.974 -12.267 -2.735 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.003 -10.946 -3.254 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.337 -12.373 -4.649 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.138 -13.652 -4.639 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.725 -13.785 -2.252 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.305 -12.322 -3.175 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.295 -13.912 -3.974 1.00 0.00 H new ATOM 267 N GLY A 18 0.444 -10.982 -3.515 1.00 0.00 N ATOM 268 CA GLY A 18 1.481 -10.101 -3.006 1.00 0.00 C ATOM 269 C GLY A 18 2.159 -9.337 -4.145 1.00 0.00 C ATOM 270 O GLY A 18 2.452 -8.150 -4.014 1.00 0.00 O ATOM 0 H GLY A 18 0.543 -11.960 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.048 -9.395 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.224 -10.684 -2.462 1.00 0.00 H new ATOM 274 N LEU A 19 2.388 -10.049 -5.239 1.00 0.00 N ATOM 275 CA LEU A 19 3.026 -9.453 -6.400 1.00 0.00 C ATOM 276 C LEU A 19 2.151 -8.315 -6.928 1.00 0.00 C ATOM 277 O LEU A 19 2.525 -7.146 -6.837 1.00 0.00 O ATOM 278 CB LEU A 19 3.339 -10.523 -7.447 1.00 0.00 C ATOM 279 CG LEU A 19 3.963 -11.817 -6.918 1.00 0.00 C ATOM 280 CD1 LEU A 19 4.367 -12.742 -8.069 1.00 0.00 C ATOM 281 CD2 LEU A 19 5.137 -11.518 -5.984 1.00 0.00 C ATOM 0 H LEU A 19 2.143 -11.033 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 19 3.987 -9.017 -6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.415 -10.775 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.015 -10.093 -8.186 1.00 0.00 H new ATOM 0 HG LEU A 19 3.211 -12.344 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.808 -13.654 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.486 -12.995 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.096 -12.237 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.562 -12.454 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.900 -10.959 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.787 -10.928 -5.137 1.00 0.00 H new ATOM 293 N ALA A 20 1.003 -8.694 -7.470 1.00 0.00 N ATOM 294 CA ALA A 20 0.072 -7.720 -8.012 1.00 0.00 C ATOM 295 C ALA A 20 -0.110 -6.581 -7.008 1.00 0.00 C ATOM 296 O ALA A 20 0.223 -5.432 -7.298 1.00 0.00 O ATOM 297 CB ALA A 20 -1.248 -8.411 -8.355 1.00 0.00 C ATOM 0 H ALA A 20 0.696 -9.664 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 20 0.462 -7.288 -8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.947 -7.680 -8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.069 -9.192 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.671 -8.855 -7.454 1.00 0.00 H new ATOM 303 N ALA A 21 -0.636 -6.937 -5.845 1.00 0.00 N ATOM 304 CA ALA A 21 -0.867 -5.959 -4.796 1.00 0.00 C ATOM 305 C ALA A 21 0.337 -5.018 -4.710 1.00 0.00 C ATOM 306 O ALA A 21 0.182 -3.799 -4.776 1.00 0.00 O ATOM 307 CB ALA A 21 -1.138 -6.682 -3.474 1.00 0.00 C ATOM 0 H ALA A 21 -0.909 -7.890 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.745 -5.353 -5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.311 -5.948 -2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.019 -7.316 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.277 -7.298 -3.213 1.00 0.00 H new ATOM 313 N ILE A 22 1.509 -5.619 -4.562 1.00 0.00 N ATOM 314 CA ILE A 22 2.738 -4.850 -4.466 1.00 0.00 C ATOM 315 C ILE A 22 2.781 -3.823 -5.599 1.00 0.00 C ATOM 316 O ILE A 22 3.037 -2.643 -5.362 1.00 0.00 O ATOM 317 CB ILE A 22 3.951 -5.781 -4.433 1.00 0.00 C ATOM 318 CG1 ILE A 22 4.181 -6.332 -3.024 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.194 -5.081 -4.985 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.930 -7.666 -3.072 1.00 0.00 C ATOM 0 H ILE A 22 1.633 -6.630 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 22 2.767 -4.293 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 22 3.746 -6.632 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.751 -5.612 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.223 -6.467 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.042 -5.765 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.013 -4.779 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.413 -4.200 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.080 -8.036 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.346 -8.391 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.898 -7.523 -3.553 1.00 0.00 H new ATOM 332 N GLY A 23 2.526 -4.308 -6.805 1.00 0.00 N ATOM 333 CA GLY A 23 2.534 -3.447 -7.975 1.00 0.00 C ATOM 334 C GLY A 23 1.723 -2.174 -7.723 1.00 0.00 C ATOM 335 O GLY A 23 2.275 -1.074 -7.715 1.00 0.00 O ATOM 0 H GLY A 23 2.312 -5.287 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.560 -3.184 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.120 -3.983 -8.829 1.00 0.00 H new ATOM 339 N ASP A 24 0.427 -2.365 -7.525 1.00 0.00 N ATOM 340 CA ASP A 24 -0.464 -1.245 -7.274 1.00 0.00 C ATOM 341 C ASP A 24 0.059 -0.439 -6.083 1.00 0.00 C ATOM 342 O ASP A 24 0.421 0.727 -6.229 1.00 0.00 O ATOM 343 CB ASP A 24 -1.874 -1.730 -6.933 1.00 0.00 C ATOM 344 CG ASP A 24 -2.991 -0.723 -7.218 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.320 0.122 -6.373 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.540 -0.833 -8.381 1.00 0.00 O ATOM 0 H ASP A 24 -0.027 -3.278 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.500 -0.634 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.075 -2.641 -7.496 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.905 -1.995 -5.876 1.00 0.00 H new ATOM 352 N ALA A 25 0.082 -1.094 -4.931 1.00 0.00 N ATOM 353 CA ALA A 25 0.556 -0.452 -3.716 1.00 0.00 C ATOM 354 C ALA A 25 1.776 0.410 -4.041 1.00 0.00 C ATOM 355 O ALA A 25 2.020 1.422 -3.385 1.00 0.00 O ATOM 356 CB ALA A 25 0.860 -1.518 -2.661 1.00 0.00 C ATOM 0 H ALA A 25 -0.219 -2.061 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.211 0.205 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.215 -1.037 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.046 -2.083 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.628 -2.194 -3.038 1.00 0.00 H new ATOM 362 N ILE A 26 2.512 -0.021 -5.055 1.00 0.00 N ATOM 363 CA ILE A 26 3.702 0.700 -5.476 1.00 0.00 C ATOM 364 C ILE A 26 3.289 1.909 -6.318 1.00 0.00 C ATOM 365 O ILE A 26 3.709 3.033 -6.043 1.00 0.00 O ATOM 366 CB ILE A 26 4.674 -0.242 -6.189 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.754 -0.744 -5.228 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.275 0.425 -7.428 1.00 0.00 C ATOM 369 CD1 ILE A 26 7.052 -1.053 -5.976 1.00 0.00 C ATOM 0 H ILE A 26 2.308 -0.860 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 26 4.242 1.083 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 26 4.116 -1.114 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.942 0.008 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.403 -1.640 -4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.962 -0.266 -7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.477 0.693 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.815 1.324 -7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.803 -1.408 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.866 -1.822 -6.725 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.413 -0.149 -6.466 1.00 0.00 H new ATOM 381 N GLY A 27 2.472 1.639 -7.325 1.00 0.00 N ATOM 382 CA GLY A 27 1.999 2.691 -8.208 1.00 0.00 C ATOM 383 C GLY A 27 1.797 4.000 -7.442 1.00 0.00 C ATOM 384 O GLY A 27 2.186 5.067 -7.916 1.00 0.00 O ATOM 0 H GLY A 27 2.125 0.706 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.717 2.844 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.060 2.388 -8.671 1.00 0.00 H new ATOM 388 N ILE A 28 1.191 3.876 -6.271 1.00 0.00 N ATOM 389 CA ILE A 28 0.934 5.037 -5.434 1.00 0.00 C ATOM 390 C ILE A 28 2.238 5.478 -4.768 1.00 0.00 C ATOM 391 O ILE A 28 2.583 6.658 -4.792 1.00 0.00 O ATOM 392 CB ILE A 28 -0.194 4.744 -4.444 1.00 0.00 C ATOM 393 CG1 ILE A 28 -1.163 3.703 -5.009 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.912 6.031 -4.033 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.874 2.315 -4.435 1.00 0.00 C ATOM 0 H ILE A 28 0.870 2.990 -5.881 1.00 0.00 H new ATOM 0 HA ILE A 28 0.586 5.874 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 28 0.246 4.319 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.188 3.991 -4.775 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.080 3.676 -6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.709 5.794 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.201 6.709 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.338 6.508 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.577 1.595 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.143 2.020 -4.691 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.982 2.340 -3.351 1.00 0.00 H new ATOM 407 N GLY A 29 2.927 4.507 -4.186 1.00 0.00 N ATOM 408 CA GLY A 29 4.186 4.781 -3.513 1.00 0.00 C ATOM 409 C GLY A 29 5.114 5.610 -4.403 1.00 0.00 C ATOM 410 O GLY A 29 5.675 6.611 -3.959 1.00 0.00 O ATOM 0 H GLY A 29 2.637 3.529 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.996 5.315 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.673 3.842 -3.248 1.00 0.00 H new ATOM 414 N ILE A 30 5.247 5.163 -5.643 1.00 0.00 N ATOM 415 CA ILE A 30 6.098 5.851 -6.600 1.00 0.00 C ATOM 416 C ILE A 30 5.484 7.212 -6.935 1.00 0.00 C ATOM 417 O ILE A 30 6.203 8.170 -7.209 1.00 0.00 O ATOM 418 CB ILE A 30 6.347 4.970 -7.826 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.532 4.030 -7.594 1.00 0.00 C ATOM 420 CG2 ILE A 30 6.528 5.820 -9.084 1.00 0.00 C ATOM 421 CD1 ILE A 30 7.290 3.132 -6.379 1.00 0.00 C ATOM 0 H ILE A 30 4.780 4.333 -6.008 1.00 0.00 H new ATOM 0 HA ILE A 30 7.081 6.041 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 30 5.467 4.346 -7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.691 3.415 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.440 4.614 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.704 5.169 -9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.629 6.412 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.381 6.486 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.147 2.474 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.155 3.750 -5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.395 2.532 -6.543 1.00 0.00 H new ATOM 433 N LEU A 31 4.160 7.252 -6.903 1.00 0.00 N ATOM 434 CA LEU A 31 3.441 8.479 -7.200 1.00 0.00 C ATOM 435 C LEU A 31 3.885 9.573 -6.227 1.00 0.00 C ATOM 436 O LEU A 31 4.347 10.633 -6.649 1.00 0.00 O ATOM 437 CB LEU A 31 1.932 8.230 -7.199 1.00 0.00 C ATOM 438 CG LEU A 31 1.077 9.290 -6.500 1.00 0.00 C ATOM 439 CD1 LEU A 31 1.081 10.602 -7.287 1.00 0.00 C ATOM 440 CD2 LEU A 31 -0.341 8.774 -6.251 1.00 0.00 C ATOM 0 H LEU A 31 3.566 6.454 -6.676 1.00 0.00 H new ATOM 0 HA LEU A 31 3.682 8.828 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.597 8.146 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.743 7.268 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 31 1.518 9.498 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.466 11.339 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.102 10.974 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.677 10.429 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.927 9.547 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.808 8.520 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.300 7.887 -5.619 1.00 0.00 H new ATOM 452 N GLY A 32 3.729 9.279 -4.946 1.00 0.00 N ATOM 453 CA GLY A 32 4.109 10.225 -3.909 1.00 0.00 C ATOM 454 C GLY A 32 5.491 10.819 -4.188 1.00 0.00 C ATOM 455 O GLY A 32 5.772 11.953 -3.804 1.00 0.00 O ATOM 0 H GLY A 32 3.345 8.399 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.370 11.025 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.113 9.726 -2.940 1.00 0.00 H new ATOM 459 N GLY A 33 6.317 10.026 -4.855 1.00 0.00 N ATOM 460 CA GLY A 33 7.662 10.459 -5.190 1.00 0.00 C ATOM 461 C GLY A 33 7.674 11.251 -6.500 1.00 0.00 C ATOM 462 O GLY A 33 8.407 12.230 -6.631 1.00 0.00 O ATOM 0 H GLY A 33 6.080 9.086 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.060 11.076 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.315 9.591 -5.280 1.00 0.00 H new ATOM 466 N LYS A 34 6.852 10.797 -7.435 1.00 0.00 N ATOM 467 CA LYS A 34 6.759 11.451 -8.730 1.00 0.00 C ATOM 468 C LYS A 34 5.939 12.735 -8.589 1.00 0.00 C ATOM 469 O LYS A 34 5.763 13.472 -9.559 1.00 0.00 O ATOM 470 CB LYS A 34 6.211 10.483 -9.780 1.00 0.00 C ATOM 471 CG LYS A 34 7.320 9.583 -10.329 1.00 0.00 C ATOM 472 CD LYS A 34 7.371 9.645 -11.856 1.00 0.00 C ATOM 473 CE LYS A 34 6.679 8.430 -12.477 1.00 0.00 C ATOM 474 NZ LYS A 34 5.225 8.465 -12.201 1.00 0.00 N ATOM 0 H LYS A 34 6.245 9.985 -7.322 1.00 0.00 H new ATOM 0 HA LYS A 34 7.748 11.741 -9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.425 9.870 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.757 11.045 -10.596 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.281 9.891 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.151 8.555 -10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.889 10.559 -12.203 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.409 9.686 -12.188 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.851 8.417 -13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.110 7.513 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.770 7.634 -12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.066 8.455 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.815 9.331 -12.606 1.00 0.00 H new ATOM 488 N PHE A 35 5.460 12.963 -7.376 1.00 0.00 N ATOM 489 CA PHE A 35 4.662 14.146 -7.097 1.00 0.00 C ATOM 490 C PHE A 35 5.533 15.277 -6.545 1.00 0.00 C ATOM 491 O PHE A 35 5.210 16.452 -6.712 1.00 0.00 O ATOM 492 CB PHE A 35 3.631 13.750 -6.038 1.00 0.00 C ATOM 493 CG PHE A 35 2.286 14.467 -6.180 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.690 14.558 -7.399 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.688 15.014 -5.087 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.442 15.224 -7.530 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.441 15.679 -5.219 1.00 0.00 C ATOM 498 CZ PHE A 35 -0.156 15.770 -6.437 1.00 0.00 C ATOM 0 H PHE A 35 5.608 12.350 -6.575 1.00 0.00 H new ATOM 0 HA PHE A 35 4.189 14.501 -8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.465 12.674 -6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.041 13.960 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.165 14.124 -8.267 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.162 14.942 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.032 15.297 -8.498 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.034 16.113 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.105 16.276 -6.537 1.00 0.00 H new ATOM 508 N LEU A 36 6.620 14.881 -5.898 1.00 0.00 N ATOM 509 CA LEU A 36 7.539 15.847 -5.322 1.00 0.00 C ATOM 510 C LEU A 36 8.031 16.795 -6.417 1.00 0.00 C ATOM 511 O LEU A 36 8.305 17.965 -6.154 1.00 0.00 O ATOM 512 CB LEU A 36 8.668 15.133 -4.575 1.00 0.00 C ATOM 513 CG LEU A 36 9.166 15.816 -3.300 1.00 0.00 C ATOM 514 CD1 LEU A 36 8.116 15.740 -2.190 1.00 0.00 C ATOM 515 CD2 LEU A 36 10.511 15.236 -2.857 1.00 0.00 C ATOM 0 H LEU A 36 6.884 13.905 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 36 7.030 16.458 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.329 14.130 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.512 15.019 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 36 9.326 16.872 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.496 16.233 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.203 16.237 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.900 14.696 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.843 15.739 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.401 14.169 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.249 15.386 -3.645 1.00 0.00 H new ATOM 527 N GLU A 37 8.129 16.254 -7.623 1.00 0.00 N ATOM 528 CA GLU A 37 8.583 17.036 -8.760 1.00 0.00 C ATOM 529 C GLU A 37 7.388 17.644 -9.497 1.00 0.00 C ATOM 530 O GLU A 37 7.504 18.706 -10.107 1.00 0.00 O ATOM 531 CB GLU A 37 9.437 16.188 -9.704 1.00 0.00 C ATOM 532 CG GLU A 37 10.850 16.759 -9.829 1.00 0.00 C ATOM 533 CD GLU A 37 11.866 15.652 -10.118 1.00 0.00 C ATOM 534 OE1 GLU A 37 12.001 14.711 -9.323 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.528 15.794 -11.216 1.00 0.00 O ATOM 0 H GLU A 37 7.902 15.283 -7.837 1.00 0.00 H new ATOM 0 HA GLU A 37 9.209 17.849 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.486 15.164 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.969 16.149 -10.687 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.877 17.500 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.121 17.274 -8.907 1.00 0.00 H new ATOM 543 N GLY A 38 6.266 16.943 -9.417 1.00 0.00 N ATOM 544 CA GLY A 38 5.050 17.400 -10.070 1.00 0.00 C ATOM 545 C GLY A 38 4.450 18.599 -9.332 1.00 0.00 C ATOM 546 O GLY A 38 4.182 19.635 -9.939 1.00 0.00 O ATOM 0 H GLY A 38 6.173 16.063 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.268 17.675 -11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.324 16.588 -10.104 1.00 0.00 H new ATOM 550 N ALA A 39 4.255 18.418 -8.034 1.00 0.00 N ATOM 551 CA ALA A 39 3.692 19.472 -7.208 1.00 0.00 C ATOM 552 C ALA A 39 4.785 20.487 -6.867 1.00 0.00 C ATOM 553 O ALA A 39 4.535 21.458 -6.155 1.00 0.00 O ATOM 554 CB ALA A 39 3.057 18.857 -5.959 1.00 0.00 C ATOM 0 H ALA A 39 4.477 17.557 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 39 2.907 20.003 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.634 19.648 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.267 18.166 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.816 18.318 -5.392 1.00 0.00 H new ATOM 560 N ALA A 40 5.973 20.228 -7.392 1.00 0.00 N ATOM 561 CA ALA A 40 7.105 21.106 -7.152 1.00 0.00 C ATOM 562 C ALA A 40 6.884 22.429 -7.888 1.00 0.00 C ATOM 563 O ALA A 40 7.517 23.434 -7.570 1.00 0.00 O ATOM 564 CB ALA A 40 8.396 20.407 -7.585 1.00 0.00 C ATOM 0 H ALA A 40 6.176 19.422 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 40 7.197 21.331 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.245 21.066 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.522 19.488 -7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.342 20.168 -8.647 1.00 0.00 H new ATOM 570 N ARG A 41 5.983 22.385 -8.858 1.00 0.00 N ATOM 571 CA ARG A 41 5.670 23.568 -9.642 1.00 0.00 C ATOM 572 C ARG A 41 4.722 24.484 -8.866 1.00 0.00 C ATOM 573 O ARG A 41 4.586 25.662 -9.194 1.00 0.00 O ATOM 574 CB ARG A 41 5.023 23.188 -10.977 1.00 0.00 C ATOM 575 CG ARG A 41 6.074 23.060 -12.079 1.00 0.00 C ATOM 576 CD ARG A 41 5.697 21.960 -13.073 1.00 0.00 C ATOM 577 NE ARG A 41 4.939 22.538 -14.205 1.00 0.00 N ATOM 578 CZ ARG A 41 4.854 21.970 -15.427 1.00 0.00 C ATOM 579 NH1 ARG A 41 5.477 20.801 -15.685 1.00 0.00 N ATOM 580 NH2 ARG A 41 4.149 22.575 -16.365 1.00 0.00 N ATOM 0 H ARG A 41 5.460 21.549 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 41 6.605 24.092 -9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.487 22.245 -10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.288 23.943 -11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.173 24.010 -12.604 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.045 22.837 -11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.597 21.467 -13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.098 21.198 -12.575 1.00 0.00 H new ATOM 0 HE ARG A 41 4.450 23.420 -14.053 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.018 20.339 -14.954 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.407 20.379 -16.611 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.679 23.457 -16.161 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.074 22.160 -17.294 1.00 0.00 H new ATOM 594 N GLN A 42 4.092 23.908 -7.853 1.00 0.00 N ATOM 595 CA GLN A 42 3.161 24.659 -7.027 1.00 0.00 C ATOM 596 C GLN A 42 3.695 24.777 -5.598 1.00 0.00 C ATOM 597 O GLN A 42 3.798 23.780 -4.886 1.00 0.00 O ATOM 598 CB GLN A 42 1.773 24.015 -7.042 1.00 0.00 C ATOM 599 CG GLN A 42 1.528 23.273 -8.357 1.00 0.00 C ATOM 600 CD GLN A 42 1.501 24.244 -9.539 1.00 0.00 C ATOM 601 OE1 GLN A 42 1.514 25.454 -9.382 1.00 0.00 O ATOM 602 NE2 GLN A 42 1.464 23.648 -10.727 1.00 0.00 N ATOM 0 H GLN A 42 4.208 22.931 -7.585 1.00 0.00 H new ATOM 0 HA GLN A 42 3.065 25.662 -7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.681 23.321 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.011 24.782 -6.905 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.311 22.530 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.582 22.734 -8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.455 22.630 -10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.445 24.209 -11.579 1.00 0.00 H new ATOM 611 N PRO A 43 4.030 26.037 -5.212 1.00 0.00 N ATOM 612 CA PRO A 43 4.550 26.299 -3.880 1.00 0.00 C ATOM 613 C PRO A 43 3.436 26.236 -2.834 1.00 0.00 C ATOM 614 O PRO A 43 3.684 26.435 -1.646 1.00 0.00 O ATOM 615 CB PRO A 43 5.201 27.669 -3.974 1.00 0.00 C ATOM 616 CG PRO A 43 4.618 28.322 -5.217 1.00 0.00 C ATOM 617 CD PRO A 43 3.921 27.242 -6.028 1.00 0.00 C ATOM 0 HA PRO A 43 5.274 25.551 -3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.990 28.264 -3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.285 27.582 -4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.913 29.107 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.405 28.793 -5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.879 27.499 -6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.397 27.107 -6.999 1.00 0.00 H new ATOM 625 N ASP A 44 2.233 25.957 -3.313 1.00 0.00 N ATOM 626 CA ASP A 44 1.080 25.865 -2.433 1.00 0.00 C ATOM 627 C ASP A 44 0.637 24.404 -2.331 1.00 0.00 C ATOM 628 O ASP A 44 -0.452 24.116 -1.839 1.00 0.00 O ATOM 629 CB ASP A 44 -0.096 26.678 -2.980 1.00 0.00 C ATOM 630 CG ASP A 44 -0.638 27.749 -2.031 1.00 0.00 C ATOM 631 OD1 ASP A 44 -1.192 27.438 -0.966 1.00 0.00 O ATOM 632 OD2 ASP A 44 -0.469 28.965 -2.427 1.00 0.00 O ATOM 0 H ASP A 44 2.031 25.792 -4.299 1.00 0.00 H new ATOM 0 HA ASP A 44 1.368 26.257 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.214 27.159 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.906 25.993 -3.232 1.00 0.00 H new ATOM 638 N LEU A 45 1.506 23.522 -2.802 1.00 0.00 N ATOM 639 CA LEU A 45 1.218 22.098 -2.769 1.00 0.00 C ATOM 640 C LEU A 45 2.298 21.382 -1.956 1.00 0.00 C ATOM 641 O LEU A 45 2.452 20.166 -2.055 1.00 0.00 O ATOM 642 CB LEU A 45 1.054 21.552 -4.189 1.00 0.00 C ATOM 643 CG LEU A 45 -0.257 21.902 -4.895 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.419 21.079 -4.336 1.00 0.00 C ATOM 645 CD2 LEU A 45 -0.534 23.405 -4.824 1.00 0.00 C ATOM 0 H LEU A 45 2.409 23.766 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 45 0.267 21.913 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.880 21.921 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.145 20.466 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.156 21.642 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.339 21.348 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.217 20.018 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.531 21.284 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.472 23.627 -5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.606 23.713 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.278 23.948 -5.307 1.00 0.00 H new ATOM 657 N ILE A 46 3.020 22.168 -1.169 1.00 0.00 N ATOM 658 CA ILE A 46 4.081 21.624 -0.340 1.00 0.00 C ATOM 659 C ILE A 46 3.466 20.919 0.871 1.00 0.00 C ATOM 660 O ILE A 46 3.776 19.761 1.143 1.00 0.00 O ATOM 661 CB ILE A 46 5.085 22.718 0.031 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.294 22.693 -0.907 1.00 0.00 C ATOM 663 CG2 ILE A 46 5.497 22.610 1.500 1.00 0.00 C ATOM 664 CD1 ILE A 46 6.106 23.669 -2.070 1.00 0.00 C ATOM 0 H ILE A 46 2.890 23.177 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 46 4.649 20.875 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 46 4.598 23.685 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.195 22.953 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.438 21.684 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.211 23.399 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.616 22.715 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.958 21.638 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.979 23.631 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.218 23.392 -2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.987 24.680 -1.681 1.00 0.00 H new ATOM 676 N PRO A 47 2.582 21.667 1.585 1.00 0.00 N ATOM 677 CA PRO A 47 1.921 21.126 2.760 1.00 0.00 C ATOM 678 C PRO A 47 0.820 20.141 2.364 1.00 0.00 C ATOM 679 O PRO A 47 0.159 19.563 3.226 1.00 0.00 O ATOM 680 CB PRO A 47 1.392 22.339 3.507 1.00 0.00 C ATOM 681 CG PRO A 47 1.368 23.474 2.495 1.00 0.00 C ATOM 682 CD PRO A 47 2.191 23.044 1.293 1.00 0.00 C ATOM 0 HA PRO A 47 2.594 20.548 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.395 22.149 3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 47 2.031 22.585 4.355 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.344 23.697 2.196 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.778 24.384 2.933 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.610 23.104 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.063 23.684 1.161 1.00 0.00 H new ATOM 690 N LEU A 48 0.656 19.978 1.059 1.00 0.00 N ATOM 691 CA LEU A 48 -0.354 19.073 0.538 1.00 0.00 C ATOM 692 C LEU A 48 0.330 17.829 -0.036 1.00 0.00 C ATOM 693 O LEU A 48 0.161 16.727 0.483 1.00 0.00 O ATOM 694 CB LEU A 48 -1.258 19.795 -0.463 1.00 0.00 C ATOM 695 CG LEU A 48 -2.386 20.636 0.139 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.331 21.143 -0.951 1.00 0.00 C ATOM 697 CD2 LEU A 48 -3.130 19.858 1.226 1.00 0.00 C ATOM 0 H LEU A 48 1.206 20.458 0.347 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.012 18.736 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.637 20.444 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.700 19.051 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.944 21.511 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.124 21.738 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.774 21.759 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.769 20.294 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.926 20.478 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.560 18.953 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.434 19.587 2.020 1.00 0.00 H new ATOM 709 N LEU A 49 1.088 18.049 -1.101 1.00 0.00 N ATOM 710 CA LEU A 49 1.798 16.961 -1.752 1.00 0.00 C ATOM 711 C LEU A 49 2.486 16.101 -0.692 1.00 0.00 C ATOM 712 O LEU A 49 2.424 14.874 -0.746 1.00 0.00 O ATOM 713 CB LEU A 49 2.752 17.505 -2.818 1.00 0.00 C ATOM 714 CG LEU A 49 4.132 17.939 -2.323 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.996 16.725 -1.975 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.815 18.857 -3.339 1.00 0.00 C ATOM 0 H LEU A 49 1.226 18.965 -1.529 1.00 0.00 H new ATOM 0 HA LEU A 49 1.100 16.314 -2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.886 16.739 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.276 18.358 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 49 4.001 18.514 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.972 17.061 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.510 16.145 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.122 16.102 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.795 19.151 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.933 18.328 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.204 19.746 -3.494 1.00 0.00 H new ATOM 728 N ARG A 50 3.128 16.778 0.249 1.00 0.00 N ATOM 729 CA ARG A 50 3.828 16.091 1.321 1.00 0.00 C ATOM 730 C ARG A 50 2.856 15.214 2.113 1.00 0.00 C ATOM 731 O ARG A 50 2.919 13.987 2.035 1.00 0.00 O ATOM 732 CB ARG A 50 4.493 17.089 2.272 1.00 0.00 C ATOM 733 CG ARG A 50 5.856 17.531 1.736 1.00 0.00 C ATOM 734 CD ARG A 50 6.930 17.436 2.822 1.00 0.00 C ATOM 735 NE ARG A 50 6.989 18.702 3.587 1.00 0.00 N ATOM 736 CZ ARG A 50 7.925 18.981 4.519 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.890 18.082 4.811 1.00 0.00 N ATOM 738 NH2 ARG A 50 7.884 20.144 5.141 1.00 0.00 N ATOM 0 H ARG A 50 3.178 17.796 0.291 1.00 0.00 H new ATOM 0 HA ARG A 50 4.599 15.468 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.849 17.959 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.615 16.634 3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.136 16.908 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.792 18.556 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.708 16.606 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.900 17.229 2.369 1.00 0.00 H new ATOM 0 HE ARG A 50 6.278 19.408 3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.915 17.185 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.594 18.300 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.152 20.818 4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.584 20.369 5.848 1.00 0.00 H new ATOM 752 N THR A 51 1.981 15.875 2.855 1.00 0.00 N ATOM 753 CA THR A 51 0.998 15.169 3.660 1.00 0.00 C ATOM 754 C THR A 51 0.469 13.948 2.905 1.00 0.00 C ATOM 755 O THR A 51 0.402 12.852 3.461 1.00 0.00 O ATOM 756 CB THR A 51 -0.098 16.165 4.048 1.00 0.00 C ATOM 757 OG1 THR A 51 0.515 16.985 5.039 1.00 0.00 O ATOM 758 CG2 THR A 51 -1.262 15.498 4.782 1.00 0.00 C ATOM 0 H THR A 51 1.932 16.892 2.916 1.00 0.00 H new ATOM 0 HA THR A 51 1.442 14.779 4.576 1.00 0.00 H new ATOM 0 HB THR A 51 -0.472 16.662 3.153 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.545 17.912 4.724 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.011 16.249 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.710 14.739 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.896 15.030 5.696 1.00 0.00 H new ATOM 766 N GLN A 52 0.107 14.178 1.651 1.00 0.00 N ATOM 767 CA GLN A 52 -0.414 13.109 0.816 1.00 0.00 C ATOM 768 C GLN A 52 0.541 11.914 0.825 1.00 0.00 C ATOM 769 O GLN A 52 0.176 10.826 1.268 1.00 0.00 O ATOM 770 CB GLN A 52 -0.663 13.601 -0.612 1.00 0.00 C ATOM 771 CG GLN A 52 -2.078 14.161 -0.760 1.00 0.00 C ATOM 772 CD GLN A 52 -2.417 14.414 -2.230 1.00 0.00 C ATOM 773 OE1 GLN A 52 -2.782 15.506 -2.632 1.00 0.00 O ATOM 774 NE2 GLN A 52 -2.275 13.345 -3.010 1.00 0.00 N ATOM 0 H GLN A 52 0.164 15.088 1.194 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.371 12.787 1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.065 14.371 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.518 12.780 -1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.796 13.461 -0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.166 15.091 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.965 12.459 -2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.476 13.411 -4.008 1.00 0.00 H new ATOM 783 N PHE A 53 1.746 12.156 0.331 1.00 0.00 N ATOM 784 CA PHE A 53 2.756 11.113 0.277 1.00 0.00 C ATOM 785 C PHE A 53 2.691 10.222 1.519 1.00 0.00 C ATOM 786 O PHE A 53 2.404 9.030 1.418 1.00 0.00 O ATOM 787 CB PHE A 53 4.118 11.811 0.235 1.00 0.00 C ATOM 788 CG PHE A 53 5.309 10.850 0.229 1.00 0.00 C ATOM 789 CD1 PHE A 53 5.228 9.672 -0.444 1.00 0.00 C ATOM 790 CD2 PHE A 53 6.449 11.176 0.896 1.00 0.00 C ATOM 791 CE1 PHE A 53 6.334 8.781 -0.450 1.00 0.00 C ATOM 792 CE2 PHE A 53 7.554 10.285 0.890 1.00 0.00 C ATOM 793 CZ PHE A 53 7.473 9.106 0.217 1.00 0.00 C ATOM 0 H PHE A 53 2.046 13.059 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 53 2.594 10.483 -0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.166 12.439 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.202 12.473 1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.323 9.414 -0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.513 12.113 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.270 7.845 -0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.459 10.543 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.314 8.428 0.212 1.00 0.00 H new ATOM 803 N PHE A 54 2.962 10.834 2.662 1.00 0.00 N ATOM 804 CA PHE A 54 2.938 10.111 3.922 1.00 0.00 C ATOM 805 C PHE A 54 1.805 9.082 3.942 1.00 0.00 C ATOM 806 O PHE A 54 2.044 7.897 4.168 1.00 0.00 O ATOM 807 CB PHE A 54 2.693 11.143 5.025 1.00 0.00 C ATOM 808 CG PHE A 54 3.373 10.806 6.354 1.00 0.00 C ATOM 809 CD1 PHE A 54 4.643 11.228 6.595 1.00 0.00 C ATOM 810 CD2 PHE A 54 2.707 10.083 7.295 1.00 0.00 C ATOM 811 CE1 PHE A 54 5.274 10.916 7.828 1.00 0.00 C ATOM 812 CE2 PHE A 54 3.338 9.771 8.528 1.00 0.00 C ATOM 813 CZ PHE A 54 4.608 10.194 8.768 1.00 0.00 C ATOM 0 H PHE A 54 3.199 11.823 2.742 1.00 0.00 H new ATOM 0 HA PHE A 54 3.879 9.579 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.047 12.116 4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.620 11.235 5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.172 11.801 5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.699 9.747 7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.282 11.252 8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.809 9.198 9.275 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.088 9.956 9.706 1.00 0.00 H new ATOM 823 N ILE A 55 0.598 9.574 3.703 1.00 0.00 N ATOM 824 CA ILE A 55 -0.571 8.711 3.691 1.00 0.00 C ATOM 825 C ILE A 55 -0.392 7.632 2.621 1.00 0.00 C ATOM 826 O ILE A 55 -0.534 6.443 2.904 1.00 0.00 O ATOM 827 CB ILE A 55 -1.846 9.541 3.521 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.090 10.427 4.745 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.047 8.643 3.214 1.00 0.00 C ATOM 830 CD1 ILE A 55 -2.762 11.742 4.343 1.00 0.00 C ATOM 0 H ILE A 55 0.405 10.558 3.516 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.677 8.198 4.647 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.712 10.203 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.717 9.898 5.462 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.143 10.635 5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.940 9.257 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.863 8.092 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.194 7.940 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.925 12.354 5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.121 12.279 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.720 11.531 3.868 1.00 0.00 H new ATOM 842 N VAL A 56 -0.084 8.085 1.414 1.00 0.00 N ATOM 843 CA VAL A 56 0.115 7.173 0.301 1.00 0.00 C ATOM 844 C VAL A 56 0.987 6.001 0.757 1.00 0.00 C ATOM 845 O VAL A 56 0.554 4.850 0.724 1.00 0.00 O ATOM 846 CB VAL A 56 0.703 7.926 -0.893 1.00 0.00 C ATOM 847 CG1 VAL A 56 1.292 6.954 -1.918 1.00 0.00 C ATOM 848 CG2 VAL A 56 -0.346 8.834 -1.539 1.00 0.00 C ATOM 0 H VAL A 56 0.032 9.072 1.183 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.838 6.760 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 56 1.512 8.557 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.703 7.515 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.083 6.368 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.509 6.286 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.098 9.358 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.185 8.231 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.699 9.561 -0.807 1.00 0.00 H new ATOM 858 N MET A 57 2.200 6.335 1.172 1.00 0.00 N ATOM 859 CA MET A 57 3.137 5.325 1.634 1.00 0.00 C ATOM 860 C MET A 57 2.454 4.336 2.581 1.00 0.00 C ATOM 861 O MET A 57 2.759 3.144 2.565 1.00 0.00 O ATOM 862 CB MET A 57 4.303 6.003 2.357 1.00 0.00 C ATOM 863 CG MET A 57 5.633 5.683 1.671 1.00 0.00 C ATOM 864 SD MET A 57 6.655 4.697 2.751 1.00 0.00 S ATOM 865 CE MET A 57 7.853 5.923 3.250 1.00 0.00 C ATOM 0 H MET A 57 2.556 7.291 1.198 1.00 0.00 H new ATOM 0 HA MET A 57 3.506 4.775 0.768 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.148 7.082 2.373 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.335 5.670 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.451 5.147 0.739 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.149 6.607 1.412 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.573 5.471 3.933 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.374 6.301 2.371 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.344 6.746 3.752 1.00 0.00 H new ATOM 875 N GLY A 58 1.544 4.867 3.384 1.00 0.00 N ATOM 876 CA GLY A 58 0.815 4.046 4.336 1.00 0.00 C ATOM 877 C GLY A 58 -0.134 3.084 3.617 1.00 0.00 C ATOM 878 O GLY A 58 -0.087 1.877 3.843 1.00 0.00 O ATOM 0 H GLY A 58 1.295 5.856 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.518 3.480 4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.247 4.685 5.013 1.00 0.00 H new ATOM 882 N LEU A 59 -0.973 3.657 2.767 1.00 0.00 N ATOM 883 CA LEU A 59 -1.932 2.867 2.015 1.00 0.00 C ATOM 884 C LEU A 59 -1.180 1.923 1.074 1.00 0.00 C ATOM 885 O LEU A 59 -1.750 0.951 0.579 1.00 0.00 O ATOM 886 CB LEU A 59 -2.934 3.776 1.301 1.00 0.00 C ATOM 887 CG LEU A 59 -4.258 4.017 2.029 1.00 0.00 C ATOM 888 CD1 LEU A 59 -4.525 5.513 2.203 1.00 0.00 C ATOM 889 CD2 LEU A 59 -5.411 3.307 1.319 1.00 0.00 C ATOM 0 H LEU A 59 -1.008 4.660 2.582 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.524 2.246 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.458 4.741 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.153 3.346 0.324 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.181 3.587 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.472 5.655 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.720 5.961 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.573 5.990 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.340 3.495 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.499 3.685 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.217 2.235 1.293 1.00 0.00 H new ATOM 901 N VAL A 60 0.087 2.241 0.856 1.00 0.00 N ATOM 902 CA VAL A 60 0.921 1.433 -0.016 1.00 0.00 C ATOM 903 C VAL A 60 1.276 0.124 0.692 1.00 0.00 C ATOM 904 O VAL A 60 1.244 -0.944 0.082 1.00 0.00 O ATOM 905 CB VAL A 60 2.154 2.231 -0.448 1.00 0.00 C ATOM 906 CG1 VAL A 60 3.279 1.299 -0.903 1.00 0.00 C ATOM 907 CG2 VAL A 60 1.799 3.238 -1.545 1.00 0.00 C ATOM 0 H VAL A 60 0.556 3.047 1.268 1.00 0.00 H new ATOM 0 HA VAL A 60 0.381 1.174 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 60 2.511 2.790 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.143 1.892 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.560 0.640 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.937 0.701 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.692 3.792 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.405 2.708 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.047 3.933 -1.172 1.00 0.00 H new ATOM 917 N ASN A 61 1.605 0.250 1.970 1.00 0.00 N ATOM 918 CA ASN A 61 1.965 -0.910 2.767 1.00 0.00 C ATOM 919 C ASN A 61 0.708 -1.476 3.433 1.00 0.00 C ATOM 920 O ASN A 61 0.771 -2.488 4.127 1.00 0.00 O ATOM 921 CB ASN A 61 2.955 -0.534 3.870 1.00 0.00 C ATOM 922 CG ASN A 61 4.396 -0.608 3.362 1.00 0.00 C ATOM 923 OD1 ASN A 61 4.541 -0.238 2.092 1.00 0.00 O flip ATOM 924 ND2 ASN A 61 5.315 -0.974 4.075 1.00 0.00 N flip ATOM 0 H ASN A 61 1.630 1.137 2.472 1.00 0.00 H new ATOM 0 HA ASN A 61 2.424 -1.645 2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.743 0.474 4.226 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.830 -1.205 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.134 -1.244 5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.265 -1.010 3.705 1.00 0.00 H new ATOM 931 N ALA A 62 -0.404 -0.796 3.195 1.00 0.00 N ATOM 932 CA ALA A 62 -1.674 -1.218 3.763 1.00 0.00 C ATOM 933 C ALA A 62 -2.396 -2.128 2.767 1.00 0.00 C ATOM 934 O ALA A 62 -3.092 -3.061 3.165 1.00 0.00 O ATOM 935 CB ALA A 62 -2.503 0.014 4.133 1.00 0.00 C ATOM 0 H ALA A 62 -0.452 0.043 2.617 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.514 -1.790 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.455 -0.303 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.959 0.612 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.686 0.611 3.240 1.00 0.00 H new ATOM 941 N ILE A 63 -2.205 -1.825 1.492 1.00 0.00 N ATOM 942 CA ILE A 63 -2.829 -2.604 0.436 1.00 0.00 C ATOM 943 C ILE A 63 -2.421 -4.072 0.582 1.00 0.00 C ATOM 944 O ILE A 63 -3.275 -4.957 0.609 1.00 0.00 O ATOM 945 CB ILE A 63 -2.502 -2.008 -0.935 1.00 0.00 C ATOM 946 CG1 ILE A 63 -3.630 -1.096 -1.420 1.00 0.00 C ATOM 947 CG2 ILE A 63 -2.179 -3.108 -1.948 1.00 0.00 C ATOM 948 CD1 ILE A 63 -3.141 -0.158 -2.525 1.00 0.00 C ATOM 0 H ILE A 63 -1.627 -1.051 1.166 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.915 -2.564 0.524 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.610 -1.390 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.457 -1.701 -1.791 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.014 -0.510 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.950 -2.657 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.318 -3.680 -1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.038 -3.771 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.963 0.479 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.330 0.463 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.781 -0.746 -3.369 1.00 0.00 H new ATOM 960 N PRO A 64 -1.082 -4.290 0.674 1.00 0.00 N ATOM 961 CA PRO A 64 -0.551 -5.635 0.817 1.00 0.00 C ATOM 962 C PRO A 64 -0.770 -6.163 2.236 1.00 0.00 C ATOM 963 O PRO A 64 -1.251 -7.280 2.419 1.00 0.00 O ATOM 964 CB PRO A 64 0.919 -5.518 0.446 1.00 0.00 C ATOM 965 CG PRO A 64 1.262 -4.042 0.560 1.00 0.00 C ATOM 966 CD PRO A 64 -0.042 -3.265 0.645 1.00 0.00 C ATOM 0 HA PRO A 64 -1.054 -6.357 0.174 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.539 -6.116 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.097 -5.883 -0.566 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.873 -3.859 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.844 -3.718 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.075 -2.642 1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.164 -2.601 -0.211 1.00 0.00 H new ATOM 974 N MET A 65 -0.406 -5.334 3.204 1.00 0.00 N ATOM 975 CA MET A 65 -0.555 -5.704 4.601 1.00 0.00 C ATOM 976 C MET A 65 -1.962 -6.239 4.879 1.00 0.00 C ATOM 977 O MET A 65 -2.124 -7.238 5.577 1.00 0.00 O ATOM 978 CB MET A 65 -0.291 -4.483 5.484 1.00 0.00 C ATOM 979 CG MET A 65 -0.714 -4.749 6.930 1.00 0.00 C ATOM 980 SD MET A 65 0.239 -3.731 8.043 1.00 0.00 S ATOM 981 CE MET A 65 -0.635 -4.037 9.569 1.00 0.00 C ATOM 0 H MET A 65 -0.008 -4.408 3.048 1.00 0.00 H new ATOM 0 HA MET A 65 0.165 -6.490 4.828 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.769 -4.229 5.452 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.836 -3.623 5.094 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.777 -4.538 7.051 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.568 -5.802 7.172 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.167 -3.473 10.376 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.674 -3.724 9.462 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.599 -5.101 9.802 1.00 0.00 H new ATOM 991 N ILE A 66 -2.944 -5.550 4.316 1.00 0.00 N ATOM 992 CA ILE A 66 -4.332 -5.942 4.494 1.00 0.00 C ATOM 993 C ILE A 66 -4.647 -7.118 3.568 1.00 0.00 C ATOM 994 O ILE A 66 -5.509 -7.941 3.874 1.00 0.00 O ATOM 995 CB ILE A 66 -5.258 -4.740 4.301 1.00 0.00 C ATOM 996 CG1 ILE A 66 -5.130 -3.756 5.465 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.704 -5.191 4.088 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.365 -2.319 4.996 1.00 0.00 C ATOM 0 H ILE A 66 -2.806 -4.722 3.736 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.504 -6.285 5.514 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.949 -4.212 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.850 -4.011 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.138 -3.840 5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.342 -4.317 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.761 -5.822 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.041 -5.755 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.268 -1.639 5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.628 -2.059 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.366 -2.233 4.574 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.932 -7.160 2.453 1.00 0.00 N ATOM 1011 CA ALA A 67 -4.125 -8.221 1.479 1.00 0.00 C ATOM 1012 C ALA A 67 -3.710 -9.557 2.098 1.00 0.00 C ATOM 1013 O ALA A 67 -4.557 -10.402 2.385 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.338 -7.897 0.209 1.00 0.00 C ATOM 0 H ALA A 67 -3.218 -6.476 2.203 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.176 -8.300 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.483 -8.693 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.691 -6.954 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.278 -7.813 0.449 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.407 -9.706 2.285 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.869 -10.925 2.865 1.00 0.00 C ATOM 1022 C VAL A 68 -2.347 -11.050 4.313 1.00 0.00 C ATOM 1023 O VAL A 68 -2.478 -12.156 4.835 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.344 -10.938 2.735 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.229 -12.294 3.153 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.087 -10.574 1.313 1.00 0.00 C ATOM 0 H VAL A 68 -1.708 -9.003 2.045 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.235 -11.799 2.325 1.00 0.00 H new ATOM 0 HB VAL A 68 0.058 -10.182 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.314 -12.277 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.035 -12.496 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.183 -13.076 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.175 -10.590 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.330 -11.296 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.276 -9.576 1.067 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.594 -9.899 4.923 1.00 0.00 N ATOM 1037 CA GLY A 69 -3.053 -9.866 6.300 1.00 0.00 C ATOM 1038 C GLY A 69 -4.329 -10.692 6.474 1.00 0.00 C ATOM 1039 O GLY A 69 -4.405 -11.548 7.353 1.00 0.00 O ATOM 0 H GLY A 69 -2.485 -8.983 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.273 -10.253 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.240 -8.835 6.600 1.00 0.00 H new ATOM 1043 N LEU A 70 -5.301 -10.406 5.619 1.00 0.00 N ATOM 1044 CA LEU A 70 -6.570 -11.113 5.665 1.00 0.00 C ATOM 1045 C LEU A 70 -6.343 -12.584 5.312 1.00 0.00 C ATOM 1046 O LEU A 70 -6.691 -13.473 6.088 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.602 -10.418 4.776 1.00 0.00 C ATOM 1048 CG LEU A 70 -9.014 -10.297 5.354 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.855 -9.311 4.542 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -9.682 -11.671 5.460 1.00 0.00 C ATOM 0 H LEU A 70 -5.235 -9.695 4.891 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.984 -11.088 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.238 -9.417 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.663 -10.960 3.832 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.937 -9.898 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.854 -9.243 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.384 -8.328 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.928 -9.658 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.684 -11.557 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.747 -12.121 4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.091 -12.314 6.113 1.00 0.00 H new ATOM 1062 N GLY A 71 -5.761 -12.796 4.142 1.00 0.00 N ATOM 1063 CA GLY A 71 -5.483 -14.144 3.676 1.00 0.00 C ATOM 1064 C GLY A 71 -4.911 -15.006 4.803 1.00 0.00 C ATOM 1065 O GLY A 71 -5.357 -16.132 5.016 1.00 0.00 O ATOM 0 H GLY A 71 -5.474 -12.056 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.398 -14.597 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.777 -14.108 2.847 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.931 -14.443 5.495 1.00 0.00 N ATOM 1070 CA LEU A 72 -3.293 -15.146 6.595 1.00 0.00 C ATOM 1071 C LEU A 72 -4.321 -15.398 7.700 1.00 0.00 C ATOM 1072 O LEU A 72 -4.615 -16.546 8.029 1.00 0.00 O ATOM 1073 CB LEU A 72 -2.054 -14.385 7.071 1.00 0.00 C ATOM 1074 CG LEU A 72 -0.706 -15.044 6.772 1.00 0.00 C ATOM 1075 CD1 LEU A 72 0.425 -14.345 7.530 1.00 0.00 C ATOM 1076 CD2 LEU A 72 -0.751 -16.545 7.068 1.00 0.00 C ATOM 0 H LEU A 72 -3.564 -13.509 5.315 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.934 -16.121 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.062 -13.396 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.133 -14.239 8.148 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.500 -14.932 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.373 -14.832 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.473 -13.299 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.236 -14.405 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.220 -16.989 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.990 -16.701 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.515 -17.015 6.448 1.00 0.00 H new ATOM 1088 N TYR A 73 -4.840 -14.307 8.241 1.00 0.00 N ATOM 1089 CA TYR A 73 -5.830 -14.395 9.301 1.00 0.00 C ATOM 1090 C TYR A 73 -6.798 -15.553 9.052 1.00 0.00 C ATOM 1091 O TYR A 73 -7.139 -16.291 9.975 1.00 0.00 O ATOM 1092 CB TYR A 73 -6.608 -13.078 9.262 1.00 0.00 C ATOM 1093 CG TYR A 73 -8.007 -13.164 9.877 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -8.174 -12.993 11.236 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -9.101 -13.412 9.073 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -9.490 -13.073 11.815 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -10.416 -13.492 9.652 1.00 0.00 C ATOM 1098 CZ TYR A 73 -10.547 -13.319 10.994 1.00 0.00 C ATOM 1099 OH TYR A 73 -11.790 -13.394 11.541 1.00 0.00 O ATOM 0 H TYR A 73 -4.594 -13.356 7.965 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.348 -14.567 10.263 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.037 -12.314 9.790 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.697 -12.751 8.226 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.318 -12.799 11.865 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.970 -13.546 8.009 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.635 -12.941 12.877 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.280 -13.685 9.034 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.447 -13.573 10.836 1.00 0.00 H new ATOM 1109 N VAL A 74 -7.214 -15.677 7.800 1.00 0.00 N ATOM 1110 CA VAL A 74 -8.136 -16.733 7.418 1.00 0.00 C ATOM 1111 C VAL A 74 -7.458 -18.091 7.615 1.00 0.00 C ATOM 1112 O VAL A 74 -7.923 -18.911 8.406 1.00 0.00 O ATOM 1113 CB VAL A 74 -8.622 -16.510 5.985 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -9.433 -17.708 5.488 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -9.433 -15.217 5.877 1.00 0.00 C ATOM 0 H VAL A 74 -6.929 -15.063 7.037 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.021 -16.716 8.053 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.745 -16.411 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.766 -17.523 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.811 -18.603 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.300 -17.853 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.767 -15.082 4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.300 -15.275 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.811 -14.372 6.171 1.00 0.00 H new ATOM 1125 N MET A 75 -6.373 -18.287 6.882 1.00 0.00 N ATOM 1126 CA MET A 75 -5.627 -19.531 6.966 1.00 0.00 C ATOM 1127 C MET A 75 -5.452 -19.968 8.422 1.00 0.00 C ATOM 1128 O MET A 75 -5.746 -21.110 8.770 1.00 0.00 O ATOM 1129 CB MET A 75 -4.253 -19.348 6.318 1.00 0.00 C ATOM 1130 CG MET A 75 -3.821 -20.618 5.583 1.00 0.00 C ATOM 1131 SD MET A 75 -4.938 -20.951 4.231 1.00 0.00 S ATOM 1132 CE MET A 75 -4.633 -22.695 3.999 1.00 0.00 C ATOM 0 H MET A 75 -5.992 -17.605 6.226 1.00 0.00 H new ATOM 0 HA MET A 75 -6.186 -20.304 6.439 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.285 -18.512 5.619 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.517 -19.097 7.082 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.805 -20.502 5.206 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.810 -21.462 6.273 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.280 -23.076 3.209 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.591 -22.848 3.719 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.842 -23.227 4.927 1.00 0.00 H new ATOM 1142 N PHE A 76 -4.973 -19.035 9.232 1.00 0.00 N ATOM 1143 CA PHE A 76 -4.755 -19.310 10.643 1.00 0.00 C ATOM 1144 C PHE A 76 -6.081 -19.572 11.361 1.00 0.00 C ATOM 1145 O PHE A 76 -6.179 -20.492 12.171 1.00 0.00 O ATOM 1146 CB PHE A 76 -4.099 -18.066 11.244 1.00 0.00 C ATOM 1147 CG PHE A 76 -3.124 -18.366 12.384 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.857 -18.775 12.106 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.524 -18.224 13.676 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -0.952 -19.053 13.163 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.619 -18.501 14.734 1.00 0.00 C ATOM 1152 CZ PHE A 76 -1.352 -18.910 14.456 1.00 0.00 C ATOM 0 H PHE A 76 -4.730 -18.089 8.939 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.130 -20.195 10.758 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.568 -17.532 10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.878 -17.399 11.612 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.539 -18.888 11.080 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.530 -17.900 13.897 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.054 -19.378 12.942 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.937 -18.387 15.760 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.664 -19.121 15.261 1.00 0.00 H new ATOM 1162 N ALA A 77 -7.065 -18.746 11.039 1.00 0.00 N ATOM 1163 CA ALA A 77 -8.380 -18.877 11.644 1.00 0.00 C ATOM 1164 C ALA A 77 -8.830 -20.337 11.565 1.00 0.00 C ATOM 1165 O ALA A 77 -8.915 -21.020 12.584 1.00 0.00 O ATOM 1166 CB ALA A 77 -9.357 -17.926 10.951 1.00 0.00 C ATOM 0 H ALA A 77 -6.979 -17.983 10.367 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.348 -18.600 12.698 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.343 -18.024 11.404 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.007 -16.900 11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.418 -18.176 9.892 1.00 0.00 H new ATOM 1172 N VAL A 78 -9.106 -20.772 10.344 1.00 0.00 N ATOM 1173 CA VAL A 78 -9.545 -22.138 10.119 1.00 0.00 C ATOM 1174 C VAL A 78 -8.459 -23.104 10.597 1.00 0.00 C ATOM 1175 O VAL A 78 -8.760 -24.209 11.046 1.00 0.00 O ATOM 1176 CB VAL A 78 -9.913 -22.334 8.647 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -8.670 -22.260 7.756 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -10.660 -23.653 8.437 1.00 0.00 C ATOM 0 H VAL A 78 -9.034 -20.202 9.501 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.445 -22.349 10.696 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.581 -21.522 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.960 -22.403 6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.197 -21.284 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.967 -23.040 8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.909 -23.766 7.382 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.028 -24.483 8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.576 -23.650 9.028 1.00 0.00 H new ATOM 1188 N ALA A 79 -7.219 -22.652 10.485 1.00 0.00 N ATOM 1189 CA ALA A 79 -6.087 -23.462 10.900 1.00 0.00 C ATOM 1190 C ALA A 79 -4.838 -22.582 10.985 1.00 0.00 C ATOM 1191 O ALA A 79 -3.860 -22.947 11.634 1.00 0.00 O ATOM 1192 CB ALA A 79 -5.911 -24.630 9.928 1.00 0.00 C ATOM 0 H ALA A 79 -6.973 -21.735 10.113 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.261 -23.884 11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.061 -25.238 10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.813 -25.241 9.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.733 -24.244 8.924 1.00 0.00 H new TER 1198 ALA A 79