USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 541 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 3 ASN : amide:sc= -0.148 K(o=-0.15,f=-2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0288 K(o=-0.029,f=-0.85) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= -0.257 (180deg=-0.749) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl 150:sc= -0.23 (180deg=-0.765) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -55:sc= 0.836 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.899 K(o=-0.9,f=-1.8) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.57 K(o=-1.6,f=-4.7!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.611 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= -0.21 (180deg=-0.737) USER MOD Single : A 42 SER OG : rot -58:sc= 0.00475 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0559 K(o=-0.056,f=-1.8!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -6.623 -13.799 -1.003 1.00 54.04 N ATOM 2 CA PRO A 1 -6.094 -13.402 -2.312 1.00 32.43 C ATOM 3 C PRO A 1 -5.561 -14.590 -3.106 1.00 21.05 C ATOM 4 O PRO A 1 -5.088 -15.571 -2.531 1.00 3.41 O ATOM 5 CB PRO A 1 -4.956 -12.442 -1.958 1.00 15.53 C ATOM 6 CG PRO A 1 -4.532 -12.845 -0.588 1.00 33.02 C ATOM 7 CD PRO A 1 -5.776 -13.329 0.105 1.00 12.53 C ATOM 0 H2 PRO A 1 -6.699 -14.815 -0.963 1.00 54.04 H new ATOM 0 H3 PRO A 1 -7.565 -13.425 -0.891 1.00 54.04 H new ATOM 0 HA PRO A 1 -6.863 -12.959 -2.945 1.00 32.43 H new ATOM 0 HB2 PRO A 1 -4.133 -12.525 -2.668 1.00 15.53 H new ATOM 0 HB3 PRO A 1 -5.292 -11.405 -1.979 1.00 15.53 H new ATOM 0 HG2 PRO A 1 -3.777 -13.630 -0.628 1.00 33.02 H new ATOM 0 HG3 PRO A 1 -4.089 -12.005 -0.053 1.00 33.02 H new ATOM 0 HD2 PRO A 1 -5.557 -14.130 0.811 1.00 12.53 H new ATOM 0 HD3 PRO A 1 -6.258 -12.531 0.669 1.00 12.53 H new ATOM 15 N ARG A 2 -5.640 -14.495 -4.429 1.00 31.02 N ATOM 16 CA ARG A 2 -5.166 -15.562 -5.301 1.00 62.52 C ATOM 17 C ARG A 2 -3.859 -15.167 -5.983 1.00 21.34 C ATOM 18 O ARG A 2 -3.861 -14.657 -7.102 1.00 1.01 O ATOM 19 CB ARG A 2 -6.223 -15.896 -6.356 1.00 3.04 C ATOM 20 CG ARG A 2 -7.161 -17.019 -5.944 1.00 4.01 C ATOM 21 CD ARG A 2 -8.045 -16.607 -4.778 1.00 13.31 C ATOM 22 NE ARG A 2 -8.808 -15.396 -5.071 1.00 32.31 N ATOM 23 CZ ARG A 2 -9.543 -14.755 -4.169 1.00 53.35 C ATOM 24 NH1 ARG A 2 -9.614 -15.205 -2.925 1.00 31.44 N ATOM 25 NH2 ARG A 2 -10.209 -13.659 -4.513 1.00 31.44 N ATOM 0 H ARG A 2 -6.028 -13.690 -4.920 1.00 31.02 H new ATOM 0 HA ARG A 2 -4.984 -16.444 -4.687 1.00 62.52 H new ATOM 0 HB2 ARG A 2 -6.810 -15.002 -6.565 1.00 3.04 H new ATOM 0 HB3 ARG A 2 -5.723 -16.174 -7.284 1.00 3.04 H new ATOM 0 HG2 ARG A 2 -7.784 -17.303 -6.792 1.00 4.01 H new ATOM 0 HG3 ARG A 2 -6.579 -17.898 -5.668 1.00 4.01 H new ATOM 0 HD2 ARG A 2 -8.732 -17.419 -4.539 1.00 13.31 H new ATOM 0 HD3 ARG A 2 -7.427 -16.442 -3.895 1.00 13.31 H new ATOM 0 HE ARG A 2 -8.775 -15.022 -6.020 1.00 32.31 H new ATOM 0 HH11 ARG A 2 -9.103 -16.046 -2.657 1.00 31.44 H new ATOM 0 HH12 ARG A 2 -10.179 -14.710 -2.235 1.00 31.44 H new ATOM 0 HH21 ARG A 2 -10.156 -13.309 -5.470 1.00 31.44 H new ATOM 0 HH22 ARG A 2 -10.773 -13.167 -3.821 1.00 31.44 H new ATOM 39 N ASN A 3 -2.745 -15.407 -5.299 1.00 2.24 N ATOM 40 CA ASN A 3 -1.431 -15.075 -5.837 1.00 41.14 C ATOM 41 C ASN A 3 -0.540 -16.312 -5.900 1.00 74.12 C ATOM 42 O ASN A 3 0.677 -16.224 -5.738 1.00 2.03 O ATOM 43 CB ASN A 3 -0.764 -13.996 -4.982 1.00 42.54 C ATOM 44 CG ASN A 3 0.211 -13.149 -5.777 1.00 43.25 C ATOM 45 OD1 ASN A 3 0.311 -13.278 -6.998 1.00 22.03 O ATOM 46 ND2 ASN A 3 0.937 -12.277 -5.087 1.00 55.52 N ATOM 0 H ASN A 3 -2.726 -15.830 -4.371 1.00 2.24 H new ATOM 0 HA ASN A 3 -1.567 -14.695 -6.849 1.00 41.14 H new ATOM 0 HB2 ASN A 3 -1.531 -13.353 -4.550 1.00 42.54 H new ATOM 0 HB3 ASN A 3 -0.238 -14.468 -4.152 1.00 42.54 H new ATOM 0 HD21 ASN A 3 1.610 -11.680 -5.568 1.00 55.52 H new ATOM 0 HD22 ASN A 3 0.821 -12.204 -4.076 1.00 55.52 H new ATOM 53 N THR A 4 -1.156 -17.466 -6.138 1.00 21.33 N ATOM 54 CA THR A 4 -0.420 -18.722 -6.222 1.00 14.33 C ATOM 55 C THR A 4 0.601 -18.686 -7.353 1.00 2.24 C ATOM 56 O THR A 4 1.610 -19.390 -7.313 1.00 21.22 O ATOM 57 CB THR A 4 -1.369 -19.915 -6.440 1.00 73.31 C ATOM 58 OG1 THR A 4 -0.615 -21.129 -6.538 1.00 55.25 O ATOM 59 CG2 THR A 4 -2.198 -19.724 -7.701 1.00 15.30 C ATOM 0 H THR A 4 -2.163 -17.557 -6.276 1.00 21.33 H new ATOM 0 HA THR A 4 0.099 -18.849 -5.272 1.00 14.33 H new ATOM 0 HB THR A 4 -2.044 -19.975 -5.586 1.00 73.31 H new ATOM 0 HG1 THR A 4 -1.226 -21.883 -6.675 1.00 55.25 H new ATOM 0 HG21 THR A 4 -2.861 -20.579 -7.834 1.00 15.30 H new ATOM 0 HG22 THR A 4 -2.793 -18.815 -7.611 1.00 15.30 H new ATOM 0 HG23 THR A 4 -1.536 -19.641 -8.563 1.00 15.30 H new ATOM 67 N ARG A 5 0.334 -17.861 -8.359 1.00 53.35 N ATOM 68 CA ARG A 5 1.230 -17.734 -9.502 1.00 43.30 C ATOM 69 C ARG A 5 2.640 -17.366 -9.049 1.00 21.04 C ATOM 70 O ARG A 5 3.619 -17.665 -9.731 1.00 42.24 O ATOM 71 CB ARG A 5 0.704 -16.677 -10.475 1.00 62.23 C ATOM 72 CG ARG A 5 0.597 -17.170 -11.909 1.00 51.42 C ATOM 73 CD ARG A 5 -0.501 -18.211 -12.060 1.00 21.12 C ATOM 74 NE ARG A 5 0.017 -19.572 -11.949 1.00 71.13 N ATOM 75 CZ ARG A 5 -0.726 -20.658 -12.129 1.00 75.21 C ATOM 76 NH1 ARG A 5 -2.013 -20.543 -12.427 1.00 13.20 N ATOM 77 NH2 ARG A 5 -0.183 -21.863 -12.012 1.00 3.24 N ATOM 0 H ARG A 5 -0.496 -17.270 -8.406 1.00 53.35 H new ATOM 0 HA ARG A 5 1.269 -18.698 -10.010 1.00 43.30 H new ATOM 0 HB2 ARG A 5 -0.278 -16.343 -10.140 1.00 62.23 H new ATOM 0 HB3 ARG A 5 1.362 -15.809 -10.446 1.00 62.23 H new ATOM 0 HG2 ARG A 5 0.394 -16.328 -12.570 1.00 51.42 H new ATOM 0 HG3 ARG A 5 1.550 -17.597 -12.220 1.00 51.42 H new ATOM 0 HD2 ARG A 5 -1.262 -18.049 -11.296 1.00 21.12 H new ATOM 0 HD3 ARG A 5 -0.988 -18.086 -13.027 1.00 21.12 H new ATOM 0 HE ARG A 5 1.003 -19.695 -11.721 1.00 71.13 H new ATOM 0 HH11 ARG A 5 -2.435 -19.619 -12.519 1.00 13.20 H new ATOM 0 HH12 ARG A 5 -2.581 -21.379 -12.565 1.00 13.20 H new ATOM 0 HH21 ARG A 5 0.807 -21.956 -11.783 1.00 3.24 H new ATOM 0 HH22 ARG A 5 -0.755 -22.696 -12.151 1.00 3.24 H new ATOM 91 N GLU A 6 2.734 -16.716 -7.893 1.00 12.22 N ATOM 92 CA GLU A 6 4.024 -16.307 -7.350 1.00 12.41 C ATOM 93 C GLU A 6 4.991 -17.486 -7.296 1.00 75.04 C ATOM 94 O GLU A 6 6.202 -17.317 -7.433 1.00 3.34 O ATOM 95 CB GLU A 6 3.848 -15.713 -5.950 1.00 70.25 C ATOM 96 CG GLU A 6 3.538 -16.750 -4.884 1.00 75.32 C ATOM 97 CD GLU A 6 3.222 -16.127 -3.538 1.00 53.15 C ATOM 98 OE1 GLU A 6 3.412 -14.901 -3.394 1.00 51.10 O ATOM 99 OE2 GLU A 6 2.785 -16.864 -2.630 1.00 60.13 O ATOM 0 H GLU A 6 1.933 -16.462 -7.315 1.00 12.22 H new ATOM 0 HA GLU A 6 4.442 -15.547 -8.010 1.00 12.41 H new ATOM 0 HB2 GLU A 6 4.758 -15.181 -5.673 1.00 70.25 H new ATOM 0 HB3 GLU A 6 3.044 -14.978 -5.975 1.00 70.25 H new ATOM 0 HG2 GLU A 6 2.692 -17.356 -5.207 1.00 75.32 H new ATOM 0 HG3 GLU A 6 4.389 -17.422 -4.778 1.00 75.32 H new ATOM 106 N VAL A 7 4.445 -18.682 -7.096 1.00 44.23 N ATOM 107 CA VAL A 7 5.258 -19.890 -7.025 1.00 61.21 C ATOM 108 C VAL A 7 6.208 -19.985 -8.214 1.00 11.42 C ATOM 109 O VAL A 7 7.311 -20.520 -8.100 1.00 73.22 O ATOM 110 CB VAL A 7 4.380 -21.155 -6.982 1.00 24.25 C ATOM 111 CG1 VAL A 7 3.583 -21.297 -8.269 1.00 44.23 C ATOM 112 CG2 VAL A 7 5.236 -22.389 -6.736 1.00 41.30 C ATOM 0 H VAL A 7 3.444 -18.840 -6.980 1.00 44.23 H new ATOM 0 HA VAL A 7 5.838 -19.827 -6.104 1.00 61.21 H new ATOM 0 HB VAL A 7 3.675 -21.059 -6.156 1.00 24.25 H new ATOM 0 HG11 VAL A 7 2.969 -22.196 -8.219 1.00 44.23 H new ATOM 0 HG12 VAL A 7 2.941 -20.426 -8.397 1.00 44.23 H new ATOM 0 HG13 VAL A 7 4.267 -21.371 -9.114 1.00 44.23 H new ATOM 0 HG21 VAL A 7 4.600 -23.274 -6.709 1.00 41.30 H new ATOM 0 HG22 VAL A 7 5.966 -22.492 -7.539 1.00 41.30 H new ATOM 0 HG23 VAL A 7 5.757 -22.287 -5.784 1.00 41.30 H new ATOM 122 N PHE A 8 5.773 -19.460 -9.355 1.00 31.22 N ATOM 123 CA PHE A 8 6.584 -19.485 -10.566 1.00 63.52 C ATOM 124 C PHE A 8 7.840 -18.636 -10.397 1.00 44.43 C ATOM 125 O PHE A 8 8.936 -19.045 -10.782 1.00 14.54 O ATOM 126 CB PHE A 8 5.771 -18.982 -11.761 1.00 22.33 C ATOM 127 CG PHE A 8 6.433 -19.234 -13.085 1.00 70.32 C ATOM 128 CD1 PHE A 8 7.085 -18.211 -13.755 1.00 34.31 C ATOM 129 CD2 PHE A 8 6.403 -20.494 -13.661 1.00 30.31 C ATOM 130 CE1 PHE A 8 7.695 -18.440 -14.974 1.00 11.11 C ATOM 131 CE2 PHE A 8 7.012 -20.729 -14.879 1.00 72.02 C ATOM 132 CZ PHE A 8 7.658 -19.700 -15.537 1.00 75.41 C ATOM 0 H PHE A 8 4.863 -19.012 -9.466 1.00 31.22 H new ATOM 0 HA PHE A 8 6.886 -20.516 -10.750 1.00 63.52 H new ATOM 0 HB2 PHE A 8 4.794 -19.465 -11.755 1.00 22.33 H new ATOM 0 HB3 PHE A 8 5.598 -17.912 -11.648 1.00 22.33 H new ATOM 0 HD1 PHE A 8 7.117 -17.223 -13.320 1.00 34.31 H new ATOM 0 HD2 PHE A 8 5.898 -21.302 -13.152 1.00 30.31 H new ATOM 0 HE1 PHE A 8 8.200 -17.634 -15.486 1.00 11.11 H new ATOM 0 HE2 PHE A 8 6.983 -21.716 -15.316 1.00 72.02 H new ATOM 0 HZ PHE A 8 8.133 -19.881 -16.490 1.00 75.41 H new ATOM 142 N ALA A 9 7.672 -17.450 -9.820 1.00 63.32 N ATOM 143 CA ALA A 9 8.791 -16.543 -9.599 1.00 4.02 C ATOM 144 C ALA A 9 9.828 -17.166 -8.670 1.00 62.45 C ATOM 145 O ALA A 9 11.005 -16.810 -8.712 1.00 43.33 O ATOM 146 CB ALA A 9 8.295 -15.223 -9.028 1.00 43.42 C ATOM 0 H ALA A 9 6.772 -17.096 -9.497 1.00 63.32 H new ATOM 0 HA ALA A 9 9.269 -16.355 -10.560 1.00 4.02 H new ATOM 0 HB1 ALA A 9 9.141 -14.555 -8.868 1.00 43.42 H new ATOM 0 HB2 ALA A 9 7.597 -14.763 -9.728 1.00 43.42 H new ATOM 0 HB3 ALA A 9 7.791 -15.404 -8.079 1.00 43.42 H new ATOM 152 N GLN A 10 9.383 -18.098 -7.834 1.00 15.23 N ATOM 153 CA GLN A 10 10.273 -18.769 -6.894 1.00 71.22 C ATOM 154 C GLN A 10 11.486 -19.350 -7.614 1.00 34.12 C ATOM 155 O GLN A 10 12.577 -19.427 -7.050 1.00 3.41 O ATOM 156 CB GLN A 10 9.525 -19.879 -6.154 1.00 15.23 C ATOM 157 CG GLN A 10 10.136 -20.231 -4.807 1.00 73.01 C ATOM 158 CD GLN A 10 9.204 -21.056 -3.941 1.00 41.02 C ATOM 159 OE1 GLN A 10 7.989 -20.855 -3.950 1.00 22.20 O ATOM 160 NE2 GLN A 10 9.769 -21.991 -3.187 1.00 25.20 N ATOM 0 H GLN A 10 8.412 -18.406 -7.788 1.00 15.23 H new ATOM 0 HA GLN A 10 10.621 -18.031 -6.171 1.00 71.22 H new ATOM 0 HB2 GLN A 10 8.490 -19.571 -6.005 1.00 15.23 H new ATOM 0 HB3 GLN A 10 9.505 -20.772 -6.779 1.00 15.23 H new ATOM 0 HG2 GLN A 10 11.062 -20.783 -4.966 1.00 73.01 H new ATOM 0 HG3 GLN A 10 10.398 -19.313 -4.280 1.00 73.01 H new ATOM 0 HE21 GLN A 10 10.780 -22.123 -3.211 1.00 25.20 H new ATOM 0 HE22 GLN A 10 9.192 -22.577 -2.584 1.00 25.20 H new ATOM 169 N VAL A 11 11.287 -19.759 -8.863 1.00 13.11 N ATOM 170 CA VAL A 11 12.364 -20.333 -9.660 1.00 42.53 C ATOM 171 C VAL A 11 13.588 -19.423 -9.666 1.00 32.21 C ATOM 172 O VAL A 11 14.722 -19.890 -9.775 1.00 52.15 O ATOM 173 CB VAL A 11 11.916 -20.581 -11.113 1.00 23.11 C ATOM 174 CG1 VAL A 11 10.683 -21.471 -11.147 1.00 24.32 C ATOM 175 CG2 VAL A 11 11.651 -19.261 -11.821 1.00 72.44 C ATOM 0 H VAL A 11 10.390 -19.703 -9.345 1.00 13.11 H new ATOM 0 HA VAL A 11 12.625 -21.286 -9.200 1.00 42.53 H new ATOM 0 HB VAL A 11 12.720 -21.095 -11.640 1.00 23.11 H new ATOM 0 HG11 VAL A 11 10.381 -21.635 -12.181 1.00 24.32 H new ATOM 0 HG12 VAL A 11 10.912 -22.429 -10.680 1.00 24.32 H new ATOM 0 HG13 VAL A 11 9.870 -20.988 -10.604 1.00 24.32 H new ATOM 0 HG21 VAL A 11 11.336 -19.455 -12.846 1.00 72.44 H new ATOM 0 HG22 VAL A 11 10.865 -18.718 -11.296 1.00 72.44 H new ATOM 0 HG23 VAL A 11 12.562 -18.663 -11.829 1.00 72.44 H new ATOM 185 N LYS A 12 13.351 -18.121 -9.547 1.00 30.24 N ATOM 186 CA LYS A 12 14.433 -17.144 -9.536 1.00 21.12 C ATOM 187 C LYS A 12 15.453 -17.474 -8.451 1.00 2.13 C ATOM 188 O LYS A 12 16.627 -17.122 -8.563 1.00 40.21 O ATOM 189 CB LYS A 12 13.875 -15.736 -9.315 1.00 33.52 C ATOM 190 CG LYS A 12 13.326 -15.095 -10.577 1.00 51.33 C ATOM 191 CD LYS A 12 13.294 -13.580 -10.464 1.00 41.23 C ATOM 192 CE LYS A 12 12.026 -13.099 -9.775 1.00 42.23 C ATOM 193 NZ LYS A 12 10.808 -13.420 -10.569 1.00 13.21 N ATOM 0 H LYS A 12 12.418 -17.718 -9.457 1.00 30.24 H new ATOM 0 HA LYS A 12 14.933 -17.182 -10.504 1.00 21.12 H new ATOM 0 HB2 LYS A 12 13.084 -15.781 -8.567 1.00 33.52 H new ATOM 0 HB3 LYS A 12 14.663 -15.102 -8.908 1.00 33.52 H new ATOM 0 HG2 LYS A 12 13.940 -15.384 -11.430 1.00 51.33 H new ATOM 0 HG3 LYS A 12 12.320 -15.468 -10.768 1.00 51.33 H new ATOM 0 HD2 LYS A 12 14.165 -13.237 -9.906 1.00 41.23 H new ATOM 0 HD3 LYS A 12 13.359 -13.138 -11.458 1.00 41.23 H new ATOM 0 HE2 LYS A 12 11.950 -13.561 -8.791 1.00 42.23 H new ATOM 0 HE3 LYS A 12 12.084 -12.022 -9.618 1.00 42.23 H new ATOM 0 HZ1 LYS A 12 10.020 -12.819 -10.254 1.00 13.21 H new ATOM 0 HZ2 LYS A 12 10.995 -13.246 -11.577 1.00 13.21 H new ATOM 0 HZ3 LYS A 12 10.557 -14.420 -10.431 1.00 13.21 H new ATOM 207 N GLN A 13 14.997 -18.152 -7.403 1.00 22.14 N ATOM 208 CA GLN A 13 15.871 -18.530 -6.298 1.00 45.44 C ATOM 209 C GLN A 13 17.079 -19.312 -6.803 1.00 43.03 C ATOM 210 O GLN A 13 18.214 -19.042 -6.411 1.00 40.31 O ATOM 211 CB GLN A 13 15.102 -19.363 -5.272 1.00 54.05 C ATOM 212 CG GLN A 13 14.234 -18.532 -4.341 1.00 3.20 C ATOM 213 CD GLN A 13 14.968 -18.109 -3.083 1.00 55.44 C ATOM 214 OE1 GLN A 13 15.499 -17.001 -3.004 1.00 12.42 O ATOM 215 NE2 GLN A 13 15.000 -18.991 -2.092 1.00 3.04 N ATOM 0 H GLN A 13 14.028 -18.451 -7.295 1.00 22.14 H new ATOM 0 HA GLN A 13 16.226 -17.617 -5.820 1.00 45.44 H new ATOM 0 HB2 GLN A 13 14.472 -20.081 -5.798 1.00 54.05 H new ATOM 0 HB3 GLN A 13 15.812 -19.937 -4.677 1.00 54.05 H new ATOM 0 HG2 GLN A 13 13.886 -17.645 -4.870 1.00 3.20 H new ATOM 0 HG3 GLN A 13 13.349 -19.106 -4.066 1.00 3.20 H new ATOM 0 HE21 GLN A 13 14.546 -19.898 -2.201 1.00 3.04 H new ATOM 0 HE22 GLN A 13 15.479 -18.762 -1.221 1.00 3.04 H new ATOM 224 N MET A 14 16.827 -20.283 -7.675 1.00 51.21 N ATOM 225 CA MET A 14 17.895 -21.104 -8.234 1.00 54.01 C ATOM 226 C MET A 14 18.717 -21.754 -7.126 1.00 62.12 C ATOM 227 O MET A 14 19.930 -21.559 -7.045 1.00 22.51 O ATOM 228 CB MET A 14 18.802 -20.258 -9.130 1.00 31.24 C ATOM 229 CG MET A 14 18.091 -19.682 -10.344 1.00 24.42 C ATOM 230 SD MET A 14 19.158 -18.616 -11.332 1.00 11.44 S ATOM 231 CE MET A 14 19.177 -17.132 -10.328 1.00 35.43 C ATOM 0 H MET A 14 15.893 -20.520 -8.010 1.00 51.21 H new ATOM 0 HA MET A 14 17.439 -21.892 -8.833 1.00 54.01 H new ATOM 0 HB2 MET A 14 19.220 -19.441 -8.542 1.00 31.24 H new ATOM 0 HB3 MET A 14 19.640 -20.869 -9.466 1.00 31.24 H new ATOM 0 HG2 MET A 14 17.723 -20.498 -10.966 1.00 24.42 H new ATOM 0 HG3 MET A 14 17.221 -19.114 -10.015 1.00 24.42 H new ATOM 0 HE1 MET A 14 20.126 -16.613 -10.463 1.00 35.43 H new ATOM 0 HE2 MET A 14 18.359 -16.478 -10.630 1.00 35.43 H new ATOM 0 HE3 MET A 14 19.057 -17.401 -9.279 1.00 35.43 H new ATOM 241 N TYR A 15 18.050 -22.526 -6.276 1.00 1.04 N ATOM 242 CA TYR A 15 18.719 -23.202 -5.171 1.00 25.41 C ATOM 243 C TYR A 15 18.970 -24.670 -5.503 1.00 22.35 C ATOM 244 O TYR A 15 19.060 -25.515 -4.611 1.00 13.41 O ATOM 245 CB TYR A 15 17.882 -23.092 -3.895 1.00 44.04 C ATOM 246 CG TYR A 15 18.658 -22.574 -2.705 1.00 70.21 C ATOM 247 CD1 TYR A 15 19.928 -23.057 -2.416 1.00 24.12 C ATOM 248 CD2 TYR A 15 18.120 -21.603 -1.869 1.00 63.35 C ATOM 249 CE1 TYR A 15 20.641 -22.588 -1.329 1.00 54.40 C ATOM 250 CE2 TYR A 15 18.826 -21.127 -0.781 1.00 52.05 C ATOM 251 CZ TYR A 15 20.085 -21.622 -0.515 1.00 62.33 C ATOM 252 OH TYR A 15 20.791 -21.151 0.568 1.00 34.44 O ATOM 0 H TYR A 15 17.046 -22.699 -6.331 1.00 1.04 H new ATOM 0 HA TYR A 15 19.680 -22.715 -5.009 1.00 25.41 H new ATOM 0 HB2 TYR A 15 17.035 -22.431 -4.082 1.00 44.04 H new ATOM 0 HB3 TYR A 15 17.473 -24.073 -3.653 1.00 44.04 H new ATOM 0 HD1 TYR A 15 20.366 -23.812 -3.052 1.00 24.12 H new ATOM 0 HD2 TYR A 15 17.133 -21.214 -2.073 1.00 63.35 H new ATOM 0 HE1 TYR A 15 21.627 -22.975 -1.118 1.00 54.40 H new ATOM 0 HE2 TYR A 15 18.394 -20.371 -0.142 1.00 52.05 H new ATOM 0 HH TYR A 15 20.259 -20.474 1.036 1.00 34.44 H new ATOM 262 N LYS A 16 19.083 -24.967 -6.793 1.00 23.54 N ATOM 263 CA LYS A 16 19.326 -26.332 -7.246 1.00 32.15 C ATOM 264 C LYS A 16 20.621 -26.880 -6.654 1.00 13.31 C ATOM 265 O LYS A 16 21.685 -26.784 -7.266 1.00 70.02 O ATOM 266 CB LYS A 16 19.390 -26.380 -8.774 1.00 24.22 C ATOM 267 CG LYS A 16 18.995 -27.726 -9.357 1.00 52.42 C ATOM 268 CD LYS A 16 17.494 -27.947 -9.280 1.00 34.43 C ATOM 269 CE LYS A 16 16.771 -27.277 -10.438 1.00 14.01 C ATOM 270 NZ LYS A 16 15.406 -27.838 -10.639 1.00 61.35 N ATOM 0 H LYS A 16 19.010 -24.281 -7.544 1.00 23.54 H new ATOM 0 HA LYS A 16 18.499 -26.955 -6.903 1.00 32.15 H new ATOM 0 HB2 LYS A 16 18.734 -25.610 -9.181 1.00 24.22 H new ATOM 0 HB3 LYS A 16 20.403 -26.138 -9.095 1.00 24.22 H new ATOM 0 HG2 LYS A 16 19.319 -27.783 -10.396 1.00 52.42 H new ATOM 0 HG3 LYS A 16 19.509 -28.522 -8.818 1.00 52.42 H new ATOM 0 HD2 LYS A 16 17.282 -29.016 -9.287 1.00 34.43 H new ATOM 0 HD3 LYS A 16 17.115 -27.553 -8.337 1.00 34.43 H new ATOM 0 HE2 LYS A 16 16.699 -26.206 -10.250 1.00 14.01 H new ATOM 0 HE3 LYS A 16 17.353 -27.402 -11.351 1.00 14.01 H new ATOM 0 HZ1 LYS A 16 14.946 -27.355 -11.437 1.00 61.35 H new ATOM 0 HZ2 LYS A 16 15.475 -28.855 -10.843 1.00 61.35 H new ATOM 0 HZ3 LYS A 16 14.842 -27.696 -9.777 1.00 61.35 H new ATOM 284 N THR A 17 20.523 -27.456 -5.460 1.00 5.54 N ATOM 285 CA THR A 17 21.687 -28.019 -4.786 1.00 15.23 C ATOM 286 C THR A 17 21.350 -29.353 -4.130 1.00 74.24 C ATOM 287 O THR A 17 21.760 -29.641 -3.006 1.00 32.12 O ATOM 288 CB THR A 17 22.235 -27.058 -3.714 1.00 42.43 C ATOM 289 OG1 THR A 17 23.414 -27.610 -3.118 1.00 31.21 O ATOM 290 CG2 THR A 17 21.192 -26.794 -2.639 1.00 22.24 C ATOM 0 H THR A 17 19.650 -27.545 -4.940 1.00 5.54 H new ATOM 0 HA THR A 17 22.450 -28.174 -5.549 1.00 15.23 H new ATOM 0 HB THR A 17 22.482 -26.113 -4.197 1.00 42.43 H new ATOM 0 HG1 THR A 17 23.218 -28.507 -2.774 1.00 31.21 H new ATOM 0 HG21 THR A 17 21.602 -26.113 -1.893 1.00 22.24 H new ATOM 0 HG22 THR A 17 20.308 -26.346 -3.092 1.00 22.24 H new ATOM 0 HG23 THR A 17 20.917 -27.734 -2.160 1.00 22.24 H new ATOM 298 N PRO A 18 20.585 -30.189 -4.848 1.00 70.51 N ATOM 299 CA PRO A 18 20.177 -31.509 -4.356 1.00 2.31 C ATOM 300 C PRO A 18 21.345 -32.486 -4.280 1.00 5.42 C ATOM 301 O PRO A 18 21.535 -33.314 -5.171 1.00 22.31 O ATOM 302 CB PRO A 18 19.157 -31.976 -5.397 1.00 14.32 C ATOM 303 CG PRO A 18 19.523 -31.244 -6.641 1.00 51.45 C ATOM 304 CD PRO A 18 20.060 -29.912 -6.196 1.00 2.23 C ATOM 0 HA PRO A 18 19.780 -31.461 -3.342 1.00 2.31 H new ATOM 0 HB2 PRO A 18 19.207 -33.055 -5.543 1.00 14.32 H new ATOM 0 HB3 PRO A 18 18.139 -31.743 -5.086 1.00 14.32 H new ATOM 0 HG2 PRO A 18 20.270 -31.795 -7.212 1.00 51.45 H new ATOM 0 HG3 PRO A 18 18.656 -31.118 -7.289 1.00 51.45 H new ATOM 0 HD2 PRO A 18 20.841 -29.550 -6.865 1.00 2.23 H new ATOM 0 HD3 PRO A 18 19.280 -29.151 -6.175 1.00 2.23 H new ATOM 312 N THR A 19 22.127 -32.384 -3.209 1.00 63.03 N ATOM 313 CA THR A 19 23.278 -33.258 -3.017 1.00 74.12 C ATOM 314 C THR A 19 23.477 -33.588 -1.542 1.00 61.25 C ATOM 315 O THR A 19 23.098 -32.811 -0.665 1.00 22.31 O ATOM 316 CB THR A 19 24.567 -32.619 -3.568 1.00 33.25 C ATOM 317 OG1 THR A 19 24.569 -31.213 -3.300 1.00 3.44 O ATOM 318 CG2 THR A 19 24.691 -32.856 -5.065 1.00 41.41 C ATOM 0 H THR A 19 21.984 -31.705 -2.462 1.00 63.03 H new ATOM 0 HA THR A 19 23.073 -34.176 -3.567 1.00 74.12 H new ATOM 0 HB THR A 19 25.419 -33.084 -3.071 1.00 33.25 H new ATOM 0 HG1 THR A 19 25.392 -30.814 -3.652 1.00 3.44 H new ATOM 0 HG21 THR A 19 25.609 -32.396 -5.431 1.00 41.41 H new ATOM 0 HG22 THR A 19 24.718 -33.928 -5.263 1.00 41.41 H new ATOM 0 HG23 THR A 19 23.835 -32.415 -5.575 1.00 41.41 H new ATOM 326 N LEU A 20 24.074 -34.744 -1.275 1.00 64.35 N ATOM 327 CA LEU A 20 24.325 -35.177 0.095 1.00 64.32 C ATOM 328 C LEU A 20 25.643 -35.939 0.192 1.00 23.04 C ATOM 329 O LEU A 20 25.763 -37.060 -0.302 1.00 23.21 O ATOM 330 CB LEU A 20 23.177 -36.057 0.591 1.00 73.31 C ATOM 331 CG LEU A 20 21.782 -35.432 0.540 1.00 21.22 C ATOM 332 CD1 LEU A 20 20.711 -36.507 0.649 1.00 43.42 C ATOM 333 CD2 LEU A 20 21.619 -34.401 1.647 1.00 4.40 C ATOM 0 H LEU A 20 24.393 -35.399 -1.989 1.00 64.35 H new ATOM 0 HA LEU A 20 24.392 -34.289 0.724 1.00 64.32 H new ATOM 0 HB2 LEU A 20 23.165 -36.972 -0.001 1.00 73.31 H new ATOM 0 HB3 LEU A 20 23.386 -36.346 1.621 1.00 73.31 H new ATOM 0 HG LEU A 20 21.666 -34.928 -0.419 1.00 21.22 H new ATOM 0 HD11 LEU A 20 19.725 -36.044 0.611 1.00 43.42 H new ATOM 0 HD12 LEU A 20 20.814 -37.209 -0.179 1.00 43.42 H new ATOM 0 HD13 LEU A 20 20.825 -37.040 1.593 1.00 43.42 H new ATOM 0 HD21 LEU A 20 20.621 -33.967 1.595 1.00 4.40 H new ATOM 0 HD22 LEU A 20 21.756 -34.882 2.615 1.00 4.40 H new ATOM 0 HD23 LEU A 20 22.364 -33.615 1.524 1.00 4.40 H new ATOM 345 N LYS A 21 26.630 -35.324 0.835 1.00 0.42 N ATOM 346 CA LYS A 21 27.939 -35.944 1.002 1.00 41.21 C ATOM 347 C LYS A 21 27.941 -36.899 2.191 1.00 61.31 C ATOM 348 O LYS A 21 28.706 -37.864 2.223 1.00 11.32 O ATOM 349 CB LYS A 21 29.014 -34.871 1.194 1.00 34.22 C ATOM 350 CG LYS A 21 29.346 -34.108 -0.076 1.00 74.04 C ATOM 351 CD LYS A 21 30.735 -33.496 -0.012 1.00 52.23 C ATOM 352 CE LYS A 21 31.302 -33.255 -1.403 1.00 4.02 C ATOM 353 NZ LYS A 21 30.862 -31.947 -1.963 1.00 25.05 N ATOM 0 H LYS A 21 26.548 -34.396 1.249 1.00 0.42 H new ATOM 0 HA LYS A 21 28.161 -36.514 0.100 1.00 41.21 H new ATOM 0 HB2 LYS A 21 28.679 -34.166 1.955 1.00 34.22 H new ATOM 0 HB3 LYS A 21 29.921 -35.341 1.573 1.00 34.22 H new ATOM 0 HG2 LYS A 21 29.283 -34.780 -0.932 1.00 74.04 H new ATOM 0 HG3 LYS A 21 28.608 -33.321 -0.232 1.00 74.04 H new ATOM 0 HD2 LYS A 21 30.694 -32.553 0.534 1.00 52.23 H new ATOM 0 HD3 LYS A 21 31.400 -34.157 0.544 1.00 52.23 H new ATOM 0 HE2 LYS A 21 32.391 -33.284 -1.361 1.00 4.02 H new ATOM 0 HE3 LYS A 21 30.987 -34.059 -2.068 1.00 4.02 H new ATOM 0 HZ1 LYS A 21 31.270 -31.821 -2.911 1.00 25.05 H new ATOM 0 HZ2 LYS A 21 29.824 -31.928 -2.027 1.00 25.05 H new ATOM 0 HZ3 LYS A 21 31.185 -31.177 -1.342 1.00 25.05 H new ATOM 367 N TYR A 22 27.080 -36.626 3.165 1.00 62.12 N ATOM 368 CA TYR A 22 26.984 -37.461 4.356 1.00 34.21 C ATOM 369 C TYR A 22 26.691 -38.911 3.983 1.00 71.23 C ATOM 370 O TYR A 22 27.039 -39.836 4.717 1.00 61.11 O ATOM 371 CB TYR A 22 25.892 -36.932 5.288 1.00 31.50 C ATOM 372 CG TYR A 22 25.683 -37.784 6.520 1.00 74.13 C ATOM 373 CD1 TYR A 22 24.829 -38.880 6.493 1.00 22.43 C ATOM 374 CD2 TYR A 22 26.337 -37.492 7.710 1.00 70.00 C ATOM 375 CE1 TYR A 22 24.634 -39.661 7.616 1.00 22.03 C ATOM 376 CE2 TYR A 22 26.149 -38.268 8.837 1.00 1.14 C ATOM 377 CZ TYR A 22 25.297 -39.351 8.786 1.00 73.13 C ATOM 378 OH TYR A 22 25.106 -40.126 9.907 1.00 52.50 O ATOM 0 H TYR A 22 26.439 -35.833 3.153 1.00 62.12 H new ATOM 0 HA TYR A 22 27.943 -37.425 4.873 1.00 34.21 H new ATOM 0 HB2 TYR A 22 26.149 -35.919 5.597 1.00 31.50 H new ATOM 0 HB3 TYR A 22 24.954 -36.869 4.736 1.00 31.50 H new ATOM 0 HD1 TYR A 22 24.309 -39.125 5.579 1.00 22.43 H new ATOM 0 HD2 TYR A 22 27.004 -36.644 7.755 1.00 70.00 H new ATOM 0 HE1 TYR A 22 23.967 -40.509 7.578 1.00 22.03 H new ATOM 0 HE2 TYR A 22 26.667 -38.028 9.754 1.00 1.14 H new ATOM 0 HH TYR A 22 25.647 -39.773 10.644 1.00 52.50 H new ATOM 388 N PHE A 23 26.049 -39.102 2.835 1.00 53.40 N ATOM 389 CA PHE A 23 25.708 -40.438 2.362 1.00 31.32 C ATOM 390 C PHE A 23 26.562 -40.823 1.158 1.00 72.43 C ATOM 391 O PHE A 23 26.115 -41.554 0.275 1.00 64.34 O ATOM 392 CB PHE A 23 24.225 -40.509 1.994 1.00 74.24 C ATOM 393 CG PHE A 23 23.699 -41.912 1.892 1.00 74.35 C ATOM 394 CD1 PHE A 23 23.556 -42.697 3.025 1.00 51.15 C ATOM 395 CD2 PHE A 23 23.347 -42.447 0.662 1.00 4.14 C ATOM 396 CE1 PHE A 23 23.072 -43.988 2.934 1.00 32.52 C ATOM 397 CE2 PHE A 23 22.862 -43.737 0.566 1.00 64.50 C ATOM 398 CZ PHE A 23 22.726 -44.510 1.703 1.00 14.30 C ATOM 0 H PHE A 23 25.754 -38.348 2.215 1.00 53.40 H new ATOM 0 HA PHE A 23 25.909 -41.144 3.168 1.00 31.32 H new ATOM 0 HB2 PHE A 23 23.647 -39.966 2.742 1.00 74.24 H new ATOM 0 HB3 PHE A 23 24.070 -40.001 1.042 1.00 74.24 H new ATOM 0 HD1 PHE A 23 23.826 -42.295 3.990 1.00 51.15 H new ATOM 0 HD2 PHE A 23 23.453 -41.849 -0.231 1.00 4.14 H new ATOM 0 HE1 PHE A 23 22.964 -44.589 3.825 1.00 32.52 H new ATOM 0 HE2 PHE A 23 22.589 -44.141 -0.398 1.00 64.50 H new ATOM 0 HZ PHE A 23 22.350 -45.520 1.629 1.00 14.30 H new ATOM 408 N GLY A 24 27.794 -40.325 1.130 1.00 41.44 N ATOM 409 CA GLY A 24 28.691 -40.626 0.030 1.00 64.14 C ATOM 410 C GLY A 24 30.043 -41.123 0.503 1.00 32.23 C ATOM 411 O GLY A 24 30.450 -40.854 1.633 1.00 70.34 O ATOM 0 H GLY A 24 28.187 -39.718 1.850 1.00 41.44 H new ATOM 0 HA2 GLY A 24 28.234 -41.380 -0.611 1.00 64.14 H new ATOM 0 HA3 GLY A 24 28.828 -39.732 -0.578 1.00 64.14 H new ATOM 415 N GLY A 25 30.740 -41.853 -0.362 1.00 42.24 N ATOM 416 CA GLY A 25 32.045 -42.379 -0.007 1.00 43.31 C ATOM 417 C GLY A 25 32.025 -43.878 0.215 1.00 65.03 C ATOM 418 O GLY A 25 31.668 -44.348 1.295 1.00 74.42 O ATOM 0 H GLY A 25 30.424 -42.090 -1.303 1.00 42.24 H new ATOM 0 HA2 GLY A 25 32.756 -42.141 -0.798 1.00 43.31 H new ATOM 0 HA3 GLY A 25 32.398 -41.885 0.898 1.00 43.31 H new ATOM 422 N PHE A 26 32.409 -44.631 -0.810 1.00 63.45 N ATOM 423 CA PHE A 26 32.432 -46.087 -0.724 1.00 14.15 C ATOM 424 C PHE A 26 33.864 -46.611 -0.744 1.00 24.14 C ATOM 425 O PHE A 26 34.745 -46.018 -1.365 1.00 72.15 O ATOM 426 CB PHE A 26 31.636 -46.700 -1.878 1.00 31.23 C ATOM 427 CG PHE A 26 32.144 -46.303 -3.234 1.00 3.30 C ATOM 428 CD1 PHE A 26 31.646 -45.179 -3.873 1.00 72.24 C ATOM 429 CD2 PHE A 26 33.120 -47.053 -3.870 1.00 23.12 C ATOM 430 CE1 PHE A 26 32.112 -44.810 -5.121 1.00 74.34 C ATOM 431 CE2 PHE A 26 33.590 -46.689 -5.117 1.00 42.05 C ATOM 432 CZ PHE A 26 33.084 -45.567 -5.745 1.00 24.04 C ATOM 0 H PHE A 26 32.709 -44.257 -1.710 1.00 63.45 H new ATOM 0 HA PHE A 26 31.971 -46.377 0.220 1.00 14.15 H new ATOM 0 HB2 PHE A 26 31.665 -47.786 -1.792 1.00 31.23 H new ATOM 0 HB3 PHE A 26 30.592 -46.400 -1.788 1.00 31.23 H new ATOM 0 HD1 PHE A 26 30.885 -44.584 -3.390 1.00 72.24 H new ATOM 0 HD2 PHE A 26 33.518 -47.932 -3.385 1.00 23.12 H new ATOM 0 HE1 PHE A 26 31.716 -43.931 -5.608 1.00 74.34 H new ATOM 0 HE2 PHE A 26 34.353 -47.281 -5.601 1.00 42.05 H new ATOM 0 HZ PHE A 26 33.448 -45.283 -6.721 1.00 24.04 H new ATOM 442 N ASN A 27 34.090 -47.727 -0.058 1.00 14.14 N ATOM 443 CA ASN A 27 35.415 -48.331 0.005 1.00 65.31 C ATOM 444 C ASN A 27 35.319 -49.854 0.022 1.00 10.25 C ATOM 445 O ASN A 27 35.361 -50.477 1.083 1.00 21.14 O ATOM 446 CB ASN A 27 36.164 -47.842 1.247 1.00 73.15 C ATOM 447 CG ASN A 27 35.856 -46.394 1.574 1.00 15.12 C ATOM 448 OD1 ASN A 27 36.174 -45.490 0.801 1.00 14.24 O ATOM 449 ND2 ASN A 27 35.233 -46.167 2.725 1.00 22.42 N ATOM 0 H ASN A 27 33.372 -48.231 0.462 1.00 14.14 H new ATOM 0 HA ASN A 27 35.966 -48.029 -0.885 1.00 65.31 H new ATOM 0 HB2 ASN A 27 35.898 -48.469 2.098 1.00 73.15 H new ATOM 0 HB3 ASN A 27 37.237 -47.956 1.090 1.00 73.15 H new ATOM 0 HD21 ASN A 27 34.999 -45.213 2.999 1.00 22.42 H new ATOM 0 HD22 ASN A 27 34.988 -46.947 3.335 1.00 22.42 H new ATOM 456 N PHE A 28 35.190 -50.447 -1.160 1.00 11.32 N ATOM 457 CA PHE A 28 35.087 -51.896 -1.281 1.00 21.31 C ATOM 458 C PHE A 28 36.464 -52.548 -1.194 1.00 31.44 C ATOM 459 O PHE A 28 36.590 -53.705 -0.792 1.00 63.35 O ATOM 460 CB PHE A 28 34.415 -52.272 -2.603 1.00 61.51 C ATOM 461 CG PHE A 28 35.276 -52.017 -3.807 1.00 61.20 C ATOM 462 CD1 PHE A 28 36.077 -53.021 -4.328 1.00 1.42 C ATOM 463 CD2 PHE A 28 35.285 -50.773 -4.418 1.00 31.44 C ATOM 464 CE1 PHE A 28 36.870 -52.789 -5.436 1.00 23.11 C ATOM 465 CE2 PHE A 28 36.076 -50.536 -5.526 1.00 73.20 C ATOM 466 CZ PHE A 28 36.870 -51.545 -6.035 1.00 43.20 C ATOM 0 H PHE A 28 35.154 -49.946 -2.048 1.00 11.32 H new ATOM 0 HA PHE A 28 34.478 -52.262 -0.455 1.00 21.31 H new ATOM 0 HB2 PHE A 28 34.145 -53.328 -2.577 1.00 61.51 H new ATOM 0 HB3 PHE A 28 33.488 -51.708 -2.703 1.00 61.51 H new ATOM 0 HD1 PHE A 28 36.082 -53.996 -3.863 1.00 1.42 H new ATOM 0 HD2 PHE A 28 34.667 -49.980 -4.024 1.00 31.44 H new ATOM 0 HE1 PHE A 28 37.489 -53.580 -5.833 1.00 23.11 H new ATOM 0 HE2 PHE A 28 36.073 -49.562 -5.994 1.00 73.20 H new ATOM 0 HZ PHE A 28 37.490 -51.361 -6.900 1.00 43.20 H new ATOM 476 N SER A 29 37.493 -51.797 -1.573 1.00 31.33 N ATOM 477 CA SER A 29 38.860 -52.303 -1.542 1.00 4.42 C ATOM 478 C SER A 29 39.468 -52.140 -0.152 1.00 44.10 C ATOM 479 O SER A 29 40.443 -52.808 0.192 1.00 32.11 O ATOM 480 CB SER A 29 39.720 -51.572 -2.576 1.00 31.25 C ATOM 481 OG SER A 29 41.047 -52.068 -2.577 1.00 63.32 O ATOM 0 H SER A 29 37.406 -50.836 -1.905 1.00 31.33 H new ATOM 0 HA SER A 29 38.834 -53.365 -1.786 1.00 4.42 H new ATOM 0 HB2 SER A 29 39.283 -51.692 -3.567 1.00 31.25 H new ATOM 0 HB3 SER A 29 39.728 -50.504 -2.358 1.00 31.25 H new ATOM 0 HG SER A 29 41.576 -51.586 -3.247 1.00 63.32 H new ATOM 487 N GLN A 30 38.885 -51.247 0.641 1.00 22.13 N ATOM 488 CA GLN A 30 39.370 -50.996 1.993 1.00 14.34 C ATOM 489 C GLN A 30 39.383 -52.281 2.815 1.00 41.24 C ATOM 490 O GLN A 30 40.133 -52.401 3.784 1.00 61.52 O ATOM 491 CB GLN A 30 38.498 -49.945 2.683 1.00 52.10 C ATOM 492 CG GLN A 30 39.135 -48.566 2.736 1.00 54.41 C ATOM 493 CD GLN A 30 39.807 -48.183 1.432 1.00 3.03 C ATOM 494 OE1 GLN A 30 39.330 -48.526 0.350 1.00 0.42 O ATOM 495 NE2 GLN A 30 40.922 -47.469 1.529 1.00 44.53 N ATOM 0 H GLN A 30 38.077 -50.686 0.371 1.00 22.13 H new ATOM 0 HA GLN A 30 40.391 -50.622 1.921 1.00 14.34 H new ATOM 0 HB2 GLN A 30 37.544 -49.876 2.160 1.00 52.10 H new ATOM 0 HB3 GLN A 30 38.281 -50.275 3.699 1.00 52.10 H new ATOM 0 HG2 GLN A 30 38.372 -47.826 2.978 1.00 54.41 H new ATOM 0 HG3 GLN A 30 39.870 -48.540 3.540 1.00 54.41 H new ATOM 0 HE21 GLN A 30 41.281 -47.207 2.447 1.00 44.53 H new ATOM 0 HE22 GLN A 30 41.419 -47.183 0.686 1.00 44.53 H new ATOM 504 N ILE A 31 38.549 -53.237 2.421 1.00 62.41 N ATOM 505 CA ILE A 31 38.466 -54.513 3.120 1.00 23.44 C ATOM 506 C ILE A 31 39.812 -55.232 3.115 1.00 15.41 C ATOM 507 O ILE A 31 40.087 -56.063 3.981 1.00 23.01 O ATOM 508 CB ILE A 31 37.404 -55.433 2.490 1.00 13.02 C ATOM 509 CG1 ILE A 31 37.846 -55.879 1.095 1.00 24.12 C ATOM 510 CG2 ILE A 31 36.060 -54.722 2.423 1.00 4.14 C ATOM 511 CD1 ILE A 31 36.847 -56.779 0.403 1.00 53.21 C ATOM 0 H ILE A 31 37.921 -53.152 1.622 1.00 62.41 H new ATOM 0 HA ILE A 31 38.179 -54.291 4.148 1.00 23.44 H new ATOM 0 HB ILE A 31 37.295 -56.318 3.116 1.00 13.02 H new ATOM 0 HG12 ILE A 31 38.017 -54.997 0.478 1.00 24.12 H new ATOM 0 HG13 ILE A 31 38.799 -56.402 1.175 1.00 24.12 H new ATOM 0 HG21 ILE A 31 35.320 -55.385 1.975 1.00 4.14 H new ATOM 0 HG22 ILE A 31 35.742 -54.450 3.429 1.00 4.14 H new ATOM 0 HG23 ILE A 31 36.155 -53.821 1.816 1.00 4.14 H new ATOM 0 HD11 ILE A 31 37.227 -57.056 -0.581 1.00 53.21 H new ATOM 0 HD12 ILE A 31 36.694 -57.679 0.999 1.00 53.21 H new ATOM 0 HD13 ILE A 31 35.899 -56.252 0.291 1.00 53.21 H new ATOM 523 N LEU A 32 40.647 -54.904 2.135 1.00 34.42 N ATOM 524 CA LEU A 32 41.965 -55.517 2.018 1.00 45.35 C ATOM 525 C LEU A 32 43.033 -54.462 1.741 1.00 34.52 C ATOM 526 O LEU A 32 42.745 -53.360 1.273 1.00 21.55 O ATOM 527 CB LEU A 32 41.966 -56.564 0.902 1.00 12.42 C ATOM 528 CG LEU A 32 41.441 -57.949 1.282 1.00 54.34 C ATOM 529 CD1 LEU A 32 41.339 -58.836 0.051 1.00 33.51 C ATOM 530 CD2 LEU A 32 42.337 -58.590 2.331 1.00 13.33 C ATOM 0 H LEU A 32 40.435 -54.218 1.411 1.00 34.42 H new ATOM 0 HA LEU A 32 42.197 -56.004 2.965 1.00 45.35 H new ATOM 0 HB2 LEU A 32 41.367 -56.185 0.074 1.00 12.42 H new ATOM 0 HB3 LEU A 32 42.986 -56.672 0.533 1.00 12.42 H new ATOM 0 HG LEU A 32 40.444 -57.835 1.707 1.00 54.34 H new ATOM 0 HD11 LEU A 32 40.964 -59.818 0.340 1.00 33.51 H new ATOM 0 HD12 LEU A 32 40.656 -58.384 -0.668 1.00 33.51 H new ATOM 0 HD13 LEU A 32 42.324 -58.943 -0.403 1.00 33.51 H new ATOM 0 HD21 LEU A 32 41.948 -59.575 2.589 1.00 13.33 H new ATOM 0 HD22 LEU A 32 43.347 -58.692 1.934 1.00 13.33 H new ATOM 0 HD23 LEU A 32 42.359 -57.963 3.223 1.00 13.33 H new ATOM 542 N PRO A 33 44.295 -54.807 2.035 1.00 62.03 N ATOM 543 CA PRO A 33 45.431 -53.905 1.823 1.00 24.24 C ATOM 544 C PRO A 33 45.731 -53.687 0.344 1.00 0.13 C ATOM 545 O PRO A 33 45.870 -52.551 -0.110 1.00 23.24 O ATOM 546 CB PRO A 33 46.594 -54.634 2.503 1.00 53.33 C ATOM 547 CG PRO A 33 46.209 -56.073 2.471 1.00 43.33 C ATOM 548 CD PRO A 33 44.711 -56.104 2.595 1.00 50.12 C ATOM 0 HA PRO A 33 45.241 -52.909 2.224 1.00 24.24 H new ATOM 0 HB2 PRO A 33 47.532 -54.463 1.974 1.00 53.33 H new ATOM 0 HB3 PRO A 33 46.736 -54.285 3.526 1.00 53.33 H new ATOM 0 HG2 PRO A 33 46.533 -56.543 1.543 1.00 43.33 H new ATOM 0 HG3 PRO A 33 46.680 -56.621 3.287 1.00 43.33 H new ATOM 0 HD2 PRO A 33 44.279 -56.938 2.041 1.00 50.12 H new ATOM 0 HD3 PRO A 33 44.396 -56.213 3.633 1.00 50.12 H new ATOM 556 N SER A 34 45.829 -54.782 -0.403 1.00 13.11 N ATOM 557 CA SER A 34 46.115 -54.710 -1.831 1.00 2.12 C ATOM 558 C SER A 34 46.204 -56.107 -2.438 1.00 44.41 C ATOM 559 O SER A 34 45.431 -56.478 -3.322 1.00 4.24 O ATOM 560 CB SER A 34 47.422 -53.952 -2.073 1.00 11.13 C ATOM 561 OG SER A 34 48.187 -54.567 -3.095 1.00 54.11 O ATOM 0 H SER A 34 45.715 -55.729 -0.043 1.00 13.11 H new ATOM 0 HA SER A 34 45.298 -54.174 -2.314 1.00 2.12 H new ATOM 0 HB2 SER A 34 47.202 -52.921 -2.350 1.00 11.13 H new ATOM 0 HB3 SER A 34 48.002 -53.918 -1.151 1.00 11.13 H new ATOM 0 HG SER A 34 49.016 -54.063 -3.231 1.00 54.11 H new ATOM 567 N PRO A 35 47.171 -56.901 -1.954 1.00 13.12 N ATOM 568 CA PRO A 35 47.385 -58.269 -2.433 1.00 71.52 C ATOM 569 C PRO A 35 46.263 -59.213 -2.013 1.00 62.11 C ATOM 570 O PRO A 35 45.242 -58.780 -1.477 1.00 23.54 O ATOM 571 CB PRO A 35 48.703 -58.676 -1.769 1.00 14.13 C ATOM 572 CG PRO A 35 48.788 -57.828 -0.547 1.00 32.34 C ATOM 573 CD PRO A 35 48.128 -56.524 -0.900 1.00 62.14 C ATOM 0 HA PRO A 35 47.407 -58.320 -3.522 1.00 71.52 H new ATOM 0 HB2 PRO A 35 48.708 -59.736 -1.516 1.00 14.13 H new ATOM 0 HB3 PRO A 35 49.551 -58.502 -2.432 1.00 14.13 H new ATOM 0 HG2 PRO A 35 48.285 -58.305 0.294 1.00 32.34 H new ATOM 0 HG3 PRO A 35 49.826 -57.673 -0.251 1.00 32.34 H new ATOM 0 HD2 PRO A 35 47.625 -56.082 -0.040 1.00 62.14 H new ATOM 0 HD3 PRO A 35 48.851 -55.791 -1.257 1.00 62.14 H new ATOM 581 N LEU A 36 46.459 -60.504 -2.260 1.00 12.34 N ATOM 582 CA LEU A 36 45.463 -61.510 -1.906 1.00 41.30 C ATOM 583 C LEU A 36 44.123 -61.206 -2.568 1.00 41.24 C ATOM 584 O LEU A 36 43.187 -60.743 -1.917 1.00 12.32 O ATOM 585 CB LEU A 36 45.291 -61.574 -0.387 1.00 44.04 C ATOM 586 CG LEU A 36 46.385 -62.317 0.381 1.00 41.31 C ATOM 587 CD1 LEU A 36 47.676 -61.513 0.382 1.00 64.33 C ATOM 588 CD2 LEU A 36 45.934 -62.606 1.805 1.00 12.22 C ATOM 0 H LEU A 36 47.298 -60.879 -2.704 1.00 12.34 H new ATOM 0 HA LEU A 36 45.815 -62.476 -2.267 1.00 41.30 H new ATOM 0 HB2 LEU A 36 45.234 -60.555 -0.004 1.00 44.04 H new ATOM 0 HB3 LEU A 36 44.335 -62.050 -0.169 1.00 44.04 H new ATOM 0 HG LEU A 36 46.573 -63.267 -0.120 1.00 41.31 H new ATOM 0 HD11 LEU A 36 48.443 -62.057 0.933 1.00 64.33 H new ATOM 0 HD12 LEU A 36 48.008 -61.357 -0.644 1.00 64.33 H new ATOM 0 HD13 LEU A 36 47.503 -60.548 0.858 1.00 64.33 H new ATOM 0 HD21 LEU A 36 46.725 -63.135 2.337 1.00 12.22 H new ATOM 0 HD22 LEU A 36 45.718 -61.668 2.316 1.00 12.22 H new ATOM 0 HD23 LEU A 36 45.035 -63.223 1.784 1.00 12.22 H new ATOM 600 N LYS A 37 44.037 -61.472 -3.867 1.00 44.44 N ATOM 601 CA LYS A 37 42.811 -61.231 -4.619 1.00 4.51 C ATOM 602 C LYS A 37 42.725 -62.153 -5.830 1.00 64.53 C ATOM 603 O LYS A 37 42.835 -61.722 -6.978 1.00 65.43 O ATOM 604 CB LYS A 37 42.745 -59.770 -5.071 1.00 60.14 C ATOM 605 CG LYS A 37 44.023 -59.279 -5.730 1.00 14.43 C ATOM 606 CD LYS A 37 43.742 -58.176 -6.737 1.00 24.00 C ATOM 607 CE LYS A 37 44.892 -58.013 -7.719 1.00 60.35 C ATOM 608 NZ LYS A 37 46.065 -57.343 -7.094 1.00 44.31 N ATOM 0 H LYS A 37 44.803 -61.855 -4.421 1.00 44.44 H new ATOM 0 HA LYS A 37 41.965 -61.441 -3.964 1.00 4.51 H new ATOM 0 HB2 LYS A 37 41.917 -59.652 -5.770 1.00 60.14 H new ATOM 0 HB3 LYS A 37 42.526 -59.141 -4.208 1.00 60.14 H new ATOM 0 HG2 LYS A 37 44.709 -58.911 -4.967 1.00 14.43 H new ATOM 0 HG3 LYS A 37 44.519 -60.111 -6.229 1.00 14.43 H new ATOM 0 HD2 LYS A 37 42.826 -58.404 -7.282 1.00 24.00 H new ATOM 0 HD3 LYS A 37 43.575 -57.236 -6.211 1.00 24.00 H new ATOM 0 HE2 LYS A 37 45.190 -58.992 -8.094 1.00 60.35 H new ATOM 0 HE3 LYS A 37 44.557 -57.431 -8.578 1.00 60.35 H new ATOM 0 HZ1 LYS A 37 46.827 -57.251 -7.796 1.00 44.31 H new ATOM 0 HZ2 LYS A 37 45.787 -56.399 -6.758 1.00 44.31 H new ATOM 0 HZ3 LYS A 37 46.402 -57.911 -6.290 1.00 44.31 H new ATOM 622 N PRO A 38 42.523 -63.454 -5.571 1.00 55.24 N ATOM 623 CA PRO A 38 42.415 -64.464 -6.628 1.00 41.02 C ATOM 624 C PRO A 38 41.129 -64.324 -7.436 1.00 3.51 C ATOM 625 O PRO A 38 40.152 -65.034 -7.197 1.00 23.13 O ATOM 626 CB PRO A 38 42.420 -65.786 -5.857 1.00 24.21 C ATOM 627 CG PRO A 38 41.905 -65.437 -4.503 1.00 63.23 C ATOM 628 CD PRO A 38 42.382 -64.038 -4.227 1.00 51.00 C ATOM 0 HA PRO A 38 43.220 -64.377 -7.358 1.00 41.02 H new ATOM 0 HB2 PRO A 38 41.787 -66.529 -6.342 1.00 24.21 H new ATOM 0 HB3 PRO A 38 43.423 -66.209 -5.802 1.00 24.21 H new ATOM 0 HG2 PRO A 38 40.817 -65.491 -4.473 1.00 63.23 H new ATOM 0 HG3 PRO A 38 42.279 -66.132 -3.752 1.00 63.23 H new ATOM 0 HD2 PRO A 38 41.667 -63.482 -3.620 1.00 51.00 H new ATOM 0 HD3 PRO A 38 43.329 -64.036 -3.687 1.00 51.00 H new ATOM 636 N THR A 39 41.136 -63.402 -8.395 1.00 34.54 N ATOM 637 CA THR A 39 39.970 -63.168 -9.237 1.00 73.42 C ATOM 638 C THR A 39 39.876 -64.209 -10.347 1.00 73.11 C ATOM 639 O THR A 39 38.792 -64.488 -10.861 1.00 22.32 O ATOM 640 CB THR A 39 40.005 -61.764 -9.868 1.00 3.41 C ATOM 641 OG1 THR A 39 38.887 -61.592 -10.745 1.00 15.10 O ATOM 642 CG2 THR A 39 41.299 -61.549 -10.640 1.00 33.54 C ATOM 0 H THR A 39 41.936 -62.806 -8.607 1.00 34.54 H new ATOM 0 HA THR A 39 39.094 -63.247 -8.593 1.00 73.42 H new ATOM 0 HB THR A 39 39.953 -61.029 -9.065 1.00 3.41 H new ATOM 0 HG1 THR A 39 38.916 -60.696 -11.141 1.00 15.10 H new ATOM 0 HG21 THR A 39 41.301 -60.550 -11.077 1.00 33.54 H new ATOM 0 HG22 THR A 39 42.148 -61.651 -9.963 1.00 33.54 H new ATOM 0 HG23 THR A 39 41.377 -62.292 -11.434 1.00 33.54 H new ATOM 650 N LYS A 40 41.018 -64.782 -10.713 1.00 55.42 N ATOM 651 CA LYS A 40 41.065 -65.794 -11.761 1.00 52.04 C ATOM 652 C LYS A 40 40.178 -66.984 -11.409 1.00 53.22 C ATOM 653 O LYS A 40 39.605 -67.625 -12.290 1.00 70.31 O ATOM 654 CB LYS A 40 42.504 -66.265 -11.980 1.00 5.41 C ATOM 655 CG LYS A 40 43.226 -66.630 -10.695 1.00 25.44 C ATOM 656 CD LYS A 40 44.285 -67.694 -10.933 1.00 43.11 C ATOM 657 CE LYS A 40 45.539 -67.102 -11.557 1.00 44.44 C ATOM 658 NZ LYS A 40 46.158 -66.066 -10.684 1.00 52.01 N ATOM 0 H LYS A 40 41.924 -64.562 -10.299 1.00 55.42 H new ATOM 0 HA LYS A 40 40.692 -65.345 -12.681 1.00 52.04 H new ATOM 0 HB2 LYS A 40 42.497 -67.131 -12.642 1.00 5.41 H new ATOM 0 HB3 LYS A 40 43.061 -65.479 -12.489 1.00 5.41 H new ATOM 0 HG2 LYS A 40 43.692 -65.740 -10.273 1.00 25.44 H new ATOM 0 HG3 LYS A 40 42.505 -66.991 -9.961 1.00 25.44 H new ATOM 0 HD2 LYS A 40 44.539 -68.174 -9.988 1.00 43.11 H new ATOM 0 HD3 LYS A 40 43.883 -68.469 -11.586 1.00 43.11 H new ATOM 0 HE2 LYS A 40 46.261 -67.897 -11.745 1.00 44.44 H new ATOM 0 HE3 LYS A 40 45.291 -66.662 -12.523 1.00 44.44 H new ATOM 0 HZ1 LYS A 40 47.169 -65.980 -10.911 1.00 52.01 H new ATOM 0 HZ2 LYS A 40 45.689 -65.152 -10.844 1.00 52.01 H new ATOM 0 HZ3 LYS A 40 46.049 -66.342 -9.687 1.00 52.01 H new ATOM 672 N ARG A 41 40.068 -67.272 -10.116 1.00 53.24 N ATOM 673 CA ARG A 41 39.250 -68.384 -9.648 1.00 71.45 C ATOM 674 C ARG A 41 37.765 -68.079 -9.824 1.00 62.31 C ATOM 675 O ARG A 41 36.952 -68.986 -10.002 1.00 13.13 O ATOM 676 CB ARG A 41 39.550 -68.683 -8.178 1.00 52.53 C ATOM 677 CG ARG A 41 40.625 -69.738 -7.978 1.00 32.21 C ATOM 678 CD ARG A 41 42.018 -69.131 -8.029 1.00 21.24 C ATOM 679 NE ARG A 41 43.050 -70.098 -7.665 1.00 61.52 N ATOM 680 CZ ARG A 41 43.470 -71.064 -8.475 1.00 21.10 C ATOM 681 NH1 ARG A 41 42.949 -71.190 -9.688 1.00 23.13 N ATOM 682 NH2 ARG A 41 44.413 -71.906 -8.072 1.00 44.12 N ATOM 0 H ARG A 41 40.535 -66.751 -9.374 1.00 53.24 H new ATOM 0 HA ARG A 41 39.496 -69.261 -10.247 1.00 71.45 H new ATOM 0 HB2 ARG A 41 39.861 -67.762 -7.685 1.00 52.53 H new ATOM 0 HB3 ARG A 41 38.634 -69.013 -7.689 1.00 52.53 H new ATOM 0 HG2 ARG A 41 40.477 -70.232 -7.018 1.00 32.21 H new ATOM 0 HG3 ARG A 41 40.532 -70.504 -8.748 1.00 32.21 H new ATOM 0 HD2 ARG A 41 42.213 -68.754 -9.033 1.00 21.24 H new ATOM 0 HD3 ARG A 41 42.066 -68.277 -7.353 1.00 21.24 H new ATOM 0 HE ARG A 41 43.471 -70.028 -6.739 1.00 61.52 H new ATOM 0 HH11 ARG A 41 42.224 -70.544 -10.001 1.00 23.13 H new ATOM 0 HH12 ARG A 41 43.273 -71.932 -10.308 1.00 23.13 H new ATOM 0 HH21 ARG A 41 44.816 -71.812 -7.140 1.00 44.12 H new ATOM 0 HH22 ARG A 41 44.735 -72.647 -8.694 1.00 44.12 H new ATOM 696 N SER A 42 37.420 -66.797 -9.773 1.00 13.24 N ATOM 697 CA SER A 42 36.033 -66.372 -9.922 1.00 34.35 C ATOM 698 C SER A 42 35.703 -66.099 -11.386 1.00 15.53 C ATOM 699 O SER A 42 35.134 -65.060 -11.722 1.00 40.42 O ATOM 700 CB SER A 42 35.768 -65.119 -9.084 1.00 71.44 C ATOM 701 OG SER A 42 34.381 -64.946 -8.850 1.00 21.41 O ATOM 0 H SER A 42 38.082 -66.034 -9.630 1.00 13.24 H new ATOM 0 HA SER A 42 35.391 -67.179 -9.568 1.00 34.35 H new ATOM 0 HB2 SER A 42 36.294 -65.196 -8.132 1.00 71.44 H new ATOM 0 HB3 SER A 42 36.165 -64.243 -9.597 1.00 71.44 H new ATOM 0 HG SER A 42 33.909 -64.892 -9.707 1.00 21.41 H new ATOM 707 N PHE A 43 36.064 -67.039 -12.253 1.00 15.42 N ATOM 708 CA PHE A 43 35.807 -66.900 -13.682 1.00 4.24 C ATOM 709 C PHE A 43 34.309 -66.820 -13.960 1.00 63.44 C ATOM 710 O PHE A 43 33.882 -66.223 -14.949 1.00 61.41 O ATOM 711 CB PHE A 43 36.418 -68.075 -14.447 1.00 65.15 C ATOM 712 CG PHE A 43 37.234 -67.656 -15.637 1.00 71.23 C ATOM 713 CD1 PHE A 43 38.523 -68.132 -15.812 1.00 45.31 C ATOM 714 CD2 PHE A 43 36.711 -66.786 -16.581 1.00 31.54 C ATOM 715 CE1 PHE A 43 39.276 -67.749 -16.906 1.00 45.41 C ATOM 716 CE2 PHE A 43 37.459 -66.400 -17.677 1.00 31.23 C ATOM 717 CZ PHE A 43 38.744 -66.881 -17.839 1.00 54.20 C ATOM 0 H PHE A 43 36.535 -67.905 -11.991 1.00 15.42 H new ATOM 0 HA PHE A 43 36.271 -65.974 -14.021 1.00 4.24 H new ATOM 0 HB2 PHE A 43 37.048 -68.651 -13.769 1.00 65.15 H new ATOM 0 HB3 PHE A 43 35.618 -68.737 -14.780 1.00 65.15 H new ATOM 0 HD1 PHE A 43 38.945 -68.810 -15.085 1.00 45.31 H new ATOM 0 HD2 PHE A 43 35.708 -66.406 -16.459 1.00 31.54 H new ATOM 0 HE1 PHE A 43 40.279 -68.128 -17.031 1.00 45.41 H new ATOM 0 HE2 PHE A 43 37.039 -65.723 -18.406 1.00 31.23 H new ATOM 0 HZ PHE A 43 39.331 -66.579 -18.694 1.00 54.20 H new ATOM 727 N ILE A 44 33.517 -67.427 -13.083 1.00 3.24 N ATOM 728 CA ILE A 44 32.068 -67.425 -13.234 1.00 14.45 C ATOM 729 C ILE A 44 31.536 -66.007 -13.414 1.00 12.24 C ATOM 730 O ILE A 44 30.514 -65.795 -14.066 1.00 63.22 O ATOM 731 CB ILE A 44 31.374 -68.071 -12.019 1.00 42.55 C ATOM 732 CG1 ILE A 44 29.877 -68.235 -12.287 1.00 53.54 C ATOM 733 CG2 ILE A 44 31.606 -67.234 -10.770 1.00 52.31 C ATOM 734 CD1 ILE A 44 29.561 -69.288 -13.326 1.00 35.13 C ATOM 0 H ILE A 44 33.855 -67.927 -12.260 1.00 3.24 H new ATOM 0 HA ILE A 44 31.843 -68.011 -14.125 1.00 14.45 H new ATOM 0 HB ILE A 44 31.805 -69.059 -11.856 1.00 42.55 H new ATOM 0 HG12 ILE A 44 29.375 -68.494 -11.355 1.00 53.54 H new ATOM 0 HG13 ILE A 44 29.468 -67.279 -12.614 1.00 53.54 H new ATOM 0 HG21 ILE A 44 31.110 -67.703 -9.920 1.00 52.31 H new ATOM 0 HG22 ILE A 44 32.676 -67.164 -10.572 1.00 52.31 H new ATOM 0 HG23 ILE A 44 31.199 -66.234 -10.921 1.00 52.31 H new ATOM 0 HD11 ILE A 44 28.482 -69.350 -13.465 1.00 35.13 H new ATOM 0 HD12 ILE A 44 30.034 -69.020 -14.271 1.00 35.13 H new ATOM 0 HD13 ILE A 44 29.940 -70.254 -12.992 1.00 35.13 H new ATOM 746 N GLU A 45 32.237 -65.039 -12.832 1.00 23.04 N ATOM 747 CA GLU A 45 31.836 -63.641 -12.929 1.00 55.32 C ATOM 748 C GLU A 45 31.643 -63.230 -14.386 1.00 62.33 C ATOM 749 O GLU A 45 30.809 -62.380 -14.698 1.00 21.00 O ATOM 750 CB GLU A 45 32.880 -62.739 -12.268 1.00 23.52 C ATOM 751 CG GLU A 45 34.164 -62.607 -13.069 1.00 44.41 C ATOM 752 CD GLU A 45 35.290 -61.980 -12.268 1.00 74.25 C ATOM 753 OE1 GLU A 45 36.279 -62.687 -11.983 1.00 35.53 O ATOM 754 OE2 GLU A 45 35.181 -60.784 -11.928 1.00 4.15 O ATOM 0 H GLU A 45 33.085 -65.198 -12.288 1.00 23.04 H new ATOM 0 HA GLU A 45 30.886 -63.526 -12.407 1.00 55.32 H new ATOM 0 HB2 GLU A 45 32.450 -61.748 -12.120 1.00 23.52 H new ATOM 0 HB3 GLU A 45 33.117 -63.135 -11.280 1.00 23.52 H new ATOM 0 HG2 GLU A 45 34.475 -63.593 -13.415 1.00 44.41 H new ATOM 0 HG3 GLU A 45 33.974 -62.003 -13.956 1.00 44.41 H new ATOM 761 N ASP A 46 32.421 -63.840 -15.274 1.00 31.10 N ATOM 762 CA ASP A 46 32.337 -63.539 -16.698 1.00 72.55 C ATOM 763 C ASP A 46 31.312 -64.438 -17.384 1.00 64.30 C ATOM 764 O ASP A 46 30.503 -63.974 -18.188 1.00 72.31 O ATOM 765 CB ASP A 46 33.706 -63.709 -17.359 1.00 72.30 C ATOM 766 CG ASP A 46 34.587 -62.488 -17.187 1.00 50.33 C ATOM 767 OD1 ASP A 46 35.707 -62.481 -17.740 1.00 22.32 O ATOM 768 OD2 ASP A 46 34.156 -61.538 -16.501 1.00 42.31 O ATOM 0 H ASP A 46 33.117 -64.546 -15.032 1.00 31.10 H new ATOM 0 HA ASP A 46 32.016 -62.503 -16.807 1.00 72.55 H new ATOM 0 HB2 ASP A 46 34.207 -64.578 -16.932 1.00 72.30 H new ATOM 0 HB3 ASP A 46 33.571 -63.909 -18.422 1.00 72.30 H new ATOM 773 N LEU A 47 31.354 -65.726 -17.062 1.00 31.41 N ATOM 774 CA LEU A 47 30.430 -66.692 -17.647 1.00 52.44 C ATOM 775 C LEU A 47 28.983 -66.255 -17.440 1.00 20.30 C ATOM 776 O LEU A 47 28.109 -66.561 -18.252 1.00 35.54 O ATOM 777 CB LEU A 47 30.650 -68.075 -17.034 1.00 22.34 C ATOM 778 CG LEU A 47 29.799 -69.208 -17.609 1.00 64.11 C ATOM 779 CD1 LEU A 47 30.340 -69.648 -18.961 1.00 0.12 C ATOM 780 CD2 LEU A 47 29.752 -70.383 -16.643 1.00 63.35 C ATOM 0 H LEU A 47 32.018 -66.126 -16.399 1.00 31.41 H new ATOM 0 HA LEU A 47 30.626 -66.742 -18.718 1.00 52.44 H new ATOM 0 HB2 LEU A 47 31.700 -68.340 -17.153 1.00 22.34 H new ATOM 0 HB3 LEU A 47 30.457 -68.010 -15.963 1.00 22.34 H new ATOM 0 HG LEU A 47 28.783 -68.839 -17.750 1.00 64.11 H new ATOM 0 HD11 LEU A 47 29.722 -70.455 -19.355 1.00 0.12 H new ATOM 0 HD12 LEU A 47 30.321 -68.805 -19.652 1.00 0.12 H new ATOM 0 HD13 LEU A 47 31.365 -69.999 -18.846 1.00 0.12 H new ATOM 0 HD21 LEU A 47 29.142 -71.180 -17.069 1.00 63.35 H new ATOM 0 HD22 LEU A 47 30.763 -70.753 -16.470 1.00 63.35 H new ATOM 0 HD23 LEU A 47 29.317 -70.059 -15.697 1.00 63.35 H new ATOM 792 N LEU A 48 28.738 -65.537 -16.350 1.00 32.13 N ATOM 793 CA LEU A 48 27.397 -65.056 -16.036 1.00 52.22 C ATOM 794 C LEU A 48 26.930 -64.034 -17.068 1.00 71.11 C ATOM 795 O LEU A 48 25.780 -64.060 -17.506 1.00 55.21 O ATOM 796 CB LEU A 48 27.370 -64.435 -14.639 1.00 3.34 C ATOM 797 CG LEU A 48 26.034 -64.505 -13.898 1.00 24.41 C ATOM 798 CD1 LEU A 48 26.222 -64.174 -12.426 1.00 2.24 C ATOM 799 CD2 LEU A 48 25.022 -63.564 -14.534 1.00 33.14 C ATOM 0 H LEU A 48 29.450 -65.275 -15.669 1.00 32.13 H new ATOM 0 HA LEU A 48 26.717 -65.908 -16.061 1.00 52.22 H new ATOM 0 HB2 LEU A 48 28.127 -64.929 -14.029 1.00 3.34 H new ATOM 0 HB3 LEU A 48 27.661 -63.388 -14.723 1.00 3.34 H new ATOM 0 HG LEU A 48 25.651 -65.523 -13.974 1.00 24.41 H new ATOM 0 HD11 LEU A 48 25.261 -64.229 -11.915 1.00 2.24 H new ATOM 0 HD12 LEU A 48 26.913 -64.888 -11.978 1.00 2.24 H new ATOM 0 HD13 LEU A 48 26.628 -63.167 -12.328 1.00 2.24 H new ATOM 0 HD21 LEU A 48 24.077 -63.627 -13.994 1.00 33.14 H new ATOM 0 HD22 LEU A 48 25.398 -62.542 -14.490 1.00 33.14 H new ATOM 0 HD23 LEU A 48 24.865 -63.848 -15.574 1.00 33.14 H new ATOM 811 N PHE A 49 27.831 -63.137 -17.454 1.00 13.40 N ATOM 812 CA PHE A 49 27.512 -62.107 -18.436 1.00 13.53 C ATOM 813 C PHE A 49 27.042 -62.731 -19.746 1.00 72.22 C ATOM 814 O PHE A 49 26.271 -62.129 -20.492 1.00 0.40 O ATOM 815 CB PHE A 49 28.732 -61.219 -18.690 1.00 14.45 C ATOM 816 CG PHE A 49 28.944 -60.175 -17.630 1.00 41.15 C ATOM 817 CD1 PHE A 49 30.169 -60.055 -16.993 1.00 55.33 C ATOM 818 CD2 PHE A 49 27.919 -59.314 -17.272 1.00 21.43 C ATOM 819 CE1 PHE A 49 30.368 -59.095 -16.019 1.00 34.14 C ATOM 820 CE2 PHE A 49 28.112 -58.353 -16.298 1.00 43.31 C ATOM 821 CZ PHE A 49 29.338 -58.244 -15.670 1.00 14.31 C ATOM 0 H PHE A 49 28.788 -63.102 -17.102 1.00 13.40 H new ATOM 0 HA PHE A 49 26.704 -61.496 -18.035 1.00 13.53 H new ATOM 0 HB2 PHE A 49 29.621 -61.846 -18.754 1.00 14.45 H new ATOM 0 HB3 PHE A 49 28.619 -60.727 -19.656 1.00 14.45 H new ATOM 0 HD1 PHE A 49 30.977 -60.719 -17.261 1.00 55.33 H new ATOM 0 HD2 PHE A 49 26.959 -59.395 -17.760 1.00 21.43 H new ATOM 0 HE1 PHE A 49 31.328 -59.010 -15.531 1.00 34.14 H new ATOM 0 HE2 PHE A 49 27.305 -57.688 -16.028 1.00 43.31 H new ATOM 0 HZ PHE A 49 29.490 -57.495 -14.907 1.00 14.31 H new ATOM 831 N ASN A 50 27.513 -63.944 -20.019 1.00 41.54 N ATOM 832 CA ASN A 50 27.143 -64.650 -21.240 1.00 73.41 C ATOM 833 C ASN A 50 25.935 -65.552 -21.002 1.00 2.14 C ATOM 834 O ASN A 50 25.098 -65.734 -21.886 1.00 20.42 O ATOM 835 CB ASN A 50 28.321 -65.482 -21.750 1.00 43.13 C ATOM 836 CG ASN A 50 29.473 -64.619 -22.230 1.00 31.44 C ATOM 837 OD1 ASN A 50 29.380 -63.392 -22.243 1.00 1.14 O ATOM 838 ND2 ASN A 50 30.566 -65.260 -22.627 1.00 22.01 N ATOM 0 H ASN A 50 28.151 -64.458 -19.411 1.00 41.54 H new ATOM 0 HA ASN A 50 26.878 -63.908 -21.993 1.00 73.41 H new ATOM 0 HB2 ASN A 50 28.670 -66.139 -20.954 1.00 43.13 H new ATOM 0 HB3 ASN A 50 27.985 -66.121 -22.566 1.00 43.13 H new ATOM 0 HD21 ASN A 50 31.373 -64.733 -22.960 1.00 22.01 H new ATOM 0 HD22 ASN A 50 30.598 -66.279 -22.599 1.00 22.01 H new ATOM 845 N LYS A 51 25.851 -66.113 -19.800 1.00 62.43 N ATOM 846 CA LYS A 51 24.746 -66.995 -19.443 1.00 10.33 C ATOM 847 C LYS A 51 23.410 -66.269 -19.564 1.00 50.23 C ATOM 848 O LYS A 51 22.400 -66.865 -19.938 1.00 71.01 O ATOM 849 CB LYS A 51 24.926 -67.519 -18.016 1.00 73.03 C ATOM 850 CG LYS A 51 23.843 -68.493 -17.585 1.00 61.45 C ATOM 851 CD LYS A 51 24.193 -69.921 -17.969 1.00 62.31 C ATOM 852 CE LYS A 51 23.615 -70.291 -19.327 1.00 24.45 C ATOM 853 NZ LYS A 51 24.495 -71.240 -20.064 1.00 44.52 N ATOM 0 H LYS A 51 26.535 -65.972 -19.057 1.00 62.43 H new ATOM 0 HA LYS A 51 24.747 -67.836 -20.136 1.00 10.33 H new ATOM 0 HB2 LYS A 51 25.896 -68.009 -17.938 1.00 73.03 H new ATOM 0 HB3 LYS A 51 24.939 -66.675 -17.327 1.00 73.03 H new ATOM 0 HG2 LYS A 51 23.703 -68.429 -16.506 1.00 61.45 H new ATOM 0 HG3 LYS A 51 22.896 -68.213 -18.046 1.00 61.45 H new ATOM 0 HD2 LYS A 51 25.276 -70.038 -17.989 1.00 62.31 H new ATOM 0 HD3 LYS A 51 23.812 -70.606 -17.212 1.00 62.31 H new ATOM 0 HE2 LYS A 51 22.630 -70.738 -19.193 1.00 24.45 H new ATOM 0 HE3 LYS A 51 23.477 -69.388 -19.921 1.00 24.45 H new ATOM 0 HZ1 LYS A 51 24.067 -71.468 -20.984 1.00 44.52 H new ATOM 0 HZ2 LYS A 51 25.427 -70.804 -20.214 1.00 44.52 H new ATOM 0 HZ3 LYS A 51 24.607 -72.112 -19.509 1.00 44.52 H new ATOM 867 N VAL A 52 23.412 -64.978 -19.248 1.00 1.25 N ATOM 868 CA VAL A 52 22.201 -64.170 -19.324 1.00 13.01 C ATOM 869 C VAL A 52 21.780 -63.946 -20.772 1.00 34.40 C ATOM 870 O VAL A 52 20.592 -63.825 -21.074 1.00 12.33 O ATOM 871 CB VAL A 52 22.393 -62.803 -18.640 1.00 64.40 C ATOM 872 CG1 VAL A 52 22.775 -62.986 -17.179 1.00 30.30 C ATOM 873 CG2 VAL A 52 23.443 -61.984 -19.375 1.00 41.41 C ATOM 0 H VAL A 52 24.239 -64.469 -18.937 1.00 1.25 H new ATOM 0 HA VAL A 52 21.420 -64.722 -18.802 1.00 13.01 H new ATOM 0 HB VAL A 52 21.448 -62.260 -18.678 1.00 64.40 H new ATOM 0 HG11 VAL A 52 22.906 -62.010 -16.712 1.00 30.30 H new ATOM 0 HG12 VAL A 52 21.986 -63.532 -16.662 1.00 30.30 H new ATOM 0 HG13 VAL A 52 23.707 -63.548 -17.114 1.00 30.30 H new ATOM 0 HG21 VAL A 52 23.566 -61.021 -18.879 1.00 41.41 H new ATOM 0 HG22 VAL A 52 24.392 -62.520 -19.369 1.00 41.41 H new ATOM 0 HG23 VAL A 52 23.124 -61.823 -20.405 1.00 41.41 H new ATOM 883 N THR A 53 22.762 -63.894 -21.667 1.00 15.32 N ATOM 884 CA THR A 53 22.494 -63.684 -23.084 1.00 33.21 C ATOM 885 C THR A 53 21.617 -64.796 -23.648 1.00 70.41 C ATOM 886 O THR A 53 20.817 -64.570 -24.557 1.00 44.13 O ATOM 887 CB THR A 53 23.799 -63.613 -23.898 1.00 4.51 C ATOM 888 OG1 THR A 53 24.643 -62.578 -23.380 1.00 42.22 O ATOM 889 CG2 THR A 53 23.507 -63.348 -25.367 1.00 64.12 C ATOM 0 H THR A 53 23.750 -63.995 -21.435 1.00 15.32 H new ATOM 0 HA THR A 53 21.969 -62.732 -23.169 1.00 33.21 H new ATOM 0 HB THR A 53 24.307 -64.573 -23.813 1.00 4.51 H new ATOM 0 HG1 THR A 53 25.472 -62.540 -23.902 1.00 42.22 H new ATOM 0 HG21 THR A 53 24.444 -63.302 -25.922 1.00 64.12 H new ATOM 0 HG22 THR A 53 22.888 -64.152 -25.766 1.00 64.12 H new ATOM 0 HG23 THR A 53 22.979 -62.400 -25.468 1.00 64.12 H new ATOM 897 N LEU A 54 21.771 -65.998 -23.104 1.00 31.24 N ATOM 898 CA LEU A 54 20.992 -67.147 -23.552 1.00 71.05 C ATOM 899 C LEU A 54 19.714 -67.292 -22.733 1.00 33.02 C ATOM 900 O LEU A 54 18.705 -67.798 -23.222 1.00 74.35 O ATOM 901 CB LEU A 54 21.825 -68.425 -23.449 1.00 25.42 C ATOM 902 CG LEU A 54 22.662 -68.783 -24.678 1.00 2.52 C ATOM 903 CD1 LEU A 54 21.765 -69.039 -25.879 1.00 13.44 C ATOM 904 CD2 LEU A 54 23.661 -67.676 -24.983 1.00 3.12 C ATOM 0 H LEU A 54 22.429 -66.202 -22.352 1.00 31.24 H new ATOM 0 HA LEU A 54 20.717 -66.983 -24.594 1.00 71.05 H new ATOM 0 HB2 LEU A 54 22.494 -68.330 -22.594 1.00 25.42 H new ATOM 0 HB3 LEU A 54 21.153 -69.257 -23.237 1.00 25.42 H new ATOM 0 HG LEU A 54 23.216 -69.697 -24.463 1.00 2.52 H new ATOM 0 HD11 LEU A 54 22.378 -69.292 -26.744 1.00 13.44 H new ATOM 0 HD12 LEU A 54 21.089 -69.865 -25.659 1.00 13.44 H new ATOM 0 HD13 LEU A 54 21.184 -68.143 -26.096 1.00 13.44 H new ATOM 0 HD21 LEU A 54 24.248 -67.947 -25.860 1.00 3.12 H new ATOM 0 HD22 LEU A 54 23.126 -66.747 -25.178 1.00 3.12 H new ATOM 0 HD23 LEU A 54 24.325 -67.540 -24.130 1.00 3.12 H new ATOM 916 N ALA A 55 19.764 -66.842 -21.483 1.00 70.12 N ATOM 917 CA ALA A 55 18.609 -66.918 -20.597 1.00 42.20 C ATOM 918 C ALA A 55 17.470 -66.039 -21.103 1.00 61.53 C ATOM 919 O ALA A 55 16.300 -66.306 -20.830 1.00 13.42 O ATOM 920 CB ALA A 55 19.001 -66.514 -19.183 1.00 64.04 C ATOM 0 H ALA A 55 20.592 -66.421 -21.061 1.00 70.12 H new ATOM 0 HA ALA A 55 18.259 -67.950 -20.585 1.00 42.20 H new ATOM 0 HB1 ALA A 55 18.129 -66.575 -18.532 1.00 64.04 H new ATOM 0 HB2 ALA A 55 19.777 -67.185 -18.815 1.00 64.04 H new ATOM 0 HB3 ALA A 55 19.379 -65.492 -19.188 1.00 64.04 H new ATOM 926 N ASP A 56 17.820 -64.992 -21.842 1.00 23.14 N ATOM 927 CA ASP A 56 16.827 -64.074 -22.387 1.00 33.34 C ATOM 928 C ASP A 56 16.032 -64.737 -23.508 1.00 3.31 C ATOM 929 O ASP A 56 14.878 -64.388 -23.754 1.00 43.33 O ATOM 930 CB ASP A 56 17.504 -62.805 -22.906 1.00 21.04 C ATOM 931 CG ASP A 56 16.561 -61.619 -22.941 1.00 50.40 C ATOM 932 OD1 ASP A 56 15.789 -61.503 -23.916 1.00 51.30 O ATOM 933 OD2 ASP A 56 16.594 -60.806 -21.993 1.00 63.34 O ATOM 0 H ASP A 56 18.784 -64.758 -22.077 1.00 23.14 H new ATOM 0 HA ASP A 56 16.138 -63.806 -21.586 1.00 33.34 H new ATOM 0 HB2 ASP A 56 18.359 -62.567 -22.272 1.00 21.04 H new ATOM 0 HB3 ASP A 56 17.891 -62.987 -23.908 1.00 21.04 H new ATOM 938 N ALA A 57 16.659 -65.694 -24.185 1.00 10.52 N ATOM 939 CA ALA A 57 16.010 -66.405 -25.279 1.00 65.21 C ATOM 940 C ALA A 57 14.844 -67.246 -24.772 1.00 72.11 C ATOM 941 O ALA A 57 13.908 -67.540 -25.515 1.00 44.32 O ATOM 942 CB ALA A 57 17.018 -67.282 -26.009 1.00 14.32 C ATOM 0 H ALA A 57 17.615 -65.994 -23.995 1.00 10.52 H new ATOM 0 HA ALA A 57 15.615 -65.666 -25.976 1.00 65.21 H new ATOM 0 HB1 ALA A 57 16.520 -67.808 -26.824 1.00 14.32 H new ATOM 0 HB2 ALA A 57 17.817 -66.660 -26.413 1.00 14.32 H new ATOM 0 HB3 ALA A 57 17.440 -68.008 -25.314 1.00 14.32 H new ATOM 948 N GLY A 58 14.906 -67.632 -23.501 1.00 44.31 N ATOM 949 CA GLY A 58 13.849 -68.436 -22.917 1.00 61.21 C ATOM 950 C GLY A 58 12.519 -67.710 -22.883 1.00 42.23 C ATOM 951 O GLY A 58 11.463 -68.337 -22.797 1.00 41.30 O ATOM 0 H GLY A 58 15.670 -67.402 -22.865 1.00 44.31 H new ATOM 0 HA2 GLY A 58 13.741 -69.359 -23.488 1.00 61.21 H new ATOM 0 HA3 GLY A 58 14.131 -68.719 -21.903 1.00 61.21 H new ATOM 955 N PHE A 59 12.569 -66.383 -22.950 1.00 24.52 N ATOM 956 CA PHE A 59 11.359 -65.570 -22.924 1.00 21.44 C ATOM 957 C PHE A 59 10.468 -65.883 -24.122 1.00 34.42 C ATOM 958 O PHE A 59 9.242 -65.825 -24.029 1.00 31.44 O ATOM 959 CB PHE A 59 11.719 -64.083 -22.916 1.00 35.11 C ATOM 960 CG PHE A 59 12.294 -63.612 -21.611 1.00 23.41 C ATOM 961 CD1 PHE A 59 11.691 -63.951 -20.410 1.00 43.22 C ATOM 962 CD2 PHE A 59 13.438 -62.831 -21.585 1.00 42.10 C ATOM 963 CE1 PHE A 59 12.219 -63.520 -19.208 1.00 12.55 C ATOM 964 CE2 PHE A 59 13.970 -62.397 -20.386 1.00 24.25 C ATOM 965 CZ PHE A 59 13.359 -62.741 -19.195 1.00 43.24 C ATOM 0 H PHE A 59 13.435 -65.848 -23.023 1.00 24.52 H new ATOM 0 HA PHE A 59 10.810 -65.809 -22.013 1.00 21.44 H new ATOM 0 HB2 PHE A 59 12.437 -63.887 -23.712 1.00 35.11 H new ATOM 0 HB3 PHE A 59 10.826 -63.500 -23.142 1.00 35.11 H new ATOM 0 HD1 PHE A 59 10.798 -64.559 -20.414 1.00 43.22 H new ATOM 0 HD2 PHE A 59 13.919 -62.558 -22.513 1.00 42.10 H new ATOM 0 HE1 PHE A 59 11.740 -63.792 -18.279 1.00 12.55 H new ATOM 0 HE2 PHE A 59 14.863 -61.789 -20.379 1.00 24.25 H new ATOM 0 HZ PHE A 59 13.772 -62.401 -18.257 1.00 43.24 H new ATOM 975 N MET A 60 11.093 -66.215 -25.247 1.00 1.34 N ATOM 976 CA MET A 60 10.357 -66.538 -26.463 1.00 52.43 C ATOM 977 C MET A 60 9.786 -67.951 -26.395 1.00 5.42 C ATOM 978 O MET A 60 8.719 -68.227 -26.941 1.00 75.54 O ATOM 979 CB MET A 60 11.266 -66.401 -27.686 1.00 53.44 C ATOM 980 CG MET A 60 11.440 -64.966 -28.156 1.00 4.50 C ATOM 981 SD MET A 60 12.014 -64.858 -29.862 1.00 1.10 S ATOM 982 CE MET A 60 11.082 -63.444 -30.444 1.00 51.31 C ATOM 0 H MET A 60 12.107 -66.267 -25.341 1.00 1.34 H new ATOM 0 HA MET A 60 9.529 -65.835 -26.554 1.00 52.43 H new ATOM 0 HB2 MET A 60 12.245 -66.818 -27.450 1.00 53.44 H new ATOM 0 HB3 MET A 60 10.855 -66.995 -28.502 1.00 53.44 H new ATOM 0 HG2 MET A 60 10.490 -64.440 -28.062 1.00 4.50 H new ATOM 0 HG3 MET A 60 12.151 -64.458 -27.505 1.00 4.50 H new ATOM 0 HE1 MET A 60 11.329 -63.250 -31.488 1.00 51.31 H new ATOM 0 HE2 MET A 60 10.015 -63.650 -30.355 1.00 51.31 H new ATOM 0 HE3 MET A 60 11.334 -62.570 -29.843 1.00 51.31 H new ATOM 992 N LYS A 61 10.505 -68.842 -25.720 1.00 41.14 N ATOM 993 CA LYS A 61 10.071 -70.227 -25.579 1.00 52.42 C ATOM 994 C LYS A 61 8.938 -70.341 -24.564 1.00 50.41 C ATOM 995 O LYS A 61 8.103 -71.240 -24.652 1.00 54.13 O ATOM 996 CB LYS A 61 11.245 -71.110 -25.150 1.00 52.35 C ATOM 997 CG LYS A 61 11.094 -72.564 -25.562 1.00 41.10 C ATOM 998 CD LYS A 61 11.703 -72.822 -26.930 1.00 74.31 C ATOM 999 CE LYS A 61 10.716 -72.515 -28.046 1.00 73.51 C ATOM 1000 NZ LYS A 61 11.091 -73.190 -29.320 1.00 3.24 N ATOM 0 H LYS A 61 11.391 -68.629 -25.262 1.00 41.14 H new ATOM 0 HA LYS A 61 9.704 -70.567 -26.547 1.00 52.42 H new ATOM 0 HB2 LYS A 61 12.164 -70.713 -25.581 1.00 52.35 H new ATOM 0 HB3 LYS A 61 11.352 -71.057 -24.067 1.00 52.35 H new ATOM 0 HG2 LYS A 61 11.574 -73.204 -24.822 1.00 41.10 H new ATOM 0 HG3 LYS A 61 10.037 -72.831 -25.577 1.00 41.10 H new ATOM 0 HD2 LYS A 61 12.596 -72.209 -27.054 1.00 74.31 H new ATOM 0 HD3 LYS A 61 12.019 -73.863 -26.998 1.00 74.31 H new ATOM 0 HE2 LYS A 61 9.718 -72.834 -27.746 1.00 73.51 H new ATOM 0 HE3 LYS A 61 10.672 -71.438 -28.205 1.00 73.51 H new ATOM 0 HZ1 LYS A 61 10.394 -72.956 -30.055 1.00 3.24 H new ATOM 0 HZ2 LYS A 61 12.033 -72.867 -29.620 1.00 3.24 H new ATOM 0 HZ3 LYS A 61 11.109 -74.220 -29.175 1.00 3.24 H new ATOM 1014 N GLN A 62 8.916 -69.423 -23.603 1.00 22.12 N ATOM 1015 CA GLN A 62 7.885 -69.422 -22.572 1.00 52.51 C ATOM 1016 C GLN A 62 6.497 -69.289 -23.191 1.00 1.22 C ATOM 1017 O GLN A 62 5.545 -69.931 -22.748 1.00 31.34 O ATOM 1018 CB GLN A 62 8.126 -68.281 -21.582 1.00 33.15 C ATOM 1019 CG GLN A 62 9.108 -68.633 -20.476 1.00 11.01 C ATOM 1020 CD GLN A 62 8.455 -69.384 -19.332 1.00 52.22 C ATOM 1021 OE1 GLN A 62 7.230 -69.487 -19.261 1.00 52.41 O ATOM 1022 NE2 GLN A 62 9.271 -69.914 -18.429 1.00 1.21 N ATOM 0 H GLN A 62 9.600 -68.671 -23.517 1.00 22.12 H new ATOM 0 HA GLN A 62 7.937 -70.372 -22.040 1.00 52.51 H new ATOM 0 HB2 GLN A 62 8.499 -67.413 -22.125 1.00 33.15 H new ATOM 0 HB3 GLN A 62 7.175 -67.993 -21.134 1.00 33.15 H new ATOM 0 HG2 GLN A 62 9.914 -69.239 -20.890 1.00 11.01 H new ATOM 0 HG3 GLN A 62 9.561 -67.719 -20.093 1.00 11.01 H new ATOM 0 HE21 GLN A 62 10.280 -69.804 -18.527 1.00 1.21 H new ATOM 0 HE22 GLN A 62 8.889 -70.431 -17.637 1.00 1.21 H new ATOM 1031 N TYR A 63 6.390 -68.452 -24.216 1.00 51.54 N ATOM 1032 CA TYR A 63 5.118 -68.232 -24.894 1.00 73.33 C ATOM 1033 C TYR A 63 4.650 -69.502 -25.599 1.00 20.11 C ATOM 1034 O TYR A 63 3.468 -69.842 -25.571 1.00 20.03 O ATOM 1035 CB TYR A 63 5.245 -67.092 -25.906 1.00 13.24 C ATOM 1036 CG TYR A 63 3.919 -66.632 -26.469 1.00 42.13 C ATOM 1037 CD1 TYR A 63 3.235 -65.563 -25.904 1.00 11.04 C ATOM 1038 CD2 TYR A 63 3.351 -67.267 -27.567 1.00 15.45 C ATOM 1039 CE1 TYR A 63 2.023 -65.140 -26.415 1.00 2.34 C ATOM 1040 CE2 TYR A 63 2.140 -66.849 -28.085 1.00 61.21 C ATOM 1041 CZ TYR A 63 1.480 -65.786 -27.506 1.00 3.44 C ATOM 1042 OH TYR A 63 0.274 -65.368 -28.018 1.00 54.34 O ATOM 0 H TYR A 63 7.169 -67.914 -24.596 1.00 51.54 H new ATOM 0 HA TYR A 63 4.377 -67.960 -24.142 1.00 73.33 H new ATOM 0 HB2 TYR A 63 5.740 -66.247 -25.428 1.00 13.24 H new ATOM 0 HB3 TYR A 63 5.886 -67.415 -26.726 1.00 13.24 H new ATOM 0 HD1 TYR A 63 3.658 -65.054 -25.051 1.00 11.04 H new ATOM 0 HD2 TYR A 63 3.864 -68.101 -28.023 1.00 15.45 H new ATOM 0 HE1 TYR A 63 1.504 -64.308 -25.963 1.00 2.34 H new ATOM 0 HE2 TYR A 63 1.713 -67.353 -28.939 1.00 61.21 H new ATOM 0 HH TYR A 63 0.033 -65.928 -28.786 1.00 54.34 H new ATOM 1052 N GLY A 64 5.589 -70.200 -26.231 1.00 74.41 N ATOM 1053 CA GLY A 64 5.255 -71.425 -26.934 1.00 73.21 C ATOM 1054 C GLY A 64 5.746 -72.662 -26.209 1.00 31.31 C ATOM 1055 O GLY A 64 5.784 -72.694 -24.979 1.00 75.24 O ATOM 0 H GLY A 64 6.574 -69.939 -26.269 1.00 74.41 H new ATOM 0 HA2 GLY A 64 4.174 -71.486 -27.058 1.00 73.21 H new ATOM 0 HA3 GLY A 64 5.690 -71.397 -27.933 1.00 73.21 H new ATOM 1059 N GLU A 65 6.122 -73.684 -26.972 1.00 54.11 N ATOM 1060 CA GLU A 65 6.610 -74.930 -26.393 1.00 41.12 C ATOM 1061 C GLU A 65 8.115 -75.073 -26.600 1.00 3.50 C ATOM 1062 O GLU A 65 8.590 -75.162 -27.732 1.00 3.25 O ATOM 1063 CB GLU A 65 5.884 -76.125 -27.013 1.00 34.52 C ATOM 1064 CG GLU A 65 4.551 -76.436 -26.353 1.00 33.40 C ATOM 1065 CD GLU A 65 3.737 -77.451 -27.132 1.00 74.12 C ATOM 1066 OE1 GLU A 65 3.219 -78.401 -26.508 1.00 22.01 O ATOM 1067 OE2 GLU A 65 3.617 -77.296 -28.365 1.00 41.34 O ATOM 0 H GLU A 65 6.098 -73.673 -27.992 1.00 54.11 H new ATOM 0 HA GLU A 65 6.408 -74.907 -25.322 1.00 41.12 H new ATOM 0 HB2 GLU A 65 5.719 -75.929 -28.072 1.00 34.52 H new ATOM 0 HB3 GLU A 65 6.526 -77.003 -26.948 1.00 34.52 H new ATOM 0 HG2 GLU A 65 4.728 -76.814 -25.346 1.00 33.40 H new ATOM 0 HG3 GLU A 65 3.976 -75.515 -26.252 1.00 33.40 H new TER 1074 GLU A 65