USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 CYS N :NH3+ -161:sc= 1.07 (180deg=0.436) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.237 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.03! C(o=-1!,f=-8.7!) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -1.31 (180deg=-2.19!) USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= -0.114 (180deg=-1.04) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= -0.105 (180deg=-0.738) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00904 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.473 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.167 F(o=-1.2!,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -8.8! (180deg=-8.87!) USER MOD Single : A 35 ASN : amide:sc= -1.05! C(o=-1!,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0869 X(o=-0.087,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 162:sc= -0.616 USER MOD Single : A 53 ASN : amide:sc= -4.48! C(o=-4.5!,f=-15!) USER MOD Single : A 54 GLN :FLIP amide:sc=-3.1e-05 F(o=-1.1,f=-3.1e-05) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 41.868 -12.441 -2.495 1.00 1.00 N ATOM 2 CA CYS A 1 41.301 -13.814 -2.384 1.00 1.00 C ATOM 3 C CYS A 1 42.327 -14.821 -2.888 1.00 1.00 C ATOM 4 O CYS A 1 43.231 -14.472 -3.646 1.00 1.00 O ATOM 5 CB CYS A 1 40.017 -13.900 -3.218 1.00 1.00 C ATOM 6 SG CYS A 1 40.236 -12.973 -4.756 1.00 1.00 S ATOM 0 H1 CYS A 1 41.336 -11.795 -1.877 1.00 1.00 H new ATOM 0 H2 CYS A 1 42.867 -12.453 -2.205 1.00 1.00 H new ATOM 0 H3 CYS A 1 41.797 -12.115 -3.480 1.00 1.00 H new ATOM 0 HA CYS A 1 41.063 -14.038 -1.344 1.00 1.00 H new ATOM 0 HB2 CYS A 1 39.783 -14.941 -3.438 1.00 1.00 H new ATOM 0 HB3 CYS A 1 39.176 -13.496 -2.654 1.00 1.00 H new ATOM 0 HG CYS A 1 39.149 -13.047 -5.466 1.00 1.00 H new ATOM 14 N SER A 2 42.175 -16.071 -2.463 1.00 1.00 N ATOM 15 CA SER A 2 43.090 -17.130 -2.874 1.00 1.00 C ATOM 16 C SER A 2 44.525 -16.793 -2.479 1.00 1.00 C ATOM 17 O SER A 2 44.997 -15.678 -2.697 1.00 1.00 O ATOM 18 CB SER A 2 43.011 -17.323 -4.389 1.00 1.00 C ATOM 19 OG SER A 2 43.611 -18.563 -4.737 1.00 1.00 O ATOM 0 H SER A 2 41.430 -16.375 -1.836 1.00 1.00 H new ATOM 0 HA SER A 2 42.797 -18.050 -2.369 1.00 1.00 H new ATOM 0 HB2 SER A 2 41.971 -17.305 -4.716 1.00 1.00 H new ATOM 0 HB3 SER A 2 43.519 -16.504 -4.898 1.00 1.00 H new ATOM 0 HG SER A 2 43.560 -18.690 -5.707 1.00 1.00 H new ATOM 25 N LYS A 3 45.217 -17.767 -1.894 1.00 1.00 N ATOM 26 CA LYS A 3 46.600 -17.563 -1.473 1.00 1.00 C ATOM 27 C LYS A 3 46.733 -16.225 -0.757 1.00 1.00 C ATOM 28 O LYS A 3 47.085 -15.213 -1.364 1.00 1.00 O ATOM 29 CB LYS A 3 47.520 -17.587 -2.694 1.00 1.00 C ATOM 30 CG LYS A 3 47.196 -18.810 -3.560 1.00 1.00 C ATOM 31 CD LYS A 3 47.389 -20.097 -2.751 1.00 1.00 C ATOM 32 CE LYS A 3 47.442 -21.296 -3.699 1.00 1.00 C ATOM 33 NZ LYS A 3 47.690 -22.534 -2.910 1.00 1.00 N ATOM 0 H LYS A 3 44.847 -18.698 -1.702 1.00 1.00 H new ATOM 0 HA LYS A 3 46.886 -18.363 -0.790 1.00 1.00 H new ATOM 0 HB2 LYS A 3 47.393 -16.674 -3.275 1.00 1.00 H new ATOM 0 HB3 LYS A 3 48.562 -17.620 -2.376 1.00 1.00 H new ATOM 0 HG2 LYS A 3 46.169 -18.748 -3.920 1.00 1.00 H new ATOM 0 HG3 LYS A 3 47.841 -18.824 -4.439 1.00 1.00 H new ATOM 0 HD2 LYS A 3 48.310 -20.039 -2.170 1.00 1.00 H new ATOM 0 HD3 LYS A 3 46.571 -20.218 -2.041 1.00 1.00 H new ATOM 0 HE2 LYS A 3 46.504 -21.382 -4.248 1.00 1.00 H new ATOM 0 HE3 LYS A 3 48.232 -21.157 -4.437 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 47.727 -23.352 -3.551 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 48.595 -22.448 -2.405 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 46.921 -22.667 -2.222 1.00 1.00 H new ATOM 47 N ASN A 4 46.443 -16.236 0.536 1.00 1.00 N ATOM 48 CA ASN A 4 46.528 -15.015 1.336 1.00 1.00 C ATOM 49 C ASN A 4 47.954 -14.479 1.316 1.00 1.00 C ATOM 50 O ASN A 4 48.203 -13.336 1.702 1.00 1.00 O ATOM 51 CB ASN A 4 46.106 -15.292 2.789 1.00 1.00 C ATOM 52 CG ASN A 4 46.662 -16.640 3.239 1.00 1.00 C ATOM 53 OD1 ASN A 4 47.405 -17.282 2.497 1.00 1.00 O ATOM 54 ND2 ASN A 4 46.352 -17.109 4.418 1.00 1.00 N ATOM 0 H ASN A 4 46.150 -17.065 1.052 1.00 1.00 H new ATOM 0 HA ASN A 4 45.854 -14.274 0.907 1.00 1.00 H new ATOM 0 HB2 ASN A 4 46.474 -14.500 3.442 1.00 1.00 H new ATOM 0 HB3 ASN A 4 45.019 -15.292 2.868 1.00 1.00 H new ATOM 0 HD21 ASN A 4 46.726 -18.007 4.724 1.00 1.00 H new ATOM 0 HD22 ASN A 4 45.736 -16.577 5.033 1.00 1.00 H new ATOM 61 N ARG A 5 48.883 -15.313 0.869 1.00 1.00 N ATOM 62 CA ARG A 5 50.284 -14.913 0.805 1.00 1.00 C ATOM 63 C ARG A 5 50.471 -13.778 -0.198 1.00 1.00 C ATOM 64 O ARG A 5 51.247 -12.853 0.035 1.00 1.00 O ATOM 65 CB ARG A 5 51.165 -16.112 0.405 1.00 1.00 C ATOM 66 CG ARG A 5 52.572 -15.975 1.025 1.00 1.00 C ATOM 67 CD ARG A 5 52.576 -16.553 2.445 1.00 1.00 C ATOM 68 NE ARG A 5 53.869 -16.323 3.081 1.00 1.00 N ATOM 69 CZ ARG A 5 54.132 -15.179 3.709 1.00 1.00 C ATOM 70 NH1 ARG A 5 53.228 -14.239 3.761 1.00 1.00 N ATOM 71 NH2 ARG A 5 55.293 -14.997 4.274 1.00 1.00 N ATOM 0 H ARG A 5 48.696 -16.263 0.548 1.00 1.00 H new ATOM 0 HA ARG A 5 50.585 -14.564 1.793 1.00 1.00 H new ATOM 0 HB2 ARG A 5 50.702 -17.040 0.740 1.00 1.00 H new ATOM 0 HB3 ARG A 5 51.243 -16.168 -0.681 1.00 1.00 H new ATOM 0 HG2 ARG A 5 53.303 -16.498 0.408 1.00 1.00 H new ATOM 0 HG3 ARG A 5 52.868 -14.926 1.049 1.00 1.00 H new ATOM 0 HD2 ARG A 5 51.785 -16.091 3.036 1.00 1.00 H new ATOM 0 HD3 ARG A 5 52.365 -17.622 2.411 1.00 1.00 H new ATOM 0 HE ARG A 5 54.583 -17.051 3.044 1.00 1.00 H new ATOM 0 HH11 ARG A 5 52.319 -14.381 3.320 1.00 1.00 H new ATOM 0 HH12 ARG A 5 53.430 -13.363 4.242 1.00 1.00 H new ATOM 0 HH21 ARG A 5 56.000 -15.731 4.235 1.00 1.00 H new ATOM 0 HH22 ARG A 5 55.494 -14.120 4.755 1.00 1.00 H new ATOM 85 N LYS A 6 49.765 -13.872 -1.321 1.00 1.00 N ATOM 86 CA LYS A 6 49.868 -12.850 -2.367 1.00 1.00 C ATOM 87 C LYS A 6 51.317 -12.687 -2.830 1.00 1.00 C ATOM 88 O LYS A 6 51.610 -11.837 -3.669 1.00 1.00 O ATOM 89 CB LYS A 6 49.349 -11.510 -1.842 1.00 1.00 C ATOM 90 CG LYS A 6 47.844 -11.621 -1.573 1.00 1.00 C ATOM 91 CD LYS A 6 47.301 -10.308 -0.968 1.00 1.00 C ATOM 92 CE LYS A 6 46.821 -9.363 -2.078 1.00 1.00 C ATOM 93 NZ LYS A 6 47.956 -9.024 -2.980 1.00 1.00 N ATOM 0 H LYS A 6 49.121 -14.635 -1.532 1.00 1.00 H new ATOM 0 HA LYS A 6 49.263 -13.171 -3.215 1.00 1.00 H new ATOM 0 HB2 LYS A 6 49.875 -11.236 -0.927 1.00 1.00 H new ATOM 0 HB3 LYS A 6 49.543 -10.721 -2.569 1.00 1.00 H new ATOM 0 HG2 LYS A 6 47.319 -11.844 -2.502 1.00 1.00 H new ATOM 0 HG3 LYS A 6 47.651 -12.449 -0.891 1.00 1.00 H new ATOM 0 HD2 LYS A 6 46.478 -10.527 -0.288 1.00 1.00 H new ATOM 0 HD3 LYS A 6 48.080 -9.822 -0.380 1.00 1.00 H new ATOM 0 HE2 LYS A 6 46.020 -9.834 -2.648 1.00 1.00 H new ATOM 0 HE3 LYS A 6 46.408 -8.454 -1.641 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 47.735 -8.153 -3.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 48.817 -8.879 -2.415 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 48.110 -9.803 -3.652 1.00 1.00 H new ATOM 107 N ALA A 7 52.220 -13.499 -2.284 1.00 1.00 N ATOM 108 CA ALA A 7 53.628 -13.422 -2.658 1.00 1.00 C ATOM 109 C ALA A 7 54.385 -14.635 -2.133 1.00 1.00 C ATOM 110 O ALA A 7 54.404 -14.894 -0.932 1.00 1.00 O ATOM 111 CB ALA A 7 54.247 -12.144 -2.088 1.00 1.00 C ATOM 0 H ALA A 7 52.003 -14.212 -1.587 1.00 1.00 H new ATOM 0 HA ALA A 7 53.699 -13.406 -3.746 1.00 1.00 H new ATOM 0 HB1 ALA A 7 55.298 -12.092 -2.370 1.00 1.00 H new ATOM 0 HB2 ALA A 7 53.721 -11.276 -2.486 1.00 1.00 H new ATOM 0 HB3 ALA A 7 54.163 -12.152 -1.001 1.00 1.00 H new ATOM 117 N LYS A 8 55.007 -15.378 -3.042 1.00 1.00 N ATOM 118 CA LYS A 8 55.758 -16.566 -2.655 1.00 1.00 C ATOM 119 C LYS A 8 56.704 -16.978 -3.767 1.00 1.00 C ATOM 120 O LYS A 8 57.413 -17.978 -3.659 1.00 1.00 O ATOM 121 CB LYS A 8 54.794 -17.713 -2.356 1.00 1.00 C ATOM 122 CG LYS A 8 53.992 -18.075 -3.621 1.00 1.00 C ATOM 123 CD LYS A 8 52.990 -19.206 -3.309 1.00 1.00 C ATOM 124 CE LYS A 8 51.671 -18.616 -2.798 1.00 1.00 C ATOM 125 NZ LYS A 8 50.996 -17.883 -3.905 1.00 1.00 N ATOM 0 H LYS A 8 55.006 -15.181 -4.043 1.00 1.00 H new ATOM 0 HA LYS A 8 56.339 -16.335 -1.762 1.00 1.00 H new ATOM 0 HB2 LYS A 8 55.350 -18.583 -2.007 1.00 1.00 H new ATOM 0 HB3 LYS A 8 54.113 -17.427 -1.554 1.00 1.00 H new ATOM 0 HG2 LYS A 8 53.459 -17.197 -3.987 1.00 1.00 H new ATOM 0 HG3 LYS A 8 54.671 -18.389 -4.414 1.00 1.00 H new ATOM 0 HD2 LYS A 8 52.809 -19.799 -4.205 1.00 1.00 H new ATOM 0 HD3 LYS A 8 53.410 -19.879 -2.561 1.00 1.00 H new ATOM 0 HE2 LYS A 8 51.024 -19.411 -2.426 1.00 1.00 H new ATOM 0 HE3 LYS A 8 51.861 -17.942 -1.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 50.875 -16.885 -3.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 51.577 -17.943 -4.766 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 50.064 -18.308 -4.086 1.00 1.00 H new ATOM 139 N ALA A 9 56.697 -16.203 -4.838 1.00 1.00 N ATOM 140 CA ALA A 9 57.551 -16.499 -5.978 1.00 1.00 C ATOM 141 C ALA A 9 57.501 -15.367 -6.995 1.00 1.00 C ATOM 142 O ALA A 9 56.459 -14.739 -7.191 1.00 1.00 O ATOM 143 CB ALA A 9 57.105 -17.812 -6.639 1.00 1.00 C ATOM 0 H ALA A 9 56.116 -15.371 -4.943 1.00 1.00 H new ATOM 0 HA ALA A 9 58.576 -16.603 -5.623 1.00 1.00 H new ATOM 0 HB1 ALA A 9 57.749 -18.027 -7.492 1.00 1.00 H new ATOM 0 HB2 ALA A 9 57.176 -18.625 -5.917 1.00 1.00 H new ATOM 0 HB3 ALA A 9 56.074 -17.717 -6.978 1.00 1.00 H new ATOM 149 N LYS A 10 58.637 -15.118 -7.644 1.00 1.00 N ATOM 150 CA LYS A 10 58.739 -14.067 -8.660 1.00 1.00 C ATOM 151 C LYS A 10 58.741 -14.682 -10.066 1.00 1.00 C ATOM 152 O LYS A 10 58.122 -14.139 -10.981 1.00 1.00 O ATOM 153 CB LYS A 10 60.028 -13.231 -8.448 1.00 1.00 C ATOM 154 CG LYS A 10 60.495 -13.362 -6.992 1.00 1.00 C ATOM 155 CD LYS A 10 61.681 -12.414 -6.722 1.00 1.00 C ATOM 156 CE LYS A 10 61.167 -11.031 -6.308 1.00 1.00 C ATOM 157 NZ LYS A 10 60.516 -11.136 -4.974 1.00 1.00 N ATOM 0 H LYS A 10 59.504 -15.631 -7.485 1.00 1.00 H new ATOM 0 HA LYS A 10 57.874 -13.411 -8.562 1.00 1.00 H new ATOM 0 HB2 LYS A 10 60.811 -13.575 -9.124 1.00 1.00 H new ATOM 0 HB3 LYS A 10 59.838 -12.185 -8.686 1.00 1.00 H new ATOM 0 HG2 LYS A 10 59.672 -13.127 -6.317 1.00 1.00 H new ATOM 0 HG3 LYS A 10 60.790 -14.391 -6.789 1.00 1.00 H new ATOM 0 HD2 LYS A 10 62.314 -12.826 -5.936 1.00 1.00 H new ATOM 0 HD3 LYS A 10 62.299 -12.328 -7.616 1.00 1.00 H new ATOM 0 HE2 LYS A 10 61.991 -10.319 -6.270 1.00 1.00 H new ATOM 0 HE3 LYS A 10 60.457 -10.657 -7.045 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 60.635 -10.241 -4.458 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 59.502 -11.333 -5.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 60.955 -11.908 -4.433 1.00 1.00 H new ATOM 171 N PRO A 11 59.419 -15.797 -10.256 1.00 1.00 N ATOM 172 CA PRO A 11 59.488 -16.476 -11.587 1.00 1.00 C ATOM 173 C PRO A 11 58.109 -16.810 -12.137 1.00 1.00 C ATOM 174 O PRO A 11 57.363 -17.584 -11.549 1.00 1.00 O ATOM 175 CB PRO A 11 60.326 -17.741 -11.321 1.00 1.00 C ATOM 176 CG PRO A 11 61.086 -17.446 -10.067 1.00 1.00 C ATOM 177 CD PRO A 11 60.188 -16.531 -9.237 1.00 1.00 C ATOM 0 HA PRO A 11 59.933 -15.837 -12.350 1.00 1.00 H new ATOM 0 HB2 PRO A 11 59.690 -18.618 -11.200 1.00 1.00 H new ATOM 0 HB3 PRO A 11 61.001 -17.949 -12.151 1.00 1.00 H new ATOM 0 HG2 PRO A 11 61.316 -18.363 -9.525 1.00 1.00 H new ATOM 0 HG3 PRO A 11 62.036 -16.961 -10.291 1.00 1.00 H new ATOM 0 HD2 PRO A 11 59.537 -17.100 -8.574 1.00 1.00 H new ATOM 0 HD3 PRO A 11 60.771 -15.857 -8.610 1.00 1.00 H new ATOM 185 N VAL A 12 57.791 -16.211 -13.277 1.00 1.00 N ATOM 186 CA VAL A 12 56.503 -16.439 -13.919 1.00 1.00 C ATOM 187 C VAL A 12 56.384 -17.882 -14.370 1.00 1.00 C ATOM 188 O VAL A 12 55.286 -18.389 -14.596 1.00 1.00 O ATOM 189 CB VAL A 12 56.316 -15.514 -15.122 1.00 1.00 C ATOM 190 CG1 VAL A 12 54.915 -15.727 -15.694 1.00 1.00 C ATOM 191 CG2 VAL A 12 56.475 -14.058 -14.677 1.00 1.00 C ATOM 0 H VAL A 12 58.405 -15.566 -13.775 1.00 1.00 H new ATOM 0 HA VAL A 12 55.725 -16.223 -13.186 1.00 1.00 H new ATOM 0 HB VAL A 12 57.063 -15.738 -15.883 1.00 1.00 H new ATOM 0 HG11 VAL A 12 54.769 -15.072 -16.553 1.00 1.00 H new ATOM 0 HG12 VAL A 12 54.803 -16.765 -16.006 1.00 1.00 H new ATOM 0 HG13 VAL A 12 54.172 -15.495 -14.931 1.00 1.00 H new ATOM 0 HG21 VAL A 12 56.342 -13.399 -15.535 1.00 1.00 H new ATOM 0 HG22 VAL A 12 55.726 -13.825 -13.920 1.00 1.00 H new ATOM 0 HG23 VAL A 12 57.471 -13.912 -14.259 1.00 1.00 H new ATOM 201 N THR A 13 57.525 -18.533 -14.486 1.00 1.00 N ATOM 202 CA THR A 13 57.567 -19.923 -14.896 1.00 1.00 C ATOM 203 C THR A 13 56.880 -20.784 -13.861 1.00 1.00 C ATOM 204 O THR A 13 56.319 -21.833 -14.179 1.00 1.00 O ATOM 205 CB THR A 13 59.018 -20.381 -15.051 1.00 1.00 C ATOM 206 OG1 THR A 13 59.769 -19.979 -13.914 1.00 1.00 O ATOM 207 CG2 THR A 13 59.614 -19.766 -16.314 1.00 1.00 C ATOM 0 H THR A 13 58.439 -18.119 -14.301 1.00 1.00 H new ATOM 0 HA THR A 13 57.053 -20.022 -15.852 1.00 1.00 H new ATOM 0 HB THR A 13 59.051 -21.467 -15.133 1.00 1.00 H new ATOM 0 HG1 THR A 13 60.698 -20.275 -14.014 1.00 1.00 H new ATOM 0 HG21 THR A 13 60.648 -20.092 -16.425 1.00 1.00 H new ATOM 0 HG22 THR A 13 59.038 -20.087 -17.182 1.00 1.00 H new ATOM 0 HG23 THR A 13 59.583 -18.679 -16.239 1.00 1.00 H new ATOM 215 N ARG A 14 56.933 -20.338 -12.617 1.00 1.00 N ATOM 216 CA ARG A 14 56.303 -21.110 -11.542 1.00 1.00 C ATOM 217 C ARG A 14 54.798 -21.256 -11.779 1.00 1.00 C ATOM 218 O ARG A 14 54.211 -22.284 -11.442 1.00 1.00 O ATOM 219 CB ARG A 14 56.542 -20.465 -10.167 1.00 1.00 C ATOM 220 CG ARG A 14 55.759 -19.132 -10.040 1.00 1.00 C ATOM 221 CD ARG A 14 54.487 -19.333 -9.210 1.00 1.00 C ATOM 222 NE ARG A 14 54.833 -19.848 -7.896 1.00 1.00 N ATOM 223 CZ ARG A 14 53.907 -20.336 -7.086 1.00 1.00 C ATOM 224 NH1 ARG A 14 52.658 -20.364 -7.465 1.00 1.00 N ATOM 225 NH2 ARG A 14 54.249 -20.792 -5.915 1.00 1.00 N ATOM 0 H ARG A 14 57.389 -19.474 -12.325 1.00 1.00 H new ATOM 0 HA ARG A 14 56.765 -22.097 -11.549 1.00 1.00 H new ATOM 0 HB2 ARG A 14 56.231 -21.151 -9.379 1.00 1.00 H new ATOM 0 HB3 ARG A 14 57.607 -20.281 -10.027 1.00 1.00 H new ATOM 0 HG2 ARG A 14 56.390 -18.376 -9.572 1.00 1.00 H new ATOM 0 HG3 ARG A 14 55.499 -18.761 -11.031 1.00 1.00 H new ATOM 0 HD2 ARG A 14 53.953 -18.388 -9.111 1.00 1.00 H new ATOM 0 HD3 ARG A 14 53.816 -20.026 -9.717 1.00 1.00 H new ATOM 0 HE ARG A 14 55.807 -19.833 -7.593 1.00 1.00 H new ATOM 0 HH11 ARG A 14 52.396 -20.010 -8.385 1.00 1.00 H new ATOM 0 HH12 ARG A 14 51.944 -20.740 -6.841 1.00 1.00 H new ATOM 0 HH21 ARG A 14 55.227 -20.772 -5.626 1.00 1.00 H new ATOM 0 HH22 ARG A 14 53.539 -21.169 -5.287 1.00 1.00 H new ATOM 239 N GLY A 15 54.177 -20.219 -12.347 1.00 1.00 N ATOM 240 CA GLY A 15 52.737 -20.230 -12.613 1.00 1.00 C ATOM 241 C GLY A 15 52.169 -18.820 -12.463 1.00 1.00 C ATOM 242 O GLY A 15 52.290 -18.205 -11.403 1.00 1.00 O ATOM 0 H GLY A 15 54.650 -19.361 -12.631 1.00 1.00 H new ATOM 0 HA2 GLY A 15 52.547 -20.603 -13.620 1.00 1.00 H new ATOM 0 HA3 GLY A 15 52.236 -20.908 -11.922 1.00 1.00 H new ATOM 246 N THR A 16 51.555 -18.308 -13.528 1.00 1.00 N ATOM 247 CA THR A 16 50.983 -16.967 -13.496 1.00 1.00 C ATOM 248 C THR A 16 49.866 -16.885 -12.461 1.00 1.00 C ATOM 249 O THR A 16 49.797 -15.939 -11.673 1.00 1.00 O ATOM 250 CB THR A 16 50.436 -16.600 -14.878 1.00 1.00 C ATOM 251 OG1 THR A 16 50.051 -15.233 -14.887 1.00 1.00 O ATOM 252 CG2 THR A 16 49.222 -17.475 -15.206 1.00 1.00 C ATOM 0 H THR A 16 51.442 -18.798 -14.416 1.00 1.00 H new ATOM 0 HA THR A 16 51.768 -16.263 -13.219 1.00 1.00 H new ATOM 0 HB THR A 16 51.211 -16.766 -15.626 1.00 1.00 H new ATOM 0 HG1 THR A 16 49.702 -14.997 -15.772 1.00 1.00 H new ATOM 0 HG21 THR A 16 48.837 -17.209 -16.191 1.00 1.00 H new ATOM 0 HG22 THR A 16 49.518 -18.524 -15.203 1.00 1.00 H new ATOM 0 HG23 THR A 16 48.446 -17.315 -14.458 1.00 1.00 H new ATOM 260 N GLY A 17 48.992 -17.888 -12.473 1.00 1.00 N ATOM 261 CA GLY A 17 47.866 -17.946 -11.537 1.00 1.00 C ATOM 262 C GLY A 17 46.566 -18.215 -12.288 1.00 1.00 C ATOM 263 O GLY A 17 46.329 -17.646 -13.352 1.00 1.00 O ATOM 0 H GLY A 17 49.040 -18.674 -13.121 1.00 1.00 H new ATOM 0 HA2 GLY A 17 48.037 -18.731 -10.800 1.00 1.00 H new ATOM 0 HA3 GLY A 17 47.790 -17.006 -10.990 1.00 1.00 H new ATOM 267 N ALA A 18 45.723 -19.077 -11.731 1.00 1.00 N ATOM 268 CA ALA A 18 44.453 -19.393 -12.372 1.00 1.00 C ATOM 269 C ALA A 18 43.542 -20.155 -11.396 1.00 1.00 C ATOM 270 O ALA A 18 44.037 -20.844 -10.505 1.00 1.00 O ATOM 271 CB ALA A 18 44.707 -20.242 -13.627 1.00 1.00 C ATOM 0 H ALA A 18 45.892 -19.563 -10.850 1.00 1.00 H new ATOM 0 HA ALA A 18 43.958 -18.466 -12.660 1.00 1.00 H new ATOM 0 HB1 ALA A 18 43.756 -20.478 -14.105 1.00 1.00 H new ATOM 0 HB2 ALA A 18 45.335 -19.685 -14.322 1.00 1.00 H new ATOM 0 HB3 ALA A 18 45.210 -21.167 -13.345 1.00 1.00 H new ATOM 277 N GLY A 19 42.214 -20.043 -11.556 1.00 1.00 N ATOM 278 CA GLY A 19 41.294 -20.753 -10.656 1.00 1.00 C ATOM 279 C GLY A 19 41.026 -19.943 -9.396 1.00 1.00 C ATOM 280 O GLY A 19 41.307 -20.388 -8.282 1.00 1.00 O ATOM 0 H GLY A 19 41.763 -19.483 -12.280 1.00 1.00 H new ATOM 0 HA2 GLY A 19 40.354 -20.949 -11.172 1.00 1.00 H new ATOM 0 HA3 GLY A 19 41.718 -21.720 -10.387 1.00 1.00 H new ATOM 284 N SER A 20 40.475 -18.751 -9.581 1.00 1.00 N ATOM 285 CA SER A 20 40.163 -17.879 -8.455 1.00 1.00 C ATOM 286 C SER A 20 38.998 -16.970 -8.797 1.00 1.00 C ATOM 287 O SER A 20 39.170 -15.769 -9.009 1.00 1.00 O ATOM 288 CB SER A 20 41.375 -17.029 -8.103 1.00 1.00 C ATOM 289 OG SER A 20 41.217 -16.515 -6.787 1.00 1.00 O ATOM 0 H SER A 20 40.236 -18.366 -10.495 1.00 1.00 H new ATOM 0 HA SER A 20 39.893 -18.502 -7.602 1.00 1.00 H new ATOM 0 HB2 SER A 20 42.284 -17.627 -8.167 1.00 1.00 H new ATOM 0 HB3 SER A 20 41.480 -16.211 -8.816 1.00 1.00 H new ATOM 0 HG SER A 20 41.996 -15.968 -6.554 1.00 1.00 H new ATOM 295 N ARG A 21 37.810 -17.544 -8.837 1.00 1.00 N ATOM 296 CA ARG A 21 36.609 -16.771 -9.141 1.00 1.00 C ATOM 297 C ARG A 21 35.394 -17.319 -8.367 1.00 1.00 C ATOM 298 O ARG A 21 35.128 -18.522 -8.416 1.00 1.00 O ATOM 299 CB ARG A 21 36.322 -16.817 -10.643 1.00 1.00 C ATOM 300 CG ARG A 21 35.965 -18.242 -11.075 1.00 1.00 C ATOM 301 CD ARG A 21 36.104 -18.361 -12.594 1.00 1.00 C ATOM 302 NE ARG A 21 35.913 -19.742 -13.009 1.00 1.00 N ATOM 303 CZ ARG A 21 36.896 -20.628 -12.902 1.00 1.00 C ATOM 304 NH1 ARG A 21 38.052 -20.265 -12.417 1.00 1.00 N ATOM 305 NH2 ARG A 21 36.702 -21.859 -13.281 1.00 1.00 N ATOM 0 H ARG A 21 37.646 -18.536 -8.665 1.00 1.00 H new ATOM 0 HA ARG A 21 36.782 -15.739 -8.835 1.00 1.00 H new ATOM 0 HB2 ARG A 21 35.502 -16.141 -10.884 1.00 1.00 H new ATOM 0 HB3 ARG A 21 37.194 -16.470 -11.197 1.00 1.00 H new ATOM 0 HG2 ARG A 21 36.621 -18.959 -10.581 1.00 1.00 H new ATOM 0 HG3 ARG A 21 34.946 -18.481 -10.772 1.00 1.00 H new ATOM 0 HD2 ARG A 21 35.371 -17.721 -13.085 1.00 1.00 H new ATOM 0 HD3 ARG A 21 37.089 -18.013 -12.905 1.00 1.00 H new ATOM 0 HE ARG A 21 35.012 -20.034 -13.387 1.00 1.00 H new ATOM 0 HH11 ARG A 21 38.200 -19.301 -12.120 1.00 1.00 H new ATOM 0 HH12 ARG A 21 38.807 -20.946 -12.335 1.00 1.00 H new ATOM 0 HH21 ARG A 21 35.797 -22.140 -13.659 1.00 1.00 H new ATOM 0 HH22 ARG A 21 37.455 -22.542 -13.200 1.00 1.00 H new ATOM 319 N PRO A 22 34.643 -16.482 -7.659 1.00 1.00 N ATOM 320 CA PRO A 22 33.435 -16.942 -6.888 1.00 1.00 C ATOM 321 C PRO A 22 32.509 -17.845 -7.712 1.00 1.00 C ATOM 322 O PRO A 22 31.983 -18.837 -7.208 1.00 1.00 O ATOM 323 CB PRO A 22 32.721 -15.632 -6.512 1.00 1.00 C ATOM 324 CG PRO A 22 33.796 -14.592 -6.477 1.00 1.00 C ATOM 325 CD PRO A 22 34.863 -15.027 -7.490 1.00 1.00 C ATOM 0 HA PRO A 22 33.718 -17.549 -6.028 1.00 1.00 H new ATOM 0 HB2 PRO A 22 31.953 -15.379 -7.243 1.00 1.00 H new ATOM 0 HB3 PRO A 22 32.225 -15.718 -5.545 1.00 1.00 H new ATOM 0 HG2 PRO A 22 33.395 -13.612 -6.734 1.00 1.00 H new ATOM 0 HG3 PRO A 22 34.222 -14.509 -5.477 1.00 1.00 H new ATOM 0 HD2 PRO A 22 34.752 -14.496 -8.436 1.00 1.00 H new ATOM 0 HD3 PRO A 22 35.868 -14.818 -7.123 1.00 1.00 H new ATOM 333 N ARG A 23 32.323 -17.479 -8.969 1.00 1.00 N ATOM 334 CA ARG A 23 31.464 -18.240 -9.894 1.00 1.00 C ATOM 335 C ARG A 23 30.018 -17.796 -9.752 1.00 1.00 C ATOM 336 O ARG A 23 29.189 -18.018 -10.635 1.00 1.00 O ATOM 337 CB ARG A 23 31.589 -19.755 -9.633 1.00 1.00 C ATOM 338 CG ARG A 23 31.287 -20.543 -10.911 1.00 1.00 C ATOM 339 CD ARG A 23 31.439 -22.034 -10.618 1.00 1.00 C ATOM 340 NE ARG A 23 30.424 -22.462 -9.663 1.00 1.00 N ATOM 341 CZ ARG A 23 30.543 -23.607 -9.000 1.00 1.00 C ATOM 342 NH1 ARG A 23 31.586 -24.364 -9.195 1.00 1.00 N ATOM 343 NH2 ARG A 23 29.619 -23.972 -8.153 1.00 1.00 N ATOM 0 H ARG A 23 32.754 -16.654 -9.386 1.00 1.00 H new ATOM 0 HA ARG A 23 31.794 -18.041 -10.914 1.00 1.00 H new ATOM 0 HB2 ARG A 23 32.595 -19.989 -9.283 1.00 1.00 H new ATOM 0 HB3 ARG A 23 30.899 -20.053 -8.843 1.00 1.00 H new ATOM 0 HG2 ARG A 23 30.276 -20.328 -11.257 1.00 1.00 H new ATOM 0 HG3 ARG A 23 31.967 -20.244 -11.708 1.00 1.00 H new ATOM 0 HD2 ARG A 23 31.345 -22.606 -11.541 1.00 1.00 H new ATOM 0 HD3 ARG A 23 32.433 -22.235 -10.219 1.00 1.00 H new ATOM 0 HE ARG A 23 29.608 -21.872 -9.501 1.00 1.00 H new ATOM 0 HH11 ARG A 23 32.308 -24.077 -9.855 1.00 1.00 H new ATOM 0 HH12 ARG A 23 31.680 -25.244 -8.687 1.00 1.00 H new ATOM 0 HH21 ARG A 23 28.804 -23.378 -8.000 1.00 1.00 H new ATOM 0 HH22 ARG A 23 29.712 -24.851 -7.645 1.00 1.00 H new ATOM 357 N GLY A 24 29.741 -17.157 -8.632 1.00 1.00 N ATOM 358 CA GLY A 24 28.398 -16.644 -8.343 1.00 1.00 C ATOM 359 C GLY A 24 27.639 -17.597 -7.418 1.00 1.00 C ATOM 360 O GLY A 24 26.703 -17.189 -6.729 1.00 1.00 O ATOM 0 H GLY A 24 30.426 -16.976 -7.898 1.00 1.00 H new ATOM 0 HA2 GLY A 24 28.472 -15.661 -7.878 1.00 1.00 H new ATOM 0 HA3 GLY A 24 27.845 -16.516 -9.273 1.00 1.00 H new ATOM 364 N GLN A 25 28.054 -18.865 -7.406 1.00 1.00 N ATOM 365 CA GLN A 25 27.422 -19.884 -6.554 1.00 1.00 C ATOM 366 C GLN A 25 25.974 -20.136 -6.965 1.00 1.00 C ATOM 367 O GLN A 25 25.426 -21.207 -6.720 1.00 1.00 O ATOM 368 CB GLN A 25 27.482 -19.454 -5.070 1.00 1.00 C ATOM 369 CG GLN A 25 28.921 -19.000 -4.680 1.00 1.00 C ATOM 370 CD GLN A 25 28.908 -17.593 -4.070 1.00 1.00 C ATOM 371 OE1 GLN A 25 28.969 -16.600 -4.795 1.00 1.00 O ATOM 372 NE2 GLN A 25 28.831 -17.455 -2.774 1.00 1.00 N ATOM 0 H GLN A 25 28.825 -19.215 -7.975 1.00 1.00 H new ATOM 0 HA GLN A 25 27.976 -20.814 -6.682 1.00 1.00 H new ATOM 0 HB2 GLN A 25 26.779 -18.639 -4.895 1.00 1.00 H new ATOM 0 HB3 GLN A 25 27.173 -20.284 -4.434 1.00 1.00 H new ATOM 0 HG2 GLN A 25 29.348 -19.705 -3.967 1.00 1.00 H new ATOM 0 HG3 GLN A 25 29.561 -19.012 -5.562 1.00 1.00 H new ATOM 0 HE21 GLN A 25 28.781 -18.279 -2.175 1.00 1.00 H new ATOM 0 HE22 GLN A 25 28.821 -16.523 -2.360 1.00 1.00 H new ATOM 381 N ASN A 26 25.373 -19.144 -7.600 1.00 1.00 N ATOM 382 CA ASN A 26 23.991 -19.242 -8.061 1.00 1.00 C ATOM 383 C ASN A 26 23.124 -19.906 -7.000 1.00 1.00 C ATOM 384 O ASN A 26 22.420 -20.879 -7.278 1.00 1.00 O ATOM 385 CB ASN A 26 23.935 -20.032 -9.374 1.00 1.00 C ATOM 386 CG ASN A 26 24.352 -19.127 -10.538 1.00 1.00 C ATOM 387 OD1 ASN A 26 23.957 -17.878 -10.555 1.00 1.00 O flip ATOM 388 ND2 ASN A 26 25.051 -19.567 -11.449 1.00 1.00 N flip ATOM 0 H ASN A 26 25.822 -18.253 -7.811 1.00 1.00 H new ATOM 0 HA ASN A 26 23.604 -18.238 -8.238 1.00 1.00 H new ATOM 0 HB2 ASN A 26 24.596 -20.897 -9.318 1.00 1.00 H new ATOM 0 HB3 ASN A 26 22.927 -20.412 -9.539 1.00 1.00 H new ATOM 0 HD21 ASN A 26 25.357 -20.540 -11.433 1.00 1.00 H new ATOM 0 HD22 ASN A 26 25.325 -18.959 -12.221 1.00 1.00 H new ATOM 395 N LYS A 27 23.179 -19.380 -5.775 1.00 1.00 N ATOM 396 CA LYS A 27 22.395 -19.941 -4.674 1.00 1.00 C ATOM 397 C LYS A 27 21.759 -18.838 -3.832 1.00 1.00 C ATOM 398 O LYS A 27 21.239 -19.100 -2.747 1.00 1.00 O ATOM 399 CB LYS A 27 23.292 -20.822 -3.793 1.00 1.00 C ATOM 400 CG LYS A 27 23.555 -22.172 -4.489 1.00 1.00 C ATOM 401 CD LYS A 27 22.430 -23.174 -4.152 1.00 1.00 C ATOM 402 CE LYS A 27 22.785 -23.972 -2.886 1.00 1.00 C ATOM 403 NZ LYS A 27 23.551 -23.110 -1.942 1.00 1.00 N ATOM 0 H LYS A 27 23.752 -18.575 -5.522 1.00 1.00 H new ATOM 0 HA LYS A 27 21.594 -20.547 -5.099 1.00 1.00 H new ATOM 0 HB2 LYS A 27 24.237 -20.314 -3.599 1.00 1.00 H new ATOM 0 HB3 LYS A 27 22.815 -20.989 -2.827 1.00 1.00 H new ATOM 0 HG2 LYS A 27 23.612 -22.028 -5.568 1.00 1.00 H new ATOM 0 HG3 LYS A 27 24.517 -22.573 -4.169 1.00 1.00 H new ATOM 0 HD2 LYS A 27 21.492 -22.640 -4.002 1.00 1.00 H new ATOM 0 HD3 LYS A 27 22.279 -23.856 -4.989 1.00 1.00 H new ATOM 0 HE2 LYS A 27 21.875 -24.333 -2.406 1.00 1.00 H new ATOM 0 HE3 LYS A 27 23.375 -24.849 -3.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 23.919 -23.691 -1.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 24.344 -22.664 -2.445 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 22.925 -22.373 -1.560 1.00 1.00 H new ATOM 417 N GLU A 28 21.801 -17.610 -4.342 1.00 1.00 N ATOM 418 CA GLU A 28 21.221 -16.466 -3.643 1.00 1.00 C ATOM 419 C GLU A 28 21.877 -16.284 -2.281 1.00 1.00 C ATOM 420 O GLU A 28 21.214 -15.922 -1.308 1.00 1.00 O ATOM 421 CB GLU A 28 19.714 -16.679 -3.467 1.00 1.00 C ATOM 422 CG GLU A 28 19.054 -16.807 -4.843 1.00 1.00 C ATOM 423 CD GLU A 28 19.189 -15.497 -5.610 1.00 1.00 C ATOM 424 OE1 GLU A 28 18.860 -14.466 -5.046 1.00 1.00 O ATOM 425 OE2 GLU A 28 19.621 -15.543 -6.751 1.00 1.00 O ATOM 0 H GLU A 28 22.231 -17.381 -5.238 1.00 1.00 H new ATOM 0 HA GLU A 28 21.395 -15.569 -4.237 1.00 1.00 H new ATOM 0 HB2 GLU A 28 19.529 -17.577 -2.878 1.00 1.00 H new ATOM 0 HB3 GLU A 28 19.279 -15.843 -2.919 1.00 1.00 H new ATOM 0 HG2 GLU A 28 19.520 -17.617 -5.405 1.00 1.00 H new ATOM 0 HG3 GLU A 28 18.001 -17.064 -4.728 1.00 1.00 H new ATOM 432 N ARG A 29 23.187 -16.536 -2.211 1.00 1.00 N ATOM 433 CA ARG A 29 23.915 -16.393 -0.946 1.00 1.00 C ATOM 434 C ARG A 29 24.473 -14.973 -0.809 1.00 1.00 C ATOM 435 O ARG A 29 24.719 -14.292 -1.809 1.00 1.00 O ATOM 436 CB ARG A 29 25.070 -17.420 -0.865 1.00 1.00 C ATOM 437 CG ARG A 29 24.609 -18.670 -0.098 1.00 1.00 C ATOM 438 CD ARG A 29 23.348 -19.240 -0.752 1.00 1.00 C ATOM 439 NE ARG A 29 23.255 -20.667 -0.493 1.00 1.00 N ATOM 440 CZ ARG A 29 22.927 -21.120 0.709 1.00 1.00 C ATOM 441 NH1 ARG A 29 22.690 -20.280 1.680 1.00 1.00 N ATOM 442 NH2 ARG A 29 22.844 -22.404 0.918 1.00 1.00 N ATOM 0 H ARG A 29 23.758 -16.835 -3.001 1.00 1.00 H new ATOM 0 HA ARG A 29 23.219 -16.581 -0.129 1.00 1.00 H new ATOM 0 HB2 ARG A 29 25.392 -17.697 -1.869 1.00 1.00 H new ATOM 0 HB3 ARG A 29 25.930 -16.974 -0.366 1.00 1.00 H new ATOM 0 HG2 ARG A 29 25.400 -19.420 -0.096 1.00 1.00 H new ATOM 0 HG3 ARG A 29 24.408 -18.416 0.943 1.00 1.00 H new ATOM 0 HD2 ARG A 29 22.465 -18.733 -0.362 1.00 1.00 H new ATOM 0 HD3 ARG A 29 23.372 -19.058 -1.826 1.00 1.00 H new ATOM 0 HE ARG A 29 23.445 -21.329 -1.246 1.00 1.00 H new ATOM 0 HH11 ARG A 29 22.757 -19.276 1.514 1.00 1.00 H new ATOM 0 HH12 ARG A 29 22.438 -20.628 2.605 1.00 1.00 H new ATOM 0 HH21 ARG A 29 23.031 -23.058 0.158 1.00 1.00 H new ATOM 0 HH22 ARG A 29 22.592 -22.755 1.842 1.00 1.00 H new ATOM 456 N PRO A 30 24.677 -14.516 0.405 1.00 1.00 N ATOM 457 CA PRO A 30 25.217 -13.154 0.662 1.00 1.00 C ATOM 458 C PRO A 30 26.319 -12.769 -0.333 1.00 1.00 C ATOM 459 O PRO A 30 26.994 -13.639 -0.890 1.00 1.00 O ATOM 460 CB PRO A 30 25.779 -13.254 2.086 1.00 1.00 C ATOM 461 CG PRO A 30 24.965 -14.319 2.766 1.00 1.00 C ATOM 462 CD PRO A 30 24.410 -15.238 1.664 1.00 1.00 C ATOM 0 HA PRO A 30 24.455 -12.383 0.549 1.00 1.00 H new ATOM 0 HB2 PRO A 30 26.837 -13.517 2.073 1.00 1.00 H new ATOM 0 HB3 PRO A 30 25.694 -12.301 2.609 1.00 1.00 H new ATOM 0 HG2 PRO A 30 25.579 -14.885 3.466 1.00 1.00 H new ATOM 0 HG3 PRO A 30 24.153 -13.874 3.342 1.00 1.00 H new ATOM 0 HD2 PRO A 30 24.902 -16.211 1.675 1.00 1.00 H new ATOM 0 HD3 PRO A 30 23.343 -15.418 1.799 1.00 1.00 H new ATOM 470 N PRO A 31 26.522 -11.494 -0.558 1.00 1.00 N ATOM 471 CA PRO A 31 27.574 -11.005 -1.493 1.00 1.00 C ATOM 472 C PRO A 31 28.878 -11.812 -1.375 1.00 1.00 C ATOM 473 O PRO A 31 29.061 -12.546 -0.405 1.00 1.00 O ATOM 474 CB PRO A 31 27.795 -9.552 -1.048 1.00 1.00 C ATOM 475 CG PRO A 31 26.499 -9.114 -0.427 1.00 1.00 C ATOM 476 CD PRO A 31 25.768 -10.379 0.046 1.00 1.00 C ATOM 0 HA PRO A 31 27.274 -11.103 -2.536 1.00 1.00 H new ATOM 0 HB2 PRO A 31 28.615 -9.482 -0.333 1.00 1.00 H new ATOM 0 HB3 PRO A 31 28.056 -8.919 -1.896 1.00 1.00 H new ATOM 0 HG2 PRO A 31 26.682 -8.441 0.410 1.00 1.00 H new ATOM 0 HG3 PRO A 31 25.893 -8.567 -1.149 1.00 1.00 H new ATOM 0 HD2 PRO A 31 25.761 -10.449 1.134 1.00 1.00 H new ATOM 0 HD3 PRO A 31 24.728 -10.381 -0.281 1.00 1.00 H new ATOM 484 N PRO A 32 29.788 -11.670 -2.323 1.00 1.00 N ATOM 485 CA PRO A 32 31.114 -12.376 -2.292 1.00 1.00 C ATOM 486 C PRO A 32 31.861 -12.175 -0.965 1.00 1.00 C ATOM 487 O PRO A 32 31.282 -12.272 0.112 1.00 1.00 O ATOM 488 CB PRO A 32 31.894 -11.736 -3.457 1.00 1.00 C ATOM 489 CG PRO A 32 30.852 -11.232 -4.399 1.00 1.00 C ATOM 490 CD PRO A 32 29.649 -10.839 -3.539 1.00 1.00 C ATOM 0 HA PRO A 32 30.997 -13.456 -2.385 1.00 1.00 H new ATOM 0 HB2 PRO A 32 32.531 -10.925 -3.105 1.00 1.00 H new ATOM 0 HB3 PRO A 32 32.544 -12.464 -3.942 1.00 1.00 H new ATOM 0 HG2 PRO A 32 31.221 -10.377 -4.965 1.00 1.00 H new ATOM 0 HG3 PRO A 32 30.578 -12.000 -5.123 1.00 1.00 H new ATOM 0 HD2 PRO A 32 29.661 -9.776 -3.299 1.00 1.00 H new ATOM 0 HD3 PRO A 32 28.709 -11.039 -4.053 1.00 1.00 H new ATOM 498 N VAL A 33 33.157 -11.891 -1.059 1.00 1.00 N ATOM 499 CA VAL A 33 33.972 -11.672 0.133 1.00 1.00 C ATOM 500 C VAL A 33 33.898 -12.877 1.063 1.00 1.00 C ATOM 501 O VAL A 33 33.200 -12.850 2.075 1.00 1.00 O ATOM 502 CB VAL A 33 33.485 -10.428 0.870 1.00 1.00 C ATOM 503 CG1 VAL A 33 34.438 -10.116 2.025 1.00 1.00 C ATOM 504 CG2 VAL A 33 33.455 -9.245 -0.101 1.00 1.00 C ATOM 0 H VAL A 33 33.663 -11.807 -1.941 1.00 1.00 H new ATOM 0 HA VAL A 33 35.008 -11.532 -0.177 1.00 1.00 H new ATOM 0 HB VAL A 33 32.484 -10.603 1.263 1.00 1.00 H new ATOM 0 HG11 VAL A 33 34.092 -9.227 2.553 1.00 1.00 H new ATOM 0 HG12 VAL A 33 34.463 -10.960 2.714 1.00 1.00 H new ATOM 0 HG13 VAL A 33 35.439 -9.938 1.633 1.00 1.00 H new ATOM 0 HG21 VAL A 33 33.107 -8.354 0.422 1.00 1.00 H new ATOM 0 HG22 VAL A 33 34.457 -9.069 -0.491 1.00 1.00 H new ATOM 0 HG23 VAL A 33 32.779 -9.469 -0.926 1.00 1.00 H new ATOM 514 N PRO A 34 34.612 -13.924 0.741 1.00 1.00 N ATOM 515 CA PRO A 34 34.635 -15.165 1.570 1.00 1.00 C ATOM 516 C PRO A 34 35.067 -14.882 3.009 1.00 1.00 C ATOM 517 O PRO A 34 35.915 -14.026 3.258 1.00 1.00 O ATOM 518 CB PRO A 34 35.653 -16.074 0.851 1.00 1.00 C ATOM 519 CG PRO A 34 35.742 -15.543 -0.546 1.00 1.00 C ATOM 520 CD PRO A 34 35.462 -14.044 -0.454 1.00 1.00 C ATOM 0 HA PRO A 34 33.648 -15.620 1.655 1.00 1.00 H new ATOM 0 HB2 PRO A 34 36.624 -16.044 1.345 1.00 1.00 H new ATOM 0 HB3 PRO A 34 35.324 -17.113 0.856 1.00 1.00 H new ATOM 0 HG2 PRO A 34 36.729 -15.729 -0.970 1.00 1.00 H new ATOM 0 HG3 PRO A 34 35.018 -16.035 -1.196 1.00 1.00 H new ATOM 0 HD2 PRO A 34 36.383 -13.470 -0.351 1.00 1.00 H new ATOM 0 HD3 PRO A 34 34.955 -13.675 -1.346 1.00 1.00 H new ATOM 528 N ASN A 35 34.473 -15.612 3.945 1.00 1.00 N ATOM 529 CA ASN A 35 34.793 -15.447 5.358 1.00 1.00 C ATOM 530 C ASN A 35 36.245 -15.865 5.631 1.00 1.00 C ATOM 531 O ASN A 35 36.958 -15.202 6.383 1.00 1.00 O ATOM 532 CB ASN A 35 33.828 -16.289 6.232 1.00 1.00 C ATOM 533 CG ASN A 35 32.637 -16.771 5.402 1.00 1.00 C ATOM 534 OD1 ASN A 35 32.077 -16.004 4.620 1.00 1.00 O ATOM 535 ND2 ASN A 35 32.220 -18.000 5.528 1.00 1.00 N ATOM 0 H ASN A 35 33.768 -16.323 3.752 1.00 1.00 H new ATOM 0 HA ASN A 35 34.675 -14.395 5.616 1.00 1.00 H new ATOM 0 HB2 ASN A 35 34.359 -17.145 6.649 1.00 1.00 H new ATOM 0 HB3 ASN A 35 33.475 -15.692 7.073 1.00 1.00 H new ATOM 0 HD21 ASN A 35 31.427 -18.328 4.977 1.00 1.00 H new ATOM 0 HD22 ASN A 35 32.687 -18.633 6.177 1.00 1.00 H new ATOM 542 N PRO A 36 36.683 -16.954 5.038 1.00 1.00 N ATOM 543 CA PRO A 36 38.071 -17.479 5.226 1.00 1.00 C ATOM 544 C PRO A 36 39.125 -16.464 4.788 1.00 1.00 C ATOM 545 O PRO A 36 40.291 -16.561 5.170 1.00 1.00 O ATOM 546 CB PRO A 36 38.113 -18.758 4.356 1.00 1.00 C ATOM 547 CG PRO A 36 36.679 -19.125 4.138 1.00 1.00 C ATOM 548 CD PRO A 36 35.907 -17.807 4.124 1.00 1.00 C ATOM 0 HA PRO A 36 38.297 -17.682 6.273 1.00 1.00 H new ATOM 0 HB2 PRO A 36 38.622 -18.575 3.410 1.00 1.00 H new ATOM 0 HB3 PRO A 36 38.654 -19.560 4.859 1.00 1.00 H new ATOM 0 HG2 PRO A 36 36.552 -19.662 3.198 1.00 1.00 H new ATOM 0 HG3 PRO A 36 36.319 -19.780 4.931 1.00 1.00 H new ATOM 0 HD2 PRO A 36 35.855 -17.381 3.122 1.00 1.00 H new ATOM 0 HD3 PRO A 36 34.881 -17.937 4.468 1.00 1.00 H new ATOM 556 N ASP A 37 38.704 -15.488 3.993 1.00 1.00 N ATOM 557 CA ASP A 37 39.626 -14.456 3.523 1.00 1.00 C ATOM 558 C ASP A 37 39.866 -13.422 4.616 1.00 1.00 C ATOM 559 O ASP A 37 40.687 -12.520 4.459 1.00 1.00 O ATOM 560 CB ASP A 37 39.072 -13.766 2.274 1.00 1.00 C ATOM 561 CG ASP A 37 39.032 -14.759 1.120 1.00 1.00 C ATOM 562 OD1 ASP A 37 39.553 -15.850 1.289 1.00 1.00 O ATOM 563 OD2 ASP A 37 38.484 -14.419 0.087 1.00 1.00 O ATOM 0 H ASP A 37 37.744 -15.387 3.663 1.00 1.00 H new ATOM 0 HA ASP A 37 40.572 -14.935 3.270 1.00 1.00 H new ATOM 0 HB2 ASP A 37 38.071 -13.382 2.472 1.00 1.00 H new ATOM 0 HB3 ASP A 37 39.696 -12.912 2.011 1.00 1.00 H new ATOM 568 N TYR A 38 39.148 -13.561 5.725 1.00 1.00 N ATOM 569 CA TYR A 38 39.303 -12.632 6.834 1.00 1.00 C ATOM 570 C TYR A 38 38.541 -13.126 8.059 1.00 1.00 C ATOM 571 O TYR A 38 37.413 -12.704 8.310 1.00 1.00 O ATOM 572 CB TYR A 38 38.784 -11.249 6.425 1.00 1.00 C ATOM 573 CG TYR A 38 39.340 -10.195 7.357 1.00 1.00 C ATOM 574 CD1 TYR A 38 40.713 -9.923 7.351 1.00 1.00 C ATOM 575 CD2 TYR A 38 38.492 -9.487 8.219 1.00 1.00 C ATOM 576 CE1 TYR A 38 41.238 -8.947 8.203 1.00 1.00 C ATOM 577 CE2 TYR A 38 39.018 -8.509 9.074 1.00 1.00 C ATOM 578 CZ TYR A 38 40.393 -8.240 9.066 1.00 1.00 C ATOM 579 OH TYR A 38 40.913 -7.276 9.907 1.00 1.00 O ATOM 0 H TYR A 38 38.461 -14.299 5.878 1.00 1.00 H new ATOM 0 HA TYR A 38 40.361 -12.565 7.087 1.00 1.00 H new ATOM 0 HB2 TYR A 38 39.077 -11.030 5.398 1.00 1.00 H new ATOM 0 HB3 TYR A 38 37.695 -11.236 6.456 1.00 1.00 H new ATOM 0 HD1 TYR A 38 41.368 -10.468 6.687 1.00 1.00 H new ATOM 0 HD2 TYR A 38 37.432 -9.695 8.225 1.00 1.00 H new ATOM 0 HE1 TYR A 38 42.298 -8.738 8.195 1.00 1.00 H new ATOM 0 HE2 TYR A 38 38.364 -7.963 9.738 1.00 1.00 H new ATOM 0 HH TYR A 38 40.190 -6.881 10.438 1.00 1.00 H new ATOM 589 N GLU A 39 39.169 -14.023 8.821 1.00 1.00 N ATOM 590 CA GLU A 39 38.551 -14.577 10.030 1.00 1.00 C ATOM 591 C GLU A 39 39.431 -14.316 11.256 1.00 1.00 C ATOM 592 O GLU A 39 39.836 -15.252 11.943 1.00 1.00 O ATOM 593 CB GLU A 39 38.345 -16.089 9.866 1.00 1.00 C ATOM 594 CG GLU A 39 39.657 -16.763 9.432 1.00 1.00 C ATOM 595 CD GLU A 39 39.858 -16.620 7.927 1.00 1.00 C ATOM 596 OE1 GLU A 39 39.122 -15.861 7.319 1.00 1.00 O ATOM 597 OE2 GLU A 39 40.741 -17.279 7.400 1.00 1.00 O ATOM 0 H GLU A 39 40.103 -14.382 8.624 1.00 1.00 H new ATOM 0 HA GLU A 39 37.588 -14.089 10.176 1.00 1.00 H new ATOM 0 HB2 GLU A 39 38.001 -16.520 10.806 1.00 1.00 H new ATOM 0 HB3 GLU A 39 37.568 -16.279 9.125 1.00 1.00 H new ATOM 0 HG2 GLU A 39 40.497 -16.313 9.961 1.00 1.00 H new ATOM 0 HG3 GLU A 39 39.638 -17.818 9.704 1.00 1.00 H new ATOM 604 N PRO A 40 39.740 -13.070 11.541 1.00 1.00 N ATOM 605 CA PRO A 40 40.602 -12.695 12.711 1.00 1.00 C ATOM 606 C PRO A 40 39.956 -13.032 14.057 1.00 1.00 C ATOM 607 O PRO A 40 40.331 -12.482 15.095 1.00 1.00 O ATOM 608 CB PRO A 40 40.798 -11.176 12.549 1.00 1.00 C ATOM 609 CG PRO A 40 39.649 -10.717 11.706 1.00 1.00 C ATOM 610 CD PRO A 40 39.309 -11.885 10.779 1.00 1.00 C ATOM 0 HA PRO A 40 41.539 -13.252 12.717 1.00 1.00 H new ATOM 0 HB2 PRO A 40 40.801 -10.674 13.517 1.00 1.00 H new ATOM 0 HB3 PRO A 40 41.751 -10.951 12.071 1.00 1.00 H new ATOM 0 HG2 PRO A 40 38.793 -10.450 12.326 1.00 1.00 H new ATOM 0 HG3 PRO A 40 39.917 -9.830 11.132 1.00 1.00 H new ATOM 0 HD2 PRO A 40 38.243 -11.920 10.553 1.00 1.00 H new ATOM 0 HD3 PRO A 40 39.835 -11.807 9.827 1.00 1.00 H new ATOM 618 N ILE A 41 38.988 -13.937 14.028 1.00 1.00 N ATOM 619 CA ILE A 41 38.278 -14.362 15.238 1.00 1.00 C ATOM 620 C ILE A 41 38.576 -15.829 15.544 1.00 1.00 C ATOM 621 O ILE A 41 37.865 -16.469 16.321 1.00 1.00 O ATOM 622 CB ILE A 41 36.759 -14.153 15.055 1.00 1.00 C ATOM 623 CG1 ILE A 41 36.498 -12.885 14.195 1.00 1.00 C ATOM 624 CG2 ILE A 41 36.094 -13.997 16.432 1.00 1.00 C ATOM 625 CD1 ILE A 41 36.374 -13.265 12.711 1.00 1.00 C ATOM 0 H ILE A 41 38.670 -14.397 13.175 1.00 1.00 H new ATOM 0 HA ILE A 41 38.622 -13.758 16.078 1.00 1.00 H new ATOM 0 HB ILE A 41 36.335 -15.018 14.545 1.00 1.00 H new ATOM 0 HG12 ILE A 41 35.585 -12.392 14.529 1.00 1.00 H new ATOM 0 HG13 ILE A 41 37.312 -12.173 14.328 1.00 1.00 H new ATOM 0 HG21 ILE A 41 35.022 -13.849 16.304 1.00 1.00 H new ATOM 0 HG22 ILE A 41 36.268 -14.895 17.024 1.00 1.00 H new ATOM 0 HG23 ILE A 41 36.520 -13.135 16.946 1.00 1.00 H new ATOM 0 HD11 ILE A 41 36.191 -12.368 12.120 1.00 1.00 H new ATOM 0 HD12 ILE A 41 37.298 -13.737 12.378 1.00 1.00 H new ATOM 0 HD13 ILE A 41 35.544 -13.960 12.581 1.00 1.00 H new ATOM 637 N ARG A 42 39.628 -16.356 14.937 1.00 1.00 N ATOM 638 CA ARG A 42 40.004 -17.743 15.166 1.00 1.00 C ATOM 639 C ARG A 42 41.445 -17.968 14.735 1.00 1.00 C ATOM 640 O ARG A 42 41.707 -18.590 13.707 1.00 1.00 O ATOM 641 CB ARG A 42 39.077 -18.674 14.384 1.00 1.00 C ATOM 642 CG ARG A 42 39.380 -20.128 14.752 1.00 1.00 C ATOM 643 CD ARG A 42 38.461 -21.056 13.956 1.00 1.00 C ATOM 644 NE ARG A 42 38.755 -20.951 12.530 1.00 1.00 N ATOM 645 CZ ARG A 42 39.723 -21.673 11.970 1.00 1.00 C ATOM 646 NH1 ARG A 42 40.435 -22.488 12.699 1.00 1.00 N ATOM 647 NH2 ARG A 42 39.962 -21.562 10.693 1.00 1.00 N ATOM 0 H ARG A 42 40.232 -15.851 14.288 1.00 1.00 H new ATOM 0 HA ARG A 42 39.911 -17.962 16.230 1.00 1.00 H new ATOM 0 HB2 ARG A 42 38.036 -18.441 14.609 1.00 1.00 H new ATOM 0 HB3 ARG A 42 39.213 -18.523 13.313 1.00 1.00 H new ATOM 0 HG2 ARG A 42 40.423 -20.359 14.537 1.00 1.00 H new ATOM 0 HG3 ARG A 42 39.233 -20.282 15.821 1.00 1.00 H new ATOM 0 HD2 ARG A 42 38.595 -22.086 14.288 1.00 1.00 H new ATOM 0 HD3 ARG A 42 37.419 -20.795 14.141 1.00 1.00 H new ATOM 0 HE ARG A 42 38.209 -20.313 11.952 1.00 1.00 H new ATOM 0 HH11 ARG A 42 40.250 -22.572 13.699 1.00 1.00 H new ATOM 0 HH12 ARG A 42 41.177 -23.041 12.269 1.00 1.00 H new ATOM 0 HH21 ARG A 42 39.407 -20.922 10.124 1.00 1.00 H new ATOM 0 HH22 ARG A 42 40.704 -22.115 10.263 1.00 1.00 H new ATOM 661 N LYS A 43 42.383 -17.455 15.525 1.00 1.00 N ATOM 662 CA LYS A 43 43.796 -17.611 15.212 1.00 1.00 C ATOM 663 C LYS A 43 44.639 -17.507 16.485 1.00 1.00 C ATOM 664 O LYS A 43 44.413 -16.630 17.318 1.00 1.00 O ATOM 665 CB LYS A 43 44.238 -16.533 14.211 1.00 1.00 C ATOM 666 CG LYS A 43 45.571 -16.938 13.553 1.00 1.00 C ATOM 667 CD LYS A 43 45.309 -17.837 12.337 1.00 1.00 C ATOM 668 CE LYS A 43 46.635 -18.187 11.659 1.00 1.00 C ATOM 669 NZ LYS A 43 46.364 -19.061 10.484 1.00 1.00 N ATOM 0 H LYS A 43 42.191 -16.932 16.379 1.00 1.00 H new ATOM 0 HA LYS A 43 43.944 -18.596 14.768 1.00 1.00 H new ATOM 0 HB2 LYS A 43 43.472 -16.399 13.447 1.00 1.00 H new ATOM 0 HB3 LYS A 43 44.351 -15.576 14.721 1.00 1.00 H new ATOM 0 HG2 LYS A 43 46.118 -16.047 13.245 1.00 1.00 H new ATOM 0 HG3 LYS A 43 46.197 -17.463 14.275 1.00 1.00 H new ATOM 0 HD2 LYS A 43 44.798 -18.748 12.649 1.00 1.00 H new ATOM 0 HD3 LYS A 43 44.652 -17.328 11.632 1.00 1.00 H new ATOM 0 HE2 LYS A 43 47.147 -17.278 11.342 1.00 1.00 H new ATOM 0 HE3 LYS A 43 47.294 -18.696 12.362 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 47.261 -19.303 10.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 45.892 -19.932 10.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 45.749 -18.559 9.812 1.00 1.00 H new ATOM 683 N GLY A 44 45.607 -18.407 16.629 1.00 1.00 N ATOM 684 CA GLY A 44 46.478 -18.404 17.808 1.00 1.00 C ATOM 685 C GLY A 44 47.317 -17.128 17.883 1.00 1.00 C ATOM 686 O GLY A 44 47.408 -16.499 18.937 1.00 1.00 O ATOM 0 H GLY A 44 45.810 -19.143 15.953 1.00 1.00 H new ATOM 0 HA2 GLY A 44 45.872 -18.495 18.709 1.00 1.00 H new ATOM 0 HA3 GLY A 44 47.136 -19.272 17.777 1.00 1.00 H new ATOM 690 N GLN A 45 47.932 -16.748 16.764 1.00 1.00 N ATOM 691 CA GLN A 45 48.765 -15.542 16.736 1.00 1.00 C ATOM 692 C GLN A 45 49.735 -15.533 17.906 1.00 1.00 C ATOM 693 O GLN A 45 49.535 -14.818 18.887 1.00 1.00 O ATOM 694 CB GLN A 45 47.884 -14.299 16.805 1.00 1.00 C ATOM 695 CG GLN A 45 47.133 -14.145 15.487 1.00 1.00 C ATOM 696 CD GLN A 45 46.200 -12.939 15.552 1.00 1.00 C ATOM 697 OE1 GLN A 45 46.627 -11.812 15.302 1.00 1.00 O ATOM 698 NE2 GLN A 45 44.946 -13.107 15.874 1.00 1.00 N ATOM 0 H GLN A 45 47.873 -17.247 15.877 1.00 1.00 H new ATOM 0 HA GLN A 45 49.332 -15.540 15.805 1.00 1.00 H new ATOM 0 HB2 GLN A 45 47.179 -14.384 17.632 1.00 1.00 H new ATOM 0 HB3 GLN A 45 48.494 -13.416 16.995 1.00 1.00 H new ATOM 0 HG2 GLN A 45 47.842 -14.022 14.668 1.00 1.00 H new ATOM 0 HG3 GLN A 45 46.559 -15.048 15.279 1.00 1.00 H new ATOM 0 HE21 GLN A 45 44.593 -14.041 16.081 1.00 1.00 H new ATOM 0 HE22 GLN A 45 44.319 -12.304 15.919 1.00 1.00 H new ATOM 707 N ARG A 46 50.792 -16.324 17.789 1.00 1.00 N ATOM 708 CA ARG A 46 51.795 -16.395 18.839 1.00 1.00 C ATOM 709 C ARG A 46 53.051 -17.089 18.331 1.00 1.00 C ATOM 710 O ARG A 46 54.100 -17.038 18.973 1.00 1.00 O ATOM 711 CB ARG A 46 51.242 -17.161 20.050 1.00 1.00 C ATOM 712 CG ARG A 46 52.303 -17.220 21.182 1.00 1.00 C ATOM 713 CD ARG A 46 52.968 -18.601 21.229 1.00 1.00 C ATOM 714 NE ARG A 46 52.007 -19.599 21.679 1.00 1.00 N ATOM 715 CZ ARG A 46 52.328 -20.885 21.734 1.00 1.00 C ATOM 716 NH1 ARG A 46 53.519 -21.274 21.372 1.00 1.00 N ATOM 717 NH2 ARG A 46 51.450 -21.757 22.148 1.00 1.00 N ATOM 0 H ARG A 46 50.976 -16.921 16.983 1.00 1.00 H new ATOM 0 HA ARG A 46 52.047 -15.378 19.139 1.00 1.00 H new ATOM 0 HB2 ARG A 46 50.338 -16.674 20.415 1.00 1.00 H new ATOM 0 HB3 ARG A 46 50.962 -18.171 19.752 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.059 -16.452 21.019 1.00 1.00 H new ATOM 0 HG3 ARG A 46 51.832 -17.005 22.141 1.00 1.00 H new ATOM 0 HD2 ARG A 46 53.345 -18.866 20.241 1.00 1.00 H new ATOM 0 HD3 ARG A 46 53.825 -18.579 21.902 1.00 1.00 H new ATOM 0 HE ARG A 46 51.071 -19.304 21.957 1.00 1.00 H new ATOM 0 HH11 ARG A 46 54.202 -20.590 21.047 1.00 1.00 H new ATOM 0 HH12 ARG A 46 53.767 -22.262 21.414 1.00 1.00 H new ATOM 0 HH21 ARG A 46 50.519 -21.449 22.429 1.00 1.00 H new ATOM 0 HH22 ARG A 46 51.695 -22.746 22.191 1.00 1.00 H new ATOM 731 N ASP A 47 52.938 -17.735 17.171 1.00 1.00 N ATOM 732 CA ASP A 47 54.080 -18.438 16.581 1.00 1.00 C ATOM 733 C ASP A 47 54.827 -17.522 15.626 1.00 1.00 C ATOM 734 O ASP A 47 55.849 -17.902 15.056 1.00 1.00 O ATOM 735 CB ASP A 47 53.616 -19.688 15.821 1.00 1.00 C ATOM 736 CG ASP A 47 54.818 -20.558 15.461 1.00 1.00 C ATOM 737 OD1 ASP A 47 55.746 -20.609 16.251 1.00 1.00 O ATOM 738 OD2 ASP A 47 54.790 -21.161 14.400 1.00 1.00 O ATOM 0 H ASP A 47 52.078 -17.787 16.625 1.00 1.00 H new ATOM 0 HA ASP A 47 54.744 -18.739 17.392 1.00 1.00 H new ATOM 0 HB2 ASP A 47 52.916 -20.256 16.433 1.00 1.00 H new ATOM 0 HB3 ASP A 47 53.084 -19.396 14.916 1.00 1.00 H new ATOM 743 N LEU A 48 54.306 -16.311 15.446 1.00 1.00 N ATOM 744 CA LEU A 48 54.935 -15.355 14.542 1.00 1.00 C ATOM 745 C LEU A 48 56.102 -14.659 15.236 1.00 1.00 C ATOM 746 O LEU A 48 56.831 -13.883 14.616 1.00 1.00 O ATOM 747 CB LEU A 48 53.902 -14.310 14.081 1.00 1.00 C ATOM 748 CG LEU A 48 54.346 -13.673 12.744 1.00 1.00 C ATOM 749 CD1 LEU A 48 53.861 -14.527 11.564 1.00 1.00 C ATOM 750 CD2 LEU A 48 53.755 -12.263 12.615 1.00 1.00 C ATOM 0 H LEU A 48 53.462 -15.972 15.907 1.00 1.00 H new ATOM 0 HA LEU A 48 55.313 -15.892 13.672 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.926 -14.781 13.961 1.00 1.00 H new ATOM 0 HB3 LEU A 48 53.792 -13.537 14.842 1.00 1.00 H new ATOM 0 HG LEU A 48 55.435 -13.619 12.731 1.00 1.00 H new ATOM 0 HD11 LEU A 48 54.180 -14.068 10.628 1.00 1.00 H new ATOM 0 HD12 LEU A 48 54.285 -15.528 11.641 1.00 1.00 H new ATOM 0 HD13 LEU A 48 52.773 -14.592 11.585 1.00 1.00 H new ATOM 0 HD21 LEU A 48 54.072 -11.821 11.671 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.667 -12.321 12.641 1.00 1.00 H new ATOM 0 HD23 LEU A 48 54.106 -11.645 13.441 1.00 1.00 H new ATOM 762 N TYR A 49 56.276 -14.941 16.529 1.00 1.00 N ATOM 763 CA TYR A 49 57.362 -14.336 17.305 1.00 1.00 C ATOM 764 C TYR A 49 58.441 -15.368 17.619 1.00 1.00 C ATOM 765 O TYR A 49 59.629 -15.044 17.658 1.00 1.00 O ATOM 766 CB TYR A 49 56.813 -13.746 18.611 1.00 1.00 C ATOM 767 CG TYR A 49 55.806 -12.667 18.289 1.00 1.00 C ATOM 768 CD1 TYR A 49 56.246 -11.390 17.920 1.00 1.00 C ATOM 769 CD2 TYR A 49 54.433 -12.941 18.361 1.00 1.00 C ATOM 770 CE1 TYR A 49 55.316 -10.387 17.622 1.00 1.00 C ATOM 771 CE2 TYR A 49 53.503 -11.937 18.062 1.00 1.00 C ATOM 772 CZ TYR A 49 53.945 -10.660 17.692 1.00 1.00 C ATOM 773 OH TYR A 49 53.028 -9.671 17.399 1.00 1.00 O ATOM 0 H TYR A 49 55.683 -15.580 17.059 1.00 1.00 H new ATOM 0 HA TYR A 49 57.805 -13.539 16.708 1.00 1.00 H new ATOM 0 HB2 TYR A 49 56.345 -14.529 19.208 1.00 1.00 H new ATOM 0 HB3 TYR A 49 57.627 -13.333 19.207 1.00 1.00 H new ATOM 0 HD1 TYR A 49 57.304 -11.179 17.865 1.00 1.00 H new ATOM 0 HD2 TYR A 49 54.093 -13.925 18.647 1.00 1.00 H new ATOM 0 HE1 TYR A 49 55.657 -9.402 17.338 1.00 1.00 H new ATOM 0 HE2 TYR A 49 52.445 -12.147 18.117 1.00 1.00 H new ATOM 0 HH TYR A 49 52.120 -10.028 17.495 1.00 1.00 H new ATOM 783 N SER A 50 58.025 -16.610 17.843 1.00 1.00 N ATOM 784 CA SER A 50 58.972 -17.674 18.151 1.00 1.00 C ATOM 785 C SER A 50 59.806 -18.035 16.925 1.00 1.00 C ATOM 786 O SER A 50 61.004 -18.292 17.030 1.00 1.00 O ATOM 787 CB SER A 50 58.219 -18.909 18.638 1.00 1.00 C ATOM 788 OG SER A 50 57.312 -19.330 17.627 1.00 1.00 O ATOM 0 H SER A 50 57.048 -16.902 17.817 1.00 1.00 H new ATOM 0 HA SER A 50 59.643 -17.319 18.933 1.00 1.00 H new ATOM 0 HB2 SER A 50 58.921 -19.710 18.871 1.00 1.00 H new ATOM 0 HB3 SER A 50 57.679 -18.682 19.557 1.00 1.00 H new ATOM 0 HG SER A 50 57.040 -20.256 17.797 1.00 1.00 H new ATOM 794 N GLY A 51 59.161 -18.062 15.762 1.00 1.00 N ATOM 795 CA GLY A 51 59.861 -18.404 14.523 1.00 1.00 C ATOM 796 C GLY A 51 60.594 -17.192 13.955 1.00 1.00 C ATOM 797 O GLY A 51 61.423 -17.322 13.053 1.00 1.00 O ATOM 0 H GLY A 51 58.169 -17.855 15.649 1.00 1.00 H new ATOM 0 HA2 GLY A 51 60.573 -19.207 14.713 1.00 1.00 H new ATOM 0 HA3 GLY A 51 59.147 -18.778 13.789 1.00 1.00 H new ATOM 801 N LEU A 52 60.273 -16.011 14.480 1.00 1.00 N ATOM 802 CA LEU A 52 60.900 -14.781 14.006 1.00 1.00 C ATOM 803 C LEU A 52 62.383 -14.793 14.337 1.00 1.00 C ATOM 804 O LEU A 52 63.214 -14.356 13.546 1.00 1.00 O ATOM 805 CB LEU A 52 60.213 -13.540 14.629 1.00 1.00 C ATOM 806 CG LEU A 52 60.237 -12.353 13.647 1.00 1.00 C ATOM 807 CD1 LEU A 52 61.682 -12.064 13.210 1.00 1.00 C ATOM 808 CD2 LEU A 52 59.348 -12.661 12.412 1.00 1.00 C ATOM 0 H LEU A 52 59.590 -15.881 15.226 1.00 1.00 H new ATOM 0 HA LEU A 52 60.782 -14.724 12.924 1.00 1.00 H new ATOM 0 HB2 LEU A 52 59.183 -13.781 14.890 1.00 1.00 H new ATOM 0 HB3 LEU A 52 60.720 -13.264 15.554 1.00 1.00 H new ATOM 0 HG LEU A 52 59.839 -11.470 14.147 1.00 1.00 H new ATOM 0 HD11 LEU A 52 61.691 -11.224 12.516 1.00 1.00 H new ATOM 0 HD12 LEU A 52 62.284 -11.819 14.085 1.00 1.00 H new ATOM 0 HD13 LEU A 52 62.097 -12.944 12.719 1.00 1.00 H new ATOM 0 HD21 LEU A 52 59.373 -11.815 11.725 1.00 1.00 H new ATOM 0 HD22 LEU A 52 59.724 -13.550 11.906 1.00 1.00 H new ATOM 0 HD23 LEU A 52 58.322 -12.835 12.736 1.00 1.00 H new ATOM 820 N ASN A 53 62.708 -15.293 15.519 1.00 1.00 N ATOM 821 CA ASN A 53 64.104 -15.344 15.936 1.00 1.00 C ATOM 822 C ASN A 53 64.970 -15.935 14.836 1.00 1.00 C ATOM 823 O ASN A 53 66.134 -15.562 14.688 1.00 1.00 O ATOM 824 CB ASN A 53 64.256 -16.178 17.215 1.00 1.00 C ATOM 825 CG ASN A 53 63.602 -17.541 17.013 1.00 1.00 C ATOM 826 OD1 ASN A 53 63.125 -17.842 15.922 1.00 1.00 O ATOM 827 ND2 ASN A 53 63.552 -18.388 18.005 1.00 1.00 N ATOM 0 H ASN A 53 62.041 -15.663 16.196 1.00 1.00 H new ATOM 0 HA ASN A 53 64.432 -14.324 16.136 1.00 1.00 H new ATOM 0 HB2 ASN A 53 65.311 -16.301 17.458 1.00 1.00 H new ATOM 0 HB3 ASN A 53 63.793 -15.662 18.056 1.00 1.00 H new ATOM 0 HD21 ASN A 53 63.116 -19.301 17.875 1.00 1.00 H new ATOM 0 HD22 ASN A 53 63.949 -18.137 18.911 1.00 1.00 H new ATOM 834 N GLN A 54 64.405 -16.861 14.064 1.00 1.00 N ATOM 835 CA GLN A 54 65.148 -17.512 12.984 1.00 1.00 C ATOM 836 C GLN A 54 66.549 -17.903 13.446 1.00 1.00 C ATOM 837 O GLN A 54 67.391 -18.280 12.632 1.00 1.00 O ATOM 838 CB GLN A 54 65.251 -16.587 11.775 1.00 1.00 C ATOM 839 CG GLN A 54 63.872 -16.433 11.142 1.00 1.00 C ATOM 840 CD GLN A 54 63.960 -15.516 9.932 1.00 1.00 C ATOM 841 OE1 GLN A 54 64.941 -14.661 9.846 1.00 1.00 O flip ATOM 842 NE2 GLN A 54 63.112 -15.577 9.042 1.00 1.00 N flip ATOM 0 H GLN A 54 63.440 -17.177 14.164 1.00 1.00 H new ATOM 0 HA GLN A 54 64.605 -18.414 12.702 1.00 1.00 H new ATOM 0 HB2 GLN A 54 65.636 -15.613 12.079 1.00 1.00 H new ATOM 0 HB3 GLN A 54 65.954 -16.995 11.049 1.00 1.00 H new ATOM 0 HG2 GLN A 54 63.488 -17.408 10.843 1.00 1.00 H new ATOM 0 HG3 GLN A 54 63.171 -16.024 11.870 1.00 1.00 H new ATOM 0 HE21 GLN A 54 62.346 -16.247 9.112 1.00 1.00 H new ATOM 0 HE22 GLN A 54 63.175 -14.958 8.234 1.00 1.00 H new ATOM 851 N ARG A 55 66.794 -17.814 14.759 1.00 1.00 N ATOM 852 CA ARG A 55 68.105 -18.153 15.334 1.00 1.00 C ATOM 853 C ARG A 55 69.239 -17.649 14.448 1.00 1.00 C ATOM 854 O ARG A 55 70.377 -18.101 14.560 1.00 1.00 O ATOM 855 CB ARG A 55 68.252 -19.667 15.523 1.00 1.00 C ATOM 856 CG ARG A 55 68.101 -20.396 14.179 1.00 1.00 C ATOM 857 CD ARG A 55 68.435 -21.875 14.356 1.00 1.00 C ATOM 858 NE ARG A 55 67.478 -22.502 15.262 1.00 1.00 N ATOM 859 CZ ARG A 55 67.820 -23.549 16.007 1.00 1.00 C ATOM 860 NH1 ARG A 55 69.024 -24.043 15.922 1.00 1.00 N ATOM 861 NH2 ARG A 55 66.949 -24.086 16.815 1.00 1.00 N ATOM 0 H ARG A 55 66.103 -17.510 15.445 1.00 1.00 H new ATOM 0 HA ARG A 55 68.164 -17.664 16.306 1.00 1.00 H new ATOM 0 HB2 ARG A 55 69.226 -19.892 15.958 1.00 1.00 H new ATOM 0 HB3 ARG A 55 67.499 -20.026 16.225 1.00 1.00 H new ATOM 0 HG2 ARG A 55 67.083 -20.285 13.807 1.00 1.00 H new ATOM 0 HG3 ARG A 55 68.762 -19.950 13.436 1.00 1.00 H new ATOM 0 HD2 ARG A 55 68.415 -22.378 13.389 1.00 1.00 H new ATOM 0 HD3 ARG A 55 69.445 -21.983 14.751 1.00 1.00 H new ATOM 0 HE ARG A 55 66.530 -22.131 15.325 1.00 1.00 H new ATOM 0 HH11 ARG A 55 69.702 -23.626 15.284 1.00 1.00 H new ATOM 0 HH12 ARG A 55 69.287 -24.846 16.493 1.00 1.00 H new ATOM 0 HH21 ARG A 55 66.006 -23.703 16.875 1.00 1.00 H new ATOM 0 HH22 ARG A 55 67.211 -24.889 17.387 1.00 1.00 H new ATOM 875 N ALA A 56 68.907 -16.723 13.560 1.00 1.00 N ATOM 876 CA ALA A 56 69.885 -16.160 12.633 1.00 1.00 C ATOM 877 C ALA A 56 69.497 -14.746 12.223 1.00 1.00 C ATOM 878 O ALA A 56 69.332 -14.455 11.038 1.00 1.00 O ATOM 879 CB ALA A 56 69.972 -17.038 11.387 1.00 1.00 C ATOM 0 H ALA A 56 67.966 -16.343 13.460 1.00 1.00 H new ATOM 0 HA ALA A 56 70.852 -16.124 13.135 1.00 1.00 H new ATOM 0 HB1 ALA A 56 70.702 -16.617 10.696 1.00 1.00 H new ATOM 0 HB2 ALA A 56 70.280 -18.044 11.672 1.00 1.00 H new ATOM 0 HB3 ALA A 56 68.996 -17.080 10.903 1.00 1.00 H new ATOM 885 N VAL A 57 69.359 -13.868 13.211 1.00 1.00 N ATOM 886 CA VAL A 57 68.995 -12.469 12.959 1.00 1.00 C ATOM 887 C VAL A 57 70.099 -11.539 13.453 1.00 1.00 C ATOM 888 O VAL A 57 70.402 -10.587 12.752 1.00 1.00 O ATOM 889 CB VAL A 57 67.687 -12.129 13.678 1.00 1.00 C ATOM 890 CG1 VAL A 57 67.904 -12.186 15.192 1.00 1.00 C ATOM 891 CG2 VAL A 57 67.240 -10.720 13.280 1.00 1.00 C ATOM 892 OXT VAL A 57 70.627 -11.795 14.521 1.00 1.00 O ATOM 0 H VAL A 57 69.493 -14.096 14.196 1.00 1.00 H new ATOM 0 HA VAL A 57 68.865 -12.334 11.885 1.00 1.00 H new ATOM 0 HB VAL A 57 66.920 -12.849 13.395 1.00 1.00 H new ATOM 0 HG11 VAL A 57 66.972 -11.944 15.703 1.00 1.00 H new ATOM 0 HG12 VAL A 57 68.223 -13.189 15.476 1.00 1.00 H new ATOM 0 HG13 VAL A 57 68.671 -11.466 15.477 1.00 1.00 H new ATOM 0 HG21 VAL A 57 66.309 -10.476 13.791 1.00 1.00 H new ATOM 0 HG22 VAL A 57 68.009 -10.001 13.563 1.00 1.00 H new ATOM 0 HG23 VAL A 57 67.084 -10.679 12.202 1.00 1.00 H new TER 902 VAL A 57