USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 369 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 SER N :NH3+ -132:sc= 0.115 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -17:sc= 0.545 USER MOD Single : A 3 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.6!) USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= -0.0529 (180deg=-0.481) USER MOD Single : A 7 GLN : amide:sc= -0.469 K(o=-0.47,f=-2.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0715 (180deg=-0.569) USER MOD Single : A 13 ASN : amide:sc= -0.656 K(o=-0.66,f=-3.3!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.7!) USER MOD Single : A 19 GLN : amide:sc= -0.921 K(o=-0.92,f=-0.24) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0864 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -27.091 -13.865 -28.791 1.00 10.00 N ATOM 2 CA SER A 1 -25.801 -13.132 -28.661 1.00 10.00 C ATOM 3 C SER A 1 -24.710 -14.098 -28.194 1.00 10.00 C ATOM 4 O SER A 1 -24.948 -15.275 -28.006 1.00 10.00 O ATOM 5 CB SER A 1 -25.954 -12.005 -27.638 1.00 10.00 C ATOM 6 OG SER A 1 -27.043 -11.173 -28.017 1.00 10.00 O ATOM 0 H1 SER A 1 -27.528 -13.639 -29.707 1.00 10.00 H new ATOM 0 H2 SER A 1 -26.916 -14.889 -28.734 1.00 10.00 H new ATOM 0 H3 SER A 1 -27.731 -13.580 -28.022 1.00 10.00 H new ATOM 0 HA SER A 1 -25.525 -12.710 -29.628 1.00 10.00 H new ATOM 0 HB2 SER A 1 -26.127 -12.420 -26.645 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.036 -11.420 -27.584 1.00 10.00 H new ATOM 0 HG SER A 1 -27.146 -10.450 -27.363 1.00 10.00 H new ATOM 14 N THR A 2 -23.515 -13.610 -28.005 1.00 10.00 N ATOM 15 CA THR A 2 -22.411 -14.501 -27.550 1.00 10.00 C ATOM 16 C THR A 2 -21.316 -13.660 -26.891 1.00 10.00 C ATOM 17 O THR A 2 -21.169 -13.649 -25.685 1.00 10.00 O ATOM 18 CB THR A 2 -21.828 -15.246 -28.754 1.00 10.00 C ATOM 19 OG1 THR A 2 -22.859 -15.983 -29.397 1.00 10.00 O ATOM 20 CG2 THR A 2 -20.732 -16.202 -28.282 1.00 10.00 C ATOM 0 H THR A 2 -23.256 -12.634 -28.146 1.00 10.00 H new ATOM 0 HA THR A 2 -22.798 -15.222 -26.830 1.00 10.00 H new ATOM 0 HB THR A 2 -21.403 -14.528 -29.456 1.00 10.00 H new ATOM 0 HG1 THR A 2 -23.622 -16.077 -28.789 1.00 10.00 H new ATOM 0 HG21 THR A 2 -20.317 -16.732 -29.140 1.00 10.00 H new ATOM 0 HG22 THR A 2 -19.942 -15.635 -27.789 1.00 10.00 H new ATOM 0 HG23 THR A 2 -21.154 -16.921 -27.580 1.00 10.00 H new ATOM 28 N ASN A 3 -20.544 -12.955 -27.674 1.00 10.00 N ATOM 29 CA ASN A 3 -19.460 -12.117 -27.091 1.00 10.00 C ATOM 30 C ASN A 3 -20.044 -11.208 -26.006 1.00 10.00 C ATOM 31 O ASN A 3 -21.208 -10.862 -26.050 1.00 10.00 O ATOM 32 CB ASN A 3 -18.832 -11.259 -28.192 1.00 10.00 C ATOM 33 CG ASN A 3 -17.758 -12.071 -28.919 1.00 10.00 C ATOM 34 OD1 ASN A 3 -17.456 -13.184 -28.535 1.00 10.00 O ATOM 35 ND2 ASN A 3 -17.165 -11.557 -29.962 1.00 10.00 N ATOM 0 H ASN A 3 -20.618 -12.924 -28.691 1.00 10.00 H new ATOM 0 HA ASN A 3 -18.698 -12.762 -26.653 1.00 10.00 H new ATOM 0 HB2 ASN A 3 -19.598 -10.935 -28.897 1.00 10.00 H new ATOM 0 HB3 ASN A 3 -18.394 -10.359 -27.761 1.00 10.00 H new ATOM 0 HD21 ASN A 3 -16.448 -12.089 -30.455 1.00 10.00 H new ATOM 0 HD22 ASN A 3 -17.419 -10.623 -30.284 1.00 10.00 H new ATOM 42 N PRO A 4 -19.213 -10.847 -25.062 1.00 10.00 N ATOM 43 CA PRO A 4 -19.611 -9.975 -23.944 1.00 10.00 C ATOM 44 C PRO A 4 -19.671 -8.514 -24.400 1.00 10.00 C ATOM 45 O PRO A 4 -20.032 -7.633 -23.646 1.00 10.00 O ATOM 46 CB PRO A 4 -18.495 -10.180 -22.915 1.00 10.00 C ATOM 47 CG PRO A 4 -17.265 -10.692 -23.702 1.00 10.00 C ATOM 48 CD PRO A 4 -17.799 -11.276 -25.023 1.00 10.00 C ATOM 0 HA PRO A 4 -20.599 -10.210 -23.548 1.00 10.00 H new ATOM 0 HB2 PRO A 4 -18.266 -9.247 -22.400 1.00 10.00 H new ATOM 0 HB3 PRO A 4 -18.796 -10.899 -22.153 1.00 10.00 H new ATOM 0 HG2 PRO A 4 -16.562 -9.881 -23.893 1.00 10.00 H new ATOM 0 HG3 PRO A 4 -16.729 -11.451 -23.132 1.00 10.00 H new ATOM 0 HD2 PRO A 4 -17.243 -10.896 -25.880 1.00 10.00 H new ATOM 0 HD3 PRO A 4 -17.711 -12.362 -25.043 1.00 10.00 H new ATOM 56 N LYS A 5 -19.320 -8.253 -25.629 1.00 10.00 N ATOM 57 CA LYS A 5 -19.357 -6.850 -26.133 1.00 10.00 C ATOM 58 C LYS A 5 -18.395 -5.988 -25.311 1.00 10.00 C ATOM 59 O LYS A 5 -18.812 -5.273 -24.421 1.00 10.00 O ATOM 60 CB LYS A 5 -20.778 -6.298 -25.999 1.00 10.00 C ATOM 61 CG LYS A 5 -21.711 -7.058 -26.944 1.00 10.00 C ATOM 62 CD LYS A 5 -22.573 -6.061 -27.720 1.00 10.00 C ATOM 63 CE LYS A 5 -23.366 -6.802 -28.800 1.00 10.00 C ATOM 64 NZ LYS A 5 -22.434 -7.277 -29.860 1.00 10.00 N ATOM 0 H LYS A 5 -19.009 -8.950 -26.306 1.00 10.00 H new ATOM 0 HA LYS A 5 -19.057 -6.831 -27.181 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -21.124 -6.399 -24.970 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -20.790 -5.234 -26.236 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -21.129 -7.667 -27.635 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -22.345 -7.739 -26.376 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -23.254 -5.548 -27.041 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -21.943 -5.297 -28.176 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -23.897 -7.647 -28.362 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -24.119 -6.142 -29.231 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -22.960 -7.420 -30.746 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -21.689 -6.567 -30.011 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -22.002 -8.176 -29.565 1.00 10.00 H new ATOM 78 N PRO A 6 -17.131 -6.083 -25.636 1.00 10.00 N ATOM 79 CA PRO A 6 -16.074 -5.323 -24.946 1.00 10.00 C ATOM 80 C PRO A 6 -16.053 -3.872 -25.435 1.00 10.00 C ATOM 81 O PRO A 6 -16.109 -3.605 -26.619 1.00 10.00 O ATOM 82 CB PRO A 6 -14.789 -6.054 -25.345 1.00 10.00 C ATOM 83 CG PRO A 6 -15.106 -6.813 -26.656 1.00 10.00 C ATOM 84 CD PRO A 6 -16.638 -6.957 -26.721 1.00 10.00 C ATOM 0 HA PRO A 6 -16.214 -5.276 -23.866 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -13.971 -5.349 -25.493 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -14.476 -6.745 -24.562 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -14.731 -6.266 -27.521 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -14.624 -7.791 -26.664 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -17.026 -6.646 -27.691 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -16.947 -7.991 -26.571 1.00 10.00 H new ATOM 92 N GLN A 7 -15.971 -2.933 -24.533 1.00 10.00 N ATOM 93 CA GLN A 7 -15.945 -1.502 -24.945 1.00 10.00 C ATOM 94 C GLN A 7 -14.562 -1.158 -25.502 1.00 10.00 C ATOM 95 O GLN A 7 -14.310 -1.287 -26.684 1.00 10.00 O ATOM 96 CB GLN A 7 -16.241 -0.615 -23.734 1.00 10.00 C ATOM 97 CG GLN A 7 -17.720 -0.224 -23.736 1.00 10.00 C ATOM 98 CD GLN A 7 -17.847 1.293 -23.884 1.00 10.00 C ATOM 99 OE1 GLN A 7 -16.912 2.022 -23.618 1.00 10.00 O ATOM 100 NE2 GLN A 7 -18.974 1.804 -24.301 1.00 10.00 N ATOM 0 H GLN A 7 -15.921 -3.096 -23.527 1.00 10.00 H new ATOM 0 HA GLN A 7 -16.700 -1.332 -25.712 1.00 10.00 H new ATOM 0 HB2 GLN A 7 -15.995 -1.145 -22.813 1.00 10.00 H new ATOM 0 HB3 GLN A 7 -15.618 0.279 -23.764 1.00 10.00 H new ATOM 0 HG2 GLN A 7 -18.238 -0.724 -24.554 1.00 10.00 H new ATOM 0 HG3 GLN A 7 -18.195 -0.551 -22.811 1.00 10.00 H new ATOM 0 HE21 GLN A 7 -19.759 1.193 -24.525 1.00 10.00 H new ATOM 0 HE22 GLN A 7 -19.069 2.814 -24.403 1.00 10.00 H new ATOM 109 N ARG A 8 -13.665 -0.723 -24.661 1.00 10.00 N ATOM 110 CA ARG A 8 -12.300 -0.372 -25.144 1.00 10.00 C ATOM 111 C ARG A 8 -11.408 -0.034 -23.947 1.00 10.00 C ATOM 112 O ARG A 8 -11.452 1.058 -23.417 1.00 10.00 O ATOM 113 CB ARG A 8 -12.383 0.839 -26.076 1.00 10.00 C ATOM 114 CG ARG A 8 -11.031 1.051 -26.759 1.00 10.00 C ATOM 115 CD ARG A 8 -11.247 1.299 -28.253 1.00 10.00 C ATOM 116 NE ARG A 8 -10.096 2.072 -28.799 1.00 10.00 N ATOM 117 CZ ARG A 8 -9.307 1.528 -29.685 1.00 10.00 C ATOM 118 NH1 ARG A 8 -8.293 0.804 -29.299 1.00 10.00 N ATOM 119 NH2 ARG A 8 -9.532 1.710 -30.958 1.00 10.00 N ATOM 0 H ARG A 8 -13.818 -0.595 -23.661 1.00 10.00 H new ATOM 0 HA ARG A 8 -11.878 -1.218 -25.686 1.00 10.00 H new ATOM 0 HB2 ARG A 8 -13.160 0.683 -26.824 1.00 10.00 H new ATOM 0 HB3 ARG A 8 -12.660 1.728 -25.510 1.00 10.00 H new ATOM 0 HG2 ARG A 8 -10.514 1.899 -26.310 1.00 10.00 H new ATOM 0 HG3 ARG A 8 -10.397 0.177 -26.613 1.00 10.00 H new ATOM 0 HD2 ARG A 8 -11.344 0.350 -28.780 1.00 10.00 H new ATOM 0 HD3 ARG A 8 -12.175 1.848 -28.411 1.00 10.00 H new ATOM 0 HE ARG A 8 -9.925 3.026 -28.480 1.00 10.00 H new ATOM 0 HH11 ARG A 8 -8.116 0.663 -28.304 1.00 10.00 H new ATOM 0 HH12 ARG A 8 -7.677 0.379 -29.992 1.00 10.00 H new ATOM 0 HH21 ARG A 8 -10.324 2.277 -31.260 1.00 10.00 H new ATOM 0 HH22 ARG A 8 -8.916 1.285 -31.651 1.00 10.00 H new ATOM 133 N LYS A 9 -10.597 -0.962 -23.518 1.00 10.00 N ATOM 134 CA LYS A 9 -9.704 -0.691 -22.356 1.00 10.00 C ATOM 135 C LYS A 9 -8.588 -1.736 -22.314 1.00 10.00 C ATOM 136 O LYS A 9 -7.523 -1.543 -22.865 1.00 10.00 O ATOM 137 CB LYS A 9 -10.516 -0.758 -21.060 1.00 10.00 C ATOM 138 CG LYS A 9 -9.570 -0.685 -19.860 1.00 10.00 C ATOM 139 CD LYS A 9 -10.097 0.339 -18.854 1.00 10.00 C ATOM 140 CE LYS A 9 -8.927 0.924 -18.060 1.00 10.00 C ATOM 141 NZ LYS A 9 -9.303 2.267 -17.537 1.00 10.00 N ATOM 0 H LYS A 9 -10.514 -1.895 -23.921 1.00 10.00 H new ATOM 0 HA LYS A 9 -9.267 0.302 -22.459 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -11.231 0.064 -21.023 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -11.092 -1.683 -21.027 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -9.488 -1.664 -19.388 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -8.569 -0.405 -20.189 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -10.631 1.134 -19.374 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -10.809 -0.133 -18.178 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -8.666 0.261 -17.235 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -8.046 1.004 -18.696 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -8.508 2.665 -16.997 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -9.532 2.898 -18.332 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -10.133 2.178 -16.916 1.00 10.00 H new ATOM 155 N THR A 10 -8.822 -2.844 -21.663 1.00 10.00 N ATOM 156 CA THR A 10 -7.775 -3.898 -21.586 1.00 10.00 C ATOM 157 C THR A 10 -8.254 -5.019 -20.665 1.00 10.00 C ATOM 158 O THR A 10 -9.281 -4.914 -20.022 1.00 10.00 O ATOM 159 CB THR A 10 -6.483 -3.294 -21.029 1.00 10.00 C ATOM 160 OG1 THR A 10 -5.626 -4.340 -20.591 1.00 10.00 O ATOM 161 CG2 THR A 10 -6.813 -2.377 -19.852 1.00 10.00 C ATOM 0 H THR A 10 -9.694 -3.063 -21.182 1.00 10.00 H new ATOM 0 HA THR A 10 -7.586 -4.300 -22.581 1.00 10.00 H new ATOM 0 HB THR A 10 -5.985 -2.716 -21.808 1.00 10.00 H new ATOM 0 HG1 THR A 10 -4.797 -3.957 -20.235 1.00 10.00 H new ATOM 0 HG21 THR A 10 -5.893 -1.948 -19.456 1.00 10.00 H new ATOM 0 HG22 THR A 10 -7.472 -1.576 -20.188 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.310 -2.952 -19.071 1.00 10.00 H new ATOM 169 N LYS A 11 -7.519 -6.091 -20.595 1.00 10.00 N ATOM 170 CA LYS A 11 -7.927 -7.222 -19.715 1.00 10.00 C ATOM 171 C LYS A 11 -8.052 -6.727 -18.274 1.00 10.00 C ATOM 172 O LYS A 11 -7.794 -5.577 -17.979 1.00 10.00 O ATOM 173 CB LYS A 11 -6.873 -8.329 -19.786 1.00 10.00 C ATOM 174 CG LYS A 11 -6.771 -8.848 -21.222 1.00 10.00 C ATOM 175 CD LYS A 11 -6.387 -10.329 -21.203 1.00 10.00 C ATOM 176 CE LYS A 11 -6.436 -10.887 -22.626 1.00 10.00 C ATOM 177 NZ LYS A 11 -5.614 -10.029 -23.525 1.00 10.00 N ATOM 0 H LYS A 11 -6.650 -6.235 -21.110 1.00 10.00 H new ATOM 0 HA LYS A 11 -8.888 -7.614 -20.048 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -5.907 -7.947 -19.457 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -7.140 -9.143 -19.112 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -7.723 -8.715 -21.737 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -6.026 -8.275 -21.775 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -5.387 -10.451 -20.787 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -7.069 -10.884 -20.560 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -6.061 -11.910 -22.640 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -7.466 -10.920 -22.980 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -5.365 -10.563 -24.382 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -6.158 -9.183 -23.790 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -4.745 -9.741 -23.031 1.00 10.00 H new ATOM 191 N ARG A 12 -8.447 -7.584 -17.372 1.00 10.00 N ATOM 192 CA ARG A 12 -8.587 -7.157 -15.951 1.00 10.00 C ATOM 193 C ARG A 12 -8.506 -8.382 -15.037 1.00 10.00 C ATOM 194 O ARG A 12 -9.474 -9.094 -14.852 1.00 10.00 O ATOM 195 CB ARG A 12 -9.938 -6.466 -15.757 1.00 10.00 C ATOM 196 CG ARG A 12 -9.765 -5.250 -14.844 1.00 10.00 C ATOM 197 CD ARG A 12 -10.116 -3.977 -15.617 1.00 10.00 C ATOM 198 NE ARG A 12 -9.330 -2.834 -15.074 1.00 10.00 N ATOM 199 CZ ARG A 12 -8.050 -2.966 -14.856 1.00 10.00 C ATOM 200 NH1 ARG A 12 -7.206 -2.884 -15.848 1.00 10.00 N ATOM 201 NH2 ARG A 12 -7.613 -3.180 -13.645 1.00 10.00 N ATOM 0 H ARG A 12 -8.678 -8.560 -17.557 1.00 10.00 H new ATOM 0 HA ARG A 12 -7.784 -6.464 -15.701 1.00 10.00 H new ATOM 0 HB2 ARG A 12 -10.341 -6.155 -16.721 1.00 10.00 H new ATOM 0 HB3 ARG A 12 -10.655 -7.162 -15.321 1.00 10.00 H new ATOM 0 HG2 ARG A 12 -10.407 -5.345 -13.968 1.00 10.00 H new ATOM 0 HG3 ARG A 12 -8.738 -5.197 -14.482 1.00 10.00 H new ATOM 0 HD2 ARG A 12 -9.899 -4.111 -16.677 1.00 10.00 H new ATOM 0 HD3 ARG A 12 -11.183 -3.771 -15.534 1.00 10.00 H new ATOM 0 HE ARG A 12 -9.793 -1.948 -14.872 1.00 10.00 H new ATOM 0 HH11 ARG A 12 -7.547 -2.717 -16.795 1.00 10.00 H new ATOM 0 HH12 ARG A 12 -6.206 -2.987 -15.677 1.00 10.00 H new ATOM 0 HH21 ARG A 12 -8.272 -3.244 -12.869 1.00 10.00 H new ATOM 0 HH22 ARG A 12 -6.613 -3.283 -13.475 1.00 10.00 H new ATOM 215 N ASN A 13 -7.362 -8.631 -14.464 1.00 10.00 N ATOM 216 CA ASN A 13 -7.221 -9.808 -13.560 1.00 10.00 C ATOM 217 C ASN A 13 -6.966 -9.322 -12.131 1.00 10.00 C ATOM 218 O ASN A 13 -7.761 -9.542 -11.239 1.00 10.00 O ATOM 219 CB ASN A 13 -6.044 -10.668 -14.023 1.00 10.00 C ATOM 220 CG ASN A 13 -5.945 -11.915 -13.142 1.00 10.00 C ATOM 221 OD1 ASN A 13 -5.703 -11.816 -11.955 1.00 10.00 O ATOM 222 ND2 ASN A 13 -6.123 -13.092 -13.676 1.00 10.00 N ATOM 0 H ASN A 13 -6.518 -8.071 -14.582 1.00 10.00 H new ATOM 0 HA ASN A 13 -8.136 -10.400 -13.587 1.00 10.00 H new ATOM 0 HB2 ASN A 13 -6.178 -10.956 -15.066 1.00 10.00 H new ATOM 0 HB3 ASN A 13 -5.118 -10.096 -13.967 1.00 10.00 H new ATOM 0 HD21 ASN A 13 -6.059 -13.930 -13.097 1.00 10.00 H new ATOM 0 HD22 ASN A 13 -6.326 -13.175 -14.672 1.00 10.00 H new ATOM 229 N THR A 14 -5.864 -8.659 -11.911 1.00 10.00 N ATOM 230 CA THR A 14 -5.557 -8.156 -10.542 1.00 10.00 C ATOM 231 C THR A 14 -4.919 -6.770 -10.643 1.00 10.00 C ATOM 232 O THR A 14 -3.714 -6.625 -10.583 1.00 10.00 O ATOM 233 CB THR A 14 -4.587 -9.118 -9.851 1.00 10.00 C ATOM 234 OG1 THR A 14 -4.345 -8.670 -8.524 1.00 10.00 O ATOM 235 CG2 THR A 14 -3.270 -9.160 -10.625 1.00 10.00 C ATOM 0 H THR A 14 -5.163 -8.444 -12.620 1.00 10.00 H new ATOM 0 HA THR A 14 -6.477 -8.091 -9.961 1.00 10.00 H new ATOM 0 HB THR A 14 -5.022 -10.117 -9.825 1.00 10.00 H new ATOM 0 HG1 THR A 14 -3.725 -9.285 -8.079 1.00 10.00 H new ATOM 0 HG21 THR A 14 -2.580 -9.845 -10.132 1.00 10.00 H new ATOM 0 HG22 THR A 14 -3.457 -9.503 -11.643 1.00 10.00 H new ATOM 0 HG23 THR A 14 -2.832 -8.162 -10.653 1.00 10.00 H new ATOM 243 N ASN A 15 -5.717 -5.749 -10.802 1.00 10.00 N ATOM 244 CA ASN A 15 -5.156 -4.373 -10.910 1.00 10.00 C ATOM 245 C ASN A 15 -4.129 -4.148 -9.798 1.00 10.00 C ATOM 246 O ASN A 15 -4.465 -3.752 -8.700 1.00 10.00 O ATOM 247 CB ASN A 15 -6.285 -3.349 -10.777 1.00 10.00 C ATOM 248 CG ASN A 15 -5.878 -2.049 -11.471 1.00 10.00 C ATOM 249 OD1 ASN A 15 -4.898 -2.011 -12.189 1.00 10.00 O ATOM 250 ND2 ASN A 15 -6.593 -0.972 -11.288 1.00 10.00 N ATOM 0 H ASN A 15 -6.733 -5.809 -10.862 1.00 10.00 H new ATOM 0 HA ASN A 15 -4.671 -4.256 -11.879 1.00 10.00 H new ATOM 0 HB2 ASN A 15 -7.200 -3.740 -11.222 1.00 10.00 H new ATOM 0 HB3 ASN A 15 -6.498 -3.161 -9.725 1.00 10.00 H new ATOM 0 HD21 ASN A 15 -6.329 -0.100 -11.747 1.00 10.00 H new ATOM 0 HD22 ASN A 15 -7.416 -1.002 -10.686 1.00 10.00 H new ATOM 257 N ARG A 16 -2.881 -4.402 -10.074 1.00 10.00 N ATOM 258 CA ARG A 16 -1.831 -4.215 -9.058 1.00 10.00 C ATOM 259 C ARG A 16 -1.453 -2.739 -8.967 1.00 10.00 C ATOM 260 O ARG A 16 -2.054 -1.890 -9.593 1.00 10.00 O ATOM 261 CB ARG A 16 -0.616 -5.026 -9.487 1.00 10.00 C ATOM 262 CG ARG A 16 -0.459 -6.233 -8.567 1.00 10.00 C ATOM 263 CD ARG A 16 0.813 -6.080 -7.732 1.00 10.00 C ATOM 264 NE ARG A 16 2.002 -6.111 -8.629 1.00 10.00 N ATOM 265 CZ ARG A 16 2.296 -7.201 -9.283 1.00 10.00 C ATOM 266 NH1 ARG A 16 1.728 -8.330 -8.959 1.00 10.00 N ATOM 267 NH2 ARG A 16 3.158 -7.162 -10.263 1.00 10.00 N ATOM 0 H ARG A 16 -2.547 -4.736 -10.978 1.00 10.00 H new ATOM 0 HA ARG A 16 -2.187 -4.544 -8.082 1.00 10.00 H new ATOM 0 HB2 ARG A 16 -0.731 -5.355 -10.520 1.00 10.00 H new ATOM 0 HB3 ARG A 16 0.280 -4.407 -9.448 1.00 10.00 H new ATOM 0 HG2 ARG A 16 -1.327 -6.320 -7.913 1.00 10.00 H new ATOM 0 HG3 ARG A 16 -0.411 -7.149 -9.157 1.00 10.00 H new ATOM 0 HD2 ARG A 16 0.786 -5.142 -7.178 1.00 10.00 H new ATOM 0 HD3 ARG A 16 0.877 -6.883 -6.997 1.00 10.00 H new ATOM 0 HE ARG A 16 2.586 -5.281 -8.732 1.00 10.00 H new ATOM 0 HH11 ARG A 16 1.054 -8.361 -8.194 1.00 10.00 H new ATOM 0 HH12 ARG A 16 1.958 -9.182 -9.471 1.00 10.00 H new ATOM 0 HH21 ARG A 16 3.602 -6.279 -10.517 1.00 10.00 H new ATOM 0 HH22 ARG A 16 3.388 -8.014 -10.774 1.00 10.00 H new ATOM 281 N ARG A 17 -0.457 -2.468 -8.169 1.00 10.00 N ATOM 282 CA ARG A 17 0.060 -1.078 -7.935 1.00 10.00 C ATOM 283 C ARG A 17 0.028 -0.791 -6.428 1.00 10.00 C ATOM 284 O ARG A 17 1.010 -0.339 -5.875 1.00 10.00 O ATOM 285 CB ARG A 17 -0.745 -0.013 -8.695 1.00 10.00 C ATOM 286 CG ARG A 17 -0.083 1.353 -8.503 1.00 10.00 C ATOM 287 CD ARG A 17 1.195 1.424 -9.340 1.00 10.00 C ATOM 288 NE ARG A 17 1.788 2.786 -9.228 1.00 10.00 N ATOM 289 CZ ARG A 17 1.496 3.699 -10.114 1.00 10.00 C ATOM 290 NH1 ARG A 17 1.521 3.406 -11.385 1.00 10.00 N ATOM 291 NH2 ARG A 17 1.180 4.904 -9.727 1.00 10.00 N ATOM 0 H ARG A 17 0.045 -3.184 -7.644 1.00 10.00 H new ATOM 0 HA ARG A 17 1.080 -1.026 -8.315 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -0.790 -0.262 -9.755 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -1.772 0.013 -8.330 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -0.769 2.146 -8.800 1.00 10.00 H new ATOM 0 HG3 ARG A 17 0.150 1.511 -7.450 1.00 10.00 H new ATOM 0 HD2 ARG A 17 1.909 0.676 -8.997 1.00 10.00 H new ATOM 0 HD3 ARG A 17 0.972 1.197 -10.383 1.00 10.00 H new ATOM 0 HE ARG A 17 2.422 3.005 -8.459 1.00 10.00 H new ATOM 0 HH11 ARG A 17 1.769 2.464 -11.686 1.00 10.00 H new ATOM 0 HH12 ARG A 17 1.293 4.119 -12.077 1.00 10.00 H new ATOM 0 HH21 ARG A 17 1.161 5.132 -8.733 1.00 10.00 H new ATOM 0 HH22 ARG A 17 0.952 5.618 -10.418 1.00 10.00 H new ATOM 305 N PRO A 18 -1.083 -1.094 -5.793 1.00 10.00 N ATOM 306 CA PRO A 18 -1.231 -0.909 -4.340 1.00 10.00 C ATOM 307 C PRO A 18 -0.637 -2.110 -3.639 1.00 10.00 C ATOM 308 O PRO A 18 -0.143 -2.054 -2.531 1.00 10.00 O ATOM 309 CB PRO A 18 -2.738 -0.886 -4.130 1.00 10.00 C ATOM 310 CG PRO A 18 -3.362 -1.627 -5.336 1.00 10.00 C ATOM 311 CD PRO A 18 -2.295 -1.643 -6.446 1.00 10.00 C ATOM 0 HA PRO A 18 -0.739 -0.014 -3.959 1.00 10.00 H new ATOM 0 HB2 PRO A 18 -3.006 -1.375 -3.193 1.00 10.00 H new ATOM 0 HB3 PRO A 18 -3.106 0.138 -4.072 1.00 10.00 H new ATOM 0 HG2 PRO A 18 -3.649 -2.642 -5.060 1.00 10.00 H new ATOM 0 HG3 PRO A 18 -4.266 -1.121 -5.675 1.00 10.00 H new ATOM 0 HD2 PRO A 18 -2.124 -2.653 -6.819 1.00 10.00 H new ATOM 0 HD3 PRO A 18 -2.598 -1.035 -7.299 1.00 10.00 H new ATOM 319 N GLN A 19 -0.718 -3.199 -4.315 1.00 10.00 N ATOM 320 CA GLN A 19 -0.212 -4.488 -3.805 1.00 10.00 C ATOM 321 C GLN A 19 1.230 -4.673 -4.189 1.00 10.00 C ATOM 322 O GLN A 19 1.670 -5.715 -4.634 1.00 10.00 O ATOM 323 CB GLN A 19 -0.995 -5.556 -4.455 1.00 10.00 C ATOM 324 CG GLN A 19 -2.097 -6.020 -3.520 1.00 10.00 C ATOM 325 CD GLN A 19 -3.449 -5.917 -4.227 1.00 10.00 C ATOM 326 OE1 GLN A 19 -3.883 -6.850 -4.873 1.00 10.00 O ATOM 327 NE2 GLN A 19 -4.136 -4.812 -4.131 1.00 10.00 N ATOM 0 H GLN A 19 -1.133 -3.255 -5.245 1.00 10.00 H new ATOM 0 HA GLN A 19 -0.301 -4.516 -2.719 1.00 10.00 H new ATOM 0 HB2 GLN A 19 -1.425 -5.190 -5.387 1.00 10.00 H new ATOM 0 HB3 GLN A 19 -0.345 -6.393 -4.711 1.00 10.00 H new ATOM 0 HG2 GLN A 19 -1.915 -7.049 -3.210 1.00 10.00 H new ATOM 0 HG3 GLN A 19 -2.101 -5.411 -2.616 1.00 10.00 H new ATOM 0 HE21 GLN A 19 -3.770 -4.030 -3.588 1.00 10.00 H new ATOM 0 HE22 GLN A 19 -5.039 -4.731 -4.599 1.00 10.00 H new ATOM 336 N ASP A 20 1.933 -3.656 -4.010 1.00 10.00 N ATOM 337 CA ASP A 20 3.379 -3.644 -4.329 1.00 10.00 C ATOM 338 C ASP A 20 4.043 -2.561 -3.528 1.00 10.00 C ATOM 339 O ASP A 20 5.134 -2.725 -3.020 1.00 10.00 O ATOM 340 CB ASP A 20 3.567 -3.324 -5.799 1.00 10.00 C ATOM 341 CG ASP A 20 5.014 -2.908 -6.081 1.00 10.00 C ATOM 342 OD1 ASP A 20 5.819 -3.784 -6.354 1.00 10.00 O ATOM 343 OD2 ASP A 20 5.292 -1.722 -6.019 1.00 10.00 O ATOM 0 H ASP A 20 1.576 -2.775 -3.639 1.00 10.00 H new ATOM 0 HA ASP A 20 3.811 -4.617 -4.096 1.00 10.00 H new ATOM 0 HB2 ASP A 20 3.310 -4.195 -6.402 1.00 10.00 H new ATOM 0 HB3 ASP A 20 2.889 -2.522 -6.091 1.00 10.00 H new ATOM 348 N VAL A 21 3.414 -1.436 -3.434 1.00 10.00 N ATOM 349 CA VAL A 21 4.060 -0.356 -2.691 1.00 10.00 C ATOM 350 C VAL A 21 3.919 -0.599 -1.199 1.00 10.00 C ATOM 351 O VAL A 21 4.374 0.174 -0.380 1.00 10.00 O ATOM 352 CB VAL A 21 3.470 1.001 -3.078 1.00 10.00 C ATOM 353 CG1 VAL A 21 4.124 2.101 -2.240 1.00 10.00 C ATOM 354 CG2 VAL A 21 3.732 1.267 -4.561 1.00 10.00 C ATOM 0 H VAL A 21 2.499 -1.226 -3.833 1.00 10.00 H new ATOM 0 HA VAL A 21 5.120 -0.342 -2.946 1.00 10.00 H new ATOM 0 HB VAL A 21 2.396 0.995 -2.894 1.00 10.00 H new ATOM 0 HG11 VAL A 21 3.703 3.068 -2.516 1.00 10.00 H new ATOM 0 HG12 VAL A 21 3.937 1.913 -1.183 1.00 10.00 H new ATOM 0 HG13 VAL A 21 5.199 2.107 -2.423 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.312 2.234 -4.837 1.00 10.00 H new ATOM 0 HG22 VAL A 21 4.806 1.272 -4.745 1.00 10.00 H new ATOM 0 HG23 VAL A 21 3.265 0.484 -5.159 1.00 10.00 H new ATOM 364 N LYS A 22 3.326 -1.690 -0.845 1.00 10.00 N ATOM 365 CA LYS A 22 3.178 -2.040 0.559 1.00 10.00 C ATOM 366 C LYS A 22 4.158 -3.168 0.838 1.00 10.00 C ATOM 367 O LYS A 22 4.127 -3.814 1.859 1.00 10.00 O ATOM 368 CB LYS A 22 1.775 -2.545 0.756 1.00 10.00 C ATOM 369 CG LYS A 22 1.552 -3.604 -0.303 1.00 10.00 C ATOM 370 CD LYS A 22 0.680 -4.716 0.253 1.00 10.00 C ATOM 371 CE LYS A 22 -0.554 -4.113 0.925 1.00 10.00 C ATOM 372 NZ LYS A 22 -1.337 -5.193 1.588 1.00 10.00 N ATOM 0 H LYS A 22 2.930 -2.367 -1.497 1.00 10.00 H new ATOM 0 HA LYS A 22 3.367 -1.192 1.218 1.00 10.00 H new ATOM 0 HB2 LYS A 22 1.648 -2.962 1.755 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.052 -1.735 0.654 1.00 10.00 H new ATOM 0 HG2 LYS A 22 1.077 -3.161 -1.178 1.00 10.00 H new ATOM 0 HG3 LYS A 22 2.509 -4.010 -0.631 1.00 10.00 H new ATOM 0 HD2 LYS A 22 0.377 -5.390 -0.549 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.245 -5.310 0.972 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.253 -3.365 1.658 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -1.171 -3.603 0.185 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -2.176 -4.783 2.045 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -1.636 -5.891 0.878 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -0.746 -5.660 2.305 1.00 10.00 H new ATOM 386 N PHE A 23 5.007 -3.426 -0.112 1.00 10.00 N ATOM 387 CA PHE A 23 5.990 -4.509 0.022 1.00 10.00 C ATOM 388 C PHE A 23 5.285 -5.686 0.645 1.00 10.00 C ATOM 389 O PHE A 23 5.459 -6.034 1.796 1.00 10.00 O ATOM 390 CB PHE A 23 7.125 -3.966 0.792 1.00 10.00 C ATOM 391 CG PHE A 23 7.545 -2.764 0.009 1.00 10.00 C ATOM 392 CD1 PHE A 23 6.880 -1.552 0.207 1.00 10.00 C ATOM 393 CD2 PHE A 23 8.522 -2.879 -0.980 1.00 10.00 C ATOM 394 CE1 PHE A 23 7.204 -0.445 -0.572 1.00 10.00 C ATOM 395 CE2 PHE A 23 8.843 -1.775 -1.770 1.00 10.00 C ATOM 396 CZ PHE A 23 8.185 -0.553 -1.568 1.00 10.00 C ATOM 0 H PHE A 23 5.055 -2.914 -0.993 1.00 10.00 H new ATOM 0 HA PHE A 23 6.401 -4.871 -0.921 1.00 10.00 H new ATOM 0 HB2 PHE A 23 6.829 -3.699 1.806 1.00 10.00 H new ATOM 0 HB3 PHE A 23 7.934 -4.691 0.877 1.00 10.00 H new ATOM 0 HD1 PHE A 23 6.114 -1.474 0.965 1.00 10.00 H new ATOM 0 HD2 PHE A 23 9.029 -3.820 -1.134 1.00 10.00 H new ATOM 0 HE1 PHE A 23 6.700 0.496 -0.409 1.00 10.00 H new ATOM 0 HE2 PHE A 23 9.598 -1.861 -2.537 1.00 10.00 H new ATOM 0 HZ PHE A 23 8.433 0.303 -2.178 1.00 10.00 H new ATOM 406 N PRO A 24 4.443 -6.195 -0.195 1.00 10.00 N ATOM 407 CA PRO A 24 3.539 -7.301 0.100 1.00 10.00 C ATOM 408 C PRO A 24 4.294 -8.631 0.114 1.00 10.00 C ATOM 409 O PRO A 24 3.727 -9.674 0.368 1.00 10.00 O ATOM 410 CB PRO A 24 2.545 -7.232 -1.063 1.00 10.00 C ATOM 411 CG PRO A 24 3.254 -6.511 -2.224 1.00 10.00 C ATOM 412 CD PRO A 24 4.357 -5.682 -1.580 1.00 10.00 C ATOM 0 HA PRO A 24 3.062 -7.233 1.078 1.00 10.00 H new ATOM 0 HB2 PRO A 24 2.234 -8.233 -1.364 1.00 10.00 H new ATOM 0 HB3 PRO A 24 1.644 -6.694 -0.768 1.00 10.00 H new ATOM 0 HG2 PRO A 24 3.666 -7.226 -2.936 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.559 -5.878 -2.775 1.00 10.00 H new ATOM 0 HD2 PRO A 24 5.303 -5.802 -2.107 1.00 10.00 H new ATOM 0 HD3 PRO A 24 4.116 -4.619 -1.596 1.00 10.00 H new ATOM 420 N GLY A 25 5.573 -8.603 -0.144 1.00 10.00 N ATOM 421 CA GLY A 25 6.356 -9.868 -0.127 1.00 10.00 C ATOM 422 C GLY A 25 6.063 -10.610 1.175 1.00 10.00 C ATOM 423 O GLY A 25 6.224 -11.811 1.270 1.00 10.00 O ATOM 0 H GLY A 25 6.107 -7.762 -0.365 1.00 10.00 H new ATOM 0 HA2 GLY A 25 6.090 -10.488 -0.983 1.00 10.00 H new ATOM 0 HA3 GLY A 25 7.422 -9.653 -0.208 1.00 10.00 H new ATOM 427 N GLY A 26 5.630 -9.900 2.182 1.00 10.00 N ATOM 428 CA GLY A 26 5.320 -10.555 3.482 1.00 10.00 C ATOM 429 C GLY A 26 6.189 -9.948 4.583 1.00 10.00 C ATOM 430 O GLY A 26 6.733 -10.650 5.412 1.00 10.00 O ATOM 0 H GLY A 26 5.478 -8.892 2.158 1.00 10.00 H new ATOM 0 HA2 GLY A 26 4.265 -10.424 3.724 1.00 10.00 H new ATOM 0 HA3 GLY A 26 5.501 -11.628 3.412 1.00 10.00 H new ATOM 434 N GLY A 27 6.332 -8.650 4.602 1.00 10.00 N ATOM 435 CA GLY A 27 7.171 -8.018 5.654 1.00 10.00 C ATOM 436 C GLY A 27 6.317 -7.071 6.497 1.00 10.00 C ATOM 437 O GLY A 27 5.651 -7.479 7.427 1.00 10.00 O ATOM 0 H GLY A 27 5.905 -8.005 3.937 1.00 10.00 H new ATOM 0 HA2 GLY A 27 7.614 -8.785 6.289 1.00 10.00 H new ATOM 0 HA3 GLY A 27 7.994 -7.470 5.195 1.00 10.00 H new ATOM 441 N GLN A 28 6.356 -5.804 6.195 1.00 10.00 N ATOM 442 CA GLN A 28 5.581 -4.823 6.987 1.00 10.00 C ATOM 443 C GLN A 28 4.869 -3.823 6.074 1.00 10.00 C ATOM 444 O GLN A 28 3.803 -3.342 6.390 1.00 10.00 O ATOM 445 CB GLN A 28 6.564 -4.069 7.863 1.00 10.00 C ATOM 446 CG GLN A 28 6.124 -4.202 9.306 1.00 10.00 C ATOM 447 CD GLN A 28 6.731 -3.072 10.142 1.00 10.00 C ATOM 448 OE1 GLN A 28 6.692 -1.922 9.751 1.00 10.00 O ATOM 449 NE2 GLN A 28 7.293 -3.354 11.286 1.00 10.00 N ATOM 0 H GLN A 28 6.897 -5.408 5.427 1.00 10.00 H new ATOM 0 HA GLN A 28 4.828 -5.343 7.579 1.00 10.00 H new ATOM 0 HB2 GLN A 28 7.570 -4.470 7.735 1.00 10.00 H new ATOM 0 HB3 GLN A 28 6.601 -3.019 7.574 1.00 10.00 H new ATOM 0 HG2 GLN A 28 5.036 -4.168 9.368 1.00 10.00 H new ATOM 0 HG3 GLN A 28 6.436 -5.168 9.703 1.00 10.00 H new ATOM 0 HE21 GLN A 28 7.326 -4.319 11.614 1.00 10.00 H new ATOM 0 HE22 GLN A 28 7.699 -2.609 11.852 1.00 10.00 H new ATOM 458 N ILE A 29 5.481 -3.494 4.967 1.00 10.00 N ATOM 459 CA ILE A 29 4.906 -2.495 3.998 1.00 10.00 C ATOM 460 C ILE A 29 5.303 -1.093 4.440 1.00 10.00 C ATOM 461 O ILE A 29 5.173 -0.137 3.701 1.00 10.00 O ATOM 462 CB ILE A 29 3.365 -2.600 3.878 1.00 10.00 C ATOM 463 CG1 ILE A 29 2.672 -1.658 4.876 1.00 10.00 C ATOM 464 CG2 ILE A 29 2.910 -4.042 4.123 1.00 10.00 C ATOM 465 CD1 ILE A 29 2.354 -0.331 4.183 1.00 10.00 C ATOM 0 H ILE A 29 6.380 -3.883 4.681 1.00 10.00 H new ATOM 0 HA ILE A 29 5.312 -2.714 3.010 1.00 10.00 H new ATOM 0 HB ILE A 29 3.084 -2.303 2.868 1.00 10.00 H new ATOM 0 HG12 ILE A 29 1.756 -2.115 5.249 1.00 10.00 H new ATOM 0 HG13 ILE A 29 3.316 -1.486 5.738 1.00 10.00 H new ATOM 0 HG21 ILE A 29 1.825 -4.101 4.036 1.00 10.00 H new ATOM 0 HG22 ILE A 29 3.370 -4.699 3.385 1.00 10.00 H new ATOM 0 HG23 ILE A 29 3.211 -4.353 5.123 1.00 10.00 H new ATOM 0 HD11 ILE A 29 1.862 0.339 4.888 1.00 10.00 H new ATOM 0 HD12 ILE A 29 3.279 0.127 3.832 1.00 10.00 H new ATOM 0 HD13 ILE A 29 1.694 -0.513 3.335 1.00 10.00 H new ATOM 477 N VAL A 30 5.797 -0.964 5.631 1.00 10.00 N ATOM 478 CA VAL A 30 6.211 0.371 6.106 1.00 10.00 C ATOM 479 C VAL A 30 7.717 0.505 5.917 1.00 10.00 C ATOM 480 O VAL A 30 8.354 1.349 6.516 1.00 10.00 O ATOM 481 CB VAL A 30 5.878 0.506 7.586 1.00 10.00 C ATOM 482 CG1 VAL A 30 6.269 1.901 8.076 1.00 10.00 C ATOM 483 CG2 VAL A 30 4.378 0.289 7.795 1.00 10.00 C ATOM 0 H VAL A 30 5.931 -1.726 6.295 1.00 10.00 H new ATOM 0 HA VAL A 30 5.689 1.147 5.545 1.00 10.00 H new ATOM 0 HB VAL A 30 6.434 -0.242 8.151 1.00 10.00 H new ATOM 0 HG11 VAL A 30 6.030 1.995 9.135 1.00 10.00 H new ATOM 0 HG12 VAL A 30 7.339 2.051 7.931 1.00 10.00 H new ATOM 0 HG13 VAL A 30 5.718 2.653 7.511 1.00 10.00 H new ATOM 0 HG21 VAL A 30 4.141 0.386 8.854 1.00 10.00 H new ATOM 0 HG22 VAL A 30 3.820 1.035 7.228 1.00 10.00 H new ATOM 0 HG23 VAL A 30 4.103 -0.708 7.451 1.00 10.00 H new ATOM 493 N GLY A 31 8.298 -0.324 5.097 1.00 10.00 N ATOM 494 CA GLY A 31 9.767 -0.228 4.895 1.00 10.00 C ATOM 495 C GLY A 31 10.136 -0.147 3.418 1.00 10.00 C ATOM 496 O GLY A 31 11.191 0.348 3.077 1.00 10.00 O ATOM 0 H GLY A 31 7.826 -1.055 4.565 1.00 10.00 H new ATOM 0 HA2 GLY A 31 10.147 0.653 5.413 1.00 10.00 H new ATOM 0 HA3 GLY A 31 10.252 -1.095 5.343 1.00 10.00 H new ATOM 500 N GLY A 32 9.311 -0.610 2.532 1.00 10.00 N ATOM 501 CA GLY A 32 9.708 -0.514 1.100 1.00 10.00 C ATOM 502 C GLY A 32 9.381 0.865 0.563 1.00 10.00 C ATOM 503 O GLY A 32 10.053 1.384 -0.305 1.00 10.00 O ATOM 0 H GLY A 32 8.405 -1.039 2.722 1.00 10.00 H new ATOM 0 HA2 GLY A 32 10.775 -0.710 0.996 1.00 10.00 H new ATOM 0 HA3 GLY A 32 9.186 -1.273 0.518 1.00 10.00 H new ATOM 507 N VAL A 33 8.417 1.495 1.142 1.00 10.00 N ATOM 508 CA VAL A 33 8.109 2.893 0.746 1.00 10.00 C ATOM 509 C VAL A 33 9.230 3.752 1.333 1.00 10.00 C ATOM 510 O VAL A 33 9.384 4.924 1.053 1.00 10.00 O ATOM 511 CB VAL A 33 6.764 3.305 1.344 1.00 10.00 C ATOM 512 CG1 VAL A 33 6.639 4.829 1.330 1.00 10.00 C ATOM 513 CG2 VAL A 33 5.630 2.692 0.519 1.00 10.00 C ATOM 0 H VAL A 33 7.823 1.108 1.875 1.00 10.00 H new ATOM 0 HA VAL A 33 8.046 3.007 -0.336 1.00 10.00 H new ATOM 0 HB VAL A 33 6.701 2.948 2.372 1.00 10.00 H new ATOM 0 HG11 VAL A 33 5.679 5.119 1.757 1.00 10.00 H new ATOM 0 HG12 VAL A 33 7.445 5.266 1.919 1.00 10.00 H new ATOM 0 HG13 VAL A 33 6.704 5.190 0.304 1.00 10.00 H new ATOM 0 HG21 VAL A 33 4.671 2.985 0.945 1.00 10.00 H new ATOM 0 HG22 VAL A 33 5.695 3.048 -0.509 1.00 10.00 H new ATOM 0 HG23 VAL A 33 5.716 1.605 0.533 1.00 10.00 H new ATOM 523 N TYR A 34 10.005 3.113 2.158 1.00 10.00 N ATOM 524 CA TYR A 34 11.154 3.721 2.849 1.00 10.00 C ATOM 525 C TYR A 34 12.416 3.198 2.159 1.00 10.00 C ATOM 526 O TYR A 34 13.492 3.750 2.275 1.00 10.00 O ATOM 527 CB TYR A 34 11.047 3.260 4.304 1.00 10.00 C ATOM 528 CG TYR A 34 9.614 3.507 4.717 1.00 10.00 C ATOM 529 CD1 TYR A 34 8.601 2.628 4.301 1.00 10.00 C ATOM 530 CD2 TYR A 34 9.285 4.645 5.448 1.00 10.00 C ATOM 531 CE1 TYR A 34 7.273 2.887 4.622 1.00 10.00 C ATOM 532 CE2 TYR A 34 7.952 4.909 5.766 1.00 10.00 C ATOM 533 CZ TYR A 34 6.942 4.031 5.354 1.00 10.00 C ATOM 534 OH TYR A 34 5.625 4.296 5.669 1.00 10.00 O ATOM 0 H TYR A 34 9.871 2.129 2.390 1.00 10.00 H new ATOM 0 HA TYR A 34 11.181 4.810 2.817 1.00 10.00 H new ATOM 0 HB2 TYR A 34 11.304 2.205 4.398 1.00 10.00 H new ATOM 0 HB3 TYR A 34 11.737 3.814 4.940 1.00 10.00 H new ATOM 0 HD1 TYR A 34 8.854 1.747 3.729 1.00 10.00 H new ATOM 0 HD2 TYR A 34 10.061 5.324 5.769 1.00 10.00 H new ATOM 0 HE1 TYR A 34 6.498 2.205 4.306 1.00 10.00 H new ATOM 0 HE2 TYR A 34 7.699 5.793 6.332 1.00 10.00 H new ATOM 0 HH TYR A 34 5.573 5.130 6.182 1.00 10.00 H new ATOM 544 N LEU A 35 12.248 2.149 1.392 1.00 10.00 N ATOM 545 CA LEU A 35 13.365 1.569 0.606 1.00 10.00 C ATOM 546 C LEU A 35 13.348 2.238 -0.766 1.00 10.00 C ATOM 547 O LEU A 35 14.065 1.871 -1.674 1.00 10.00 O ATOM 548 CB LEU A 35 13.114 0.069 0.453 1.00 10.00 C ATOM 549 CG LEU A 35 13.409 -0.599 1.788 1.00 10.00 C ATOM 550 CD1 LEU A 35 12.530 -1.841 1.953 1.00 10.00 C ATOM 551 CD2 LEU A 35 14.884 -1.005 1.844 1.00 10.00 C ATOM 0 H LEU A 35 11.358 1.663 1.280 1.00 10.00 H new ATOM 0 HA LEU A 35 14.328 1.727 1.093 1.00 10.00 H new ATOM 0 HB2 LEU A 35 12.082 -0.116 0.155 1.00 10.00 H new ATOM 0 HB3 LEU A 35 13.750 -0.346 -0.329 1.00 10.00 H new ATOM 0 HG LEU A 35 13.194 0.102 2.594 1.00 10.00 H new ATOM 0 HD11 LEU A 35 12.746 -2.315 2.911 1.00 10.00 H new ATOM 0 HD12 LEU A 35 11.480 -1.551 1.920 1.00 10.00 H new ATOM 0 HD13 LEU A 35 12.737 -2.543 1.146 1.00 10.00 H new ATOM 0 HD21 LEU A 35 15.094 -1.483 2.801 1.00 10.00 H new ATOM 0 HD22 LEU A 35 15.100 -1.702 1.035 1.00 10.00 H new ATOM 0 HD23 LEU A 35 15.510 -0.119 1.737 1.00 10.00 H new ATOM 563 N LEU A 36 12.505 3.222 -0.902 1.00 10.00 N ATOM 564 CA LEU A 36 12.372 3.956 -2.188 1.00 10.00 C ATOM 565 C LEU A 36 13.510 4.975 -2.368 1.00 10.00 C ATOM 566 O LEU A 36 14.086 5.060 -3.433 1.00 10.00 O ATOM 567 CB LEU A 36 11.012 4.667 -2.221 1.00 10.00 C ATOM 568 CG LEU A 36 9.912 3.664 -1.895 1.00 10.00 C ATOM 569 CD1 LEU A 36 8.549 4.290 -2.193 1.00 10.00 C ATOM 570 CD2 LEU A 36 10.094 2.409 -2.751 1.00 10.00 C ATOM 0 H LEU A 36 11.890 3.554 -0.159 1.00 10.00 H new ATOM 0 HA LEU A 36 12.436 3.242 -3.009 1.00 10.00 H new ATOM 0 HB2 LEU A 36 10.999 5.485 -1.501 1.00 10.00 H new ATOM 0 HB3 LEU A 36 10.841 5.105 -3.205 1.00 10.00 H new ATOM 0 HG LEU A 36 9.967 3.395 -0.840 1.00 10.00 H new ATOM 0 HD11 LEU A 36 7.761 3.574 -1.960 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.418 5.184 -1.583 1.00 10.00 H new ATOM 0 HD13 LEU A 36 8.495 4.559 -3.248 1.00 10.00 H new ATOM 0 HD21 LEU A 36 9.307 1.692 -2.517 1.00 10.00 H new ATOM 0 HD22 LEU A 36 10.039 2.677 -3.806 1.00 10.00 H new ATOM 0 HD23 LEU A 36 11.066 1.963 -2.540 1.00 10.00 H new ATOM 582 N PRO A 37 13.802 5.720 -1.331 1.00 10.00 N ATOM 583 CA PRO A 37 14.867 6.737 -1.373 1.00 10.00 C ATOM 584 C PRO A 37 16.245 6.067 -1.265 1.00 10.00 C ATOM 585 O PRO A 37 16.761 5.543 -2.233 1.00 10.00 O ATOM 586 CB PRO A 37 14.565 7.621 -0.158 1.00 10.00 C ATOM 587 CG PRO A 37 13.729 6.752 0.812 1.00 10.00 C ATOM 588 CD PRO A 37 13.110 5.623 -0.034 1.00 10.00 C ATOM 0 HA PRO A 37 14.891 7.309 -2.301 1.00 10.00 H new ATOM 0 HB2 PRO A 37 15.487 7.958 0.317 1.00 10.00 H new ATOM 0 HB3 PRO A 37 14.014 8.514 -0.454 1.00 10.00 H new ATOM 0 HG2 PRO A 37 14.356 6.344 1.605 1.00 10.00 H new ATOM 0 HG3 PRO A 37 12.952 7.346 1.294 1.00 10.00 H new ATOM 0 HD2 PRO A 37 13.266 4.648 0.428 1.00 10.00 H new ATOM 0 HD3 PRO A 37 12.034 5.754 -0.146 1.00 10.00 H new ATOM 596 N ARG A 38 16.853 6.078 -0.106 1.00 10.00 N ATOM 597 CA ARG A 38 18.174 5.457 0.049 1.00 10.00 C ATOM 598 C ARG A 38 18.007 4.024 0.558 1.00 10.00 C ATOM 599 O ARG A 38 17.608 3.138 -0.173 1.00 10.00 O ATOM 600 CB ARG A 38 18.959 6.328 1.030 1.00 10.00 C ATOM 601 CG ARG A 38 18.105 6.641 2.267 1.00 10.00 C ATOM 602 CD ARG A 38 18.995 6.647 3.512 1.00 10.00 C ATOM 603 NE ARG A 38 19.587 8.002 3.691 1.00 10.00 N ATOM 604 CZ ARG A 38 20.252 8.557 2.716 1.00 10.00 C ATOM 605 NH1 ARG A 38 21.507 8.255 2.526 1.00 10.00 N ATOM 606 NH2 ARG A 38 19.661 9.414 1.929 1.00 10.00 N ATOM 0 H ARG A 38 16.474 6.500 0.742 1.00 10.00 H new ATOM 0 HA ARG A 38 18.713 5.396 -0.896 1.00 10.00 H new ATOM 0 HB2 ARG A 38 19.873 5.816 1.331 1.00 10.00 H new ATOM 0 HB3 ARG A 38 19.259 7.256 0.543 1.00 10.00 H new ATOM 0 HG2 ARG A 38 17.618 7.609 2.150 1.00 10.00 H new ATOM 0 HG3 ARG A 38 17.315 5.897 2.375 1.00 10.00 H new ATOM 0 HD2 ARG A 38 18.411 6.374 4.391 1.00 10.00 H new ATOM 0 HD3 ARG A 38 19.785 5.903 3.411 1.00 10.00 H new ATOM 0 HE ARG A 38 19.472 8.496 4.576 1.00 10.00 H new ATOM 0 HH11 ARG A 38 21.969 7.584 3.140 1.00 10.00 H new ATOM 0 HH12 ARG A 38 22.026 8.690 1.763 1.00 10.00 H new ATOM 0 HH21 ARG A 38 18.680 9.649 2.077 1.00 10.00 H new ATOM 0 HH22 ARG A 38 20.181 9.848 1.166 1.00 10.00 H new ATOM 620 N ARG A 39 18.305 3.793 1.791 1.00 10.00 N ATOM 621 CA ARG A 39 18.174 2.430 2.362 1.00 10.00 C ATOM 622 C ARG A 39 16.962 2.386 3.297 1.00 10.00 C ATOM 623 O ARG A 39 16.469 1.331 3.642 1.00 10.00 O ATOM 624 CB ARG A 39 19.439 2.108 3.152 1.00 10.00 C ATOM 625 CG ARG A 39 20.050 0.814 2.625 1.00 10.00 C ATOM 626 CD ARG A 39 21.135 0.328 3.588 1.00 10.00 C ATOM 627 NE ARG A 39 20.498 -0.274 4.794 1.00 10.00 N ATOM 628 CZ ARG A 39 21.084 -1.258 5.420 1.00 10.00 C ATOM 629 NH1 ARG A 39 21.179 -2.428 4.851 1.00 10.00 N ATOM 630 NH2 ARG A 39 21.573 -1.071 6.616 1.00 10.00 N ATOM 0 H ARG A 39 18.641 4.500 2.445 1.00 10.00 H new ATOM 0 HA ARG A 39 18.039 1.701 1.563 1.00 10.00 H new ATOM 0 HB2 ARG A 39 20.155 2.925 3.061 1.00 10.00 H new ATOM 0 HB3 ARG A 39 19.203 2.007 4.211 1.00 10.00 H new ATOM 0 HG2 ARG A 39 19.277 0.053 2.518 1.00 10.00 H new ATOM 0 HG3 ARG A 39 20.475 0.978 1.635 1.00 10.00 H new ATOM 0 HD2 ARG A 39 21.771 -0.407 3.095 1.00 10.00 H new ATOM 0 HD3 ARG A 39 21.776 1.160 3.880 1.00 10.00 H new ATOM 0 HE ARG A 39 19.604 0.083 5.130 1.00 10.00 H new ATOM 0 HH11 ARG A 39 20.795 -2.574 3.917 1.00 10.00 H new ATOM 0 HH12 ARG A 39 21.637 -3.197 5.340 1.00 10.00 H new ATOM 0 HH21 ARG A 39 21.497 -0.156 7.061 1.00 10.00 H new ATOM 0 HH22 ARG A 39 22.031 -1.840 7.106 1.00 10.00 H new ATOM 644 N GLY A 40 16.483 3.528 3.711 1.00 10.00 N ATOM 645 CA GLY A 40 15.307 3.557 4.627 1.00 10.00 C ATOM 646 C GLY A 40 15.777 3.891 6.046 1.00 10.00 C ATOM 647 O GLY A 40 15.897 3.016 6.880 1.00 10.00 O ATOM 0 H GLY A 40 16.855 4.442 3.454 1.00 10.00 H new ATOM 0 HA2 GLY A 40 14.585 4.299 4.287 1.00 10.00 H new ATOM 0 HA3 GLY A 40 14.800 2.592 4.617 1.00 10.00 H new ATOM 651 N PRO A 41 16.033 5.154 6.272 1.00 10.00 N ATOM 652 CA PRO A 41 16.498 5.649 7.579 1.00 10.00 C ATOM 653 C PRO A 41 15.328 5.756 8.560 1.00 10.00 C ATOM 654 O PRO A 41 14.181 5.852 8.167 1.00 10.00 O ATOM 655 CB PRO A 41 17.067 7.034 7.256 1.00 10.00 C ATOM 656 CG PRO A 41 16.399 7.484 5.936 1.00 10.00 C ATOM 657 CD PRO A 41 15.881 6.207 5.247 1.00 10.00 C ATOM 0 HA PRO A 41 17.228 4.991 8.050 1.00 10.00 H new ATOM 0 HB2 PRO A 41 16.853 7.739 8.059 1.00 10.00 H new ATOM 0 HB3 PRO A 41 18.151 6.993 7.148 1.00 10.00 H new ATOM 0 HG2 PRO A 41 15.581 8.177 6.132 1.00 10.00 H new ATOM 0 HG3 PRO A 41 17.113 8.006 5.299 1.00 10.00 H new ATOM 0 HD2 PRO A 41 14.841 6.315 4.938 1.00 10.00 H new ATOM 0 HD3 PRO A 41 16.457 5.976 4.351 1.00 10.00 H new ATOM 665 N ARG A 42 15.607 5.741 9.835 1.00 10.00 N ATOM 666 CA ARG A 42 14.511 5.841 10.839 1.00 10.00 C ATOM 667 C ARG A 42 14.466 7.263 11.403 1.00 10.00 C ATOM 668 O ARG A 42 15.287 7.647 12.211 1.00 10.00 O ATOM 669 CB ARG A 42 14.769 4.851 11.977 1.00 10.00 C ATOM 670 CG ARG A 42 16.222 4.974 12.442 1.00 10.00 C ATOM 671 CD ARG A 42 16.271 4.969 13.971 1.00 10.00 C ATOM 672 NE ARG A 42 17.299 5.941 14.439 1.00 10.00 N ATOM 673 CZ ARG A 42 17.014 7.213 14.499 1.00 10.00 C ATOM 674 NH1 ARG A 42 15.952 7.614 15.144 1.00 10.00 N ATOM 675 NH2 ARG A 42 17.790 8.084 13.916 1.00 10.00 N ATOM 0 H ARG A 42 16.547 5.664 10.224 1.00 10.00 H new ATOM 0 HA ARG A 42 13.559 5.607 10.362 1.00 10.00 H new ATOM 0 HB2 ARG A 42 14.092 5.051 12.808 1.00 10.00 H new ATOM 0 HB3 ARG A 42 14.569 3.834 11.641 1.00 10.00 H new ATOM 0 HG2 ARG A 42 16.813 4.148 12.046 1.00 10.00 H new ATOM 0 HG3 ARG A 42 16.662 5.894 12.057 1.00 10.00 H new ATOM 0 HD2 ARG A 42 15.295 5.232 14.377 1.00 10.00 H new ATOM 0 HD3 ARG A 42 16.508 3.969 14.334 1.00 10.00 H new ATOM 0 HE ARG A 42 18.225 5.612 14.712 1.00 10.00 H new ATOM 0 HH11 ARG A 42 15.345 6.933 15.601 1.00 10.00 H new ATOM 0 HH12 ARG A 42 15.729 8.608 15.191 1.00 10.00 H new ATOM 0 HH21 ARG A 42 18.620 7.771 13.413 1.00 10.00 H new ATOM 0 HH22 ARG A 42 17.567 9.078 13.963 1.00 10.00 H new ATOM 689 N LEU A 43 13.513 8.048 10.981 1.00 10.00 N ATOM 690 CA LEU A 43 13.416 9.444 11.493 1.00 10.00 C ATOM 691 C LEU A 43 12.081 9.632 12.214 1.00 10.00 C ATOM 692 O LEU A 43 11.265 10.446 11.827 1.00 10.00 O ATOM 693 CB LEU A 43 13.508 10.424 10.322 1.00 10.00 C ATOM 694 CG LEU A 43 14.970 10.587 9.904 1.00 10.00 C ATOM 695 CD1 LEU A 43 15.347 9.481 8.918 1.00 10.00 C ATOM 696 CD2 LEU A 43 15.161 11.950 9.236 1.00 10.00 C ATOM 0 H LEU A 43 12.798 7.783 10.304 1.00 10.00 H new ATOM 0 HA LEU A 43 14.233 9.633 12.189 1.00 10.00 H new ATOM 0 HB2 LEU A 43 12.917 10.059 9.482 1.00 10.00 H new ATOM 0 HB3 LEU A 43 13.091 11.389 10.609 1.00 10.00 H new ATOM 0 HG LEU A 43 15.608 10.521 10.786 1.00 10.00 H new ATOM 0 HD11 LEU A 43 16.389 9.598 8.621 1.00 10.00 H new ATOM 0 HD12 LEU A 43 15.212 8.509 9.393 1.00 10.00 H new ATOM 0 HD13 LEU A 43 14.709 9.546 8.037 1.00 10.00 H new ATOM 0 HD21 LEU A 43 16.203 12.066 8.938 1.00 10.00 H new ATOM 0 HD22 LEU A 43 14.522 12.016 8.355 1.00 10.00 H new ATOM 0 HD23 LEU A 43 14.894 12.740 9.938 1.00 10.00 H new ATOM 708 N GLY A 44 11.850 8.886 13.259 1.00 10.00 N ATOM 709 CA GLY A 44 10.566 9.022 14.004 1.00 10.00 C ATOM 710 C GLY A 44 10.617 10.272 14.882 1.00 10.00 C ATOM 711 O GLY A 44 10.421 10.140 16.080 1.00 10.00 O ATOM 712 OXT GLY A 44 10.851 11.342 14.345 1.00 10.00 O ATOM 0 H GLY A 44 12.495 8.188 13.630 1.00 10.00 H new ATOM 0 HA2 GLY A 44 9.733 9.089 13.305 1.00 10.00 H new ATOM 0 HA3 GLY A 44 10.395 8.139 14.620 1.00 10.00 H new TER 716 GLY A 44