USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 ASN : amide:sc= 0 X(o=0,f=0.00016) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.114) USER MOD Single : A 3 ASN : amide:sc= -0.0652 K(o=-0.065,f=-1.4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 6 THR OG1 : rot -160:sc= -1.74! USER MOD Single : A 9 THR OG1 : rot -114:sc= 0.555 USER MOD Single : A 10 GLN : amide:sc= -2.69! K(o=-2.7!,f=-0.85) USER MOD Single : A 14 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.9!) USER MOD Single : A 18 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.9!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 98:sc= 1.22 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.38) USER MOD Single : A 36 THR OG1 : rot 11:sc= 1.45 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.929 -25.861 -8.523 1.00 0.00 N ATOM 2 CA LYS A 1 -6.592 -26.101 -7.210 1.00 0.00 C ATOM 3 C LYS A 1 -5.638 -25.748 -6.066 1.00 0.00 C ATOM 4 O LYS A 1 -4.464 -26.060 -6.106 1.00 0.00 O ATOM 5 CB LYS A 1 -6.918 -27.594 -7.199 1.00 0.00 C ATOM 6 CG LYS A 1 -8.250 -27.821 -6.483 1.00 0.00 C ATOM 7 CD LYS A 1 -8.758 -29.233 -6.783 1.00 0.00 C ATOM 8 CE LYS A 1 -9.737 -29.185 -7.959 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.027 -28.731 -7.367 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.585 -26.104 -9.293 1.00 0.00 H new ATOM 0 H2 LYS A 1 -5.662 -24.859 -8.599 1.00 0.00 H new ATOM 0 H3 LYS A 1 -5.077 -26.453 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.485 -25.490 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.973 -27.972 -8.220 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.124 -28.147 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.124 -27.689 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.982 -27.083 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.921 -29.889 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -9.250 -29.648 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.393 -28.497 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.840 -30.164 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.751 -29.464 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.901 -28.561 -6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.331 -27.851 -7.830 1.00 0.00 H new ATOM 25 N CYS A 2 -6.131 -25.095 -5.047 1.00 0.00 N ATOM 26 CA CYS A 2 -5.254 -24.721 -3.905 1.00 0.00 C ATOM 27 C CYS A 2 -5.673 -25.500 -2.651 1.00 0.00 C ATOM 28 O CYS A 2 -5.597 -26.712 -2.608 1.00 0.00 O ATOM 29 CB CYS A 2 -5.490 -23.225 -3.714 1.00 0.00 C ATOM 30 SG CYS A 2 -5.368 -22.368 -5.302 1.00 0.00 S ATOM 0 H CYS A 2 -7.105 -24.805 -4.958 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.204 -24.949 -4.085 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -6.474 -23.057 -3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.757 -22.820 -3.016 1.00 0.00 H new ATOM 35 N ASN A 3 -6.119 -24.813 -1.630 1.00 0.00 N ATOM 36 CA ASN A 3 -6.545 -25.507 -0.386 1.00 0.00 C ATOM 37 C ASN A 3 -7.413 -24.574 0.469 1.00 0.00 C ATOM 38 O ASN A 3 -7.603 -24.799 1.648 1.00 0.00 O ATOM 39 CB ASN A 3 -5.240 -25.842 0.340 1.00 0.00 C ATOM 40 CG ASN A 3 -5.422 -27.119 1.160 1.00 0.00 C ATOM 41 OD1 ASN A 3 -6.532 -27.526 1.437 1.00 0.00 O ATOM 42 ND2 ASN A 3 -4.367 -27.774 1.562 1.00 0.00 N ATOM 0 H ASN A 3 -6.205 -23.797 -1.608 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.141 -26.397 -0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.434 -25.973 -0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.953 -25.017 0.992 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.475 -28.628 2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -3.435 -27.432 1.329 1.00 0.00 H new ATOM 49 N THR A 4 -7.940 -23.523 -0.110 1.00 0.00 N ATOM 50 CA THR A 4 -8.781 -22.584 0.666 1.00 0.00 C ATOM 51 C THR A 4 -7.915 -21.764 1.594 1.00 0.00 C ATOM 52 O THR A 4 -7.512 -20.677 1.250 1.00 0.00 O ATOM 53 CB THR A 4 -9.803 -23.447 1.418 1.00 0.00 C ATOM 54 OG1 THR A 4 -10.097 -24.605 0.649 1.00 0.00 O ATOM 55 CG2 THR A 4 -11.085 -22.643 1.639 1.00 0.00 C ATOM 0 H THR A 4 -7.818 -23.281 -1.093 1.00 0.00 H new ATOM 0 HA THR A 4 -9.302 -21.867 0.031 1.00 0.00 H new ATOM 0 HB THR A 4 -9.391 -23.744 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.748 -25.159 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.811 -23.256 2.173 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.860 -21.753 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.499 -22.347 0.675 1.00 0.00 H new ATOM 63 N ALA A 5 -7.575 -22.259 2.742 1.00 0.00 N ATOM 64 CA ALA A 5 -6.695 -21.457 3.625 1.00 0.00 C ATOM 65 C ALA A 5 -5.553 -20.873 2.784 1.00 0.00 C ATOM 66 O ALA A 5 -4.960 -19.870 3.130 1.00 0.00 O ATOM 67 CB ALA A 5 -6.161 -22.448 4.658 1.00 0.00 C ATOM 0 H ALA A 5 -7.861 -23.168 3.105 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.210 -20.625 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.499 -21.929 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.994 -22.883 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.608 -23.239 4.151 1.00 0.00 H new ATOM 73 N THR A 6 -5.268 -21.480 1.652 1.00 0.00 N ATOM 74 CA THR A 6 -4.177 -20.955 0.780 1.00 0.00 C ATOM 75 C THR A 6 -4.727 -19.959 -0.245 1.00 0.00 C ATOM 76 O THR A 6 -4.550 -18.765 -0.112 1.00 0.00 O ATOM 77 CB THR A 6 -3.580 -22.185 0.088 1.00 0.00 C ATOM 78 OG1 THR A 6 -3.699 -23.316 0.943 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.103 -21.922 -0.214 1.00 0.00 C ATOM 0 H THR A 6 -5.744 -22.311 1.301 1.00 0.00 H new ATOM 0 HA THR A 6 -3.425 -20.414 1.355 1.00 0.00 H new ATOM 0 HB THR A 6 -4.115 -22.380 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.061 -24.006 0.664 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.672 -22.793 -0.707 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.014 -21.054 -0.868 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.570 -21.731 0.717 1.00 0.00 H new ATOM 87 N CYS A 7 -5.391 -20.430 -1.269 1.00 0.00 N ATOM 88 CA CYS A 7 -5.936 -19.485 -2.283 1.00 0.00 C ATOM 89 C CYS A 7 -6.972 -18.574 -1.626 1.00 0.00 C ATOM 90 O CYS A 7 -7.197 -17.462 -2.063 1.00 0.00 O ATOM 91 CB CYS A 7 -6.578 -20.360 -3.359 1.00 0.00 C ATOM 92 SG CYS A 7 -5.497 -20.408 -4.815 1.00 0.00 S ATOM 0 H CYS A 7 -5.577 -21.417 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.166 -18.843 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.738 -21.368 -2.977 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.556 -19.963 -3.631 1.00 0.00 H new ATOM 97 N ALA A 8 -7.594 -19.024 -0.568 1.00 0.00 N ATOM 98 CA ALA A 8 -8.592 -18.152 0.106 1.00 0.00 C ATOM 99 C ALA A 8 -7.855 -17.009 0.801 1.00 0.00 C ATOM 100 O ALA A 8 -8.095 -15.852 0.518 1.00 0.00 O ATOM 101 CB ALA A 8 -9.329 -19.028 1.119 1.00 0.00 C ATOM 0 H ALA A 8 -7.456 -19.944 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.303 -17.717 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.076 -18.430 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.821 -19.850 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.616 -19.429 1.839 1.00 0.00 H new ATOM 107 N THR A 9 -6.931 -17.307 1.684 1.00 0.00 N ATOM 108 CA THR A 9 -6.185 -16.194 2.330 1.00 0.00 C ATOM 109 C THR A 9 -5.543 -15.356 1.226 1.00 0.00 C ATOM 110 O THR A 9 -5.334 -14.167 1.365 1.00 0.00 O ATOM 111 CB THR A 9 -5.120 -16.856 3.208 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.334 -17.738 2.419 1.00 0.00 O ATOM 113 CG2 THR A 9 -5.799 -17.638 4.334 1.00 0.00 C ATOM 0 H THR A 9 -6.670 -18.249 1.976 1.00 0.00 H new ATOM 0 HA THR A 9 -6.819 -15.542 2.932 1.00 0.00 H new ATOM 0 HB THR A 9 -4.477 -16.089 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.481 -18.661 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.040 -18.109 4.959 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.397 -16.958 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.444 -18.405 3.906 1.00 0.00 H new ATOM 121 N GLN A 10 -5.248 -15.983 0.117 1.00 0.00 N ATOM 122 CA GLN A 10 -4.640 -15.258 -1.022 1.00 0.00 C ATOM 123 C GLN A 10 -5.722 -14.471 -1.767 1.00 0.00 C ATOM 124 O GLN A 10 -5.451 -13.488 -2.431 1.00 0.00 O ATOM 125 CB GLN A 10 -4.060 -16.349 -1.922 1.00 0.00 C ATOM 126 CG GLN A 10 -2.667 -16.736 -1.426 1.00 0.00 C ATOM 127 CD GLN A 10 -1.771 -15.496 -1.393 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.763 -15.479 -0.714 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.095 -14.450 -2.104 1.00 0.00 N ATOM 0 H GLN A 10 -5.407 -16.978 -0.043 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.878 -14.546 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.713 -17.222 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.005 -15.994 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.733 -17.176 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.234 -17.493 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.941 -14.463 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.502 -13.620 -2.089 1.00 0.00 H new ATOM 138 N ARG A 11 -6.957 -14.871 -1.625 1.00 0.00 N ATOM 139 CA ARG A 11 -8.056 -14.125 -2.291 1.00 0.00 C ATOM 140 C ARG A 11 -8.441 -13.035 -1.329 1.00 0.00 C ATOM 141 O ARG A 11 -8.625 -11.886 -1.677 1.00 0.00 O ATOM 142 CB ARG A 11 -9.195 -15.131 -2.471 1.00 0.00 C ATOM 143 CG ARG A 11 -9.526 -15.264 -3.957 1.00 0.00 C ATOM 144 CD ARG A 11 -8.406 -16.032 -4.658 1.00 0.00 C ATOM 145 NE ARG A 11 -9.034 -17.309 -5.100 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.810 -17.762 -6.303 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.162 -17.056 -7.342 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.233 -18.922 -6.467 1.00 0.00 N ATOM 0 H ARG A 11 -7.249 -15.680 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.796 -13.692 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.907 -16.100 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.076 -14.802 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.475 -15.785 -4.085 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.642 -14.277 -4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.013 -15.471 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.570 -16.216 -3.983 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.638 -17.828 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.612 -16.150 -7.214 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.987 -17.410 -8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.957 -19.474 -5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.058 -19.276 -7.407 1.00 0.00 H new ATOM 162 N LEU A 12 -8.497 -13.409 -0.094 1.00 0.00 N ATOM 163 CA LEU A 12 -8.794 -12.439 0.970 1.00 0.00 C ATOM 164 C LEU A 12 -7.756 -11.320 0.911 1.00 0.00 C ATOM 165 O LEU A 12 -8.077 -10.148 0.965 1.00 0.00 O ATOM 166 CB LEU A 12 -8.651 -13.264 2.242 1.00 0.00 C ATOM 167 CG LEU A 12 -10.009 -13.839 2.645 1.00 0.00 C ATOM 168 CD1 LEU A 12 -11.012 -12.699 2.828 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.510 -14.785 1.551 1.00 0.00 C ATOM 0 H LEU A 12 -8.346 -14.365 0.227 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.774 -11.968 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.937 -14.072 2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.256 -12.643 3.046 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.906 -14.388 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.980 -13.109 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.658 -12.024 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.114 -12.150 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.478 -15.194 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.612 -14.237 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.797 -15.599 1.419 1.00 0.00 H new ATOM 181 N ALA A 13 -6.511 -11.681 0.768 1.00 0.00 N ATOM 182 CA ALA A 13 -5.440 -10.653 0.668 1.00 0.00 C ATOM 183 C ALA A 13 -5.607 -9.898 -0.650 1.00 0.00 C ATOM 184 O ALA A 13 -5.162 -8.778 -0.804 1.00 0.00 O ATOM 185 CB ALA A 13 -4.128 -11.436 0.683 1.00 0.00 C ATOM 0 H ALA A 13 -6.189 -12.647 0.716 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.470 -9.923 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.290 -10.743 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.053 -12.003 1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.104 -12.122 -0.164 1.00 0.00 H new ATOM 191 N ASN A 14 -6.268 -10.507 -1.596 1.00 0.00 N ATOM 192 CA ASN A 14 -6.499 -9.837 -2.902 1.00 0.00 C ATOM 193 C ASN A 14 -7.367 -8.607 -2.667 1.00 0.00 C ATOM 194 O ASN A 14 -7.084 -7.530 -3.154 1.00 0.00 O ATOM 195 CB ASN A 14 -7.233 -10.870 -3.760 1.00 0.00 C ATOM 196 CG ASN A 14 -6.875 -10.661 -5.233 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.305 -9.649 -5.593 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.186 -11.581 -6.105 1.00 0.00 N ATOM 0 H ASN A 14 -6.659 -11.446 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.580 -9.509 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.959 -11.878 -3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.310 -10.775 -3.620 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.951 -11.451 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.664 -12.430 -5.802 1.00 0.00 H new ATOM 205 N PHE A 15 -8.409 -8.749 -1.889 1.00 0.00 N ATOM 206 CA PHE A 15 -9.262 -7.572 -1.591 1.00 0.00 C ATOM 207 C PHE A 15 -8.428 -6.594 -0.781 1.00 0.00 C ATOM 208 O PHE A 15 -8.671 -5.408 -0.767 1.00 0.00 O ATOM 209 CB PHE A 15 -10.434 -8.100 -0.759 1.00 0.00 C ATOM 210 CG PHE A 15 -10.915 -9.410 -1.327 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.302 -9.496 -2.669 1.00 0.00 C ATOM 212 CD2 PHE A 15 -10.966 -10.543 -0.510 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.745 -10.716 -3.192 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.407 -11.763 -1.031 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.796 -11.852 -2.373 1.00 0.00 C ATOM 0 H PHE A 15 -8.700 -9.624 -1.453 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.628 -7.067 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.124 -8.234 0.277 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.247 -7.374 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.259 -8.621 -3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.664 -10.476 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.048 -10.782 -4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.448 -12.637 -0.398 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.135 -12.795 -2.776 1.00 0.00 H new ATOM 225 N LEU A 16 -7.416 -7.088 -0.120 1.00 0.00 N ATOM 226 CA LEU A 16 -6.546 -6.175 0.667 1.00 0.00 C ATOM 227 C LEU A 16 -6.028 -5.083 -0.266 1.00 0.00 C ATOM 228 O LEU A 16 -5.960 -3.922 0.088 1.00 0.00 O ATOM 229 CB LEU A 16 -5.396 -7.048 1.172 1.00 0.00 C ATOM 230 CG LEU A 16 -5.075 -6.702 2.631 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.113 -5.185 2.836 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.104 -7.369 3.548 1.00 0.00 C ATOM 0 H LEU A 16 -7.158 -8.074 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.064 -5.694 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.665 -8.101 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.513 -6.896 0.551 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.076 -7.065 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.883 -4.953 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.376 -4.712 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.107 -4.810 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.879 -7.125 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.102 -7.008 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.065 -8.450 3.413 1.00 0.00 H new ATOM 244 N VAL A 17 -5.679 -5.456 -1.468 1.00 0.00 N ATOM 245 CA VAL A 17 -5.177 -4.450 -2.447 1.00 0.00 C ATOM 246 C VAL A 17 -6.356 -3.795 -3.175 1.00 0.00 C ATOM 247 O VAL A 17 -6.405 -2.593 -3.339 1.00 0.00 O ATOM 248 CB VAL A 17 -4.318 -5.245 -3.429 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.879 -4.328 -4.572 1.00 0.00 C ATOM 250 CG2 VAL A 17 -3.083 -5.789 -2.707 1.00 0.00 C ATOM 0 H VAL A 17 -5.720 -6.415 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.611 -3.651 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.897 -6.077 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.266 -4.891 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.759 -3.941 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.299 -3.497 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.471 -6.356 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.501 -4.959 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.396 -6.440 -1.891 1.00 0.00 H new ATOM 260 N HIS A 18 -7.310 -4.578 -3.609 1.00 0.00 N ATOM 261 CA HIS A 18 -8.485 -3.997 -4.320 1.00 0.00 C ATOM 262 C HIS A 18 -9.305 -3.146 -3.350 1.00 0.00 C ATOM 263 O HIS A 18 -9.634 -2.011 -3.627 1.00 0.00 O ATOM 264 CB HIS A 18 -9.303 -5.199 -4.795 1.00 0.00 C ATOM 265 CG HIS A 18 -8.615 -5.849 -5.966 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.202 -5.906 -7.236 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.396 -6.478 -6.083 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.343 -6.552 -8.053 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.254 -6.905 -7.389 1.00 0.00 N ATOM 0 H HIS A 18 -7.325 -5.592 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.191 -3.355 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.417 -5.917 -3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.305 -4.879 -5.081 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.675 -6.614 -5.290 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.519 -6.752 -9.100 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.452 -7.404 -7.774 1.00 0.00 H new ATOM 277 N SER A 19 -9.629 -3.685 -2.209 1.00 0.00 N ATOM 278 CA SER A 19 -10.420 -2.904 -1.216 1.00 0.00 C ATOM 279 C SER A 19 -9.704 -1.591 -0.905 1.00 0.00 C ATOM 280 O SER A 19 -10.271 -0.521 -1.009 1.00 0.00 O ATOM 281 CB SER A 19 -10.485 -3.788 0.028 1.00 0.00 C ATOM 282 OG SER A 19 -11.462 -3.273 0.922 1.00 0.00 O ATOM 0 H SER A 19 -9.381 -4.631 -1.920 1.00 0.00 H new ATOM 0 HA SER A 19 -11.415 -2.651 -1.582 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.736 -4.811 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.511 -3.821 0.516 1.00 0.00 H new ATOM 0 HG SER A 19 -11.506 -3.840 1.720 1.00 0.00 H new ATOM 288 N SER A 20 -8.459 -1.665 -0.530 1.00 0.00 N ATOM 289 CA SER A 20 -7.699 -0.422 -0.218 1.00 0.00 C ATOM 290 C SER A 20 -7.631 0.472 -1.458 1.00 0.00 C ATOM 291 O SER A 20 -7.370 1.656 -1.369 1.00 0.00 O ATOM 292 CB SER A 20 -6.303 -0.902 0.177 1.00 0.00 C ATOM 293 OG SER A 20 -5.369 0.148 -0.031 1.00 0.00 O ATOM 0 H SER A 20 -7.933 -2.533 -0.426 1.00 0.00 H new ATOM 0 HA SER A 20 -8.165 0.165 0.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.294 -1.210 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.025 -1.774 -0.415 1.00 0.00 H new ATOM 0 HG SER A 20 -4.473 -0.156 0.223 1.00 0.00 H new ATOM 299 N ASN A 21 -7.864 -0.085 -2.617 1.00 0.00 N ATOM 300 CA ASN A 21 -7.814 0.733 -3.861 1.00 0.00 C ATOM 301 C ASN A 21 -9.053 1.622 -3.953 1.00 0.00 C ATOM 302 O ASN A 21 -8.961 2.814 -4.171 1.00 0.00 O ATOM 303 CB ASN A 21 -7.796 -0.280 -5.008 1.00 0.00 C ATOM 304 CG ASN A 21 -7.526 0.444 -6.328 1.00 0.00 C ATOM 305 OD1 ASN A 21 -7.057 1.564 -6.335 1.00 0.00 O ATOM 306 ND2 ASN A 21 -7.805 -0.156 -7.452 1.00 0.00 N ATOM 0 H ASN A 21 -8.087 -1.071 -2.755 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.945 1.390 -3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.027 -1.032 -4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.750 -0.805 -5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.629 0.316 -8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.199 -1.097 -7.444 1.00 0.00 H new ATOM 313 N ASN A 22 -10.209 1.051 -3.781 1.00 0.00 N ATOM 314 CA ASN A 22 -11.458 1.861 -3.850 1.00 0.00 C ATOM 315 C ASN A 22 -11.487 2.867 -2.698 1.00 0.00 C ATOM 316 O ASN A 22 -11.649 4.057 -2.894 1.00 0.00 O ATOM 317 CB ASN A 22 -12.596 0.850 -3.711 1.00 0.00 C ATOM 318 CG ASN A 22 -13.891 1.457 -4.258 1.00 0.00 C ATOM 319 OD1 ASN A 22 -14.752 1.863 -3.502 1.00 0.00 O ATOM 320 ND2 ASN A 22 -14.065 1.539 -5.548 1.00 0.00 N ATOM 0 H ASN A 22 -10.346 0.057 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.536 2.430 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.353 -0.063 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.725 0.574 -2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.923 1.944 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.343 1.198 -6.183 1.00 0.00 H new ATOM 327 N PHE A 23 -11.316 2.395 -1.498 1.00 0.00 N ATOM 328 CA PHE A 23 -11.318 3.314 -0.329 1.00 0.00 C ATOM 329 C PHE A 23 -10.319 4.448 -0.584 1.00 0.00 C ATOM 330 O PHE A 23 -10.534 5.580 -0.203 1.00 0.00 O ATOM 331 CB PHE A 23 -10.901 2.428 0.859 1.00 0.00 C ATOM 332 CG PHE A 23 -9.981 3.179 1.797 1.00 0.00 C ATOM 333 CD1 PHE A 23 -8.621 3.297 1.492 1.00 0.00 C ATOM 334 CD2 PHE A 23 -10.489 3.750 2.969 1.00 0.00 C ATOM 335 CE1 PHE A 23 -7.767 3.989 2.358 1.00 0.00 C ATOM 336 CE2 PHE A 23 -9.635 4.442 3.836 1.00 0.00 C ATOM 337 CZ PHE A 23 -8.273 4.560 3.531 1.00 0.00 C ATOM 0 H PHE A 23 -11.174 1.410 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.282 3.787 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.788 2.098 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -10.400 1.532 0.492 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.230 2.854 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.539 3.657 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.717 4.082 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.026 4.885 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.614 5.092 4.201 1.00 0.00 H new ATOM 347 N GLY A 24 -9.231 4.143 -1.236 1.00 0.00 N ATOM 348 CA GLY A 24 -8.219 5.194 -1.528 1.00 0.00 C ATOM 349 C GLY A 24 -8.687 6.020 -2.727 1.00 0.00 C ATOM 350 O GLY A 24 -8.220 7.117 -2.959 1.00 0.00 O ATOM 0 H GLY A 24 -9.000 3.211 -1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.083 5.837 -0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.253 4.737 -1.741 1.00 0.00 H new ATOM 354 N ALA A 25 -9.613 5.500 -3.488 1.00 0.00 N ATOM 355 CA ALA A 25 -10.122 6.253 -4.671 1.00 0.00 C ATOM 356 C ALA A 25 -11.034 7.390 -4.211 1.00 0.00 C ATOM 357 O ALA A 25 -11.272 8.339 -4.930 1.00 0.00 O ATOM 358 CB ALA A 25 -10.916 5.229 -5.481 1.00 0.00 C ATOM 0 H ALA A 25 -10.039 4.585 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.318 6.700 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.325 5.707 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.259 4.411 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.731 4.837 -4.873 1.00 0.00 H new ATOM 364 N ILE A 26 -11.537 7.308 -3.011 1.00 0.00 N ATOM 365 CA ILE A 26 -12.422 8.392 -2.501 1.00 0.00 C ATOM 366 C ILE A 26 -11.542 9.396 -1.786 1.00 0.00 C ATOM 367 O ILE A 26 -11.536 10.574 -2.085 1.00 0.00 O ATOM 368 CB ILE A 26 -13.393 7.697 -1.541 1.00 0.00 C ATOM 369 CG1 ILE A 26 -13.808 6.331 -2.113 1.00 0.00 C ATOM 370 CG2 ILE A 26 -14.636 8.567 -1.348 1.00 0.00 C ATOM 371 CD1 ILE A 26 -13.925 6.407 -3.643 1.00 0.00 C ATOM 0 H ILE A 26 -11.374 6.538 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.976 8.923 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.899 7.549 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -13.074 5.574 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -14.761 6.024 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -15.325 8.071 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.344 9.531 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -15.126 8.720 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.219 5.433 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.676 7.149 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.963 6.693 -4.068 1.00 0.00 H new ATOM 383 N LEU A 27 -10.741 8.914 -0.886 1.00 0.00 N ATOM 384 CA LEU A 27 -9.789 9.803 -0.189 1.00 0.00 C ATOM 385 C LEU A 27 -9.015 10.581 -1.254 1.00 0.00 C ATOM 386 O LEU A 27 -8.499 11.656 -1.019 1.00 0.00 O ATOM 387 CB LEU A 27 -8.878 8.828 0.551 1.00 0.00 C ATOM 388 CG LEU A 27 -9.417 8.569 1.965 1.00 0.00 C ATOM 389 CD1 LEU A 27 -10.942 8.423 1.929 1.00 0.00 C ATOM 390 CD2 LEU A 27 -8.798 7.282 2.514 1.00 0.00 C ATOM 0 H LEU A 27 -10.706 7.935 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.243 10.527 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.814 7.889 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.868 9.234 0.607 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.155 9.410 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.314 8.240 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.386 9.339 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.212 7.586 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.178 7.095 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.060 6.446 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.714 7.387 2.551 1.00 0.00 H new ATOM 402 N SER A 28 -8.951 10.024 -2.436 1.00 0.00 N ATOM 403 CA SER A 28 -8.236 10.680 -3.563 1.00 0.00 C ATOM 404 C SER A 28 -8.848 12.051 -3.862 1.00 0.00 C ATOM 405 O SER A 28 -8.279 12.850 -4.577 1.00 0.00 O ATOM 406 CB SER A 28 -8.453 9.735 -4.744 1.00 0.00 C ATOM 407 OG SER A 28 -7.373 8.814 -4.812 1.00 0.00 O ATOM 0 H SER A 28 -9.373 9.125 -2.668 1.00 0.00 H new ATOM 0 HA SER A 28 -7.181 10.849 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.396 9.200 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.521 10.303 -5.672 1.00 0.00 H new ATOM 0 HG SER A 28 -7.635 7.971 -4.386 1.00 0.00 H new ATOM 413 N SER A 29 -10.001 12.331 -3.323 1.00 0.00 N ATOM 414 CA SER A 29 -10.638 13.646 -3.580 1.00 0.00 C ATOM 415 C SER A 29 -10.221 14.629 -2.501 1.00 0.00 C ATOM 416 O SER A 29 -9.630 15.643 -2.789 1.00 0.00 O ATOM 417 CB SER A 29 -12.141 13.378 -3.536 1.00 0.00 C ATOM 418 OG SER A 29 -12.706 13.665 -4.809 1.00 0.00 O ATOM 0 H SER A 29 -10.528 11.704 -2.715 1.00 0.00 H new ATOM 0 HA SER A 29 -10.345 14.080 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.329 12.338 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 29 -12.610 13.995 -2.770 1.00 0.00 H new ATOM 0 HG SER A 29 -13.670 13.493 -4.785 1.00 0.00 H new ATOM 424 N THR A 30 -10.514 14.340 -1.263 1.00 0.00 N ATOM 425 CA THR A 30 -10.118 15.263 -0.155 1.00 0.00 C ATOM 426 C THR A 30 -10.840 16.614 -0.272 1.00 0.00 C ATOM 427 O THR A 30 -11.396 17.112 0.686 1.00 0.00 O ATOM 428 CB THR A 30 -8.583 15.383 -0.280 1.00 0.00 C ATOM 429 OG1 THR A 30 -8.005 15.277 1.012 1.00 0.00 O ATOM 430 CG2 THR A 30 -8.140 16.713 -0.915 1.00 0.00 C ATOM 0 H THR A 30 -11.013 13.501 -0.967 1.00 0.00 H new ATOM 0 HA THR A 30 -10.402 14.890 0.829 1.00 0.00 H new ATOM 0 HB THR A 30 -8.246 14.579 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.030 15.350 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.052 16.742 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.563 16.797 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.490 17.543 -0.302 1.00 0.00 H new ATOM 438 N ASN A 31 -10.835 17.207 -1.431 1.00 0.00 N ATOM 439 CA ASN A 31 -11.518 18.519 -1.606 1.00 0.00 C ATOM 440 C ASN A 31 -13.014 18.303 -1.852 1.00 0.00 C ATOM 441 O ASN A 31 -13.726 19.209 -2.236 1.00 0.00 O ATOM 442 CB ASN A 31 -10.859 19.145 -2.835 1.00 0.00 C ATOM 443 CG ASN A 31 -11.022 20.665 -2.793 1.00 0.00 C ATOM 444 OD1 ASN A 31 -10.228 21.388 -3.360 1.00 0.00 O ATOM 445 ND2 ASN A 31 -12.025 21.185 -2.141 1.00 0.00 N ATOM 0 H ASN A 31 -10.385 16.839 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.427 19.155 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.801 18.884 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.311 18.747 -3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.142 22.198 -2.108 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.693 20.579 -1.664 1.00 0.00 H new ATOM 452 N VAL A 32 -13.496 17.110 -1.634 1.00 0.00 N ATOM 453 CA VAL A 32 -14.945 16.842 -1.858 1.00 0.00 C ATOM 454 C VAL A 32 -15.787 17.536 -0.782 1.00 0.00 C ATOM 455 O VAL A 32 -17.001 17.493 -0.808 1.00 0.00 O ATOM 456 CB VAL A 32 -15.085 15.324 -1.753 1.00 0.00 C ATOM 457 CG1 VAL A 32 -14.906 14.893 -0.296 1.00 0.00 C ATOM 458 CG2 VAL A 32 -16.474 14.904 -2.244 1.00 0.00 C ATOM 0 H VAL A 32 -12.951 16.311 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 32 -15.291 17.219 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.323 14.846 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.006 13.810 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.917 15.191 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.667 15.371 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -16.574 13.821 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.237 15.382 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -16.600 15.209 -3.283 1.00 0.00 H new ATOM 468 N GLY A 33 -15.153 18.174 0.164 1.00 0.00 N ATOM 469 CA GLY A 33 -15.920 18.869 1.237 1.00 0.00 C ATOM 470 C GLY A 33 -15.375 18.460 2.608 1.00 0.00 C ATOM 471 O GLY A 33 -16.114 18.053 3.482 1.00 0.00 O ATOM 0 H GLY A 33 -14.138 18.244 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.843 19.949 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.977 18.615 1.165 1.00 0.00 H new ATOM 475 N SER A 34 -14.087 18.564 2.801 1.00 0.00 N ATOM 476 CA SER A 34 -13.497 18.179 4.116 1.00 0.00 C ATOM 477 C SER A 34 -12.140 18.862 4.315 1.00 0.00 C ATOM 478 O SER A 34 -12.038 19.888 4.956 1.00 0.00 O ATOM 479 CB SER A 34 -13.323 16.664 4.040 1.00 0.00 C ATOM 480 OG SER A 34 -12.624 16.214 5.193 1.00 0.00 O ATOM 0 H SER A 34 -13.419 18.898 2.106 1.00 0.00 H new ATOM 0 HA SER A 34 -14.128 18.480 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.296 16.177 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.773 16.394 3.139 1.00 0.00 H new ATOM 0 HG SER A 34 -12.512 15.241 5.149 1.00 0.00 H new ATOM 486 N ASN A 35 -11.099 18.293 3.773 1.00 0.00 N ATOM 487 CA ASN A 35 -9.744 18.899 3.932 1.00 0.00 C ATOM 488 C ASN A 35 -9.516 19.983 2.874 1.00 0.00 C ATOM 489 O ASN A 35 -10.202 20.038 1.872 1.00 0.00 O ATOM 490 CB ASN A 35 -8.769 17.738 3.734 1.00 0.00 C ATOM 491 CG ASN A 35 -8.891 16.761 4.907 1.00 0.00 C ATOM 492 OD1 ASN A 35 -8.561 17.095 6.028 1.00 0.00 O ATOM 493 ND2 ASN A 35 -9.355 15.558 4.696 1.00 0.00 N ATOM 0 H ASN A 35 -11.127 17.433 3.226 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.617 19.378 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.983 17.225 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.748 18.114 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.440 14.901 5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.632 15.276 3.756 1.00 0.00 H new ATOM 500 N THR A 36 -8.560 20.847 3.092 1.00 0.00 N ATOM 501 CA THR A 36 -8.287 21.929 2.103 1.00 0.00 C ATOM 502 C THR A 36 -9.600 22.564 1.637 1.00 0.00 C ATOM 503 O THR A 36 -10.257 22.069 0.743 1.00 0.00 O ATOM 504 CB THR A 36 -7.582 21.237 0.936 1.00 0.00 C ATOM 505 OG1 THR A 36 -8.516 20.428 0.232 1.00 0.00 O ATOM 506 CG2 THR A 36 -6.448 20.362 1.471 1.00 0.00 C ATOM 0 H THR A 36 -7.956 20.849 3.914 1.00 0.00 H new ATOM 0 HA THR A 36 -7.680 22.729 2.527 1.00 0.00 H new ATOM 0 HB THR A 36 -7.171 21.988 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.424 20.634 0.539 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.946 19.869 0.639 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.733 20.983 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.856 19.610 2.146 1.00 0.00 H new ATOM 514 N TYR A 37 -9.989 23.656 2.236 1.00 0.00 N ATOM 515 CA TYR A 37 -11.261 24.315 1.824 1.00 0.00 C ATOM 516 C TYR A 37 -11.275 24.534 0.307 1.00 0.00 C ATOM 517 O TYR A 37 -12.353 24.707 -0.237 1.00 0.00 O ATOM 518 CB TYR A 37 -11.281 25.653 2.577 1.00 0.00 C ATOM 519 CG TYR A 37 -10.442 26.677 1.846 1.00 0.00 C ATOM 520 CD1 TYR A 37 -9.115 26.386 1.506 1.00 0.00 C ATOM 521 CD2 TYR A 37 -10.994 27.919 1.512 1.00 0.00 C ATOM 522 CE1 TYR A 37 -8.342 27.338 0.829 1.00 0.00 C ATOM 523 CE2 TYR A 37 -10.221 28.870 0.835 1.00 0.00 C ATOM 524 CZ TYR A 37 -8.895 28.580 0.494 1.00 0.00 C ATOM 525 OH TYR A 37 -8.134 29.517 -0.174 1.00 0.00 O ATOM 526 OXT TYR A 37 -10.207 24.524 -0.282 1.00 0.00 O ATOM 0 H TYR A 37 -9.483 24.119 2.991 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.138 23.711 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.306 26.011 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -10.899 25.515 3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -8.688 25.429 1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.017 28.144 1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.319 27.114 0.565 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.648 29.828 0.576 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.670 30.323 -0.330 1.00 0.00 H new TER 536 TYR A 37