USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=6 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+ -148:sc= -0.0744 (180deg=-0.563) USER MOD Single : A 3 ASN : amide:sc= -0.477 X(o=-0.48,f=-0.62) USER MOD Single : A 5 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.012) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -163:sc= -0.0703 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= -0.125 K(o=-0.13,f=-2.5) USER MOD Single : A 51 THR OG1 : rot 110:sc= 0.778 USER MOD Single : A 52 GLN : amide:sc=-0.00624 X(o=-0.0062,f=0) USER MOD Single : A 57 MET CE :methyl -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 61 ASN : amide:sc= -3.85! C(o=-3.9!,f=-3.9!) 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 -131:sc= -0.0123 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.454 -34.664 2.632 1.00 0.00 N ATOM 2 CA MET A 1 -3.768 -33.426 2.308 1.00 0.00 C ATOM 3 C MET A 1 -4.576 -32.213 2.773 1.00 0.00 C ATOM 4 O MET A 1 -5.358 -31.652 2.008 1.00 0.00 O ATOM 5 CB MET A 1 -3.548 -33.343 0.796 1.00 0.00 C ATOM 6 CG MET A 1 -2.597 -34.443 0.320 1.00 0.00 C ATOM 7 SD MET A 1 -3.243 -35.211 -1.156 1.00 0.00 S ATOM 8 CE MET A 1 -2.245 -36.691 -1.199 1.00 0.00 C ATOM 0 H1 MET A 1 -3.754 -35.408 2.827 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.050 -34.521 3.472 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.050 -34.951 1.830 1.00 0.00 H new ATOM 0 HA MET A 1 -2.808 -33.420 2.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.504 -33.435 0.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.139 -32.366 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.612 -34.022 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.471 -35.190 1.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.521 -37.291 -2.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.192 -36.418 -1.267 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.412 -37.269 -0.290 1.00 0.00 H new ATOM 18 N GLU A 2 -4.359 -31.843 4.027 1.00 0.00 N ATOM 19 CA GLU A 2 -5.058 -30.707 4.604 1.00 0.00 C ATOM 20 C GLU A 2 -4.076 -29.803 5.352 1.00 0.00 C ATOM 21 O GLU A 2 -4.487 -28.899 6.078 1.00 0.00 O ATOM 22 CB GLU A 2 -6.189 -31.168 5.524 1.00 0.00 C ATOM 23 CG GLU A 2 -7.534 -31.146 4.794 1.00 0.00 C ATOM 24 CD GLU A 2 -8.697 -31.189 5.787 1.00 0.00 C ATOM 25 OE1 GLU A 2 -9.315 -30.150 6.064 1.00 0.00 O ATOM 26 OE2 GLU A 2 -8.954 -32.355 6.277 1.00 0.00 O ATOM 0 H GLU A 2 -3.709 -32.310 4.659 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.506 -30.132 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.982 -32.176 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.236 -30.521 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.606 -30.246 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.598 -31.997 4.116 1.00 0.00 H new ATOM 34 N ASN A 3 -2.795 -30.079 5.151 1.00 0.00 N ATOM 35 CA ASN A 3 -1.751 -29.303 5.797 1.00 0.00 C ATOM 36 C ASN A 3 -0.422 -29.549 5.082 1.00 0.00 C ATOM 37 O ASN A 3 0.641 -29.490 5.700 1.00 0.00 O ATOM 38 CB ASN A 3 -1.585 -29.716 7.261 1.00 0.00 C ATOM 39 CG ASN A 3 -2.486 -28.882 8.173 1.00 0.00 C ATOM 40 OD1 ASN A 3 -2.467 -27.661 8.159 1.00 0.00 O ATOM 41 ND2 ASN A 3 -3.274 -29.603 8.963 1.00 0.00 N ATOM 0 H ASN A 3 -2.457 -30.830 4.549 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.033 -28.251 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.826 -30.773 7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.544 -29.593 7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.913 -29.138 9.608 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.240 -30.622 8.925 1.00 0.00 H new ATOM 48 N LEU A 4 -0.523 -29.821 3.789 1.00 0.00 N ATOM 49 CA LEU A 4 0.659 -30.076 2.983 1.00 0.00 C ATOM 50 C LEU A 4 0.456 -29.484 1.587 1.00 0.00 C ATOM 51 O LEU A 4 1.248 -28.656 1.139 1.00 0.00 O ATOM 52 CB LEU A 4 0.989 -31.570 2.975 1.00 0.00 C ATOM 53 CG LEU A 4 2.472 -31.930 3.096 1.00 0.00 C ATOM 54 CD1 LEU A 4 3.281 -31.305 1.957 1.00 0.00 C ATOM 55 CD2 LEU A 4 3.020 -31.541 4.470 1.00 0.00 C ATOM 0 H LEU A 4 -1.405 -29.870 3.280 1.00 0.00 H new ATOM 0 HA LEU A 4 1.529 -29.583 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.452 -32.045 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.605 -32.002 2.051 1.00 0.00 H new ATOM 0 HG LEU A 4 2.571 -33.012 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.331 -31.576 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.908 -31.673 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.180 -30.220 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.075 -31.808 4.530 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.908 -30.467 4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.467 -32.071 5.246 1.00 0.00 H new ATOM 67 N ASN A 5 -0.608 -29.931 0.938 1.00 0.00 N ATOM 68 CA ASN A 5 -0.925 -29.456 -0.398 1.00 0.00 C ATOM 69 C ASN A 5 -1.715 -28.149 -0.296 1.00 0.00 C ATOM 70 O ASN A 5 -1.436 -27.194 -1.019 1.00 0.00 O ATOM 71 CB ASN A 5 -1.786 -30.470 -1.154 1.00 0.00 C ATOM 72 CG ASN A 5 -1.506 -30.414 -2.657 1.00 0.00 C ATOM 73 OD1 ASN A 5 -0.429 -30.740 -3.127 1.00 0.00 O ATOM 74 ND2 ASN A 5 -2.534 -29.983 -3.383 1.00 0.00 N ATOM 0 H ASN A 5 -1.262 -30.618 1.313 1.00 0.00 H new ATOM 0 HA ASN A 5 0.013 -29.308 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.585 -31.474 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.841 -30.266 -0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.447 -29.910 -4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.409 -29.726 -2.926 1.00 0.00 H new ATOM 81 N MET A 6 -2.684 -28.150 0.607 1.00 0.00 N ATOM 82 CA MET A 6 -3.516 -26.976 0.813 1.00 0.00 C ATOM 83 C MET A 6 -2.657 -25.733 1.063 1.00 0.00 C ATOM 84 O MET A 6 -2.693 -24.783 0.283 1.00 0.00 O ATOM 85 CB MET A 6 -4.439 -27.208 2.011 1.00 0.00 C ATOM 86 CG MET A 6 -5.874 -27.474 1.552 1.00 0.00 C ATOM 87 SD MET A 6 -6.986 -27.392 2.947 1.00 0.00 S ATOM 88 CE MET A 6 -8.259 -26.342 2.267 1.00 0.00 C ATOM 0 H MET A 6 -2.912 -28.945 1.204 1.00 0.00 H new ATOM 0 HA MET A 6 -4.109 -26.811 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.077 -28.054 2.595 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.418 -26.337 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 6 -6.166 -26.741 0.800 1.00 0.00 H new ATOM 0 HG3 MET A 6 -5.938 -28.455 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 6 -9.039 -26.187 3.012 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.827 -25.381 1.988 1.00 0.00 H new ATOM 0 HE3 MET A 6 -8.689 -26.816 1.385 1.00 0.00 H new ATOM 98 N ASP A 7 -1.907 -25.781 2.155 1.00 0.00 N ATOM 99 CA ASP A 7 -1.042 -24.671 2.517 1.00 0.00 C ATOM 100 C ASP A 7 -0.193 -24.277 1.307 1.00 0.00 C ATOM 101 O ASP A 7 -0.066 -23.095 0.993 1.00 0.00 O ATOM 102 CB ASP A 7 -0.095 -25.060 3.653 1.00 0.00 C ATOM 103 CG ASP A 7 1.180 -24.221 3.748 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.177 -23.018 3.447 1.00 0.00 O ATOM 105 OD2 ASP A 7 2.224 -24.858 4.157 1.00 0.00 O ATOM 0 H ASP A 7 -1.881 -26.571 2.800 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.672 -23.843 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.634 -24.983 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.185 -26.106 3.530 1.00 0.00 H new ATOM 111 N LEU A 8 0.367 -25.289 0.662 1.00 0.00 N ATOM 112 CA LEU A 8 1.202 -25.063 -0.505 1.00 0.00 C ATOM 113 C LEU A 8 0.439 -24.198 -1.512 1.00 0.00 C ATOM 114 O LEU A 8 0.768 -23.029 -1.706 1.00 0.00 O ATOM 115 CB LEU A 8 1.688 -26.394 -1.083 1.00 0.00 C ATOM 116 CG LEU A 8 2.269 -26.339 -2.497 1.00 0.00 C ATOM 117 CD1 LEU A 8 3.791 -26.496 -2.471 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.602 -27.375 -3.404 1.00 0.00 C ATOM 0 H LEU A 8 0.259 -26.268 0.926 1.00 0.00 H new ATOM 0 HA LEU A 8 2.102 -24.514 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.447 -26.802 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.853 -27.094 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 8 2.054 -25.356 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.179 -26.453 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.230 -25.691 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.050 -27.456 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.033 -27.315 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.765 -28.373 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.532 -27.176 -3.458 1.00 0.00 H new ATOM 130 N LEU A 9 -0.565 -24.808 -2.126 1.00 0.00 N ATOM 131 CA LEU A 9 -1.376 -24.109 -3.107 1.00 0.00 C ATOM 132 C LEU A 9 -1.645 -22.684 -2.618 1.00 0.00 C ATOM 133 O LEU A 9 -1.400 -21.719 -3.342 1.00 0.00 O ATOM 134 CB LEU A 9 -2.648 -24.902 -3.414 1.00 0.00 C ATOM 135 CG LEU A 9 -3.408 -24.489 -4.676 1.00 0.00 C ATOM 136 CD1 LEU A 9 -4.018 -25.707 -5.373 1.00 0.00 C ATOM 137 CD2 LEU A 9 -4.460 -23.424 -4.359 1.00 0.00 C ATOM 0 H LEU A 9 -0.834 -25.778 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.842 -24.027 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.383 -25.956 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.322 -24.813 -2.562 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.697 -24.043 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.552 -25.385 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.225 -26.400 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.712 -26.205 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.986 -23.148 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.173 -23.821 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.972 -22.543 -3.941 1.00 0.00 H new ATOM 149 N TYR A 10 -2.145 -22.596 -1.395 1.00 0.00 N ATOM 150 CA TYR A 10 -2.449 -21.305 -0.801 1.00 0.00 C ATOM 151 C TYR A 10 -1.295 -20.321 -1.006 1.00 0.00 C ATOM 152 O TYR A 10 -1.479 -19.256 -1.592 1.00 0.00 O ATOM 153 CB TYR A 10 -2.626 -21.561 0.697 1.00 0.00 C ATOM 154 CG TYR A 10 -3.582 -20.585 1.386 1.00 0.00 C ATOM 155 CD1 TYR A 10 -4.932 -20.629 1.105 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.095 -19.663 2.289 1.00 0.00 C ATOM 157 CE1 TYR A 10 -5.833 -19.712 1.753 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.995 -18.745 2.937 1.00 0.00 C ATOM 159 CZ TYR A 10 -5.320 -18.814 2.638 1.00 0.00 C ATOM 160 OH TYR A 10 -6.170 -17.948 3.251 1.00 0.00 O ATOM 0 H TYR A 10 -2.348 -23.398 -0.798 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.338 -20.872 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.994 -22.577 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.652 -21.503 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.313 -21.352 0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.038 -19.630 2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.892 -19.736 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.626 -18.018 3.645 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.659 -17.206 3.636 1.00 0.00 H new ATOM 170 N MET A 11 -0.130 -20.715 -0.512 1.00 0.00 N ATOM 171 CA MET A 11 1.054 -19.882 -0.633 1.00 0.00 C ATOM 172 C MET A 11 1.153 -19.270 -2.033 1.00 0.00 C ATOM 173 O MET A 11 1.390 -18.071 -2.175 1.00 0.00 O ATOM 174 CB MET A 11 2.302 -20.722 -0.353 1.00 0.00 C ATOM 175 CG MET A 11 3.414 -19.867 0.255 1.00 0.00 C ATOM 176 SD MET A 11 4.713 -20.916 0.889 1.00 0.00 S ATOM 177 CE MET A 11 6.141 -20.076 0.223 1.00 0.00 C ATOM 0 H MET A 11 0.019 -21.600 -0.027 1.00 0.00 H new ATOM 0 HA MET A 11 0.981 -19.072 0.093 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.051 -21.536 0.327 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.654 -21.177 -1.279 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.817 -19.190 -0.498 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.011 -19.248 1.057 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.046 -20.602 0.525 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.078 -20.058 -0.865 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.172 -19.054 0.602 1.00 0.00 H new ATOM 187 N ALA A 12 0.967 -20.122 -3.030 1.00 0.00 N ATOM 188 CA ALA A 12 1.032 -19.680 -4.413 1.00 0.00 C ATOM 189 C ALA A 12 0.032 -18.542 -4.628 1.00 0.00 C ATOM 190 O ALA A 12 0.381 -17.501 -5.182 1.00 0.00 O ATOM 191 CB ALA A 12 0.771 -20.869 -5.342 1.00 0.00 C ATOM 0 H ALA A 12 0.771 -21.116 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 12 2.025 -19.295 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.820 -20.538 -6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.525 -21.637 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.218 -21.280 -5.138 1.00 0.00 H new ATOM 197 N ALA A 13 -1.192 -18.779 -4.180 1.00 0.00 N ATOM 198 CA ALA A 13 -2.244 -17.787 -4.317 1.00 0.00 C ATOM 199 C ALA A 13 -1.828 -16.504 -3.593 1.00 0.00 C ATOM 200 O ALA A 13 -1.500 -15.506 -4.233 1.00 0.00 O ATOM 201 CB ALA A 13 -3.558 -18.359 -3.779 1.00 0.00 C ATOM 0 H ALA A 13 -1.479 -19.644 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.401 -17.537 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.348 -17.615 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.825 -19.252 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.438 -18.618 -2.727 1.00 0.00 H new ATOM 207 N ALA A 14 -1.853 -16.574 -2.271 1.00 0.00 N ATOM 208 CA ALA A 14 -1.482 -15.431 -1.454 1.00 0.00 C ATOM 209 C ALA A 14 -0.277 -14.729 -2.084 1.00 0.00 C ATOM 210 O ALA A 14 -0.379 -13.583 -2.518 1.00 0.00 O ATOM 211 CB ALA A 14 -1.203 -15.895 -0.023 1.00 0.00 C ATOM 0 H ALA A 14 -2.124 -17.404 -1.745 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.298 -14.710 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.925 -15.038 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.098 -16.361 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.387 -16.618 -0.027 1.00 0.00 H new ATOM 217 N VAL A 15 0.836 -15.447 -2.115 1.00 0.00 N ATOM 218 CA VAL A 15 2.059 -14.908 -2.685 1.00 0.00 C ATOM 219 C VAL A 15 1.721 -14.117 -3.952 1.00 0.00 C ATOM 220 O VAL A 15 2.092 -12.951 -4.078 1.00 0.00 O ATOM 221 CB VAL A 15 3.062 -16.035 -2.935 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.266 -15.531 -3.734 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.506 -16.675 -1.618 1.00 0.00 C ATOM 0 H VAL A 15 0.916 -16.398 -1.754 1.00 0.00 H new ATOM 0 HA VAL A 15 2.533 -14.218 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 15 2.564 -16.801 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.964 -16.352 -3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.928 -15.144 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.765 -14.737 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.219 -17.473 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.977 -15.921 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.638 -17.087 -1.103 1.00 0.00 H new ATOM 233 N MET A 16 1.020 -14.784 -4.857 1.00 0.00 N ATOM 234 CA MET A 16 0.628 -14.158 -6.108 1.00 0.00 C ATOM 235 C MET A 16 -0.073 -12.822 -5.857 1.00 0.00 C ATOM 236 O MET A 16 0.271 -11.811 -6.470 1.00 0.00 O ATOM 237 CB MET A 16 -0.313 -15.092 -6.873 1.00 0.00 C ATOM 238 CG MET A 16 -0.478 -14.635 -8.324 1.00 0.00 C ATOM 239 SD MET A 16 -1.827 -13.473 -8.447 1.00 0.00 S ATOM 240 CE MET A 16 -2.219 -13.634 -10.182 1.00 0.00 C ATOM 0 H MET A 16 0.714 -15.751 -4.749 1.00 0.00 H new ATOM 0 HA MET A 16 1.527 -13.971 -6.696 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.080 -16.108 -6.850 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.286 -15.116 -6.382 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.444 -14.173 -8.676 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.668 -15.495 -8.966 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.048 -12.971 -10.431 1.00 0.00 H new ATOM 0 HE2 MET A 16 -1.347 -13.365 -10.778 1.00 0.00 H new ATOM 0 HE3 MET A 16 -2.502 -14.665 -10.397 1.00 0.00 H new ATOM 250 N MET A 17 -1.043 -12.859 -4.955 1.00 0.00 N ATOM 251 CA MET A 17 -1.795 -11.662 -4.616 1.00 0.00 C ATOM 252 C MET A 17 -0.860 -10.533 -4.179 1.00 0.00 C ATOM 253 O MET A 17 -0.978 -9.405 -4.656 1.00 0.00 O ATOM 254 CB MET A 17 -2.776 -11.980 -3.485 1.00 0.00 C ATOM 255 CG MET A 17 -3.785 -13.044 -3.919 1.00 0.00 C ATOM 256 SD MET A 17 -4.553 -13.778 -2.484 1.00 0.00 S ATOM 257 CE MET A 17 -5.892 -12.625 -2.226 1.00 0.00 C ATOM 0 H MET A 17 -1.326 -13.698 -4.449 1.00 0.00 H new ATOM 0 HA MET A 17 -2.340 -11.334 -5.501 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.227 -12.329 -2.610 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.303 -11.073 -3.190 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.545 -12.597 -4.560 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.285 -13.813 -4.507 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.478 -12.936 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.486 -11.629 -2.050 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.531 -12.606 -3.109 1.00 0.00 H new ATOM 267 N GLY A 18 0.048 -10.875 -3.276 1.00 0.00 N ATOM 268 CA GLY A 18 1.002 -9.903 -2.768 1.00 0.00 C ATOM 269 C GLY A 18 1.711 -9.182 -3.916 1.00 0.00 C ATOM 270 O GLY A 18 1.989 -7.986 -3.825 1.00 0.00 O ATOM 0 H GLY A 18 0.143 -11.811 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.487 -9.176 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.737 -10.404 -2.139 1.00 0.00 H new ATOM 274 N LEU A 19 1.983 -9.936 -4.970 1.00 0.00 N ATOM 275 CA LEU A 19 2.654 -9.384 -6.134 1.00 0.00 C ATOM 276 C LEU A 19 1.776 -8.295 -6.754 1.00 0.00 C ATOM 277 O LEU A 19 2.110 -7.112 -6.693 1.00 0.00 O ATOM 278 CB LEU A 19 3.037 -10.496 -7.112 1.00 0.00 C ATOM 279 CG LEU A 19 3.812 -11.674 -6.517 1.00 0.00 C ATOM 280 CD1 LEU A 19 4.286 -12.629 -7.614 1.00 0.00 C ATOM 281 CD2 LEU A 19 4.970 -11.183 -5.645 1.00 0.00 C ATOM 0 H LEU A 19 1.750 -10.926 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 19 3.592 -8.912 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.125 -10.880 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.636 -10.059 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 19 3.137 -12.236 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.834 -13.457 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.424 -13.017 -8.156 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.939 -12.095 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.505 -12.039 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.652 -10.585 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.579 -10.574 -4.830 1.00 0.00 H new ATOM 293 N ALA A 20 0.670 -8.734 -7.339 1.00 0.00 N ATOM 294 CA ALA A 20 -0.258 -7.812 -7.971 1.00 0.00 C ATOM 295 C ALA A 20 -0.452 -6.591 -7.068 1.00 0.00 C ATOM 296 O ALA A 20 -0.206 -5.461 -7.485 1.00 0.00 O ATOM 297 CB ALA A 20 -1.575 -8.533 -8.264 1.00 0.00 C ATOM 0 H ALA A 20 0.397 -9.715 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 20 0.140 -7.460 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.271 -7.841 -8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.389 -9.374 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.005 -8.898 -7.331 1.00 0.00 H new ATOM 303 N ALA A 21 -0.892 -6.862 -5.847 1.00 0.00 N ATOM 304 CA ALA A 21 -1.121 -5.800 -4.882 1.00 0.00 C ATOM 305 C ALA A 21 0.081 -4.855 -4.875 1.00 0.00 C ATOM 306 O ALA A 21 -0.051 -3.674 -5.193 1.00 0.00 O ATOM 307 CB ALA A 21 -1.391 -6.412 -3.505 1.00 0.00 C ATOM 0 H ALA A 21 -1.096 -7.801 -5.505 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.998 -5.214 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.563 -5.616 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.272 -7.051 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.530 -7.005 -3.195 1.00 0.00 H new ATOM 313 N ILE A 22 1.228 -5.408 -4.509 1.00 0.00 N ATOM 314 CA ILE A 22 2.453 -4.629 -4.456 1.00 0.00 C ATOM 315 C ILE A 22 2.549 -3.753 -5.707 1.00 0.00 C ATOM 316 O ILE A 22 2.865 -2.567 -5.617 1.00 0.00 O ATOM 317 CB ILE A 22 3.662 -5.545 -4.252 1.00 0.00 C ATOM 318 CG1 ILE A 22 3.660 -6.151 -2.847 1.00 0.00 C ATOM 319 CG2 ILE A 22 4.967 -4.806 -4.556 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.452 -7.459 -2.814 1.00 0.00 C ATOM 0 H ILE A 22 1.335 -6.388 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 22 2.442 -3.959 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 22 3.588 -6.371 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.092 -5.442 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.634 -6.335 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.810 -5.479 -4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.959 -4.464 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.063 -3.948 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.435 -7.869 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.003 -8.174 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.483 -7.268 -3.111 1.00 0.00 H new ATOM 332 N GLY A 23 2.270 -4.370 -6.846 1.00 0.00 N ATOM 333 CA GLY A 23 2.321 -3.661 -8.113 1.00 0.00 C ATOM 334 C GLY A 23 1.567 -2.333 -8.030 1.00 0.00 C ATOM 335 O GLY A 23 2.174 -1.265 -8.095 1.00 0.00 O ATOM 0 H GLY A 23 2.008 -5.353 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.359 -3.477 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.888 -4.281 -8.898 1.00 0.00 H new ATOM 339 N ASP A 24 0.254 -2.442 -7.884 1.00 0.00 N ATOM 340 CA ASP A 24 -0.590 -1.264 -7.791 1.00 0.00 C ATOM 341 C ASP A 24 -0.109 -0.389 -6.631 1.00 0.00 C ATOM 342 O ASP A 24 0.251 0.770 -6.831 1.00 0.00 O ATOM 343 CB ASP A 24 -2.046 -1.649 -7.522 1.00 0.00 C ATOM 344 CG ASP A 24 -3.086 -0.795 -8.251 1.00 0.00 C ATOM 345 OD1 ASP A 24 -3.901 -0.105 -7.621 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.037 -0.859 -9.538 1.00 0.00 O ATOM 0 H ASP A 24 -0.246 -3.329 -7.828 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.529 -0.729 -8.739 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.189 -2.691 -7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.231 -1.584 -6.450 1.00 0.00 H new ATOM 352 N ALA A 25 -0.120 -0.978 -5.444 1.00 0.00 N ATOM 353 CA ALA A 25 0.309 -0.266 -4.253 1.00 0.00 C ATOM 354 C ALA A 25 1.556 0.558 -4.578 1.00 0.00 C ATOM 355 O ALA A 25 1.794 1.597 -3.965 1.00 0.00 O ATOM 356 CB ALA A 25 0.551 -1.267 -3.120 1.00 0.00 C ATOM 0 H ALA A 25 -0.419 -1.940 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.465 0.425 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.873 -0.733 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.372 -1.807 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.325 -1.975 -3.419 1.00 0.00 H new ATOM 362 N ILE A 26 2.319 0.064 -5.542 1.00 0.00 N ATOM 363 CA ILE A 26 3.534 0.743 -5.957 1.00 0.00 C ATOM 364 C ILE A 26 3.174 1.911 -6.878 1.00 0.00 C ATOM 365 O ILE A 26 3.617 3.037 -6.661 1.00 0.00 O ATOM 366 CB ILE A 26 4.517 -0.250 -6.579 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.579 -0.682 -5.565 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.141 0.321 -7.854 1.00 0.00 C ATOM 369 CD1 ILE A 26 6.855 -1.142 -6.270 1.00 0.00 C ATOM 0 H ILE A 26 2.119 -0.799 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 26 4.047 1.166 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 26 3.963 -1.144 -6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.808 0.148 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.189 -1.491 -4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.836 -0.405 -8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.356 0.535 -8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.677 1.240 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.593 -1.443 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.627 -1.988 -6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.256 -0.323 -6.868 1.00 0.00 H new ATOM 381 N GLY A 27 2.372 1.601 -7.885 1.00 0.00 N ATOM 382 CA GLY A 27 1.946 2.610 -8.841 1.00 0.00 C ATOM 383 C GLY A 27 1.741 3.963 -8.155 1.00 0.00 C ATOM 384 O GLY A 27 2.168 4.995 -8.669 1.00 0.00 O ATOM 0 H GLY A 27 2.005 0.665 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.692 2.707 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.018 2.296 -9.318 1.00 0.00 H new ATOM 388 N ILE A 28 1.086 3.912 -7.003 1.00 0.00 N ATOM 389 CA ILE A 28 0.820 5.120 -6.242 1.00 0.00 C ATOM 390 C ILE A 28 2.103 5.568 -5.537 1.00 0.00 C ATOM 391 O ILE A 28 2.499 6.728 -5.638 1.00 0.00 O ATOM 392 CB ILE A 28 -0.361 4.906 -5.292 1.00 0.00 C ATOM 393 CG1 ILE A 28 -1.307 3.829 -5.828 1.00 0.00 C ATOM 394 CG2 ILE A 28 -1.089 6.223 -5.015 1.00 0.00 C ATOM 395 CD1 ILE A 28 -1.050 2.484 -5.145 1.00 0.00 C ATOM 0 H ILE A 28 0.733 3.054 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 28 0.522 5.931 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 28 0.028 4.548 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.341 4.133 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.173 3.726 -6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.923 6.042 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.398 6.932 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.465 6.635 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.735 1.736 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.023 2.171 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.208 2.585 -4.071 1.00 0.00 H new ATOM 407 N GLY A 29 2.716 4.624 -4.838 1.00 0.00 N ATOM 408 CA GLY A 29 3.945 4.906 -4.117 1.00 0.00 C ATOM 409 C GLY A 29 4.918 5.707 -4.985 1.00 0.00 C ATOM 410 O GLY A 29 5.406 6.756 -4.569 1.00 0.00 O ATOM 0 H GLY A 29 2.384 3.663 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.718 5.464 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.412 3.971 -3.808 1.00 0.00 H new ATOM 414 N ILE A 30 5.171 5.181 -6.174 1.00 0.00 N ATOM 415 CA ILE A 30 6.077 5.833 -7.104 1.00 0.00 C ATOM 416 C ILE A 30 5.469 7.164 -7.552 1.00 0.00 C ATOM 417 O ILE A 30 6.192 8.121 -7.824 1.00 0.00 O ATOM 418 CB ILE A 30 6.425 4.895 -8.261 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.621 4.009 -7.908 1.00 0.00 C ATOM 420 CG2 ILE A 30 6.656 5.681 -9.554 1.00 0.00 C ATOM 421 CD1 ILE A 30 7.314 3.133 -6.691 1.00 0.00 C ATOM 0 H ILE A 30 4.764 4.310 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 30 7.024 6.063 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 30 5.575 4.235 -8.433 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.875 3.378 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.491 4.632 -7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.902 4.990 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.752 6.232 -9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.479 6.381 -9.412 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.180 2.513 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.084 3.767 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.458 2.494 -6.909 1.00 0.00 H new ATOM 433 N LEU A 31 4.146 7.181 -7.617 1.00 0.00 N ATOM 434 CA LEU A 31 3.432 8.379 -8.028 1.00 0.00 C ATOM 435 C LEU A 31 3.789 9.530 -7.084 1.00 0.00 C ATOM 436 O LEU A 31 4.072 10.639 -7.533 1.00 0.00 O ATOM 437 CB LEU A 31 1.930 8.102 -8.120 1.00 0.00 C ATOM 438 CG LEU A 31 1.247 8.532 -9.420 1.00 0.00 C ATOM 439 CD1 LEU A 31 -0.168 7.959 -9.511 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.260 10.055 -9.567 1.00 0.00 C ATOM 0 H LEU A 31 3.549 6.385 -7.392 1.00 0.00 H new ATOM 0 HA LEU A 31 3.739 8.681 -9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.769 7.032 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.436 8.606 -7.289 1.00 0.00 H new ATOM 0 HG LEU A 31 1.814 8.123 -10.256 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.631 8.280 -10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.122 6.870 -9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.761 8.318 -8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.769 10.335 -10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.730 10.506 -8.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.290 10.411 -9.579 1.00 0.00 H new ATOM 452 N GLY A 32 3.764 9.224 -5.796 1.00 0.00 N ATOM 453 CA GLY A 32 4.082 10.219 -4.785 1.00 0.00 C ATOM 454 C GLY A 32 5.404 10.920 -5.102 1.00 0.00 C ATOM 455 O GLY A 32 5.533 12.128 -4.911 1.00 0.00 O ATOM 0 H GLY A 32 3.529 8.302 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.280 10.955 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.145 9.742 -3.807 1.00 0.00 H new ATOM 459 N GLY A 33 6.355 10.132 -5.581 1.00 0.00 N ATOM 460 CA GLY A 33 7.664 10.660 -5.927 1.00 0.00 C ATOM 461 C GLY A 33 7.601 11.477 -7.219 1.00 0.00 C ATOM 462 O GLY A 33 8.189 12.555 -7.305 1.00 0.00 O ATOM 0 H GLY A 33 6.245 9.130 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.034 11.285 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.372 9.839 -6.045 1.00 0.00 H new ATOM 466 N LYS A 34 6.884 10.934 -8.190 1.00 0.00 N ATOM 467 CA LYS A 34 6.736 11.598 -9.474 1.00 0.00 C ATOM 468 C LYS A 34 5.872 12.850 -9.300 1.00 0.00 C ATOM 469 O LYS A 34 5.739 13.650 -10.223 1.00 0.00 O ATOM 470 CB LYS A 34 6.201 10.623 -10.525 1.00 0.00 C ATOM 471 CG LYS A 34 7.181 10.482 -11.691 1.00 0.00 C ATOM 472 CD LYS A 34 7.179 9.055 -12.240 1.00 0.00 C ATOM 473 CE LYS A 34 7.762 9.010 -13.653 1.00 0.00 C ATOM 474 NZ LYS A 34 7.837 7.614 -14.139 1.00 0.00 N ATOM 0 H LYS A 34 6.398 10.040 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 34 7.706 11.928 -9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.031 9.648 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.238 10.974 -10.895 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.912 11.180 -12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.185 10.747 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.760 8.408 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.160 8.667 -12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.144 9.603 -14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.756 9.456 -13.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.235 7.602 -15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.446 7.058 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.883 7.200 -14.154 1.00 0.00 H new ATOM 488 N PHE A 35 5.306 12.977 -8.108 1.00 0.00 N ATOM 489 CA PHE A 35 4.459 14.117 -7.801 1.00 0.00 C ATOM 490 C PHE A 35 5.263 15.236 -7.139 1.00 0.00 C ATOM 491 O PHE A 35 4.958 16.414 -7.316 1.00 0.00 O ATOM 492 CB PHE A 35 3.388 13.627 -6.823 1.00 0.00 C ATOM 493 CG PHE A 35 2.079 14.416 -6.887 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.490 14.658 -8.088 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.504 14.874 -5.742 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.274 15.390 -8.148 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.288 15.606 -5.803 1.00 0.00 C ATOM 498 CZ PHE A 35 -0.301 15.848 -7.004 1.00 0.00 C ATOM 0 H PHE A 35 5.417 12.310 -7.344 1.00 0.00 H new ATOM 0 HA PHE A 35 4.023 14.514 -8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.178 12.577 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.784 13.682 -5.809 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.946 14.294 -8.997 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.972 14.681 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.194 15.583 -9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.169 15.970 -4.895 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.226 16.404 -7.050 1.00 0.00 H new ATOM 508 N LEU A 36 6.277 14.829 -6.389 1.00 0.00 N ATOM 509 CA LEU A 36 7.128 15.783 -5.700 1.00 0.00 C ATOM 510 C LEU A 36 7.698 16.778 -6.713 1.00 0.00 C ATOM 511 O LEU A 36 7.524 17.987 -6.567 1.00 0.00 O ATOM 512 CB LEU A 36 8.199 15.055 -4.884 1.00 0.00 C ATOM 513 CG LEU A 36 8.054 15.133 -3.363 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.121 14.287 -2.666 1.00 0.00 C ATOM 515 CD2 LEU A 36 8.070 16.586 -2.885 1.00 0.00 C ATOM 0 H LEU A 36 6.528 13.851 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 36 6.547 16.359 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.198 14.005 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.173 15.460 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 36 7.085 14.715 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.995 14.360 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.018 13.246 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.111 14.651 -2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.965 16.613 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.013 17.053 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.243 17.129 -3.343 1.00 0.00 H new ATOM 527 N GLU A 37 8.367 16.232 -7.718 1.00 0.00 N ATOM 528 CA GLU A 37 8.962 17.057 -8.756 1.00 0.00 C ATOM 529 C GLU A 37 7.912 17.993 -9.358 1.00 0.00 C ATOM 530 O GLU A 37 8.179 19.174 -9.571 1.00 0.00 O ATOM 531 CB GLU A 37 9.612 16.191 -9.839 1.00 0.00 C ATOM 532 CG GLU A 37 11.047 16.643 -10.115 1.00 0.00 C ATOM 533 CD GLU A 37 12.054 15.730 -9.413 1.00 0.00 C ATOM 534 OE1 GLU A 37 12.358 14.640 -9.917 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.527 16.191 -8.305 1.00 0.00 O ATOM 0 H GLU A 37 8.510 15.229 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 37 9.746 17.666 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.610 15.147 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.026 16.249 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.233 16.638 -11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.181 17.669 -9.773 1.00 0.00 H new ATOM 543 N GLY A 38 6.742 17.428 -9.616 1.00 0.00 N ATOM 544 CA GLY A 38 5.651 18.198 -10.189 1.00 0.00 C ATOM 545 C GLY A 38 5.207 19.313 -9.240 1.00 0.00 C ATOM 546 O GLY A 38 5.063 20.463 -9.652 1.00 0.00 O ATOM 0 H GLY A 38 6.526 16.447 -9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.966 18.629 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.809 17.539 -10.401 1.00 0.00 H new ATOM 550 N ALA A 39 5.005 18.934 -7.987 1.00 0.00 N ATOM 551 CA ALA A 39 4.581 19.887 -6.976 1.00 0.00 C ATOM 552 C ALA A 39 5.788 20.710 -6.518 1.00 0.00 C ATOM 553 O ALA A 39 5.653 21.610 -5.692 1.00 0.00 O ATOM 554 CB ALA A 39 3.913 19.141 -5.819 1.00 0.00 C ATOM 0 H ALA A 39 5.127 17.980 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 39 3.846 20.579 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.595 19.856 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.045 18.596 -6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.622 18.439 -5.381 1.00 0.00 H new ATOM 560 N ALA A 40 6.940 20.371 -7.077 1.00 0.00 N ATOM 561 CA ALA A 40 8.170 21.067 -6.737 1.00 0.00 C ATOM 562 C ALA A 40 8.090 22.509 -7.242 1.00 0.00 C ATOM 563 O ALA A 40 8.900 23.351 -6.856 1.00 0.00 O ATOM 564 CB ALA A 40 9.364 20.309 -7.325 1.00 0.00 C ATOM 0 H ALA A 40 7.048 19.624 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 40 8.306 21.103 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.287 20.830 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.392 19.300 -6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.264 20.257 -8.409 1.00 0.00 H new ATOM 570 N ARG A 41 7.106 22.751 -8.095 1.00 0.00 N ATOM 571 CA ARG A 41 6.910 24.077 -8.655 1.00 0.00 C ATOM 572 C ARG A 41 5.788 24.806 -7.912 1.00 0.00 C ATOM 573 O ARG A 41 5.491 25.962 -8.210 1.00 0.00 O ATOM 574 CB ARG A 41 6.561 24.000 -10.143 1.00 0.00 C ATOM 575 CG ARG A 41 7.828 23.991 -11.003 1.00 0.00 C ATOM 576 CD ARG A 41 7.511 23.573 -12.440 1.00 0.00 C ATOM 577 NE ARG A 41 7.378 24.772 -13.297 1.00 0.00 N ATOM 578 CZ ARG A 41 7.105 24.732 -14.619 1.00 0.00 C ATOM 579 NH1 ARG A 41 6.934 23.549 -15.246 1.00 0.00 N ATOM 580 NH2 ARG A 41 7.009 25.865 -15.287 1.00 0.00 N ATOM 0 H ARG A 41 6.436 22.051 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 41 7.844 24.627 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.978 23.100 -10.338 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.936 24.850 -10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.281 24.982 -11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.559 23.305 -10.574 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.302 22.928 -12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.588 22.994 -12.464 1.00 0.00 H new ATOM 0 HE ARG A 41 7.500 25.686 -12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.011 22.678 -14.721 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.728 23.526 -16.245 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.140 26.754 -14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.803 25.852 -16.286 1.00 0.00 H new ATOM 594 N GLN A 42 5.195 24.099 -6.962 1.00 0.00 N ATOM 595 CA GLN A 42 4.112 24.664 -6.174 1.00 0.00 C ATOM 596 C GLN A 42 4.533 24.795 -4.710 1.00 0.00 C ATOM 597 O GLN A 42 4.547 23.809 -3.973 1.00 0.00 O ATOM 598 CB GLN A 42 2.841 23.824 -6.307 1.00 0.00 C ATOM 599 CG GLN A 42 2.591 23.435 -7.765 1.00 0.00 C ATOM 600 CD GLN A 42 2.061 24.625 -8.567 1.00 0.00 C ATOM 601 OE1 GLN A 42 1.971 25.741 -8.084 1.00 0.00 O ATOM 602 NE2 GLN A 42 1.720 24.326 -9.817 1.00 0.00 N ATOM 0 H GLN A 42 5.444 23.140 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 42 3.891 25.660 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.930 22.925 -5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.988 24.385 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.517 23.074 -8.213 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.875 22.615 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.821 23.370 -10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.358 25.053 -10.435 1.00 0.00 H new ATOM 611 N PRO A 43 4.874 26.053 -4.319 1.00 0.00 N ATOM 612 CA PRO A 43 5.294 26.325 -2.955 1.00 0.00 C ATOM 613 C PRO A 43 4.098 26.316 -2.001 1.00 0.00 C ATOM 614 O PRO A 43 4.256 26.525 -0.799 1.00 0.00 O ATOM 615 CB PRO A 43 5.993 27.674 -3.020 1.00 0.00 C ATOM 616 CG PRO A 43 5.532 28.319 -4.317 1.00 0.00 C ATOM 617 CD PRO A 43 4.869 27.244 -5.163 1.00 0.00 C ATOM 0 HA PRO A 43 5.966 25.562 -2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.730 28.292 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.076 27.554 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.832 29.129 -4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.378 28.755 -4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.854 27.528 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.417 27.075 -6.090 1.00 0.00 H new ATOM 625 N ASP A 44 2.929 26.073 -2.573 1.00 0.00 N ATOM 626 CA ASP A 44 1.706 26.034 -1.787 1.00 0.00 C ATOM 627 C ASP A 44 1.062 24.652 -1.922 1.00 0.00 C ATOM 628 O ASP A 44 -0.093 24.462 -1.544 1.00 0.00 O ATOM 629 CB ASP A 44 0.700 27.074 -2.283 1.00 0.00 C ATOM 630 CG ASP A 44 0.454 28.243 -1.328 1.00 0.00 C ATOM 631 OD1 ASP A 44 1.019 28.296 -0.225 1.00 0.00 O ATOM 632 OD2 ASP A 44 -0.369 29.138 -1.762 1.00 0.00 O ATOM 0 H ASP A 44 2.801 25.901 -3.570 1.00 0.00 H new ATOM 0 HA ASP A 44 1.964 26.247 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.050 27.471 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.250 26.575 -2.475 1.00 0.00 H new ATOM 638 N LEU A 45 1.838 23.723 -2.461 1.00 0.00 N ATOM 639 CA LEU A 45 1.357 22.365 -2.651 1.00 0.00 C ATOM 640 C LEU A 45 2.412 21.381 -2.139 1.00 0.00 C ATOM 641 O LEU A 45 2.317 20.180 -2.389 1.00 0.00 O ATOM 642 CB LEU A 45 0.958 22.136 -4.109 1.00 0.00 C ATOM 643 CG LEU A 45 -0.517 21.815 -4.358 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.129 22.796 -5.362 1.00 0.00 C ATOM 645 CD2 LEU A 45 -0.696 20.361 -4.797 1.00 0.00 C ATOM 0 H LEU A 45 2.796 23.884 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 45 0.451 22.196 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.217 23.028 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.559 21.318 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.056 21.936 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.178 22.546 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.053 23.811 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.592 22.730 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.754 20.160 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.141 20.188 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.321 19.697 -4.018 1.00 0.00 H new ATOM 657 N ILE A 46 3.392 21.926 -1.433 1.00 0.00 N ATOM 658 CA ILE A 46 4.462 21.111 -0.886 1.00 0.00 C ATOM 659 C ILE A 46 3.947 20.361 0.345 1.00 0.00 C ATOM 660 O ILE A 46 4.078 19.141 0.433 1.00 0.00 O ATOM 661 CB ILE A 46 5.700 21.966 -0.611 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.701 21.868 -1.764 1.00 0.00 C ATOM 663 CG2 ILE A 46 6.334 21.599 0.732 1.00 0.00 C ATOM 664 CD1 ILE A 46 7.215 20.436 -1.923 1.00 0.00 C ATOM 0 H ILE A 46 3.467 22.922 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 46 4.777 20.359 -1.610 1.00 0.00 H new ATOM 0 HB ILE A 46 5.387 23.008 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.227 22.193 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.539 22.541 -1.581 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.212 22.222 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.612 21.763 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.630 20.550 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.925 20.394 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.709 20.123 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.378 19.770 -2.130 1.00 0.00 H new ATOM 676 N PRO A 47 3.358 21.143 1.290 1.00 0.00 N ATOM 677 CA PRO A 47 2.824 20.566 2.511 1.00 0.00 C ATOM 678 C PRO A 47 1.505 19.837 2.243 1.00 0.00 C ATOM 679 O PRO A 47 0.927 19.238 3.148 1.00 0.00 O ATOM 680 CB PRO A 47 2.670 21.739 3.465 1.00 0.00 C ATOM 681 CG PRO A 47 2.683 22.986 2.599 1.00 0.00 C ATOM 682 CD PRO A 47 3.187 22.591 1.220 1.00 0.00 C ATOM 0 HA PRO A 47 3.478 19.805 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.740 21.665 4.028 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.482 21.760 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.683 23.414 2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.327 23.748 3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.475 22.869 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.127 23.090 0.984 1.00 0.00 H new ATOM 690 N LEU A 48 1.069 19.913 0.994 1.00 0.00 N ATOM 691 CA LEU A 48 -0.171 19.268 0.594 1.00 0.00 C ATOM 692 C LEU A 48 0.147 17.914 -0.045 1.00 0.00 C ATOM 693 O LEU A 48 -0.226 16.870 0.488 1.00 0.00 O ATOM 694 CB LEU A 48 -0.992 20.194 -0.304 1.00 0.00 C ATOM 695 CG LEU A 48 -2.304 20.713 0.287 1.00 0.00 C ATOM 696 CD1 LEU A 48 -2.321 22.242 0.328 1.00 0.00 C ATOM 697 CD2 LEU A 48 -3.508 20.147 -0.470 1.00 0.00 C ATOM 0 H LEU A 48 1.552 20.411 0.246 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.796 19.071 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.373 21.051 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.218 19.663 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.376 20.363 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.265 22.584 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.496 22.599 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.215 22.634 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.428 20.532 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.453 20.447 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.501 19.059 -0.403 1.00 0.00 H new ATOM 709 N LEU A 49 0.830 17.977 -1.177 1.00 0.00 N ATOM 710 CA LEU A 49 1.202 16.769 -1.895 1.00 0.00 C ATOM 711 C LEU A 49 2.021 15.864 -0.972 1.00 0.00 C ATOM 712 O LEU A 49 2.035 14.646 -1.143 1.00 0.00 O ATOM 713 CB LEU A 49 1.916 17.120 -3.202 1.00 0.00 C ATOM 714 CG LEU A 49 3.442 17.028 -3.179 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.021 17.824 -2.007 1.00 0.00 C ATOM 716 CD2 LEU A 49 3.904 15.569 -3.164 1.00 0.00 C ATOM 0 H LEU A 49 1.136 18.845 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 49 0.312 16.210 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.544 16.459 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.637 18.136 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 49 3.825 17.477 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.108 17.742 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.735 18.872 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.633 17.426 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.993 15.532 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.511 15.072 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.537 15.062 -4.056 1.00 0.00 H new ATOM 728 N ARG A 50 2.682 16.495 -0.013 1.00 0.00 N ATOM 729 CA ARG A 50 3.501 15.762 0.938 1.00 0.00 C ATOM 730 C ARG A 50 2.616 15.040 1.956 1.00 0.00 C ATOM 731 O ARG A 50 2.569 13.811 1.982 1.00 0.00 O ATOM 732 CB ARG A 50 4.458 16.699 1.677 1.00 0.00 C ATOM 733 CG ARG A 50 5.297 15.929 2.700 1.00 0.00 C ATOM 734 CD ARG A 50 5.338 16.666 4.041 1.00 0.00 C ATOM 735 NE ARG A 50 5.832 18.048 3.844 1.00 0.00 N ATOM 736 CZ ARG A 50 7.106 18.357 3.522 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.026 17.384 3.356 1.00 0.00 N ATOM 738 NH2 ARG A 50 7.438 19.626 3.371 1.00 0.00 N ATOM 0 H ARG A 50 2.667 17.505 0.126 1.00 0.00 H new ATOM 0 HA ARG A 50 4.086 15.032 0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.114 17.193 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.890 17.481 2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.880 14.932 2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.311 15.800 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.343 16.687 4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.987 16.135 4.738 1.00 0.00 H new ATOM 0 HE ARG A 50 5.168 18.814 3.959 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.761 16.406 3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.986 17.626 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.736 20.355 3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.396 19.877 3.128 1.00 0.00 H new ATOM 752 N THR A 51 1.935 15.834 2.768 1.00 0.00 N ATOM 753 CA THR A 51 1.054 15.287 3.786 1.00 0.00 C ATOM 754 C THR A 51 0.216 14.146 3.206 1.00 0.00 C ATOM 755 O THR A 51 0.017 13.123 3.861 1.00 0.00 O ATOM 756 CB THR A 51 0.213 16.434 4.349 1.00 0.00 C ATOM 757 OG1 THR A 51 1.146 17.221 5.083 1.00 0.00 O ATOM 758 CG2 THR A 51 -0.788 15.961 5.406 1.00 0.00 C ATOM 0 H THR A 51 1.975 16.853 2.742 1.00 0.00 H new ATOM 0 HA THR A 51 1.621 14.848 4.607 1.00 0.00 H new ATOM 0 HB THR A 51 -0.322 16.925 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.295 18.070 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.359 16.813 5.773 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.467 15.232 4.964 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.251 15.500 6.235 1.00 0.00 H new ATOM 766 N GLN A 52 -0.252 14.359 1.986 1.00 0.00 N ATOM 767 CA GLN A 52 -1.065 13.361 1.311 1.00 0.00 C ATOM 768 C GLN A 52 -0.223 12.126 0.981 1.00 0.00 C ATOM 769 O GLN A 52 -0.619 11.002 1.283 1.00 0.00 O ATOM 770 CB GLN A 52 -1.708 13.939 0.049 1.00 0.00 C ATOM 771 CG GLN A 52 -3.141 14.402 0.327 1.00 0.00 C ATOM 772 CD GLN A 52 -4.138 13.668 -0.572 1.00 0.00 C ATOM 773 OE1 GLN A 52 -5.009 12.946 -0.116 1.00 0.00 O ATOM 774 NE2 GLN A 52 -3.961 13.892 -1.871 1.00 0.00 N ATOM 0 H GLN A 52 -0.084 15.208 1.446 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.869 13.060 1.983 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.115 14.778 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.712 13.186 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.389 14.222 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.219 15.476 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.211 14.508 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.575 13.447 -2.553 1.00 0.00 H new ATOM 783 N PHE A 53 0.922 12.378 0.365 1.00 0.00 N ATOM 784 CA PHE A 53 1.823 11.302 -0.010 1.00 0.00 C ATOM 785 C PHE A 53 2.092 10.374 1.176 1.00 0.00 C ATOM 786 O PHE A 53 2.083 9.153 1.030 1.00 0.00 O ATOM 787 CB PHE A 53 3.138 11.950 -0.444 1.00 0.00 C ATOM 788 CG PHE A 53 4.310 10.971 -0.552 1.00 0.00 C ATOM 789 CD1 PHE A 53 4.190 9.849 -1.311 1.00 0.00 C ATOM 790 CD2 PHE A 53 5.470 11.222 0.112 1.00 0.00 C ATOM 791 CE1 PHE A 53 5.276 8.939 -1.411 1.00 0.00 C ATOM 792 CE2 PHE A 53 6.556 10.312 0.013 1.00 0.00 C ATOM 793 CZ PHE A 53 6.437 9.191 -0.747 1.00 0.00 C ATOM 0 H PHE A 53 1.247 13.312 0.116 1.00 0.00 H new ATOM 0 HA PHE A 53 1.380 10.707 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.991 12.433 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.397 12.734 0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.269 9.650 -1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.565 12.113 0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.181 8.048 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.477 10.511 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.264 8.500 -0.824 1.00 0.00 H new ATOM 803 N PHE A 54 2.327 10.990 2.326 1.00 0.00 N ATOM 804 CA PHE A 54 2.599 10.234 3.538 1.00 0.00 C ATOM 805 C PHE A 54 1.453 9.272 3.852 1.00 0.00 C ATOM 806 O PHE A 54 1.672 8.072 4.014 1.00 0.00 O ATOM 807 CB PHE A 54 2.725 11.248 4.678 1.00 0.00 C ATOM 808 CG PHE A 54 3.653 10.800 5.808 1.00 0.00 C ATOM 809 CD1 PHE A 54 5.000 10.826 5.633 1.00 0.00 C ATOM 810 CD2 PHE A 54 3.129 10.376 6.990 1.00 0.00 C ATOM 811 CE1 PHE A 54 5.862 10.409 6.683 1.00 0.00 C ATOM 812 CE2 PHE A 54 3.989 9.960 8.040 1.00 0.00 C ATOM 813 CZ PHE A 54 5.338 9.986 7.864 1.00 0.00 C ATOM 0 H PHE A 54 2.335 12.003 2.444 1.00 0.00 H new ATOM 0 HA PHE A 54 3.508 9.646 3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.091 12.191 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.735 11.441 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.416 11.164 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.058 10.356 7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.933 10.428 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.573 9.623 8.978 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.993 9.670 8.663 1.00 0.00 H new ATOM 823 N ILE A 55 0.255 9.832 3.929 1.00 0.00 N ATOM 824 CA ILE A 55 -0.926 9.037 4.221 1.00 0.00 C ATOM 825 C ILE A 55 -1.131 8.009 3.107 1.00 0.00 C ATOM 826 O ILE A 55 -1.659 6.925 3.349 1.00 0.00 O ATOM 827 CB ILE A 55 -2.137 9.943 4.453 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.136 10.507 5.875 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.440 9.210 4.129 1.00 0.00 C ATOM 830 CD1 ILE A 55 -2.402 12.013 5.868 1.00 0.00 C ATOM 0 H ILE A 55 0.076 10.827 3.794 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.791 8.480 5.148 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.065 10.790 3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.897 10.003 6.471 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.175 10.306 6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.285 9.876 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.432 8.898 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.533 8.332 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.396 12.388 6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.626 12.517 5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.374 12.209 5.416 1.00 0.00 H new ATOM 842 N VAL A 56 -0.704 8.386 1.911 1.00 0.00 N ATOM 843 CA VAL A 56 -0.835 7.510 0.759 1.00 0.00 C ATOM 844 C VAL A 56 0.125 6.327 0.912 1.00 0.00 C ATOM 845 O VAL A 56 -0.202 5.206 0.530 1.00 0.00 O ATOM 846 CB VAL A 56 -0.608 8.303 -0.530 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.397 7.365 -1.720 1.00 0.00 C ATOM 848 CG2 VAL A 56 -1.765 9.268 -0.791 1.00 0.00 C ATOM 0 H VAL A 56 -0.267 9.286 1.715 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.845 7.104 0.700 1.00 0.00 H new ATOM 0 HB VAL A 56 0.299 8.894 -0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.238 7.954 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.475 6.737 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.278 6.735 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.578 9.819 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.694 8.705 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.849 9.969 0.040 1.00 0.00 H new ATOM 858 N MET A 57 1.291 6.621 1.469 1.00 0.00 N ATOM 859 CA MET A 57 2.300 5.597 1.676 1.00 0.00 C ATOM 860 C MET A 57 1.768 4.476 2.570 1.00 0.00 C ATOM 861 O MET A 57 1.916 3.297 2.249 1.00 0.00 O ATOM 862 CB MET A 57 3.536 6.223 2.324 1.00 0.00 C ATOM 863 CG MET A 57 4.627 6.485 1.284 1.00 0.00 C ATOM 864 SD MET A 57 5.820 5.157 1.301 1.00 0.00 S ATOM 865 CE MET A 57 6.623 5.441 -0.267 1.00 0.00 C ATOM 0 H MET A 57 1.559 7.554 1.783 1.00 0.00 H new ATOM 0 HA MET A 57 2.562 5.171 0.708 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.261 7.158 2.811 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.920 5.560 3.100 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.182 6.572 0.293 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.122 7.433 1.496 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.341 4.643 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.876 5.455 -1.061 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.143 6.398 -0.241 1.00 0.00 H new ATOM 875 N GLY A 58 1.158 4.881 3.675 1.00 0.00 N ATOM 876 CA GLY A 58 0.603 3.925 4.617 1.00 0.00 C ATOM 877 C GLY A 58 -0.493 3.082 3.962 1.00 0.00 C ATOM 878 O GLY A 58 -0.354 1.866 3.838 1.00 0.00 O ATOM 0 H GLY A 58 1.036 5.859 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.394 3.274 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.194 4.453 5.478 1.00 0.00 H new ATOM 882 N LEU A 59 -1.557 3.761 3.560 1.00 0.00 N ATOM 883 CA LEU A 59 -2.676 3.090 2.921 1.00 0.00 C ATOM 884 C LEU A 59 -2.148 2.148 1.838 1.00 0.00 C ATOM 885 O LEU A 59 -2.599 1.009 1.727 1.00 0.00 O ATOM 886 CB LEU A 59 -3.690 4.113 2.406 1.00 0.00 C ATOM 887 CG LEU A 59 -3.403 4.707 1.025 1.00 0.00 C ATOM 888 CD1 LEU A 59 -3.868 3.762 -0.085 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.018 6.100 0.888 1.00 0.00 C ATOM 0 H LEU A 59 -1.668 4.770 3.664 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.216 2.476 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.672 3.640 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.749 4.930 3.125 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.324 4.821 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.653 4.208 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.342 2.811 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.941 3.593 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.799 6.499 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.098 6.036 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.596 6.760 1.646 1.00 0.00 H new ATOM 901 N VAL A 60 -1.200 2.658 1.065 1.00 0.00 N ATOM 902 CA VAL A 60 -0.606 1.876 -0.005 1.00 0.00 C ATOM 903 C VAL A 60 -0.033 0.580 0.572 1.00 0.00 C ATOM 904 O VAL A 60 -0.264 -0.500 0.032 1.00 0.00 O ATOM 905 CB VAL A 60 0.438 2.713 -0.747 1.00 0.00 C ATOM 906 CG1 VAL A 60 1.524 1.821 -1.354 1.00 0.00 C ATOM 907 CG2 VAL A 60 -0.218 3.585 -1.818 1.00 0.00 C ATOM 0 H VAL A 60 -0.829 3.603 1.159 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.362 1.598 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 60 0.913 3.375 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.254 2.440 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.022 1.263 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.070 1.123 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.547 4.169 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.733 2.950 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.936 4.258 -1.350 1.00 0.00 H new ATOM 917 N ASN A 61 0.703 0.731 1.664 1.00 0.00 N ATOM 918 CA ASN A 61 1.310 -0.415 2.321 1.00 0.00 C ATOM 919 C ASN A 61 0.233 -1.191 3.081 1.00 0.00 C ATOM 920 O ASN A 61 0.513 -2.235 3.667 1.00 0.00 O ATOM 921 CB ASN A 61 2.373 0.028 3.328 1.00 0.00 C ATOM 922 CG ASN A 61 3.279 1.106 2.730 1.00 0.00 C ATOM 923 OD1 ASN A 61 3.642 2.077 3.375 1.00 0.00 O ATOM 924 ND2 ASN A 61 3.625 0.882 1.466 1.00 0.00 N ATOM 0 H ASN A 61 0.893 1.629 2.110 1.00 0.00 H new ATOM 0 HA ASN A 61 1.775 -1.036 1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.890 0.411 4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.973 -0.830 3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.229 1.543 0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.286 0.049 0.984 1.00 0.00 H new ATOM 931 N ALA A 62 -0.977 -0.653 3.044 1.00 0.00 N ATOM 932 CA ALA A 62 -2.098 -1.283 3.722 1.00 0.00 C ATOM 933 C ALA A 62 -2.790 -2.251 2.761 1.00 0.00 C ATOM 934 O ALA A 62 -3.419 -3.216 3.193 1.00 0.00 O ATOM 935 CB ALA A 62 -3.047 -0.204 4.249 1.00 0.00 C ATOM 0 H ALA A 62 -1.206 0.212 2.555 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.754 -1.861 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.888 -0.676 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.514 0.439 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.416 0.394 3.416 1.00 0.00 H new ATOM 941 N ILE A 63 -2.652 -1.959 1.476 1.00 0.00 N ATOM 942 CA ILE A 63 -3.257 -2.792 0.450 1.00 0.00 C ATOM 943 C ILE A 63 -2.735 -4.223 0.587 1.00 0.00 C ATOM 944 O ILE A 63 -3.517 -5.165 0.699 1.00 0.00 O ATOM 945 CB ILE A 63 -3.030 -2.184 -0.936 1.00 0.00 C ATOM 946 CG1 ILE A 63 -4.250 -1.379 -1.389 1.00 0.00 C ATOM 947 CG2 ILE A 63 -2.646 -3.263 -1.951 1.00 0.00 C ATOM 948 CD1 ILE A 63 -4.072 -0.873 -2.822 1.00 0.00 C ATOM 0 H ILE A 63 -2.130 -1.157 1.122 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.338 -2.833 0.581 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.193 -1.489 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.143 -2.000 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.402 -0.534 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.490 -2.805 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.727 -3.754 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.446 -4.000 -2.019 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.953 -0.304 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.192 -0.232 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.944 -1.721 -3.494 1.00 0.00 H new ATOM 960 N PRO A 64 -1.380 -4.344 0.573 1.00 0.00 N ATOM 961 CA PRO A 64 -0.744 -5.645 0.695 1.00 0.00 C ATOM 962 C PRO A 64 -0.808 -6.154 2.136 1.00 0.00 C ATOM 963 O PRO A 64 -1.167 -7.307 2.375 1.00 0.00 O ATOM 964 CB PRO A 64 0.679 -5.434 0.203 1.00 0.00 C ATOM 965 CG PRO A 64 0.923 -3.935 0.264 1.00 0.00 C ATOM 966 CD PRO A 64 -0.422 -3.250 0.441 1.00 0.00 C ATOM 0 HA PRO A 64 -1.245 -6.415 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.392 -5.972 0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.800 -5.808 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.588 -3.690 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.410 -3.590 -0.648 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.428 -2.610 1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.659 -2.617 -0.414 1.00 0.00 H new ATOM 974 N MET A 65 -0.458 -5.271 3.058 1.00 0.00 N ATOM 975 CA MET A 65 -0.472 -5.618 4.469 1.00 0.00 C ATOM 976 C MET A 65 -1.826 -6.200 4.878 1.00 0.00 C ATOM 977 O MET A 65 -1.889 -7.134 5.675 1.00 0.00 O ATOM 978 CB MET A 65 -0.180 -4.369 5.305 1.00 0.00 C ATOM 979 CG MET A 65 -0.168 -4.698 6.798 1.00 0.00 C ATOM 980 SD MET A 65 -1.192 -3.540 7.688 1.00 0.00 S ATOM 981 CE MET A 65 -1.836 -4.609 8.964 1.00 0.00 C ATOM 0 H MET A 65 -0.163 -4.316 2.856 1.00 0.00 H new ATOM 0 HA MET A 65 0.295 -6.372 4.645 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.783 -3.949 5.014 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.934 -3.608 5.103 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.530 -5.714 6.958 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.853 -4.660 7.179 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.500 -4.040 9.614 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.390 -5.429 8.507 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.011 -5.012 9.552 1.00 0.00 H new ATOM 991 N ILE A 66 -2.876 -5.624 4.312 1.00 0.00 N ATOM 992 CA ILE A 66 -4.226 -6.074 4.608 1.00 0.00 C ATOM 993 C ILE A 66 -4.556 -7.288 3.736 1.00 0.00 C ATOM 994 O ILE A 66 -5.364 -8.132 4.121 1.00 0.00 O ATOM 995 CB ILE A 66 -5.221 -4.922 4.457 1.00 0.00 C ATOM 996 CG1 ILE A 66 -4.866 -3.766 5.395 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.657 -5.406 4.662 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.613 -2.490 5.001 1.00 0.00 C ATOM 0 H ILE A 66 -2.820 -4.850 3.650 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.301 -6.395 5.647 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.153 -4.543 3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.116 -4.036 6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.791 -3.586 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.343 -4.567 4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.893 -6.170 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.760 -5.827 5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.342 -1.685 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.342 -2.209 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.687 -2.666 5.055 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.914 -7.337 2.579 1.00 0.00 N ATOM 1011 CA ALA A 67 -4.129 -8.434 1.650 1.00 0.00 C ATOM 1012 C ALA A 67 -3.619 -9.734 2.276 1.00 0.00 C ATOM 1013 O ALA A 67 -4.399 -10.651 2.532 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.441 -8.119 0.320 1.00 0.00 C ATOM 0 H ALA A 67 -3.245 -6.635 2.263 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.192 -8.561 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.602 -8.942 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.858 -7.203 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.372 -7.988 0.486 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.316 -9.772 2.504 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.693 -10.945 3.096 1.00 0.00 C ATOM 1022 C VAL A 68 -2.358 -11.246 4.441 1.00 0.00 C ATOM 1023 O VAL A 68 -2.899 -12.332 4.641 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.182 -10.734 3.210 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.534 -12.051 3.517 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.378 -10.089 1.941 1.00 0.00 C ATOM 0 H VAL A 68 -1.673 -9.010 2.290 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.838 -11.817 2.459 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.001 -10.052 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.607 -11.873 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.166 -12.454 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.341 -12.765 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.454 -9.950 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.179 -10.735 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.099 -9.122 1.784 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.294 -10.264 5.329 1.00 0.00 N ATOM 1037 CA GLY A 69 -2.883 -10.410 6.649 1.00 0.00 C ATOM 1038 C GLY A 69 -4.204 -11.179 6.579 1.00 0.00 C ATOM 1039 O GLY A 69 -4.477 -12.030 7.424 1.00 0.00 O ATOM 0 H GLY A 69 -1.843 -9.365 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.188 -10.934 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.054 -9.426 7.086 1.00 0.00 H new ATOM 1043 N LEU A 70 -4.988 -10.851 5.563 1.00 0.00 N ATOM 1044 CA LEU A 70 -6.275 -11.500 5.371 1.00 0.00 C ATOM 1045 C LEU A 70 -6.052 -12.976 5.035 1.00 0.00 C ATOM 1046 O LEU A 70 -6.635 -13.856 5.667 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.102 -10.751 4.325 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.354 -10.040 4.845 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.050 -9.265 3.724 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -9.299 -11.026 5.533 1.00 0.00 C ATOM 0 H LEU A 70 -4.758 -10.145 4.864 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.859 -11.466 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.461 -10.012 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.404 -11.460 3.554 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.046 -9.313 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.936 -8.769 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.367 -8.518 3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.343 -9.955 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.180 -10.495 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.604 -11.794 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.788 -11.493 6.375 1.00 0.00 H new ATOM 1062 N GLY A 71 -5.205 -13.202 4.041 1.00 0.00 N ATOM 1063 CA GLY A 71 -4.896 -14.557 3.614 1.00 0.00 C ATOM 1064 C GLY A 71 -4.367 -15.393 4.781 1.00 0.00 C ATOM 1065 O GLY A 71 -4.899 -16.463 5.072 1.00 0.00 O ATOM 0 H GLY A 71 -4.723 -12.470 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.790 -15.025 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.154 -14.530 2.816 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.328 -14.872 5.416 1.00 0.00 N ATOM 1070 CA LEU A 72 -2.721 -15.558 6.545 1.00 0.00 C ATOM 1071 C LEU A 72 -3.766 -15.739 7.647 1.00 0.00 C ATOM 1072 O LEU A 72 -3.840 -16.797 8.270 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.462 -14.821 7.005 1.00 0.00 C ATOM 1074 CG LEU A 72 -1.642 -13.347 7.369 1.00 0.00 C ATOM 1075 CD1 LEU A 72 -2.163 -13.194 8.799 1.00 0.00 C ATOM 1076 CD2 LEU A 72 -0.347 -12.563 7.143 1.00 0.00 C ATOM 0 H LEU A 72 -2.891 -13.984 5.171 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.390 -16.555 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.057 -15.342 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.715 -14.891 6.214 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.395 -12.922 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.282 -12.136 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.126 -13.696 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.453 -13.641 9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.503 -11.518 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.445 -12.982 7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.059 -12.631 6.094 1.00 0.00 H new ATOM 1088 N TYR A 73 -4.547 -14.689 7.857 1.00 0.00 N ATOM 1089 CA TYR A 73 -5.583 -14.719 8.874 1.00 0.00 C ATOM 1090 C TYR A 73 -6.564 -15.867 8.624 1.00 0.00 C ATOM 1091 O TYR A 73 -6.972 -16.552 9.559 1.00 0.00 O ATOM 1092 CB TYR A 73 -6.332 -13.389 8.751 1.00 0.00 C ATOM 1093 CG TYR A 73 -7.755 -13.422 9.312 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -7.959 -13.591 10.668 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -8.835 -13.284 8.464 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -9.298 -13.621 11.195 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -10.174 -13.315 8.993 1.00 0.00 C ATOM 1098 CZ TYR A 73 -10.339 -13.482 10.332 1.00 0.00 C ATOM 1099 OH TYR A 73 -11.604 -13.511 10.832 1.00 0.00 O ATOM 0 H TYR A 73 -4.482 -13.812 7.340 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.147 -14.865 9.862 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.766 -12.616 9.270 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.373 -13.103 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.114 -13.701 11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.676 -13.153 7.404 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.472 -13.751 12.253 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.028 -13.208 8.341 1.00 0.00 H new ATOM 0 HH TYR A 73 -12.247 -13.399 10.101 1.00 0.00 H new ATOM 1109 N VAL A 74 -6.913 -16.040 7.358 1.00 0.00 N ATOM 1110 CA VAL A 74 -7.838 -17.092 6.974 1.00 0.00 C ATOM 1111 C VAL A 74 -7.279 -18.444 7.423 1.00 0.00 C ATOM 1112 O VAL A 74 -8.005 -19.265 7.984 1.00 0.00 O ATOM 1113 CB VAL A 74 -8.109 -17.028 5.470 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -8.820 -18.293 4.986 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -8.913 -15.776 5.111 1.00 0.00 C ATOM 0 H VAL A 74 -6.572 -15.469 6.585 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.799 -16.955 7.470 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.148 -16.968 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.001 -18.221 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.196 -19.163 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.771 -18.398 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.092 -15.754 4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.867 -15.793 5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.353 -14.888 5.403 1.00 0.00 H new ATOM 1125 N MET A 75 -5.995 -18.635 7.160 1.00 0.00 N ATOM 1126 CA MET A 75 -5.331 -19.873 7.530 1.00 0.00 C ATOM 1127 C MET A 75 -5.433 -20.121 9.035 1.00 0.00 C ATOM 1128 O MET A 75 -5.840 -21.200 9.464 1.00 0.00 O ATOM 1129 CB MET A 75 -3.857 -19.804 7.122 1.00 0.00 C ATOM 1130 CG MET A 75 -3.279 -21.205 6.918 1.00 0.00 C ATOM 1131 SD MET A 75 -1.551 -21.223 7.366 1.00 0.00 S ATOM 1132 CE MET A 75 -1.693 -21.258 9.146 1.00 0.00 C ATOM 0 H MET A 75 -5.396 -17.953 6.695 1.00 0.00 H new ATOM 0 HA MET A 75 -5.823 -20.696 7.011 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.757 -19.228 6.202 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.288 -19.280 7.890 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.828 -21.926 7.524 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.397 -21.508 5.878 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.046 -20.494 9.578 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.726 -21.062 9.432 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.393 -22.239 9.516 1.00 0.00 H new ATOM 1142 N PHE A 76 -5.055 -19.105 9.797 1.00 0.00 N ATOM 1143 CA PHE A 76 -5.100 -19.200 11.247 1.00 0.00 C ATOM 1144 C PHE A 76 -6.540 -19.338 11.744 1.00 0.00 C ATOM 1145 O PHE A 76 -6.790 -19.993 12.755 1.00 0.00 O ATOM 1146 CB PHE A 76 -4.506 -17.902 11.798 1.00 0.00 C ATOM 1147 CG PHE A 76 -3.978 -18.017 13.229 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -4.846 -18.152 14.266 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -2.638 -17.984 13.464 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -4.356 -18.260 15.594 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.148 -18.091 14.792 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.017 -18.227 15.829 1.00 0.00 C ATOM 0 H PHE A 76 -4.716 -18.212 9.438 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.544 -20.077 11.580 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.693 -17.581 11.147 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.268 -17.123 11.764 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.909 -18.177 14.080 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.948 -17.876 12.640 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.046 -18.368 16.417 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.085 -18.064 14.979 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.644 -18.309 16.839 1.00 0.00 H new ATOM 1162 N ALA A 77 -7.449 -18.714 11.010 1.00 0.00 N ATOM 1163 CA ALA A 77 -8.857 -18.761 11.363 1.00 0.00 C ATOM 1164 C ALA A 77 -9.303 -20.220 11.471 1.00 0.00 C ATOM 1165 O ALA A 77 -9.724 -20.666 12.538 1.00 0.00 O ATOM 1166 CB ALA A 77 -9.669 -17.978 10.329 1.00 0.00 C ATOM 0 H ALA A 77 -7.237 -18.173 10.172 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.025 -18.292 12.333 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.726 -18.013 10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.333 -16.941 10.312 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.527 -18.421 9.343 1.00 0.00 H new ATOM 1172 N VAL A 78 -9.196 -20.923 10.354 1.00 0.00 N ATOM 1173 CA VAL A 78 -9.584 -22.322 10.310 1.00 0.00 C ATOM 1174 C VAL A 78 -8.576 -23.151 11.110 1.00 0.00 C ATOM 1175 O VAL A 78 -8.865 -24.283 11.495 1.00 0.00 O ATOM 1176 CB VAL A 78 -9.718 -22.783 8.857 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -8.350 -22.862 8.178 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -10.451 -24.124 8.773 1.00 0.00 C ATOM 0 H VAL A 78 -8.846 -20.550 9.472 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.561 -22.462 10.772 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.313 -22.042 8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.474 -23.192 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.880 -21.878 8.190 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.719 -23.572 8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.533 -24.429 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.894 -24.878 9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.448 -24.021 9.200 1.00 0.00 H new ATOM 1188 N ALA A 79 -7.414 -22.555 11.335 1.00 0.00 N ATOM 1189 CA ALA A 79 -6.362 -23.224 12.081 1.00 0.00 C ATOM 1190 C ALA A 79 -5.894 -24.455 11.301 1.00 0.00 C ATOM 1191 O ALA A 79 -5.396 -25.414 11.890 1.00 0.00 O ATOM 1192 CB ALA A 79 -6.874 -23.580 13.479 1.00 0.00 C ATOM 0 H ALA A 79 -7.178 -21.616 11.014 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.502 -22.566 12.206 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.085 -24.082 14.039 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.167 -22.670 14.002 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.735 -24.242 13.393 1.00 0.00 H new TER 1198 ALA A 79