USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 ASN : amide:sc= -0.161 X(o=-0.5,f=-0.41) USER MOD Set 2.2: A 6 MET CE :methyl 175:sc= -0.338 (180deg=-0.395) USER MOD Single : A 1 MET CE :methyl 166:sc=-0.00221 (180deg=-0.244) USER MOD Single : A 1 MET N :NH3+ -113:sc= -0.45 (180deg=-1.47) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 167:sc=-0.000191 (180deg=-0.212) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -154:sc= 0 (180deg=-0.414) USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= -0.0791 (180deg=-1.47!) USER MOD Single : A 42 GLN : amide:sc= -0.046 X(o=-0.046,f=-0.0017) USER MOD Single : A 51 THR OG1 : rot 82:sc= 1.18 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 57 MET CE :methyl 167:sc=-0.00351 (180deg=-0.252) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.638 -5.768 -3.086 1.00 0.00 N ATOM 2 CA MET A 1 29.852 -4.381 -2.605 1.00 0.00 C ATOM 3 C MET A 1 29.035 -3.441 -3.411 1.00 0.00 C ATOM 4 O MET A 1 28.035 -2.926 -2.922 1.00 0.00 O ATOM 5 CB MET A 1 31.350 -4.001 -2.696 1.00 0.00 C ATOM 6 CG MET A 1 32.227 -4.759 -1.681 1.00 0.00 C ATOM 7 SD MET A 1 34.009 -4.392 -1.793 1.00 0.00 S ATOM 8 CE MET A 1 33.957 -2.683 -1.173 1.00 0.00 C ATOM 0 H1 MET A 1 29.148 -6.318 -2.352 1.00 0.00 H new ATOM 0 H2 MET A 1 29.059 -5.750 -3.950 1.00 0.00 H new ATOM 0 H3 MET A 1 30.557 -6.209 -3.294 1.00 0.00 H new ATOM 0 HA MET A 1 29.545 -4.318 -1.561 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.711 -4.207 -3.704 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.458 -2.929 -2.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.883 -4.521 -0.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.081 -5.830 -1.823 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.967 -2.354 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.540 -2.030 -1.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.333 -2.639 -0.280 1.00 0.00 H new ATOM 20 N GLU A 2 29.428 -3.219 -4.685 1.00 0.00 N ATOM 21 CA GLU A 2 28.654 -2.497 -5.658 1.00 0.00 C ATOM 22 C GLU A 2 27.429 -3.292 -6.044 1.00 0.00 C ATOM 23 O GLU A 2 26.407 -2.720 -6.411 1.00 0.00 O ATOM 24 CB GLU A 2 29.469 -2.133 -6.925 1.00 0.00 C ATOM 25 CG GLU A 2 30.088 -3.333 -7.666 1.00 0.00 C ATOM 26 CD GLU A 2 30.900 -2.834 -8.861 1.00 0.00 C ATOM 27 OE1 GLU A 2 30.290 -2.228 -9.782 1.00 0.00 O ATOM 28 OE2 GLU A 2 32.141 -3.055 -8.871 1.00 0.00 O ATOM 0 H GLU A 2 30.319 -3.555 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 2 28.355 -1.559 -5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.819 -1.595 -7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.268 -1.449 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.728 -3.900 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 2 29.303 -4.009 -8.004 1.00 0.00 H new ATOM 35 N ASN A 3 27.511 -4.640 -5.934 1.00 0.00 N ATOM 36 CA ASN A 3 26.434 -5.545 -6.236 1.00 0.00 C ATOM 37 C ASN A 3 25.579 -5.714 -5.007 1.00 0.00 C ATOM 38 O ASN A 3 24.357 -5.748 -5.118 1.00 0.00 O ATOM 39 CB ASN A 3 26.971 -6.918 -6.713 1.00 0.00 C ATOM 40 CG ASN A 3 25.844 -7.813 -7.257 1.00 0.00 C ATOM 41 OD1 ASN A 3 25.224 -7.490 -8.277 1.00 0.00 O ATOM 42 ND2 ASN A 3 25.584 -8.953 -6.547 1.00 0.00 N ATOM 0 H ASN A 3 28.359 -5.115 -5.623 1.00 0.00 H new ATOM 0 HA ASN A 3 25.838 -5.128 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 3 27.721 -6.766 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 3 27.468 -7.422 -5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 3 24.846 -9.587 -6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 3 26.128 -9.169 -5.712 1.00 0.00 H new ATOM 49 N LEU A 4 26.217 -5.831 -3.810 1.00 0.00 N ATOM 50 CA LEU A 4 25.611 -5.903 -2.496 1.00 0.00 C ATOM 51 C LEU A 4 24.720 -4.734 -2.208 1.00 0.00 C ATOM 52 O LEU A 4 23.754 -4.849 -1.462 1.00 0.00 O ATOM 53 CB LEU A 4 26.676 -6.035 -1.380 1.00 0.00 C ATOM 54 CG LEU A 4 26.156 -6.286 0.059 1.00 0.00 C ATOM 55 CD1 LEU A 4 25.290 -7.556 0.176 1.00 0.00 C ATOM 56 CD2 LEU A 4 27.331 -6.326 1.057 1.00 0.00 C ATOM 0 H LEU A 4 27.235 -5.879 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 4 24.994 -6.802 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 4 27.347 -6.852 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 4 27.273 -5.123 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 4 25.504 -5.449 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 4 24.957 -7.676 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 4 24.422 -7.466 -0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 4 25.878 -8.425 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 4 26.949 -6.503 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 4 28.015 -7.129 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 4 27.861 -5.374 1.033 1.00 0.00 H new ATOM 68 N ASN A 5 25.049 -3.571 -2.805 1.00 0.00 N ATOM 69 CA ASN A 5 24.364 -2.329 -2.595 1.00 0.00 C ATOM 70 C ASN A 5 23.023 -2.340 -3.261 1.00 0.00 C ATOM 71 O ASN A 5 22.016 -1.984 -2.656 1.00 0.00 O ATOM 72 CB ASN A 5 25.172 -1.111 -3.102 1.00 0.00 C ATOM 73 CG ASN A 5 24.943 0.094 -2.197 1.00 0.00 C ATOM 74 OD1 ASN A 5 24.398 1.125 -2.609 1.00 0.00 O ATOM 75 ND2 ASN A 5 25.381 -0.072 -0.919 1.00 0.00 N ATOM 0 H ASN A 5 25.825 -3.493 -3.462 1.00 0.00 H new ATOM 0 HA ASN A 5 24.241 -2.228 -1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.234 -1.357 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 5 24.875 -0.869 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.267 0.680 -0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.823 -0.948 -0.641 1.00 0.00 H new ATOM 82 N MET A 6 23.000 -2.791 -4.534 1.00 0.00 N ATOM 83 CA MET A 6 21.824 -2.939 -5.340 1.00 0.00 C ATOM 84 C MET A 6 21.000 -4.094 -4.831 1.00 0.00 C ATOM 85 O MET A 6 19.788 -4.119 -5.023 1.00 0.00 O ATOM 86 CB MET A 6 22.167 -3.171 -6.832 1.00 0.00 C ATOM 87 CG MET A 6 22.488 -1.887 -7.636 1.00 0.00 C ATOM 88 SD MET A 6 23.908 -0.890 -7.077 1.00 0.00 S ATOM 89 CE MET A 6 22.988 0.369 -6.146 1.00 0.00 C ATOM 0 H MET A 6 23.850 -3.067 -5.026 1.00 0.00 H new ATOM 0 HA MET A 6 21.258 -2.010 -5.267 1.00 0.00 H new ATOM 0 HB2 MET A 6 23.023 -3.843 -6.892 1.00 0.00 H new ATOM 0 HB3 MET A 6 21.328 -3.679 -7.307 1.00 0.00 H new ATOM 0 HG2 MET A 6 22.663 -2.172 -8.673 1.00 0.00 H new ATOM 0 HG3 MET A 6 21.603 -1.251 -7.625 1.00 0.00 H new ATOM 0 HE1 MET A 6 23.690 1.035 -5.644 1.00 0.00 H new ATOM 0 HE2 MET A 6 22.367 0.946 -6.831 1.00 0.00 H new ATOM 0 HE3 MET A 6 22.355 -0.118 -5.404 1.00 0.00 H new ATOM 99 N ASP A 7 21.649 -5.069 -4.147 1.00 0.00 N ATOM 100 CA ASP A 7 20.985 -6.197 -3.531 1.00 0.00 C ATOM 101 C ASP A 7 20.217 -5.753 -2.308 1.00 0.00 C ATOM 102 O ASP A 7 19.080 -6.167 -2.100 1.00 0.00 O ATOM 103 CB ASP A 7 21.983 -7.325 -3.165 1.00 0.00 C ATOM 104 CG ASP A 7 21.271 -8.634 -2.808 1.00 0.00 C ATOM 105 OD1 ASP A 7 20.602 -9.206 -3.709 1.00 0.00 O ATOM 106 OD2 ASP A 7 21.391 -9.074 -1.633 1.00 0.00 O ATOM 0 H ASP A 7 22.661 -5.075 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 7 20.285 -6.604 -4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 7 22.658 -7.497 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 7 22.597 -7.006 -2.323 1.00 0.00 H new ATOM 111 N LEU A 8 20.846 -4.893 -1.475 1.00 0.00 N ATOM 112 CA LEU A 8 20.359 -4.478 -0.183 1.00 0.00 C ATOM 113 C LEU A 8 19.190 -3.552 -0.333 1.00 0.00 C ATOM 114 O LEU A 8 18.168 -3.752 0.315 1.00 0.00 O ATOM 115 CB LEU A 8 21.469 -3.759 0.628 1.00 0.00 C ATOM 116 CG LEU A 8 21.076 -3.259 2.040 1.00 0.00 C ATOM 117 CD1 LEU A 8 20.586 -4.395 2.963 1.00 0.00 C ATOM 118 CD2 LEU A 8 22.246 -2.490 2.683 1.00 0.00 C ATOM 0 H LEU A 8 21.740 -4.465 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 8 20.050 -5.376 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 8 22.314 -4.441 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 8 21.817 -2.905 0.048 1.00 0.00 H new ATOM 0 HG LEU A 8 20.232 -2.580 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 8 20.325 -3.984 3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 8 19.709 -4.869 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 8 21.378 -5.135 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.953 -2.145 3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 8 23.111 -3.148 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.503 -1.632 2.062 1.00 0.00 H new ATOM 130 N LEU A 9 19.319 -2.523 -1.201 1.00 0.00 N ATOM 131 CA LEU A 9 18.319 -1.493 -1.399 1.00 0.00 C ATOM 132 C LEU A 9 17.040 -2.028 -1.993 1.00 0.00 C ATOM 133 O LEU A 9 15.952 -1.640 -1.574 1.00 0.00 O ATOM 134 CB LEU A 9 18.841 -0.380 -2.335 1.00 0.00 C ATOM 135 CG LEU A 9 19.981 0.464 -1.719 1.00 0.00 C ATOM 136 CD1 LEU A 9 20.747 1.221 -2.817 1.00 0.00 C ATOM 137 CD2 LEU A 9 19.469 1.429 -0.631 1.00 0.00 C ATOM 0 H LEU A 9 20.145 -2.399 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 9 18.112 -1.096 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.195 -0.832 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 9 18.014 0.279 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 9 20.669 -0.225 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 9 21.545 1.809 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 9 21.176 0.507 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 9 20.063 1.884 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 9 20.306 2.000 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.739 2.112 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 9 19.000 0.858 0.170 1.00 0.00 H new ATOM 149 N TYR A 10 17.149 -2.936 -2.991 1.00 0.00 N ATOM 150 CA TYR A 10 16.026 -3.519 -3.691 1.00 0.00 C ATOM 151 C TYR A 10 15.262 -4.452 -2.775 1.00 0.00 C ATOM 152 O TYR A 10 14.048 -4.328 -2.629 1.00 0.00 O ATOM 153 CB TYR A 10 16.519 -4.266 -4.959 1.00 0.00 C ATOM 154 CG TYR A 10 15.552 -4.337 -6.122 1.00 0.00 C ATOM 155 CD1 TYR A 10 14.147 -4.316 -6.010 1.00 0.00 C ATOM 156 CD2 TYR A 10 16.114 -4.443 -7.404 1.00 0.00 C ATOM 157 CE1 TYR A 10 13.335 -4.408 -7.148 1.00 0.00 C ATOM 158 CE2 TYR A 10 15.310 -4.533 -8.545 1.00 0.00 C ATOM 159 CZ TYR A 10 13.916 -4.518 -8.418 1.00 0.00 C ATOM 160 OH TYR A 10 13.098 -4.598 -9.568 1.00 0.00 O ATOM 0 H TYR A 10 18.050 -3.278 -3.325 1.00 0.00 H new ATOM 0 HA TYR A 10 15.350 -2.723 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 10 17.433 -3.784 -5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 10 16.784 -5.284 -4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.691 -4.228 -5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.189 -4.455 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 10 12.260 -4.394 -7.046 1.00 0.00 H new ATOM 0 HE2 TYR A 10 15.764 -4.614 -9.522 1.00 0.00 H new ATOM 0 HH TYR A 10 13.662 -4.669 -10.366 1.00 0.00 H new ATOM 170 N MET A 11 15.970 -5.401 -2.111 1.00 0.00 N ATOM 171 CA MET A 11 15.348 -6.386 -1.248 1.00 0.00 C ATOM 172 C MET A 11 14.838 -5.794 0.040 1.00 0.00 C ATOM 173 O MET A 11 13.971 -6.384 0.680 1.00 0.00 O ATOM 174 CB MET A 11 16.279 -7.566 -0.907 1.00 0.00 C ATOM 175 CG MET A 11 16.652 -8.408 -2.143 1.00 0.00 C ATOM 176 SD MET A 11 17.784 -9.793 -1.796 1.00 0.00 S ATOM 177 CE MET A 11 16.618 -10.856 -0.894 1.00 0.00 C ATOM 0 H MET A 11 16.984 -5.488 -2.172 1.00 0.00 H new ATOM 0 HA MET A 11 14.506 -6.758 -1.831 1.00 0.00 H new ATOM 0 HB2 MET A 11 17.189 -7.183 -0.445 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.793 -8.206 -0.170 1.00 0.00 H new ATOM 0 HG2 MET A 11 15.739 -8.804 -2.587 1.00 0.00 H new ATOM 0 HG3 MET A 11 17.112 -7.756 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 11 17.042 -11.855 -0.790 1.00 0.00 H new ATOM 0 HE2 MET A 11 16.433 -10.436 0.095 1.00 0.00 H new ATOM 0 HE3 MET A 11 15.679 -10.916 -1.445 1.00 0.00 H new ATOM 187 N ALA A 12 15.333 -4.596 0.438 1.00 0.00 N ATOM 188 CA ALA A 12 14.812 -3.827 1.536 1.00 0.00 C ATOM 189 C ALA A 12 13.415 -3.360 1.226 1.00 0.00 C ATOM 190 O ALA A 12 12.507 -3.619 2.003 1.00 0.00 O ATOM 191 CB ALA A 12 15.689 -2.618 1.907 1.00 0.00 C ATOM 0 H ALA A 12 16.125 -4.149 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 12 14.807 -4.492 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.237 -2.083 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 12 16.683 -2.963 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.769 -1.950 1.049 1.00 0.00 H new ATOM 197 N ALA A 13 13.220 -2.688 0.062 1.00 0.00 N ATOM 198 CA ALA A 13 11.959 -2.302 -0.535 1.00 0.00 C ATOM 199 C ALA A 13 11.030 -3.453 -0.831 1.00 0.00 C ATOM 200 O ALA A 13 9.847 -3.244 -1.077 1.00 0.00 O ATOM 201 CB ALA A 13 12.176 -1.501 -1.834 1.00 0.00 C ATOM 0 H ALA A 13 14.011 -2.390 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 13 11.479 -1.684 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.210 -1.226 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.746 -0.598 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.726 -2.111 -2.550 1.00 0.00 H new ATOM 207 N ALA A 14 11.524 -4.710 -0.829 1.00 0.00 N ATOM 208 CA ALA A 14 10.692 -5.855 -1.131 1.00 0.00 C ATOM 209 C ALA A 14 10.112 -6.409 0.137 1.00 0.00 C ATOM 210 O ALA A 14 9.043 -7.012 0.126 1.00 0.00 O ATOM 211 CB ALA A 14 11.472 -6.977 -1.839 1.00 0.00 C ATOM 0 H ALA A 14 12.496 -4.939 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 14 9.906 -5.508 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.803 -7.813 -2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.879 -6.601 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 14 12.287 -7.313 -1.198 1.00 0.00 H new ATOM 217 N VAL A 15 10.812 -6.192 1.268 1.00 0.00 N ATOM 218 CA VAL A 15 10.378 -6.557 2.595 1.00 0.00 C ATOM 219 C VAL A 15 9.472 -5.465 3.117 1.00 0.00 C ATOM 220 O VAL A 15 8.513 -5.739 3.835 1.00 0.00 O ATOM 221 CB VAL A 15 11.598 -6.749 3.492 1.00 0.00 C ATOM 222 CG1 VAL A 15 11.240 -6.792 4.994 1.00 0.00 C ATOM 223 CG2 VAL A 15 12.302 -8.055 3.064 1.00 0.00 C ATOM 0 H VAL A 15 11.726 -5.740 1.262 1.00 0.00 H new ATOM 0 HA VAL A 15 9.824 -7.496 2.580 1.00 0.00 H new ATOM 0 HB VAL A 15 12.258 -5.891 3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.148 -6.930 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.762 -5.856 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.557 -7.621 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 15 13.179 -8.217 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.615 -8.893 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 15 12.610 -7.978 2.021 1.00 0.00 H new ATOM 233 N MET A 16 9.757 -4.200 2.741 1.00 0.00 N ATOM 234 CA MET A 16 9.066 -3.015 3.182 1.00 0.00 C ATOM 235 C MET A 16 7.763 -2.919 2.455 1.00 0.00 C ATOM 236 O MET A 16 6.709 -3.028 3.079 1.00 0.00 O ATOM 237 CB MET A 16 9.895 -1.738 2.915 1.00 0.00 C ATOM 238 CG MET A 16 11.021 -1.535 3.943 1.00 0.00 C ATOM 239 SD MET A 16 12.195 -0.230 3.466 1.00 0.00 S ATOM 240 CE MET A 16 13.384 -0.540 4.800 1.00 0.00 C ATOM 0 H MET A 16 10.514 -3.990 2.091 1.00 0.00 H new ATOM 0 HA MET A 16 8.905 -3.091 4.257 1.00 0.00 H new ATOM 0 HB2 MET A 16 10.327 -1.792 1.916 1.00 0.00 H new ATOM 0 HB3 MET A 16 9.234 -0.871 2.930 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.582 -1.285 4.909 1.00 0.00 H new ATOM 0 HG3 MET A 16 11.562 -2.473 4.071 1.00 0.00 H new ATOM 0 HE1 MET A 16 14.217 0.158 4.715 1.00 0.00 H new ATOM 0 HE2 MET A 16 12.893 -0.404 5.764 1.00 0.00 H new ATOM 0 HE3 MET A 16 13.758 -1.561 4.724 1.00 0.00 H new ATOM 250 N MET A 17 7.795 -2.719 1.116 1.00 0.00 N ATOM 251 CA MET A 17 6.591 -2.438 0.362 1.00 0.00 C ATOM 252 C MET A 17 5.858 -3.710 0.079 1.00 0.00 C ATOM 253 O MET A 17 4.665 -3.683 -0.205 1.00 0.00 O ATOM 254 CB MET A 17 6.870 -1.814 -1.027 1.00 0.00 C ATOM 255 CG MET A 17 7.913 -0.687 -1.023 1.00 0.00 C ATOM 256 SD MET A 17 7.903 0.321 -2.542 1.00 0.00 S ATOM 257 CE MET A 17 8.426 -0.961 -3.719 1.00 0.00 C ATOM 0 H MET A 17 8.646 -2.751 0.555 1.00 0.00 H new ATOM 0 HA MET A 17 6.024 -1.740 0.978 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.206 -2.600 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.935 -1.425 -1.430 1.00 0.00 H new ATOM 0 HG2 MET A 17 7.732 -0.039 -0.165 1.00 0.00 H new ATOM 0 HG3 MET A 17 8.904 -1.121 -0.891 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.917 -0.493 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 17 9.122 -1.643 -3.229 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.554 -1.517 -4.062 1.00 0.00 H new ATOM 267 N GLY A 18 6.538 -4.878 0.174 1.00 0.00 N ATOM 268 CA GLY A 18 5.882 -6.156 0.051 1.00 0.00 C ATOM 269 C GLY A 18 4.921 -6.321 1.185 1.00 0.00 C ATOM 270 O GLY A 18 3.781 -6.720 0.975 1.00 0.00 O ATOM 0 H GLY A 18 7.543 -4.937 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.355 -6.219 -0.901 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.618 -6.960 0.061 1.00 0.00 H new ATOM 274 N LEU A 19 5.356 -5.947 2.411 1.00 0.00 N ATOM 275 CA LEU A 19 4.562 -6.028 3.610 1.00 0.00 C ATOM 276 C LEU A 19 3.370 -5.108 3.520 1.00 0.00 C ATOM 277 O LEU A 19 2.233 -5.580 3.553 1.00 0.00 O ATOM 278 CB LEU A 19 5.439 -5.732 4.859 1.00 0.00 C ATOM 279 CG LEU A 19 4.800 -5.813 6.273 1.00 0.00 C ATOM 280 CD1 LEU A 19 4.146 -4.490 6.726 1.00 0.00 C ATOM 281 CD2 LEU A 19 3.876 -7.030 6.472 1.00 0.00 C ATOM 0 H LEU A 19 6.292 -5.576 2.573 1.00 0.00 H new ATOM 0 HA LEU A 19 4.177 -7.042 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.281 -6.424 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.849 -4.729 4.741 1.00 0.00 H new ATOM 0 HG LEU A 19 5.643 -5.977 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.720 -4.617 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.899 -3.702 6.752 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.357 -4.216 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.469 -7.016 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.059 -6.989 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.445 -7.947 6.323 1.00 0.00 H new ATOM 293 N ALA A 20 3.598 -3.773 3.457 1.00 0.00 N ATOM 294 CA ALA A 20 2.511 -2.823 3.593 1.00 0.00 C ATOM 295 C ALA A 20 1.677 -2.670 2.377 1.00 0.00 C ATOM 296 O ALA A 20 0.457 -2.740 2.471 1.00 0.00 O ATOM 297 CB ALA A 20 2.906 -1.431 4.107 1.00 0.00 C ATOM 0 H ALA A 20 4.517 -3.353 3.315 1.00 0.00 H new ATOM 0 HA ALA A 20 1.914 -3.299 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.019 -0.801 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.358 -1.523 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.623 -0.980 3.421 1.00 0.00 H new ATOM 303 N ALA A 21 2.308 -2.395 1.212 1.00 0.00 N ATOM 304 CA ALA A 21 1.616 -2.234 -0.045 1.00 0.00 C ATOM 305 C ALA A 21 0.756 -3.406 -0.452 1.00 0.00 C ATOM 306 O ALA A 21 -0.201 -3.192 -1.192 1.00 0.00 O ATOM 307 CB ALA A 21 2.489 -1.786 -1.231 1.00 0.00 C ATOM 0 H ALA A 21 3.319 -2.282 1.139 1.00 0.00 H new ATOM 0 HA ALA A 21 0.952 -1.403 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.871 -1.696 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.942 -0.821 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.273 -2.523 -1.405 1.00 0.00 H new ATOM 313 N ILE A 22 1.034 -4.663 0.017 1.00 0.00 N ATOM 314 CA ILE A 22 0.079 -5.732 -0.225 1.00 0.00 C ATOM 315 C ILE A 22 -1.051 -5.703 0.760 1.00 0.00 C ATOM 316 O ILE A 22 -2.185 -5.987 0.389 1.00 0.00 O ATOM 317 CB ILE A 22 0.595 -7.153 -0.323 1.00 0.00 C ATOM 318 CG1 ILE A 22 1.023 -7.829 0.997 1.00 0.00 C ATOM 319 CG2 ILE A 22 1.657 -7.215 -1.442 1.00 0.00 C ATOM 320 CD1 ILE A 22 -0.099 -8.652 1.643 1.00 0.00 C ATOM 0 H ILE A 22 1.872 -4.927 0.535 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.246 -5.488 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.256 -7.780 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.877 -8.478 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.355 -7.064 1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.039 -8.233 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.206 -6.918 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.477 -6.538 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.265 -9.101 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.946 -8.002 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.415 -9.438 0.957 1.00 0.00 H new ATOM 332 N GLY A 23 -0.773 -5.385 2.049 1.00 0.00 N ATOM 333 CA GLY A 23 -1.756 -5.385 3.122 1.00 0.00 C ATOM 334 C GLY A 23 -2.847 -4.395 2.833 1.00 0.00 C ATOM 335 O GLY A 23 -4.038 -4.657 3.019 1.00 0.00 O ATOM 0 H GLY A 23 0.161 -5.119 2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.182 -6.382 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.272 -5.137 4.067 1.00 0.00 H new ATOM 339 N ALA A 24 -2.401 -3.254 2.264 1.00 0.00 N ATOM 340 CA ALA A 24 -3.165 -2.251 1.588 1.00 0.00 C ATOM 341 C ALA A 24 -3.961 -2.888 0.497 1.00 0.00 C ATOM 342 O ALA A 24 -5.169 -3.015 0.633 1.00 0.00 O ATOM 343 CB ALA A 24 -2.211 -1.206 0.973 1.00 0.00 C ATOM 0 H ALA A 24 -1.409 -3.017 2.282 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.834 -1.764 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.792 -0.441 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.621 -0.742 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.545 -1.695 0.263 1.00 0.00 H new ATOM 349 N ALA A 25 -3.280 -3.347 -0.575 1.00 0.00 N ATOM 350 CA ALA A 25 -3.851 -3.591 -1.889 1.00 0.00 C ATOM 351 C ALA A 25 -4.918 -4.650 -1.909 1.00 0.00 C ATOM 352 O ALA A 25 -5.855 -4.571 -2.702 1.00 0.00 O ATOM 353 CB ALA A 25 -2.785 -4.005 -2.920 1.00 0.00 C ATOM 0 H ALA A 25 -2.284 -3.561 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.298 -2.632 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.260 -4.176 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.044 -3.211 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.295 -4.921 -2.589 1.00 0.00 H new ATOM 359 N ILE A 26 -4.800 -5.658 -1.017 1.00 0.00 N ATOM 360 CA ILE A 26 -5.758 -6.721 -0.840 1.00 0.00 C ATOM 361 C ILE A 26 -6.996 -6.188 -0.197 1.00 0.00 C ATOM 362 O ILE A 26 -8.074 -6.503 -0.679 1.00 0.00 O ATOM 363 CB ILE A 26 -5.193 -7.865 -0.007 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.979 -8.528 -0.711 1.00 0.00 C ATOM 365 CG2 ILE A 26 -6.271 -8.918 0.349 1.00 0.00 C ATOM 366 CD1 ILE A 26 -4.309 -9.236 -2.031 1.00 0.00 C ATOM 0 H ILE A 26 -4.000 -5.738 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.996 -7.118 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.846 -7.431 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.226 -7.763 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.532 -9.251 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.821 -9.713 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.068 -8.444 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.685 -9.339 -0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.400 -9.668 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.036 -10.027 -1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.726 -8.516 -2.736 1.00 0.00 H new ATOM 378 N GLY A 27 -6.908 -5.387 0.892 1.00 0.00 N ATOM 379 CA GLY A 27 -8.114 -4.994 1.586 1.00 0.00 C ATOM 380 C GLY A 27 -8.884 -3.920 0.954 1.00 0.00 C ATOM 381 O GLY A 27 -10.101 -3.950 0.988 1.00 0.00 O ATOM 0 H GLY A 27 -6.039 -5.022 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.757 -5.869 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.846 -4.680 2.595 1.00 0.00 H new ATOM 385 N ILE A 28 -8.221 -2.917 0.367 1.00 0.00 N ATOM 386 CA ILE A 28 -8.920 -1.917 -0.397 1.00 0.00 C ATOM 387 C ILE A 28 -9.321 -2.468 -1.742 1.00 0.00 C ATOM 388 O ILE A 28 -10.131 -1.872 -2.448 1.00 0.00 O ATOM 389 CB ILE A 28 -8.114 -0.660 -0.551 1.00 0.00 C ATOM 390 CG1 ILE A 28 -6.632 -0.952 -0.837 1.00 0.00 C ATOM 391 CG2 ILE A 28 -8.305 0.138 0.749 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.929 0.078 -1.718 1.00 0.00 C ATOM 0 H ILE A 28 -7.210 -2.790 0.414 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.821 -1.652 0.156 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.456 -0.086 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.101 -1.019 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.555 -1.929 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.738 1.067 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.362 0.366 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.950 -0.452 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.889 -0.216 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.429 0.131 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.967 1.055 -1.236 1.00 0.00 H new ATOM 404 N GLY A 29 -8.804 -3.666 -2.086 1.00 0.00 N ATOM 405 CA GLY A 29 -9.301 -4.451 -3.181 1.00 0.00 C ATOM 406 C GLY A 29 -10.600 -5.092 -2.780 1.00 0.00 C ATOM 407 O GLY A 29 -11.574 -5.020 -3.523 1.00 0.00 O ATOM 0 H GLY A 29 -8.023 -4.099 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.448 -3.821 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.574 -5.215 -3.456 1.00 0.00 H new ATOM 411 N ILE A 30 -10.624 -5.779 -1.606 1.00 0.00 N ATOM 412 CA ILE A 30 -11.802 -6.448 -1.080 1.00 0.00 C ATOM 413 C ILE A 30 -12.893 -5.478 -0.719 1.00 0.00 C ATOM 414 O ILE A 30 -13.928 -5.416 -1.374 1.00 0.00 O ATOM 415 CB ILE A 30 -11.475 -7.437 0.031 1.00 0.00 C ATOM 416 CG1 ILE A 30 -10.637 -8.561 -0.621 1.00 0.00 C ATOM 417 CG2 ILE A 30 -12.755 -8.012 0.685 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.035 -9.561 0.369 1.00 0.00 C ATOM 0 H ILE A 30 -9.805 -5.873 -1.005 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.202 -7.057 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.926 -6.943 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.266 -9.103 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.830 -8.108 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.478 -8.713 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -13.342 -7.199 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.348 -8.529 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.464 -10.313 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.376 -9.036 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.835 -10.047 0.928 1.00 0.00 H new ATOM 430 N LEU A 31 -12.651 -4.727 0.373 1.00 0.00 N ATOM 431 CA LEU A 31 -13.511 -3.787 1.038 1.00 0.00 C ATOM 432 C LEU A 31 -13.827 -2.595 0.189 1.00 0.00 C ATOM 433 O LEU A 31 -14.967 -2.149 0.203 1.00 0.00 O ATOM 434 CB LEU A 31 -12.877 -3.327 2.383 1.00 0.00 C ATOM 435 CG LEU A 31 -13.785 -3.546 3.615 1.00 0.00 C ATOM 436 CD1 LEU A 31 -13.006 -3.284 4.918 1.00 0.00 C ATOM 437 CD2 LEU A 31 -15.081 -2.710 3.564 1.00 0.00 C ATOM 0 H LEU A 31 -11.748 -4.786 0.843 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.450 -4.304 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.941 -3.865 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.628 -2.268 2.312 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.095 -4.591 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.663 -3.444 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.159 -3.967 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.644 -2.256 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.676 -2.907 4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.829 -1.650 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.654 -2.981 2.678 1.00 0.00 H new ATOM 449 N GLY A 32 -12.843 -2.060 -0.574 1.00 0.00 N ATOM 450 CA GLY A 32 -13.032 -0.916 -1.429 1.00 0.00 C ATOM 451 C GLY A 32 -13.648 -1.330 -2.736 1.00 0.00 C ATOM 452 O GLY A 32 -14.217 -0.492 -3.434 1.00 0.00 O ATOM 0 H GLY A 32 -11.894 -2.432 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.673 -0.186 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.074 -0.428 -1.610 1.00 0.00 H new ATOM 456 N GLY A 33 -13.567 -2.641 -3.095 1.00 0.00 N ATOM 457 CA GLY A 33 -14.201 -3.158 -4.285 1.00 0.00 C ATOM 458 C GLY A 33 -15.651 -3.434 -4.014 1.00 0.00 C ATOM 459 O GLY A 33 -16.492 -3.267 -4.894 1.00 0.00 O ATOM 0 H GLY A 33 -13.059 -3.343 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.105 -2.440 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.702 -4.072 -4.605 1.00 0.00 H new ATOM 463 N LYS A 34 -15.961 -3.850 -2.761 1.00 0.00 N ATOM 464 CA LYS A 34 -17.277 -4.166 -2.257 1.00 0.00 C ATOM 465 C LYS A 34 -18.058 -2.899 -2.103 1.00 0.00 C ATOM 466 O LYS A 34 -19.263 -2.855 -2.341 1.00 0.00 O ATOM 467 CB LYS A 34 -17.174 -4.819 -0.857 1.00 0.00 C ATOM 468 CG LYS A 34 -18.495 -5.341 -0.265 1.00 0.00 C ATOM 469 CD LYS A 34 -18.394 -5.869 1.182 1.00 0.00 C ATOM 470 CE LYS A 34 -17.653 -7.208 1.361 1.00 0.00 C ATOM 471 NZ LYS A 34 -16.179 -7.061 1.285 1.00 0.00 N ATOM 0 H LYS A 34 -15.240 -3.974 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.761 -4.849 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.470 -5.649 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.751 -4.090 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.231 -4.538 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.871 -6.141 -0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.893 -5.115 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.403 -5.979 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.922 -7.641 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.984 -7.907 0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.818 -7.597 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.936 -6.056 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.748 -7.427 2.158 1.00 0.00 H new ATOM 485 N PHE A 35 -17.345 -1.823 -1.707 1.00 0.00 N ATOM 486 CA PHE A 35 -17.858 -0.504 -1.523 1.00 0.00 C ATOM 487 C PHE A 35 -18.352 0.084 -2.827 1.00 0.00 C ATOM 488 O PHE A 35 -19.393 0.740 -2.852 1.00 0.00 O ATOM 489 CB PHE A 35 -16.713 0.349 -0.929 1.00 0.00 C ATOM 490 CG PHE A 35 -16.985 0.769 0.490 1.00 0.00 C ATOM 491 CD1 PHE A 35 -17.215 -0.180 1.506 1.00 0.00 C ATOM 492 CD2 PHE A 35 -16.960 2.126 0.834 1.00 0.00 C ATOM 493 CE1 PHE A 35 -17.408 0.227 2.834 1.00 0.00 C ATOM 494 CE2 PHE A 35 -17.152 2.535 2.155 1.00 0.00 C ATOM 495 CZ PHE A 35 -17.373 1.589 3.157 1.00 0.00 C ATOM 0 H PHE A 35 -16.347 -1.884 -1.504 1.00 0.00 H new ATOM 0 HA PHE A 35 -18.716 -0.522 -0.850 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -15.784 -0.220 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -16.567 1.236 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -17.243 -1.231 1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -16.790 2.867 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -17.583 -0.508 3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -17.129 3.586 2.402 1.00 0.00 H new ATOM 0 HZ PHE A 35 -17.517 1.907 4.179 1.00 0.00 H new ATOM 505 N LEU A 36 -17.624 -0.156 -3.951 1.00 0.00 N ATOM 506 CA LEU A 36 -18.019 0.303 -5.268 1.00 0.00 C ATOM 507 C LEU A 36 -19.136 -0.529 -5.873 1.00 0.00 C ATOM 508 O LEU A 36 -19.804 -0.092 -6.804 1.00 0.00 O ATOM 509 CB LEU A 36 -16.838 0.436 -6.261 1.00 0.00 C ATOM 510 CG LEU A 36 -16.871 1.734 -7.121 1.00 0.00 C ATOM 511 CD1 LEU A 36 -15.471 2.060 -7.666 1.00 0.00 C ATOM 512 CD2 LEU A 36 -17.906 1.763 -8.268 1.00 0.00 C ATOM 0 H LEU A 36 -16.747 -0.677 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.406 1.308 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -15.903 0.408 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -16.838 -0.427 -6.926 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.206 2.504 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.516 2.970 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.782 2.206 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.121 1.235 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.837 2.714 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.703 0.947 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -18.909 1.649 -7.856 1.00 0.00 H new ATOM 524 N GLU A 37 -19.417 -1.751 -5.350 1.00 0.00 N ATOM 525 CA GLU A 37 -20.550 -2.542 -5.806 1.00 0.00 C ATOM 526 C GLU A 37 -21.838 -1.929 -5.327 1.00 0.00 C ATOM 527 O GLU A 37 -22.871 -2.076 -5.977 1.00 0.00 O ATOM 528 CB GLU A 37 -20.526 -4.015 -5.347 1.00 0.00 C ATOM 529 CG GLU A 37 -19.408 -4.835 -6.012 1.00 0.00 C ATOM 530 CD GLU A 37 -19.456 -6.281 -5.522 1.00 0.00 C ATOM 531 OE1 GLU A 37 -19.281 -6.500 -4.294 1.00 0.00 O ATOM 532 OE2 GLU A 37 -19.665 -7.188 -6.371 1.00 0.00 O ATOM 0 H GLU A 37 -18.866 -2.194 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 37 -20.478 -2.538 -6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.400 -4.050 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -21.488 -4.475 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -19.520 -4.806 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -18.437 -4.396 -5.780 1.00 0.00 H new ATOM 539 N GLY A 38 -21.783 -1.187 -4.197 1.00 0.00 N ATOM 540 CA GLY A 38 -22.894 -0.423 -3.696 1.00 0.00 C ATOM 541 C GLY A 38 -23.009 0.883 -4.434 1.00 0.00 C ATOM 542 O GLY A 38 -24.102 1.430 -4.552 1.00 0.00 O ATOM 0 H GLY A 38 -20.946 -1.117 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -23.816 -0.994 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -22.763 -0.235 -2.630 1.00 0.00 H new ATOM 546 N ALA A 39 -21.867 1.419 -4.933 1.00 0.00 N ATOM 547 CA ALA A 39 -21.770 2.713 -5.552 1.00 0.00 C ATOM 548 C ALA A 39 -22.289 2.777 -6.963 1.00 0.00 C ATOM 549 O ALA A 39 -22.749 3.831 -7.399 1.00 0.00 O ATOM 550 CB ALA A 39 -20.341 3.281 -5.535 1.00 0.00 C ATOM 0 H ALA A 39 -20.975 0.926 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 39 -22.420 3.327 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -20.332 4.259 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -20.001 3.381 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.675 2.606 -6.073 1.00 0.00 H new ATOM 556 N ALA A 40 -22.180 1.658 -7.716 1.00 0.00 N ATOM 557 CA ALA A 40 -22.293 1.626 -9.150 1.00 0.00 C ATOM 558 C ALA A 40 -23.687 1.839 -9.654 1.00 0.00 C ATOM 559 O ALA A 40 -23.914 2.666 -10.536 1.00 0.00 O ATOM 560 CB ALA A 40 -21.764 0.300 -9.728 1.00 0.00 C ATOM 0 H ALA A 40 -22.006 0.739 -7.309 1.00 0.00 H new ATOM 0 HA ALA A 40 -21.682 2.462 -9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -21.865 0.310 -10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -20.714 0.180 -9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -22.339 -0.531 -9.318 1.00 0.00 H new ATOM 566 N ARG A 41 -24.647 1.066 -9.106 1.00 0.00 N ATOM 567 CA ARG A 41 -26.007 0.992 -9.591 1.00 0.00 C ATOM 568 C ARG A 41 -26.789 2.239 -9.258 1.00 0.00 C ATOM 569 O ARG A 41 -27.578 2.718 -10.070 1.00 0.00 O ATOM 570 CB ARG A 41 -26.768 -0.280 -9.119 1.00 0.00 C ATOM 571 CG ARG A 41 -27.023 -0.463 -7.605 1.00 0.00 C ATOM 572 CD ARG A 41 -25.780 -0.790 -6.762 1.00 0.00 C ATOM 573 NE ARG A 41 -26.208 -1.005 -5.337 1.00 0.00 N ATOM 574 CZ ARG A 41 -26.218 -2.225 -4.716 1.00 0.00 C ATOM 575 NH1 ARG A 41 -25.860 -3.366 -5.374 1.00 0.00 N ATOM 576 NH2 ARG A 41 -26.590 -2.299 -3.403 1.00 0.00 N ATOM 0 H ARG A 41 -24.477 0.469 -8.297 1.00 0.00 H new ATOM 0 HA ARG A 41 -25.923 0.917 -10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -27.734 -0.295 -9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -26.212 -1.149 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -27.474 0.450 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -27.753 -1.261 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -25.286 -1.682 -7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -25.058 0.025 -6.821 1.00 0.00 H new ATOM 0 HE ARG A 41 -26.509 -0.192 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -25.576 -3.323 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -25.876 -4.262 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -26.855 -1.452 -2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -26.602 -3.201 -2.927 1.00 0.00 H new ATOM 590 N GLN A 42 -26.558 2.801 -8.047 1.00 0.00 N ATOM 591 CA GLN A 42 -27.137 4.042 -7.578 1.00 0.00 C ATOM 592 C GLN A 42 -26.257 5.168 -8.103 1.00 0.00 C ATOM 593 O GLN A 42 -25.226 4.844 -8.690 1.00 0.00 O ATOM 594 CB GLN A 42 -27.354 3.959 -6.046 1.00 0.00 C ATOM 595 CG GLN A 42 -26.075 4.091 -5.220 1.00 0.00 C ATOM 596 CD GLN A 42 -26.389 3.811 -3.746 1.00 0.00 C ATOM 597 OE1 GLN A 42 -26.717 2.676 -3.380 1.00 0.00 O ATOM 598 NE2 GLN A 42 -26.283 4.873 -2.890 1.00 0.00 N ATOM 0 H GLN A 42 -25.938 2.372 -7.360 1.00 0.00 H new ATOM 0 HA GLN A 42 -28.137 4.246 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -28.048 4.744 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -27.828 3.007 -5.809 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -25.322 3.391 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -25.659 5.093 -5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -26.008 5.789 -3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -26.479 4.749 -1.897 1.00 0.00 H new ATOM 607 N PRO A 43 -26.550 6.473 -8.003 1.00 0.00 N ATOM 608 CA PRO A 43 -25.750 7.516 -8.629 1.00 0.00 C ATOM 609 C PRO A 43 -24.436 7.642 -7.924 1.00 0.00 C ATOM 610 O PRO A 43 -24.328 7.207 -6.782 1.00 0.00 O ATOM 611 CB PRO A 43 -26.589 8.791 -8.470 1.00 0.00 C ATOM 612 CG PRO A 43 -27.424 8.547 -7.213 1.00 0.00 C ATOM 613 CD PRO A 43 -27.661 7.034 -7.238 1.00 0.00 C ATOM 0 HA PRO A 43 -25.523 7.309 -9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -25.956 9.671 -8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -27.223 8.960 -9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -26.895 8.857 -6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.362 9.102 -7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.687 6.625 -6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -28.617 6.795 -7.703 1.00 0.00 H new ATOM 621 N ASP A 44 -23.424 8.203 -8.620 1.00 0.00 N ATOM 622 CA ASP A 44 -22.091 8.397 -8.106 1.00 0.00 C ATOM 623 C ASP A 44 -22.005 9.716 -7.372 1.00 0.00 C ATOM 624 O ASP A 44 -20.998 10.420 -7.445 1.00 0.00 O ATOM 625 CB ASP A 44 -21.007 8.280 -9.221 1.00 0.00 C ATOM 626 CG ASP A 44 -21.169 9.292 -10.365 1.00 0.00 C ATOM 627 OD1 ASP A 44 -22.159 9.180 -11.135 1.00 0.00 O ATOM 628 OD2 ASP A 44 -20.287 10.186 -10.487 1.00 0.00 O ATOM 0 H ASP A 44 -23.536 8.535 -9.578 1.00 0.00 H new ATOM 0 HA ASP A 44 -21.882 7.595 -7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -20.023 8.412 -8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -21.035 7.272 -9.636 1.00 0.00 H new ATOM 633 N LEU A 45 -23.081 10.073 -6.633 1.00 0.00 N ATOM 634 CA LEU A 45 -23.158 11.294 -5.868 1.00 0.00 C ATOM 635 C LEU A 45 -22.708 11.020 -4.465 1.00 0.00 C ATOM 636 O LEU A 45 -21.605 11.401 -4.074 1.00 0.00 O ATOM 637 CB LEU A 45 -24.574 11.926 -5.941 1.00 0.00 C ATOM 638 CG LEU A 45 -24.695 13.442 -5.619 1.00 0.00 C ATOM 639 CD1 LEU A 45 -24.471 13.807 -4.137 1.00 0.00 C ATOM 640 CD2 LEU A 45 -23.834 14.321 -6.550 1.00 0.00 C ATOM 0 H LEU A 45 -23.921 9.498 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 45 -22.489 12.039 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -24.965 11.762 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.222 11.382 -5.254 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.742 13.668 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.575 14.884 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -25.210 13.295 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -23.470 13.500 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.958 15.369 -6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -22.785 14.042 -6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.149 14.174 -7.583 1.00 0.00 H new ATOM 652 N ILE A 46 -23.564 10.337 -3.682 1.00 0.00 N ATOM 653 CA ILE A 46 -23.331 10.010 -2.297 1.00 0.00 C ATOM 654 C ILE A 46 -22.348 8.877 -2.169 1.00 0.00 C ATOM 655 O ILE A 46 -21.377 9.088 -1.439 1.00 0.00 O ATOM 656 CB ILE A 46 -24.650 9.702 -1.596 1.00 0.00 C ATOM 657 CG1 ILE A 46 -25.578 10.945 -1.645 1.00 0.00 C ATOM 658 CG2 ILE A 46 -24.415 9.203 -0.150 1.00 0.00 C ATOM 659 CD1 ILE A 46 -26.967 10.724 -1.037 1.00 0.00 C ATOM 0 H ILE A 46 -24.461 9.994 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 46 -22.887 10.875 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 46 -25.150 8.890 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -25.092 11.767 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -25.695 11.255 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -25.374 8.992 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -23.814 8.294 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -23.891 9.971 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -27.548 11.643 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -27.477 9.926 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -26.865 10.446 0.012 1.00 0.00 H new ATOM 671 N PRO A 47 -22.464 7.688 -2.766 1.00 0.00 N ATOM 672 CA PRO A 47 -21.611 6.582 -2.403 1.00 0.00 C ATOM 673 C PRO A 47 -20.254 6.695 -3.040 1.00 0.00 C ATOM 674 O PRO A 47 -19.417 5.864 -2.711 1.00 0.00 O ATOM 675 CB PRO A 47 -22.329 5.360 -2.965 1.00 0.00 C ATOM 676 CG PRO A 47 -22.992 5.912 -4.217 1.00 0.00 C ATOM 677 CD PRO A 47 -23.481 7.271 -3.731 1.00 0.00 C ATOM 0 HA PRO A 47 -21.447 6.541 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -21.634 4.553 -3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -23.060 4.960 -2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -22.291 6.002 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -23.811 5.280 -4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -23.567 7.982 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -24.465 7.199 -3.268 1.00 0.00 H new ATOM 685 N LEU A 48 -20.003 7.693 -3.928 1.00 0.00 N ATOM 686 CA LEU A 48 -18.704 7.915 -4.525 1.00 0.00 C ATOM 687 C LEU A 48 -17.776 8.448 -3.475 1.00 0.00 C ATOM 688 O LEU A 48 -16.586 8.142 -3.485 1.00 0.00 O ATOM 689 CB LEU A 48 -18.772 8.909 -5.712 1.00 0.00 C ATOM 690 CG LEU A 48 -17.418 9.286 -6.376 1.00 0.00 C ATOM 691 CD1 LEU A 48 -17.536 9.357 -7.910 1.00 0.00 C ATOM 692 CD2 LEU A 48 -16.832 10.608 -5.833 1.00 0.00 C ATOM 0 H LEU A 48 -20.714 8.356 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 48 -18.340 6.965 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -19.421 8.483 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.248 9.825 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.728 8.485 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.569 9.623 -8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.849 8.387 -8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.274 10.111 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.887 10.820 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.533 11.421 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.662 10.517 -4.760 1.00 0.00 H new ATOM 704 N LEU A 49 -18.324 9.247 -2.530 1.00 0.00 N ATOM 705 CA LEU A 49 -17.586 9.882 -1.472 1.00 0.00 C ATOM 706 C LEU A 49 -17.127 8.868 -0.460 1.00 0.00 C ATOM 707 O LEU A 49 -15.981 8.906 -0.022 1.00 0.00 O ATOM 708 CB LEU A 49 -18.355 11.091 -0.889 1.00 0.00 C ATOM 709 CG LEU A 49 -18.721 11.165 0.613 1.00 0.00 C ATOM 710 CD1 LEU A 49 -17.548 11.246 1.612 1.00 0.00 C ATOM 711 CD2 LEU A 49 -19.577 12.425 0.786 1.00 0.00 C ATOM 0 H LEU A 49 -19.322 9.458 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 49 -16.672 10.315 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -17.768 11.981 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -19.288 11.173 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.219 10.225 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.938 11.293 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -16.918 10.363 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.958 12.139 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -19.865 12.528 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.003 13.300 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -20.472 12.344 0.169 1.00 0.00 H new ATOM 723 N ARG A 50 -17.987 7.906 -0.060 1.00 0.00 N ATOM 724 CA ARG A 50 -17.544 6.872 0.860 1.00 0.00 C ATOM 725 C ARG A 50 -16.606 5.863 0.212 1.00 0.00 C ATOM 726 O ARG A 50 -15.728 5.322 0.882 1.00 0.00 O ATOM 727 CB ARG A 50 -18.691 6.227 1.678 1.00 0.00 C ATOM 728 CG ARG A 50 -19.868 5.645 0.882 1.00 0.00 C ATOM 729 CD ARG A 50 -19.680 4.193 0.431 1.00 0.00 C ATOM 730 NE ARG A 50 -20.896 3.769 -0.331 1.00 0.00 N ATOM 731 CZ ARG A 50 -21.244 2.460 -0.514 1.00 0.00 C ATOM 732 NH1 ARG A 50 -20.507 1.450 0.031 1.00 0.00 N ATOM 733 NH2 ARG A 50 -22.352 2.163 -1.255 1.00 0.00 N ATOM 0 H ARG A 50 -18.960 7.835 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.941 7.389 1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -18.266 5.430 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -19.083 6.978 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -20.769 5.708 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -20.036 6.266 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -18.791 4.103 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -19.530 3.545 1.294 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.494 4.491 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -19.679 1.665 0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -20.784 0.479 -0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -22.908 2.914 -1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -22.623 1.190 -1.400 1.00 0.00 H new ATOM 747 N THR A 51 -16.735 5.625 -1.118 1.00 0.00 N ATOM 748 CA THR A 51 -15.854 4.781 -1.910 1.00 0.00 C ATOM 749 C THR A 51 -14.447 5.303 -1.951 1.00 0.00 C ATOM 750 O THR A 51 -13.511 4.522 -1.774 1.00 0.00 O ATOM 751 CB THR A 51 -16.357 4.610 -3.331 1.00 0.00 C ATOM 752 OG1 THR A 51 -17.579 3.884 -3.315 1.00 0.00 O ATOM 753 CG2 THR A 51 -15.379 3.850 -4.252 1.00 0.00 C ATOM 0 H THR A 51 -17.486 6.037 -1.671 1.00 0.00 H new ATOM 0 HA THR A 51 -15.854 3.812 -1.411 1.00 0.00 H new ATOM 0 HB THR A 51 -16.476 5.618 -3.729 1.00 0.00 H new ATOM 0 HG1 THR A 51 -18.318 4.492 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.809 3.768 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.435 4.392 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 51 -15.202 2.852 -3.850 1.00 0.00 H new ATOM 761 N GLN A 52 -14.264 6.634 -2.182 1.00 0.00 N ATOM 762 CA GLN A 52 -12.961 7.267 -2.251 1.00 0.00 C ATOM 763 C GLN A 52 -12.254 7.073 -0.967 1.00 0.00 C ATOM 764 O GLN A 52 -11.206 6.452 -0.966 1.00 0.00 O ATOM 765 CB GLN A 52 -12.939 8.754 -2.688 1.00 0.00 C ATOM 766 CG GLN A 52 -13.909 9.734 -2.010 1.00 0.00 C ATOM 767 CD GLN A 52 -13.575 11.177 -2.408 1.00 0.00 C ATOM 768 OE1 GLN A 52 -14.291 11.789 -3.210 1.00 0.00 O ATOM 769 NE2 GLN A 52 -12.466 11.721 -1.818 1.00 0.00 N ATOM 0 H GLN A 52 -15.038 7.283 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.439 6.764 -3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.927 9.129 -2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.131 8.787 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.934 9.499 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.848 9.625 -0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.913 11.168 -1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.192 12.680 -2.033 1.00 0.00 H new ATOM 778 N PHE A 53 -12.876 7.476 0.153 1.00 0.00 N ATOM 779 CA PHE A 53 -12.394 7.374 1.519 1.00 0.00 C ATOM 780 C PHE A 53 -11.777 6.045 1.821 1.00 0.00 C ATOM 781 O PHE A 53 -10.800 5.977 2.564 1.00 0.00 O ATOM 782 CB PHE A 53 -13.570 7.614 2.513 1.00 0.00 C ATOM 783 CG PHE A 53 -13.106 7.771 3.941 1.00 0.00 C ATOM 784 CD1 PHE A 53 -12.289 8.852 4.315 1.00 0.00 C ATOM 785 CD2 PHE A 53 -13.468 6.822 4.914 1.00 0.00 C ATOM 786 CE1 PHE A 53 -11.836 8.977 5.635 1.00 0.00 C ATOM 787 CE2 PHE A 53 -13.016 6.945 6.233 1.00 0.00 C ATOM 788 CZ PHE A 53 -12.199 8.024 6.594 1.00 0.00 C ATOM 0 H PHE A 53 -13.797 7.913 0.112 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.622 8.135 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -14.117 8.508 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.267 6.779 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -12.008 9.592 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.101 5.990 4.641 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.206 9.809 5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -13.297 6.209 6.972 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.849 8.121 7.611 1.00 0.00 H new ATOM 798 N PHE A 54 -12.337 4.969 1.226 1.00 0.00 N ATOM 799 CA PHE A 54 -11.806 3.641 1.393 1.00 0.00 C ATOM 800 C PHE A 54 -10.579 3.288 0.622 1.00 0.00 C ATOM 801 O PHE A 54 -9.640 2.784 1.231 1.00 0.00 O ATOM 802 CB PHE A 54 -12.862 2.505 1.287 1.00 0.00 C ATOM 803 CG PHE A 54 -13.454 2.246 2.650 1.00 0.00 C ATOM 804 CD1 PHE A 54 -14.204 3.236 3.304 1.00 0.00 C ATOM 805 CD2 PHE A 54 -13.230 1.022 3.308 1.00 0.00 C ATOM 806 CE1 PHE A 54 -14.699 3.026 4.596 1.00 0.00 C ATOM 807 CE2 PHE A 54 -13.728 0.807 4.600 1.00 0.00 C ATOM 808 CZ PHE A 54 -14.460 1.810 5.246 1.00 0.00 C ATOM 0 H PHE A 54 -13.161 5.018 0.627 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.473 3.708 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.647 2.786 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.399 1.597 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.402 4.172 2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.670 0.242 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -15.265 3.801 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.547 -0.134 5.098 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.839 1.646 6.244 1.00 0.00 H new ATOM 818 N ILE A 55 -10.497 3.529 -0.704 1.00 0.00 N ATOM 819 CA ILE A 55 -9.297 3.191 -1.451 1.00 0.00 C ATOM 820 C ILE A 55 -8.127 4.069 -1.037 1.00 0.00 C ATOM 821 O ILE A 55 -6.972 3.673 -1.160 1.00 0.00 O ATOM 822 CB ILE A 55 -9.501 3.206 -2.961 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.011 4.570 -3.491 1.00 0.00 C ATOM 824 CG2 ILE A 55 -10.457 2.039 -3.302 1.00 0.00 C ATOM 825 CD1 ILE A 55 -10.148 4.632 -5.015 1.00 0.00 C ATOM 0 H ILE A 55 -11.242 3.950 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.058 2.159 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.544 3.070 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.980 4.785 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.327 5.354 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.631 2.013 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.009 1.097 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.406 2.183 -2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.510 5.618 -5.308 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.177 4.450 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.855 3.872 -5.348 1.00 0.00 H new ATOM 837 N VAL A 56 -8.449 5.268 -0.505 1.00 0.00 N ATOM 838 CA VAL A 56 -7.598 6.317 0.005 1.00 0.00 C ATOM 839 C VAL A 56 -7.025 5.975 1.332 1.00 0.00 C ATOM 840 O VAL A 56 -5.847 6.226 1.569 1.00 0.00 O ATOM 841 CB VAL A 56 -8.408 7.588 0.119 1.00 0.00 C ATOM 842 CG1 VAL A 56 -7.657 8.771 0.746 1.00 0.00 C ATOM 843 CG2 VAL A 56 -8.876 7.968 -1.289 1.00 0.00 C ATOM 0 H VAL A 56 -9.430 5.535 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.766 6.447 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.238 7.383 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.315 9.639 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.340 8.507 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.782 9.008 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.465 8.884 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.009 8.127 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.487 7.164 -1.699 1.00 0.00 H new ATOM 853 N MET A 57 -7.835 5.360 2.225 1.00 0.00 N ATOM 854 CA MET A 57 -7.365 4.731 3.449 1.00 0.00 C ATOM 855 C MET A 57 -6.232 3.763 3.171 1.00 0.00 C ATOM 856 O MET A 57 -5.285 3.660 3.951 1.00 0.00 O ATOM 857 CB MET A 57 -8.516 3.978 4.166 1.00 0.00 C ATOM 858 CG MET A 57 -8.099 3.009 5.291 1.00 0.00 C ATOM 859 SD MET A 57 -9.499 2.254 6.176 1.00 0.00 S ATOM 860 CE MET A 57 -10.003 1.116 4.849 1.00 0.00 C ATOM 0 H MET A 57 -8.845 5.294 2.100 1.00 0.00 H new ATOM 0 HA MET A 57 -6.999 5.527 4.097 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.199 4.716 4.586 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.075 3.415 3.419 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.483 2.217 4.865 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.477 3.546 6.007 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.705 0.383 5.246 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.481 1.680 4.048 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.125 0.603 4.457 1.00 0.00 H new ATOM 870 N GLY A 58 -6.302 3.063 2.015 1.00 0.00 N ATOM 871 CA GLY A 58 -5.314 2.093 1.624 1.00 0.00 C ATOM 872 C GLY A 58 -4.180 2.662 0.820 1.00 0.00 C ATOM 873 O GLY A 58 -3.163 1.998 0.632 1.00 0.00 O ATOM 0 H GLY A 58 -7.059 3.173 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.909 1.621 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.800 1.309 1.043 1.00 0.00 H new ATOM 877 N LEU A 59 -4.301 3.920 0.338 1.00 0.00 N ATOM 878 CA LEU A 59 -3.230 4.615 -0.344 1.00 0.00 C ATOM 879 C LEU A 59 -2.289 5.202 0.676 1.00 0.00 C ATOM 880 O LEU A 59 -1.128 5.445 0.364 1.00 0.00 O ATOM 881 CB LEU A 59 -3.747 5.750 -1.259 1.00 0.00 C ATOM 882 CG LEU A 59 -4.320 5.262 -2.613 1.00 0.00 C ATOM 883 CD1 LEU A 59 -5.112 6.380 -3.320 1.00 0.00 C ATOM 884 CD2 LEU A 59 -3.233 4.692 -3.547 1.00 0.00 C ATOM 0 H LEU A 59 -5.157 4.469 0.421 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.721 3.886 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.521 6.305 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.931 6.446 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.003 4.445 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.501 6.007 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.941 6.696 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.455 7.229 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.690 4.365 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.492 5.464 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.747 3.844 -3.065 1.00 0.00 H new ATOM 896 N VAL A 60 -2.781 5.416 1.922 1.00 0.00 N ATOM 897 CA VAL A 60 -2.048 5.899 3.073 1.00 0.00 C ATOM 898 C VAL A 60 -1.217 4.771 3.626 1.00 0.00 C ATOM 899 O VAL A 60 -0.145 4.990 4.183 1.00 0.00 O ATOM 900 CB VAL A 60 -2.977 6.467 4.138 1.00 0.00 C ATOM 901 CG1 VAL A 60 -2.244 6.808 5.456 1.00 0.00 C ATOM 902 CG2 VAL A 60 -3.633 7.735 3.556 1.00 0.00 C ATOM 0 H VAL A 60 -3.761 5.239 2.142 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.398 6.716 2.761 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.720 5.711 4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.958 7.208 6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.787 5.906 5.862 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.470 7.551 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.307 8.168 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.860 8.460 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.197 7.475 2.660 1.00 0.00 H new ATOM 912 N ASP A 61 -1.706 3.523 3.467 1.00 0.00 N ATOM 913 CA ASP A 61 -1.074 2.319 3.959 1.00 0.00 C ATOM 914 C ASP A 61 0.186 2.013 3.187 1.00 0.00 C ATOM 915 O ASP A 61 1.192 1.612 3.771 1.00 0.00 O ATOM 916 CB ASP A 61 -2.050 1.117 3.867 1.00 0.00 C ATOM 917 CG ASP A 61 -1.656 -0.052 4.777 1.00 0.00 C ATOM 918 OD1 ASP A 61 -0.651 -0.743 4.465 1.00 0.00 O ATOM 919 OD2 ASP A 61 -2.371 -0.276 5.790 1.00 0.00 O ATOM 0 H ASP A 61 -2.580 3.339 2.975 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.809 2.485 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.054 1.451 4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.090 0.768 2.835 1.00 0.00 H new ATOM 924 N ALA A 62 0.143 2.193 1.849 1.00 0.00 N ATOM 925 CA ALA A 62 1.264 1.943 0.969 1.00 0.00 C ATOM 926 C ALA A 62 2.169 3.133 0.864 1.00 0.00 C ATOM 927 O ALA A 62 3.312 2.970 0.455 1.00 0.00 O ATOM 928 CB ALA A 62 0.789 1.587 -0.452 1.00 0.00 C ATOM 0 H ALA A 62 -0.690 2.521 1.361 1.00 0.00 H new ATOM 0 HA ALA A 62 1.809 1.107 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.654 1.405 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.170 0.690 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.206 2.414 -0.859 1.00 0.00 H new ATOM 934 N ILE A 63 1.697 4.351 1.230 1.00 0.00 N ATOM 935 CA ILE A 63 2.438 5.591 1.223 1.00 0.00 C ATOM 936 C ILE A 63 3.797 5.601 1.878 1.00 0.00 C ATOM 937 O ILE A 63 4.711 6.105 1.229 1.00 0.00 O ATOM 938 CB ILE A 63 1.547 6.751 1.664 1.00 0.00 C ATOM 939 CG1 ILE A 63 1.313 7.727 0.486 1.00 0.00 C ATOM 940 CG2 ILE A 63 1.956 7.511 2.944 1.00 0.00 C ATOM 941 CD1 ILE A 63 2.569 8.512 0.079 1.00 0.00 C ATOM 0 H ILE A 63 0.737 4.477 1.551 1.00 0.00 H new ATOM 0 HA ILE A 63 2.719 5.724 0.178 1.00 0.00 H new ATOM 0 HB ILE A 63 0.617 6.266 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.952 7.164 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.527 8.431 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.238 8.307 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.972 6.821 3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.948 7.942 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.330 9.176 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.919 9.102 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.350 7.816 -0.226 1.00 0.00 H new ATOM 953 N PRO A 64 4.050 5.124 3.102 1.00 0.00 N ATOM 954 CA PRO A 64 5.312 5.381 3.769 1.00 0.00 C ATOM 955 C PRO A 64 6.312 4.383 3.268 1.00 0.00 C ATOM 956 O PRO A 64 7.502 4.530 3.534 1.00 0.00 O ATOM 957 CB PRO A 64 4.985 5.136 5.248 1.00 0.00 C ATOM 958 CG PRO A 64 3.884 4.063 5.237 1.00 0.00 C ATOM 959 CD PRO A 64 3.128 4.334 3.933 1.00 0.00 C ATOM 0 HA PRO A 64 5.725 6.376 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.864 4.795 5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.642 6.050 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.304 3.057 5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.230 4.151 6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.853 3.403 3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.204 4.880 4.121 1.00 0.00 H new ATOM 967 N MET A 65 5.810 3.363 2.546 1.00 0.00 N ATOM 968 CA MET A 65 6.552 2.282 2.000 1.00 0.00 C ATOM 969 C MET A 65 6.974 2.662 0.621 1.00 0.00 C ATOM 970 O MET A 65 8.049 2.269 0.191 1.00 0.00 O ATOM 971 CB MET A 65 5.674 1.018 1.958 1.00 0.00 C ATOM 972 CG MET A 65 6.015 0.059 3.104 1.00 0.00 C ATOM 973 SD MET A 65 5.855 0.714 4.793 1.00 0.00 S ATOM 974 CE MET A 65 6.530 -0.760 5.615 1.00 0.00 C ATOM 0 H MET A 65 4.815 3.296 2.333 1.00 0.00 H new ATOM 0 HA MET A 65 7.428 2.071 2.614 1.00 0.00 H new ATOM 0 HB2 MET A 65 4.623 1.301 2.020 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.812 0.510 1.004 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.373 -0.817 3.017 1.00 0.00 H new ATOM 0 HG3 MET A 65 7.041 -0.283 2.968 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.538 -0.604 6.694 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.910 -1.625 5.378 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.548 -0.937 5.267 1.00 0.00 H new ATOM 984 N ILE A 66 6.136 3.421 -0.117 1.00 0.00 N ATOM 985 CA ILE A 66 6.399 3.791 -1.486 1.00 0.00 C ATOM 986 C ILE A 66 7.267 5.007 -1.561 1.00 0.00 C ATOM 987 O ILE A 66 7.940 5.200 -2.565 1.00 0.00 O ATOM 988 CB ILE A 66 5.106 3.917 -2.297 1.00 0.00 C ATOM 989 CG1 ILE A 66 5.162 3.142 -3.641 1.00 0.00 C ATOM 990 CG2 ILE A 66 4.587 5.370 -2.431 1.00 0.00 C ATOM 991 CD1 ILE A 66 6.176 3.650 -4.672 1.00 0.00 C ATOM 0 H ILE A 66 5.255 3.788 0.243 1.00 0.00 H new ATOM 0 HA ILE A 66 6.963 2.984 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 66 4.341 3.416 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.386 2.097 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.171 3.168 -4.093 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.669 5.376 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.386 5.778 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.340 5.981 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.124 3.032 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.946 4.684 -4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.180 3.596 -4.252 1.00 0.00 H new ATOM 1003 N ALA A 67 7.276 5.838 -0.496 1.00 0.00 N ATOM 1004 CA ALA A 67 8.114 7.012 -0.378 1.00 0.00 C ATOM 1005 C ALA A 67 9.473 6.627 0.134 1.00 0.00 C ATOM 1006 O ALA A 67 10.469 7.243 -0.242 1.00 0.00 O ATOM 1007 CB ALA A 67 7.511 8.044 0.592 1.00 0.00 C ATOM 0 H ALA A 67 6.678 5.691 0.317 1.00 0.00 H new ATOM 0 HA ALA A 67 8.188 7.455 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.168 8.912 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.532 8.356 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.406 7.596 1.580 1.00 0.00 H new ATOM 1013 N VAL A 68 9.556 5.568 0.982 1.00 0.00 N ATOM 1014 CA VAL A 68 10.836 5.044 1.432 1.00 0.00 C ATOM 1015 C VAL A 68 11.373 4.148 0.363 1.00 0.00 C ATOM 1016 O VAL A 68 12.578 4.002 0.205 1.00 0.00 O ATOM 1017 CB VAL A 68 10.752 4.338 2.784 1.00 0.00 C ATOM 1018 CG1 VAL A 68 10.279 2.872 2.706 1.00 0.00 C ATOM 1019 CG2 VAL A 68 12.101 4.448 3.514 1.00 0.00 C ATOM 0 H VAL A 68 8.745 5.075 1.356 1.00 0.00 H new ATOM 0 HA VAL A 68 11.520 5.877 1.598 1.00 0.00 H new ATOM 0 HB VAL A 68 9.979 4.853 3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.248 2.446 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.283 2.834 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.971 2.299 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.035 3.943 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.880 3.981 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.345 5.499 3.671 1.00 0.00 H new ATOM 1029 N GLY A 69 10.453 3.577 -0.437 1.00 0.00 N ATOM 1030 CA GLY A 69 10.752 2.741 -1.564 1.00 0.00 C ATOM 1031 C GLY A 69 11.166 3.563 -2.735 1.00 0.00 C ATOM 1032 O GLY A 69 11.744 3.042 -3.674 1.00 0.00 O ATOM 0 H GLY A 69 9.451 3.704 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.548 2.043 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.877 2.145 -1.823 1.00 0.00 H new ATOM 1036 N LEU A 70 10.877 4.876 -2.695 1.00 0.00 N ATOM 1037 CA LEU A 70 11.256 5.855 -3.680 1.00 0.00 C ATOM 1038 C LEU A 70 12.667 6.287 -3.431 1.00 0.00 C ATOM 1039 O LEU A 70 13.411 6.590 -4.357 1.00 0.00 O ATOM 1040 CB LEU A 70 10.336 7.095 -3.590 1.00 0.00 C ATOM 1041 CG LEU A 70 9.728 7.500 -4.943 1.00 0.00 C ATOM 1042 CD1 LEU A 70 8.559 8.486 -4.755 1.00 0.00 C ATOM 1043 CD2 LEU A 70 10.764 8.038 -5.948 1.00 0.00 C ATOM 0 H LEU A 70 10.344 5.285 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 70 11.164 5.408 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.531 6.891 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.906 7.934 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 70 9.337 6.583 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.149 8.754 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.782 8.018 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.918 9.384 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.264 8.304 -6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.250 8.921 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.513 7.271 -6.145 1.00 0.00 H new ATOM 1055 N GLY A 71 13.067 6.305 -2.144 1.00 0.00 N ATOM 1056 CA GLY A 71 14.385 6.702 -1.715 1.00 0.00 C ATOM 1057 C GLY A 71 15.344 5.598 -2.033 1.00 0.00 C ATOM 1058 O GLY A 71 16.408 5.828 -2.600 1.00 0.00 O ATOM 0 H GLY A 71 12.456 6.035 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.686 7.621 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.388 6.909 -0.645 1.00 0.00 H new ATOM 1062 N LEU A 72 14.943 4.356 -1.685 1.00 0.00 N ATOM 1063 CA LEU A 72 15.655 3.134 -1.920 1.00 0.00 C ATOM 1064 C LEU A 72 15.805 2.818 -3.383 1.00 0.00 C ATOM 1065 O LEU A 72 16.858 2.345 -3.803 1.00 0.00 O ATOM 1066 CB LEU A 72 14.907 1.981 -1.213 1.00 0.00 C ATOM 1067 CG LEU A 72 15.426 1.736 0.222 1.00 0.00 C ATOM 1068 CD1 LEU A 72 15.518 2.951 1.170 1.00 0.00 C ATOM 1069 CD2 LEU A 72 14.639 0.597 0.884 1.00 0.00 C ATOM 0 H LEU A 72 14.057 4.198 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 72 16.661 3.253 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.842 2.210 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.017 1.068 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 72 16.471 1.467 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 72 15.897 2.628 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.193 3.694 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.528 3.390 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 72 15.014 0.435 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 72 13.583 0.862 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.760 -0.316 0.301 1.00 0.00 H new ATOM 1081 N TYR A 73 14.748 3.070 -4.191 1.00 0.00 N ATOM 1082 CA TYR A 73 14.731 2.657 -5.587 1.00 0.00 C ATOM 1083 C TYR A 73 15.512 3.599 -6.475 1.00 0.00 C ATOM 1084 O TYR A 73 16.050 3.168 -7.492 1.00 0.00 O ATOM 1085 CB TYR A 73 13.316 2.468 -6.188 1.00 0.00 C ATOM 1086 CG TYR A 73 13.338 1.573 -7.402 1.00 0.00 C ATOM 1087 CD1 TYR A 73 13.430 0.179 -7.242 1.00 0.00 C ATOM 1088 CD2 TYR A 73 13.294 2.113 -8.697 1.00 0.00 C ATOM 1089 CE1 TYR A 73 13.469 -0.661 -8.361 1.00 0.00 C ATOM 1090 CE2 TYR A 73 13.337 1.274 -9.819 1.00 0.00 C ATOM 1091 CZ TYR A 73 13.420 -0.116 -9.651 1.00 0.00 C ATOM 1092 OH TYR A 73 13.464 -0.966 -10.778 1.00 0.00 O ATOM 0 H TYR A 73 13.905 3.557 -3.887 1.00 0.00 H new ATOM 0 HA TYR A 73 15.211 1.679 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.655 2.041 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 73 12.904 3.440 -6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.471 -0.246 -6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 73 13.227 3.183 -8.830 1.00 0.00 H new ATOM 0 HE1 TYR A 73 13.537 -1.731 -8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.306 1.697 -10.812 1.00 0.00 H new ATOM 0 HH TYR A 73 13.419 -0.428 -11.596 1.00 0.00 H new ATOM 1102 N VAL A 74 15.609 4.902 -6.117 1.00 0.00 N ATOM 1103 CA VAL A 74 16.401 5.869 -6.860 1.00 0.00 C ATOM 1104 C VAL A 74 17.866 5.594 -6.628 1.00 0.00 C ATOM 1105 O VAL A 74 18.689 5.793 -7.519 1.00 0.00 O ATOM 1106 CB VAL A 74 16.054 7.306 -6.484 1.00 0.00 C ATOM 1107 CG1 VAL A 74 17.066 8.340 -7.033 1.00 0.00 C ATOM 1108 CG2 VAL A 74 14.647 7.606 -7.042 1.00 0.00 C ATOM 0 H VAL A 74 15.135 5.296 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 74 16.170 5.759 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 74 16.088 7.396 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 74 16.762 9.342 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.058 8.126 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 74 17.092 8.281 -8.121 1.00 0.00 H new ATOM 0 HG21 VAL A 74 14.366 8.629 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.652 7.487 -8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 13.927 6.914 -6.605 1.00 0.00 H new ATOM 1118 N MET A 75 18.217 5.093 -5.420 1.00 0.00 N ATOM 1119 CA MET A 75 19.579 4.773 -5.060 1.00 0.00 C ATOM 1120 C MET A 75 20.016 3.460 -5.665 1.00 0.00 C ATOM 1121 O MET A 75 21.208 3.201 -5.806 1.00 0.00 O ATOM 1122 CB MET A 75 19.795 4.735 -3.534 1.00 0.00 C ATOM 1123 CG MET A 75 19.703 6.122 -2.875 1.00 0.00 C ATOM 1124 SD MET A 75 21.007 7.283 -3.390 1.00 0.00 S ATOM 1125 CE MET A 75 20.325 8.704 -2.488 1.00 0.00 C ATOM 0 H MET A 75 17.543 4.906 -4.677 1.00 0.00 H new ATOM 0 HA MET A 75 20.193 5.577 -5.466 1.00 0.00 H new ATOM 0 HB2 MET A 75 19.052 4.076 -3.085 1.00 0.00 H new ATOM 0 HB3 MET A 75 20.773 4.303 -3.322 1.00 0.00 H new ATOM 0 HG2 MET A 75 18.732 6.558 -3.108 1.00 0.00 H new ATOM 0 HG3 MET A 75 19.747 6.001 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 75 20.962 9.574 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 75 19.321 8.919 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 75 20.282 8.473 -1.424 1.00 0.00 H new ATOM 1135 N PHE A 76 19.038 2.616 -6.060 1.00 0.00 N ATOM 1136 CA PHE A 76 19.239 1.399 -6.811 1.00 0.00 C ATOM 1137 C PHE A 76 19.486 1.762 -8.257 1.00 0.00 C ATOM 1138 O PHE A 76 20.296 1.127 -8.931 1.00 0.00 O ATOM 1139 CB PHE A 76 18.017 0.444 -6.629 1.00 0.00 C ATOM 1140 CG PHE A 76 17.911 -0.632 -7.680 1.00 0.00 C ATOM 1141 CD1 PHE A 76 18.764 -1.745 -7.662 1.00 0.00 C ATOM 1142 CD2 PHE A 76 17.028 -0.463 -8.761 1.00 0.00 C ATOM 1143 CE1 PHE A 76 18.766 -2.654 -8.727 1.00 0.00 C ATOM 1144 CE2 PHE A 76 17.014 -1.381 -9.818 1.00 0.00 C ATOM 1145 CZ PHE A 76 17.889 -2.474 -9.803 1.00 0.00 C ATOM 0 H PHE A 76 18.056 2.788 -5.846 1.00 0.00 H new ATOM 0 HA PHE A 76 20.110 0.857 -6.443 1.00 0.00 H new ATOM 0 HB2 PHE A 76 18.081 -0.027 -5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 76 17.102 1.037 -6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 76 19.424 -1.902 -6.821 1.00 0.00 H new ATOM 0 HD2 PHE A 76 16.355 0.382 -8.776 1.00 0.00 H new ATOM 0 HE1 PHE A 76 19.444 -3.494 -8.718 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.330 -1.246 -10.643 1.00 0.00 H new ATOM 0 HZ PHE A 76 17.887 -3.178 -10.622 1.00 0.00 H new ATOM 1155 N ALA A 77 18.773 2.792 -8.755 1.00 0.00 N ATOM 1156 CA ALA A 77 18.723 3.141 -10.150 1.00 0.00 C ATOM 1157 C ALA A 77 19.925 3.935 -10.571 1.00 0.00 C ATOM 1158 O ALA A 77 20.214 4.031 -11.763 1.00 0.00 O ATOM 1159 CB ALA A 77 17.491 4.011 -10.449 1.00 0.00 C ATOM 0 H ALA A 77 18.210 3.406 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 77 18.685 2.199 -10.697 1.00 0.00 H new ATOM 0 HB1 ALA A 77 17.473 4.264 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.586 3.461 -10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 77 17.540 4.926 -9.859 1.00 0.00 H new ATOM 1165 N VAL A 78 20.645 4.540 -9.595 1.00 0.00 N ATOM 1166 CA VAL A 78 21.679 5.515 -9.888 1.00 0.00 C ATOM 1167 C VAL A 78 22.960 4.799 -10.217 1.00 0.00 C ATOM 1168 O VAL A 78 23.544 5.015 -11.279 1.00 0.00 O ATOM 1169 CB VAL A 78 21.838 6.594 -8.812 1.00 0.00 C ATOM 1170 CG1 VAL A 78 22.340 6.079 -7.446 1.00 0.00 C ATOM 1171 CG2 VAL A 78 22.700 7.751 -9.357 1.00 0.00 C ATOM 0 H VAL A 78 20.514 4.357 -8.600 1.00 0.00 H new ATOM 0 HA VAL A 78 21.368 6.083 -10.765 1.00 0.00 H new ATOM 0 HB VAL A 78 20.836 6.963 -8.593 1.00 0.00 H new ATOM 0 HG11 VAL A 78 22.421 6.914 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.636 5.346 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.318 5.613 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 78 22.810 8.516 -8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 78 23.683 7.372 -9.636 1.00 0.00 H new ATOM 0 HG23 VAL A 78 22.216 8.184 -10.233 1.00 0.00 H new ATOM 1181 N ALA A 79 23.396 3.898 -9.315 1.00 0.00 N ATOM 1182 CA ALA A 79 24.579 3.094 -9.492 1.00 0.00 C ATOM 1183 C ALA A 79 24.171 1.807 -10.221 1.00 0.00 C ATOM 1184 O ALA A 79 24.753 1.532 -11.304 1.00 0.00 O ATOM 1185 CB ALA A 79 25.244 2.727 -8.154 1.00 0.00 C ATOM 1186 OXT ALA A 79 23.272 1.088 -9.709 1.00 0.00 O ATOM 0 H ALA A 79 22.914 3.720 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 79 25.305 3.670 -10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 79 26.130 2.121 -8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 79 25.532 3.638 -7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 79 24.542 2.162 -7.542 1.00 0.00 H new TER 1192 ALA A 79