USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=12 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 Set 1.1: A 13 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.7!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.935 K(o=-0.93,f=-3.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -58:sc= 0.966 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= -0.179 X(o=-0.18,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.024 USER MOD Single : A 30 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.1!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.626 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+ -173:sc= 0 (180deg=-0.0481) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0156 K(o=-0.016,f=-0.6) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0483 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= -0.0998 X(o=-0.1,f=-0.13) USER MOD Single : A 63 TYR OH : rot -48:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.603 -34.461 -2.782 1.00 64.44 N ATOM 2 CA PRO A 1 1.361 -33.016 -2.810 1.00 5.22 C ATOM 3 C PRO A 1 2.634 -32.211 -2.570 1.00 11.54 C ATOM 4 O PRO A 1 3.366 -32.459 -1.611 1.00 74.43 O ATOM 5 CB PRO A 1 0.368 -32.801 -1.665 1.00 4.40 C ATOM 6 CG PRO A 1 0.612 -33.937 -0.734 1.00 31.55 C ATOM 7 CD PRO A 1 1.010 -35.102 -1.597 1.00 73.51 C ATOM 0 H2 PRO A 1 2.608 -34.636 -2.794 1.00 64.44 H new ATOM 0 H3 PRO A 1 1.216 -34.885 -3.625 1.00 64.44 H new ATOM 0 HA PRO A 1 0.993 -32.682 -3.780 1.00 5.22 H new ATOM 0 HB2 PRO A 1 0.533 -31.843 -1.172 1.00 4.40 H new ATOM 0 HB3 PRO A 1 -0.660 -32.800 -2.027 1.00 4.40 H new ATOM 0 HG2 PRO A 1 1.399 -33.694 -0.020 1.00 31.55 H new ATOM 0 HG3 PRO A 1 -0.283 -34.167 -0.156 1.00 31.55 H new ATOM 0 HD2 PRO A 1 1.725 -35.751 -1.091 1.00 73.51 H new ATOM 0 HD3 PRO A 1 0.151 -35.719 -1.861 1.00 73.51 H new ATOM 15 N ARG A 2 2.891 -31.244 -3.445 1.00 64.52 N ATOM 16 CA ARG A 2 4.076 -30.403 -3.328 1.00 63.11 C ATOM 17 C ARG A 2 3.898 -29.364 -2.225 1.00 41.44 C ATOM 18 O ARG A 2 2.776 -29.047 -1.833 1.00 20.34 O ATOM 19 CB ARG A 2 4.367 -29.706 -4.659 1.00 34.34 C ATOM 20 CG ARG A 2 5.185 -30.550 -5.622 1.00 60.02 C ATOM 21 CD ARG A 2 4.303 -31.498 -6.420 1.00 2.02 C ATOM 22 NE ARG A 2 4.122 -32.779 -5.741 1.00 43.44 N ATOM 23 CZ ARG A 2 5.086 -33.684 -5.611 1.00 54.22 C ATOM 24 NH1 ARG A 2 6.292 -33.450 -6.110 1.00 54.21 N ATOM 25 NH2 ARG A 2 4.844 -34.826 -4.980 1.00 52.23 N ATOM 0 H ARG A 2 2.294 -31.024 -4.243 1.00 64.52 H new ATOM 0 HA ARG A 2 4.920 -31.042 -3.069 1.00 63.11 H new ATOM 0 HB2 ARG A 2 3.423 -29.440 -5.134 1.00 34.34 H new ATOM 0 HB3 ARG A 2 4.899 -28.775 -4.463 1.00 34.34 H new ATOM 0 HG2 ARG A 2 5.732 -29.899 -6.304 1.00 60.02 H new ATOM 0 HG3 ARG A 2 5.927 -31.123 -5.066 1.00 60.02 H new ATOM 0 HD2 ARG A 2 3.330 -31.035 -6.586 1.00 2.02 H new ATOM 0 HD3 ARG A 2 4.747 -31.667 -7.401 1.00 2.02 H new ATOM 0 HE ARG A 2 3.206 -32.990 -5.345 1.00 43.44 H new ATOM 0 HH11 ARG A 2 6.482 -32.573 -6.595 1.00 54.21 H new ATOM 0 HH12 ARG A 2 7.030 -34.147 -6.008 1.00 54.21 H new ATOM 0 HH21 ARG A 2 3.918 -35.009 -4.595 1.00 52.23 H new ATOM 0 HH22 ARG A 2 5.584 -35.520 -4.880 1.00 52.23 H new ATOM 39 N ASN A 3 5.013 -28.837 -1.730 1.00 42.53 N ATOM 40 CA ASN A 3 4.980 -27.833 -0.672 1.00 63.51 C ATOM 41 C ASN A 3 5.121 -26.428 -1.250 1.00 35.41 C ATOM 42 O ASN A 3 5.626 -25.520 -0.589 1.00 71.31 O ATOM 43 CB ASN A 3 6.097 -28.094 0.341 1.00 34.12 C ATOM 44 CG ASN A 3 5.844 -27.407 1.669 1.00 2.31 C ATOM 45 OD1 ASN A 3 4.754 -26.891 1.917 1.00 71.34 O ATOM 46 ND2 ASN A 3 6.854 -27.396 2.531 1.00 3.11 N ATOM 0 H ASN A 3 5.950 -29.088 -2.044 1.00 42.53 H new ATOM 0 HA ASN A 3 4.016 -27.904 -0.168 1.00 63.51 H new ATOM 0 HB2 ASN A 3 6.194 -29.168 0.503 1.00 34.12 H new ATOM 0 HB3 ASN A 3 7.045 -27.747 -0.070 1.00 34.12 H new ATOM 0 HD21 ASN A 3 6.743 -26.948 3.440 1.00 3.11 H new ATOM 0 HD22 ASN A 3 7.740 -27.836 2.284 1.00 3.11 H new ATOM 53 N THR A 4 4.669 -26.256 -2.488 1.00 51.23 N ATOM 54 CA THR A 4 4.744 -24.962 -3.156 1.00 21.51 C ATOM 55 C THR A 4 3.847 -23.938 -2.472 1.00 12.43 C ATOM 56 O THR A 4 4.092 -22.734 -2.550 1.00 0.34 O ATOM 57 CB THR A 4 4.342 -25.071 -4.639 1.00 33.52 C ATOM 58 OG1 THR A 4 5.046 -26.153 -5.259 1.00 41.23 O ATOM 59 CG2 THR A 4 4.640 -23.775 -5.377 1.00 70.31 C ATOM 0 H THR A 4 4.247 -26.996 -3.049 1.00 51.23 H new ATOM 0 HA THR A 4 5.781 -24.633 -3.092 1.00 21.51 H new ATOM 0 HB THR A 4 3.270 -25.260 -4.689 1.00 33.52 H new ATOM 0 HG1 THR A 4 4.784 -26.217 -6.201 1.00 41.23 H new ATOM 0 HG21 THR A 4 4.348 -23.876 -6.422 1.00 70.31 H new ATOM 0 HG22 THR A 4 4.079 -22.959 -4.921 1.00 70.31 H new ATOM 0 HG23 THR A 4 5.707 -23.560 -5.318 1.00 70.31 H new ATOM 67 N ARG A 5 2.807 -24.422 -1.801 1.00 71.50 N ATOM 68 CA ARG A 5 1.873 -23.548 -1.103 1.00 55.42 C ATOM 69 C ARG A 5 2.614 -22.593 -0.172 1.00 32.14 C ATOM 70 O ARG A 5 2.171 -21.469 0.060 1.00 10.31 O ATOM 71 CB ARG A 5 0.864 -24.376 -0.305 1.00 2.00 C ATOM 72 CG ARG A 5 -0.233 -24.988 -1.160 1.00 33.52 C ATOM 73 CD ARG A 5 -1.236 -25.756 -0.313 1.00 14.23 C ATOM 74 NE ARG A 5 -0.584 -26.716 0.574 1.00 45.45 N ATOM 75 CZ ARG A 5 -1.210 -27.353 1.556 1.00 12.54 C ATOM 76 NH1 ARG A 5 -2.499 -27.133 1.777 1.00 20.03 N ATOM 77 NH2 ARG A 5 -0.548 -28.212 2.320 1.00 3.44 N ATOM 0 H ARG A 5 2.590 -25.416 -1.726 1.00 71.50 H new ATOM 0 HA ARG A 5 1.339 -22.959 -1.849 1.00 55.42 H new ATOM 0 HB2 ARG A 5 1.393 -25.173 0.217 1.00 2.00 H new ATOM 0 HB3 ARG A 5 0.409 -23.743 0.457 1.00 2.00 H new ATOM 0 HG2 ARG A 5 -0.748 -24.201 -1.711 1.00 33.52 H new ATOM 0 HG3 ARG A 5 0.210 -25.657 -1.898 1.00 33.52 H new ATOM 0 HD2 ARG A 5 -1.821 -25.054 0.281 1.00 14.23 H new ATOM 0 HD3 ARG A 5 -1.934 -26.281 -0.965 1.00 14.23 H new ATOM 0 HE ARG A 5 0.408 -26.908 0.431 1.00 45.45 H new ATOM 0 HH11 ARG A 5 -3.011 -26.473 1.192 1.00 20.03 H new ATOM 0 HH12 ARG A 5 -2.978 -27.624 2.532 1.00 20.03 H new ATOM 0 HH21 ARG A 5 0.444 -28.384 2.153 1.00 3.44 H new ATOM 0 HH22 ARG A 5 -1.030 -28.701 3.074 1.00 3.44 H new ATOM 91 N GLU A 6 3.743 -23.051 0.360 1.00 43.35 N ATOM 92 CA GLU A 6 4.544 -22.237 1.267 1.00 64.42 C ATOM 93 C GLU A 6 5.423 -21.261 0.490 1.00 23.22 C ATOM 94 O GLU A 6 6.651 -21.331 0.550 1.00 11.31 O ATOM 95 CB GLU A 6 5.415 -23.130 2.153 1.00 21.25 C ATOM 96 CG GLU A 6 5.764 -22.503 3.493 1.00 44.35 C ATOM 97 CD GLU A 6 4.563 -22.375 4.408 1.00 35.33 C ATOM 98 OE1 GLU A 6 4.048 -21.247 4.557 1.00 74.12 O ATOM 99 OE2 GLU A 6 4.137 -23.403 4.976 1.00 2.44 O ATOM 0 H GLU A 6 4.123 -23.980 0.179 1.00 43.35 H new ATOM 0 HA GLU A 6 3.864 -21.664 1.897 1.00 64.42 H new ATOM 0 HB2 GLU A 6 4.896 -24.072 2.327 1.00 21.25 H new ATOM 0 HB3 GLU A 6 6.336 -23.367 1.621 1.00 21.25 H new ATOM 0 HG2 GLU A 6 6.527 -23.106 3.984 1.00 44.35 H new ATOM 0 HG3 GLU A 6 6.196 -21.516 3.327 1.00 44.35 H new ATOM 106 N VAL A 7 4.785 -20.351 -0.240 1.00 23.45 N ATOM 107 CA VAL A 7 5.508 -19.360 -1.028 1.00 74.30 C ATOM 108 C VAL A 7 6.563 -18.652 -0.187 1.00 2.23 C ATOM 109 O VAL A 7 7.652 -18.342 -0.670 1.00 4.12 O ATOM 110 CB VAL A 7 4.550 -18.310 -1.622 1.00 45.12 C ATOM 111 CG1 VAL A 7 3.743 -17.640 -0.521 1.00 41.42 C ATOM 112 CG2 VAL A 7 5.326 -17.279 -2.429 1.00 73.30 C ATOM 0 H VAL A 7 3.769 -20.280 -0.302 1.00 23.45 H new ATOM 0 HA VAL A 7 5.997 -19.897 -1.841 1.00 74.30 H new ATOM 0 HB VAL A 7 3.855 -18.815 -2.292 1.00 45.12 H new ATOM 0 HG11 VAL A 7 3.072 -16.901 -0.960 1.00 41.42 H new ATOM 0 HG12 VAL A 7 3.158 -18.391 0.010 1.00 41.42 H new ATOM 0 HG13 VAL A 7 4.419 -17.146 0.177 1.00 41.42 H new ATOM 0 HG21 VAL A 7 4.634 -16.544 -2.842 1.00 73.30 H new ATOM 0 HG22 VAL A 7 6.045 -16.777 -1.782 1.00 73.30 H new ATOM 0 HG23 VAL A 7 5.855 -17.776 -3.242 1.00 73.30 H new ATOM 122 N PHE A 8 6.234 -18.398 1.075 1.00 34.25 N ATOM 123 CA PHE A 8 7.153 -17.725 1.985 1.00 22.44 C ATOM 124 C PHE A 8 8.513 -18.418 1.994 1.00 1.55 C ATOM 125 O PHE A 8 9.548 -17.774 2.164 1.00 0.31 O ATOM 126 CB PHE A 8 6.574 -17.697 3.401 1.00 14.51 C ATOM 127 CG PHE A 8 7.520 -17.139 4.425 1.00 2.32 C ATOM 128 CD1 PHE A 8 7.740 -15.774 4.514 1.00 44.45 C ATOM 129 CD2 PHE A 8 8.190 -17.980 5.299 1.00 2.52 C ATOM 130 CE1 PHE A 8 8.611 -15.257 5.455 1.00 14.10 C ATOM 131 CE2 PHE A 8 9.061 -17.469 6.243 1.00 41.40 C ATOM 132 CZ PHE A 8 9.273 -16.106 6.320 1.00 14.22 C ATOM 0 H PHE A 8 5.337 -18.648 1.491 1.00 34.25 H new ATOM 0 HA PHE A 8 7.287 -16.702 1.635 1.00 22.44 H new ATOM 0 HB2 PHE A 8 5.661 -17.102 3.400 1.00 14.51 H new ATOM 0 HB3 PHE A 8 6.294 -18.710 3.690 1.00 14.51 H new ATOM 0 HD1 PHE A 8 7.225 -15.106 3.840 1.00 44.45 H new ATOM 0 HD2 PHE A 8 8.030 -19.047 5.242 1.00 2.52 H new ATOM 0 HE1 PHE A 8 8.773 -14.191 5.514 1.00 14.10 H new ATOM 0 HE2 PHE A 8 9.575 -18.135 6.920 1.00 41.40 H new ATOM 0 HZ PHE A 8 9.955 -15.705 7.055 1.00 14.22 H new ATOM 142 N ALA A 9 8.502 -19.734 1.811 1.00 15.23 N ATOM 143 CA ALA A 9 9.733 -20.514 1.797 1.00 53.12 C ATOM 144 C ALA A 9 10.730 -19.948 0.791 1.00 14.33 C ATOM 145 O ALA A 9 11.940 -20.093 0.956 1.00 64.44 O ATOM 146 CB ALA A 9 9.431 -21.971 1.480 1.00 34.11 C ATOM 0 H ALA A 9 7.654 -20.283 1.670 1.00 15.23 H new ATOM 0 HA ALA A 9 10.183 -20.455 2.788 1.00 53.12 H new ATOM 0 HB1 ALA A 9 10.360 -22.542 1.473 1.00 34.11 H new ATOM 0 HB2 ALA A 9 8.761 -22.377 2.238 1.00 34.11 H new ATOM 0 HB3 ALA A 9 8.955 -22.039 0.502 1.00 34.11 H new ATOM 152 N GLN A 10 10.212 -19.303 -0.249 1.00 51.41 N ATOM 153 CA GLN A 10 11.058 -18.716 -1.282 1.00 30.13 C ATOM 154 C GLN A 10 12.123 -17.815 -0.666 1.00 1.12 C ATOM 155 O GLN A 10 13.219 -17.671 -1.208 1.00 71.22 O ATOM 156 CB GLN A 10 10.210 -17.919 -2.274 1.00 14.43 C ATOM 157 CG GLN A 10 9.714 -16.592 -1.721 1.00 52.03 C ATOM 158 CD GLN A 10 10.666 -15.448 -2.007 1.00 65.05 C ATOM 159 OE1 GLN A 10 11.504 -15.532 -2.906 1.00 61.41 O ATOM 160 NE2 GLN A 10 10.543 -14.369 -1.243 1.00 24.31 N ATOM 0 H GLN A 10 9.211 -19.174 -0.399 1.00 51.41 H new ATOM 0 HA GLN A 10 11.557 -19.527 -1.812 1.00 30.13 H new ATOM 0 HB2 GLN A 10 10.797 -17.732 -3.173 1.00 14.43 H new ATOM 0 HB3 GLN A 10 9.353 -18.522 -2.573 1.00 14.43 H new ATOM 0 HG2 GLN A 10 8.739 -16.365 -2.152 1.00 52.03 H new ATOM 0 HG3 GLN A 10 9.573 -16.682 -0.644 1.00 52.03 H new ATOM 0 HE21 GLN A 10 9.835 -14.342 -0.509 1.00 24.31 H new ATOM 0 HE22 GLN A 10 11.157 -13.567 -1.390 1.00 24.31 H new ATOM 169 N VAL A 11 11.794 -17.209 0.471 1.00 73.14 N ATOM 170 CA VAL A 11 12.722 -16.322 1.161 1.00 23.11 C ATOM 171 C VAL A 11 14.020 -17.045 1.505 1.00 51.31 C ATOM 172 O VAL A 11 15.097 -16.660 1.050 1.00 64.22 O ATOM 173 CB VAL A 11 12.104 -15.758 2.454 1.00 75.11 C ATOM 174 CG1 VAL A 11 13.073 -14.808 3.140 1.00 23.21 C ATOM 175 CG2 VAL A 11 10.785 -15.062 2.153 1.00 11.33 C ATOM 0 H VAL A 11 10.891 -17.317 0.933 1.00 73.14 H new ATOM 0 HA VAL A 11 12.937 -15.498 0.481 1.00 23.11 H new ATOM 0 HB VAL A 11 11.905 -16.587 3.133 1.00 75.11 H new ATOM 0 HG11 VAL A 11 12.618 -14.420 4.051 1.00 23.21 H new ATOM 0 HG12 VAL A 11 13.990 -15.342 3.391 1.00 23.21 H new ATOM 0 HG13 VAL A 11 13.307 -13.980 2.470 1.00 23.21 H new ATOM 0 HG21 VAL A 11 10.362 -14.669 3.077 1.00 11.33 H new ATOM 0 HG22 VAL A 11 10.957 -14.242 1.456 1.00 11.33 H new ATOM 0 HG23 VAL A 11 10.090 -15.775 1.710 1.00 11.33 H new ATOM 185 N LYS A 12 13.910 -18.095 2.311 1.00 31.02 N ATOM 186 CA LYS A 12 15.074 -18.875 2.716 1.00 53.40 C ATOM 187 C LYS A 12 15.603 -19.706 1.552 1.00 44.11 C ATOM 188 O LYS A 12 16.804 -19.955 1.452 1.00 45.41 O ATOM 189 CB LYS A 12 14.717 -19.790 3.889 1.00 0.15 C ATOM 190 CG LYS A 12 14.027 -19.070 5.035 1.00 50.42 C ATOM 191 CD LYS A 12 13.653 -20.029 6.152 1.00 0.13 C ATOM 192 CE LYS A 12 14.879 -20.488 6.926 1.00 22.41 C ATOM 193 NZ LYS A 12 15.215 -19.556 8.037 1.00 5.23 N ATOM 0 H LYS A 12 13.026 -18.426 2.697 1.00 31.02 H new ATOM 0 HA LYS A 12 15.855 -18.181 3.029 1.00 53.40 H new ATOM 0 HB2 LYS A 12 14.069 -20.590 3.531 1.00 0.15 H new ATOM 0 HB3 LYS A 12 15.627 -20.260 4.262 1.00 0.15 H new ATOM 0 HG2 LYS A 12 14.684 -18.293 5.426 1.00 50.42 H new ATOM 0 HG3 LYS A 12 13.130 -18.573 4.666 1.00 50.42 H new ATOM 0 HD2 LYS A 12 12.953 -19.543 6.832 1.00 0.13 H new ATOM 0 HD3 LYS A 12 13.141 -20.895 5.733 1.00 0.13 H new ATOM 0 HE2 LYS A 12 14.701 -21.485 7.330 1.00 22.41 H new ATOM 0 HE3 LYS A 12 15.729 -20.565 6.248 1.00 22.41 H new ATOM 0 HZ1 LYS A 12 16.056 -19.904 8.540 1.00 5.23 H new ATOM 0 HZ2 LYS A 12 15.410 -18.610 7.650 1.00 5.23 H new ATOM 0 HZ3 LYS A 12 14.414 -19.501 8.698 1.00 5.23 H new ATOM 207 N GLN A 13 14.700 -20.131 0.675 1.00 51.23 N ATOM 208 CA GLN A 13 15.078 -20.933 -0.483 1.00 31.34 C ATOM 209 C GLN A 13 16.152 -20.230 -1.305 1.00 43.23 C ATOM 210 O GLN A 13 16.968 -20.877 -1.962 1.00 14.21 O ATOM 211 CB GLN A 13 13.854 -21.216 -1.355 1.00 51.04 C ATOM 212 CG GLN A 13 14.142 -22.142 -2.526 1.00 22.11 C ATOM 213 CD GLN A 13 12.951 -22.303 -3.450 1.00 43.31 C ATOM 214 OE1 GLN A 13 11.827 -21.943 -3.101 1.00 12.32 O ATOM 215 NE2 GLN A 13 13.192 -22.845 -4.638 1.00 23.52 N ATOM 0 H GLN A 13 13.702 -19.934 0.744 1.00 51.23 H new ATOM 0 HA GLN A 13 15.484 -21.878 -0.122 1.00 31.34 H new ATOM 0 HB2 GLN A 13 13.072 -21.658 -0.737 1.00 51.04 H new ATOM 0 HB3 GLN A 13 13.464 -20.272 -1.736 1.00 51.04 H new ATOM 0 HG2 GLN A 13 14.987 -21.752 -3.093 1.00 22.11 H new ATOM 0 HG3 GLN A 13 14.437 -23.120 -2.147 1.00 22.11 H new ATOM 0 HE21 GLN A 13 14.140 -23.129 -4.886 1.00 23.52 H new ATOM 0 HE22 GLN A 13 12.429 -22.977 -5.302 1.00 23.52 H new ATOM 224 N MET A 14 16.147 -18.901 -1.265 1.00 35.52 N ATOM 225 CA MET A 14 17.122 -18.110 -2.006 1.00 72.54 C ATOM 226 C MET A 14 18.545 -18.506 -1.625 1.00 51.52 C ATOM 227 O MET A 14 18.776 -19.076 -0.559 1.00 65.21 O ATOM 228 CB MET A 14 16.906 -16.619 -1.744 1.00 3.25 C ATOM 229 CG MET A 14 17.414 -15.725 -2.863 1.00 53.14 C ATOM 230 SD MET A 14 16.679 -14.079 -2.825 1.00 54.13 S ATOM 231 CE MET A 14 17.688 -13.286 -1.576 1.00 33.33 C ATOM 0 H MET A 14 15.478 -18.350 -0.727 1.00 35.52 H new ATOM 0 HA MET A 14 16.982 -18.308 -3.069 1.00 72.54 H new ATOM 0 HB2 MET A 14 15.842 -16.435 -1.598 1.00 3.25 H new ATOM 0 HB3 MET A 14 17.407 -16.345 -0.816 1.00 3.25 H new ATOM 0 HG2 MET A 14 18.498 -15.636 -2.788 1.00 53.14 H new ATOM 0 HG3 MET A 14 17.198 -16.193 -3.823 1.00 53.14 H new ATOM 0 HE1 MET A 14 17.355 -12.257 -1.438 1.00 33.33 H new ATOM 0 HE2 MET A 14 17.594 -13.827 -0.635 1.00 33.33 H new ATOM 0 HE3 MET A 14 18.731 -13.290 -1.894 1.00 33.33 H new ATOM 241 N TYR A 15 19.494 -18.199 -2.502 1.00 42.13 N ATOM 242 CA TYR A 15 20.894 -18.525 -2.258 1.00 43.35 C ATOM 243 C TYR A 15 21.092 -20.034 -2.150 1.00 53.44 C ATOM 244 O TYR A 15 21.734 -20.523 -1.221 1.00 62.22 O ATOM 245 CB TYR A 15 21.383 -17.842 -0.980 1.00 22.32 C ATOM 246 CG TYR A 15 22.829 -17.403 -1.042 1.00 73.15 C ATOM 247 CD1 TYR A 15 23.217 -16.156 -0.568 1.00 24.43 C ATOM 248 CD2 TYR A 15 23.805 -18.234 -1.577 1.00 63.11 C ATOM 249 CE1 TYR A 15 24.537 -15.750 -0.623 1.00 72.55 C ATOM 250 CE2 TYR A 15 25.127 -17.837 -1.636 1.00 22.15 C ATOM 251 CZ TYR A 15 25.488 -16.594 -1.158 1.00 31.53 C ATOM 252 OH TYR A 15 26.803 -16.195 -1.215 1.00 44.25 O ATOM 0 H TYR A 15 19.319 -17.725 -3.388 1.00 42.13 H new ATOM 0 HA TYR A 15 21.478 -18.160 -3.103 1.00 43.35 H new ATOM 0 HB2 TYR A 15 20.757 -16.973 -0.780 1.00 22.32 H new ATOM 0 HB3 TYR A 15 21.256 -18.526 -0.141 1.00 22.32 H new ATOM 0 HD1 TYR A 15 22.475 -15.493 -0.149 1.00 24.43 H new ATOM 0 HD2 TYR A 15 23.526 -19.207 -1.953 1.00 63.11 H new ATOM 0 HE1 TYR A 15 24.822 -14.778 -0.249 1.00 72.55 H new ATOM 0 HE2 TYR A 15 25.874 -18.496 -2.054 1.00 22.15 H new ATOM 0 HH TYR A 15 27.343 -16.906 -1.619 1.00 44.25 H new ATOM 262 N LYS A 16 20.535 -20.767 -3.108 1.00 54.45 N ATOM 263 CA LYS A 16 20.649 -22.220 -3.125 1.00 63.00 C ATOM 264 C LYS A 16 22.112 -22.651 -3.103 1.00 44.31 C ATOM 265 O LYS A 16 22.434 -23.775 -2.717 1.00 3.25 O ATOM 266 CB LYS A 16 19.957 -22.793 -4.364 1.00 14.24 C ATOM 267 CG LYS A 16 18.487 -23.109 -4.147 1.00 30.42 C ATOM 268 CD LYS A 16 18.006 -24.198 -5.092 1.00 14.52 C ATOM 269 CE LYS A 16 17.808 -23.664 -6.502 1.00 51.52 C ATOM 270 NZ LYS A 16 16.452 -23.076 -6.688 1.00 22.11 N ATOM 0 H LYS A 16 19.999 -20.378 -3.884 1.00 54.45 H new ATOM 0 HA LYS A 16 20.160 -22.608 -2.231 1.00 63.00 H new ATOM 0 HB2 LYS A 16 20.050 -22.081 -5.184 1.00 14.24 H new ATOM 0 HB3 LYS A 16 20.474 -23.702 -4.671 1.00 14.24 H new ATOM 0 HG2 LYS A 16 18.330 -23.425 -3.116 1.00 30.42 H new ATOM 0 HG3 LYS A 16 17.894 -22.207 -4.298 1.00 30.42 H new ATOM 0 HD2 LYS A 16 18.730 -25.013 -5.109 1.00 14.52 H new ATOM 0 HD3 LYS A 16 17.068 -24.613 -4.724 1.00 14.52 H new ATOM 0 HE2 LYS A 16 18.564 -22.908 -6.713 1.00 51.52 H new ATOM 0 HE3 LYS A 16 17.955 -24.471 -7.220 1.00 51.52 H new ATOM 0 HZ1 LYS A 16 16.357 -22.723 -7.662 1.00 22.11 H new ATOM 0 HZ2 LYS A 16 15.731 -23.804 -6.512 1.00 22.11 H new ATOM 0 HZ3 LYS A 16 16.320 -22.289 -6.021 1.00 22.11 H new ATOM 284 N THR A 17 22.996 -21.749 -3.519 1.00 65.01 N ATOM 285 CA THR A 17 24.425 -22.036 -3.547 1.00 1.42 C ATOM 286 C THR A 17 24.691 -23.459 -4.023 1.00 43.14 C ATOM 287 O THR A 17 25.428 -24.221 -3.397 1.00 71.35 O ATOM 288 CB THR A 17 25.064 -21.843 -2.158 1.00 73.53 C ATOM 289 OG1 THR A 17 26.460 -22.158 -2.213 1.00 75.12 O ATOM 290 CG2 THR A 17 24.381 -22.723 -1.122 1.00 73.31 C ATOM 0 H THR A 17 22.747 -20.814 -3.841 1.00 65.01 H new ATOM 0 HA THR A 17 24.875 -21.332 -4.247 1.00 1.42 H new ATOM 0 HB THR A 17 24.939 -20.800 -1.866 1.00 73.53 H new ATOM 0 HG1 THR A 17 26.575 -23.078 -2.529 1.00 75.12 H new ATOM 0 HG21 THR A 17 24.849 -22.570 -0.149 1.00 73.31 H new ATOM 0 HG22 THR A 17 23.325 -22.461 -1.062 1.00 73.31 H new ATOM 0 HG23 THR A 17 24.480 -23.769 -1.411 1.00 73.31 H new ATOM 298 N PRO A 18 24.079 -23.828 -5.159 1.00 3.25 N ATOM 299 CA PRO A 18 24.236 -25.162 -5.745 1.00 25.10 C ATOM 300 C PRO A 18 25.635 -25.386 -6.311 1.00 13.42 C ATOM 301 O PRO A 18 26.494 -24.506 -6.238 1.00 54.14 O ATOM 302 CB PRO A 18 23.196 -25.181 -6.868 1.00 10.15 C ATOM 303 CG PRO A 18 23.005 -23.749 -7.231 1.00 13.12 C ATOM 304 CD PRO A 18 23.187 -22.971 -5.957 1.00 42.42 C ATOM 0 HA PRO A 18 24.099 -25.951 -5.005 1.00 25.10 H new ATOM 0 HB2 PRO A 18 23.545 -25.763 -7.721 1.00 10.15 H new ATOM 0 HB3 PRO A 18 22.262 -25.633 -6.535 1.00 10.15 H new ATOM 0 HG2 PRO A 18 23.728 -23.438 -7.985 1.00 13.12 H new ATOM 0 HG3 PRO A 18 22.014 -23.582 -7.652 1.00 13.12 H new ATOM 0 HD2 PRO A 18 23.630 -21.993 -6.143 1.00 42.42 H new ATOM 0 HD3 PRO A 18 22.237 -22.799 -5.452 1.00 42.42 H new ATOM 312 N THR A 19 25.858 -26.568 -6.875 1.00 73.45 N ATOM 313 CA THR A 19 27.152 -26.908 -7.453 1.00 51.32 C ATOM 314 C THR A 19 26.991 -27.534 -8.834 1.00 33.04 C ATOM 315 O THR A 19 26.069 -28.317 -9.068 1.00 21.14 O ATOM 316 CB THR A 19 27.933 -27.880 -6.549 1.00 44.41 C ATOM 317 OG1 THR A 19 27.026 -28.759 -5.876 1.00 30.31 O ATOM 318 CG2 THR A 19 28.763 -27.119 -5.526 1.00 11.51 C ATOM 0 H THR A 19 25.158 -27.307 -6.944 1.00 73.45 H new ATOM 0 HA THR A 19 27.712 -25.977 -7.543 1.00 51.32 H new ATOM 0 HB THR A 19 28.606 -28.464 -7.177 1.00 44.41 H new ATOM 0 HG1 THR A 19 27.531 -29.375 -5.305 1.00 30.31 H new ATOM 0 HG21 THR A 19 29.306 -27.826 -4.899 1.00 11.51 H new ATOM 0 HG22 THR A 19 29.473 -26.472 -6.042 1.00 11.51 H new ATOM 0 HG23 THR A 19 28.106 -26.512 -4.903 1.00 11.51 H new ATOM 326 N LEU A 20 27.892 -27.186 -9.745 1.00 40.41 N ATOM 327 CA LEU A 20 27.850 -27.715 -11.104 1.00 2.22 C ATOM 328 C LEU A 20 28.369 -29.148 -11.146 1.00 64.40 C ATOM 329 O LEU A 20 29.562 -29.394 -10.966 1.00 44.01 O ATOM 330 CB LEU A 20 28.677 -26.833 -12.041 1.00 71.14 C ATOM 331 CG LEU A 20 27.952 -25.628 -12.643 1.00 21.44 C ATOM 332 CD1 LEU A 20 26.915 -26.082 -13.658 1.00 41.34 C ATOM 333 CD2 LEU A 20 27.301 -24.797 -11.547 1.00 55.23 C ATOM 0 H LEU A 20 28.661 -26.540 -9.568 1.00 40.41 H new ATOM 0 HA LEU A 20 26.812 -27.714 -11.436 1.00 2.22 H new ATOM 0 HB2 LEU A 20 29.547 -26.472 -11.493 1.00 71.14 H new ATOM 0 HB3 LEU A 20 29.049 -27.453 -12.857 1.00 71.14 H new ATOM 0 HG LEU A 20 28.685 -25.006 -13.157 1.00 21.44 H new ATOM 0 HD11 LEU A 20 26.409 -25.211 -14.076 1.00 41.34 H new ATOM 0 HD12 LEU A 20 27.407 -26.635 -14.458 1.00 41.34 H new ATOM 0 HD13 LEU A 20 26.184 -26.726 -13.168 1.00 41.34 H new ATOM 0 HD21 LEU A 20 26.790 -23.944 -11.993 1.00 55.23 H new ATOM 0 HD22 LEU A 20 26.580 -25.410 -11.005 1.00 55.23 H new ATOM 0 HD23 LEU A 20 28.066 -24.441 -10.857 1.00 55.23 H new ATOM 345 N LYS A 21 27.466 -30.092 -11.387 1.00 61.51 N ATOM 346 CA LYS A 21 27.832 -31.502 -11.457 1.00 71.20 C ATOM 347 C LYS A 21 28.865 -31.742 -12.553 1.00 61.51 C ATOM 348 O LYS A 21 29.806 -32.517 -12.374 1.00 53.41 O ATOM 349 CB LYS A 21 26.591 -32.360 -11.714 1.00 60.22 C ATOM 350 CG LYS A 21 25.898 -32.823 -10.444 1.00 55.35 C ATOM 351 CD LYS A 21 25.000 -31.738 -9.872 1.00 62.14 C ATOM 352 CE LYS A 21 24.492 -32.108 -8.487 1.00 63.03 C ATOM 353 NZ LYS A 21 23.914 -30.934 -7.777 1.00 2.03 N ATOM 0 H LYS A 21 26.474 -29.906 -11.537 1.00 61.51 H new ATOM 0 HA LYS A 21 28.271 -31.786 -10.500 1.00 71.20 H new ATOM 0 HB2 LYS A 21 25.884 -31.790 -12.317 1.00 60.22 H new ATOM 0 HB3 LYS A 21 26.878 -33.233 -12.300 1.00 60.22 H new ATOM 0 HG2 LYS A 21 25.305 -33.713 -10.655 1.00 55.35 H new ATOM 0 HG3 LYS A 21 26.645 -33.106 -9.703 1.00 55.35 H new ATOM 0 HD2 LYS A 21 25.550 -30.799 -9.820 1.00 62.14 H new ATOM 0 HD3 LYS A 21 24.154 -31.575 -10.540 1.00 62.14 H new ATOM 0 HE2 LYS A 21 23.736 -32.888 -8.574 1.00 63.03 H new ATOM 0 HE3 LYS A 21 25.311 -32.522 -7.898 1.00 63.03 H new ATOM 0 HZ1 LYS A 21 23.579 -31.227 -6.837 1.00 2.03 H new ATOM 0 HZ2 LYS A 21 24.642 -30.199 -7.671 1.00 2.03 H new ATOM 0 HZ3 LYS A 21 23.116 -30.555 -8.326 1.00 2.03 H new ATOM 367 N TYR A 22 28.685 -31.074 -13.686 1.00 52.45 N ATOM 368 CA TYR A 22 29.601 -31.215 -14.812 1.00 21.42 C ATOM 369 C TYR A 22 31.001 -30.736 -14.438 1.00 74.25 C ATOM 370 O TYR A 22 31.996 -31.186 -15.007 1.00 53.32 O ATOM 371 CB TYR A 22 29.086 -30.429 -16.018 1.00 73.24 C ATOM 372 CG TYR A 22 30.054 -30.398 -17.179 1.00 71.34 C ATOM 373 CD1 TYR A 22 30.608 -29.201 -17.615 1.00 51.15 C ATOM 374 CD2 TYR A 22 30.414 -31.566 -17.841 1.00 11.22 C ATOM 375 CE1 TYR A 22 31.492 -29.168 -18.676 1.00 44.42 C ATOM 376 CE2 TYR A 22 31.299 -31.542 -18.901 1.00 74.14 C ATOM 377 CZ TYR A 22 31.835 -30.341 -19.315 1.00 50.35 C ATOM 378 OH TYR A 22 32.716 -30.313 -20.373 1.00 14.25 O ATOM 0 H TYR A 22 27.912 -30.429 -13.850 1.00 52.45 H new ATOM 0 HA TYR A 22 29.655 -32.272 -15.073 1.00 21.42 H new ATOM 0 HB2 TYR A 22 28.145 -30.867 -16.352 1.00 73.24 H new ATOM 0 HB3 TYR A 22 28.869 -29.406 -15.709 1.00 73.24 H new ATOM 0 HD1 TYR A 22 30.343 -28.281 -17.116 1.00 51.15 H new ATOM 0 HD2 TYR A 22 29.995 -32.508 -17.521 1.00 11.22 H new ATOM 0 HE1 TYR A 22 31.912 -28.229 -19.003 1.00 44.42 H new ATOM 0 HE2 TYR A 22 31.570 -32.459 -19.403 1.00 74.14 H new ATOM 0 HH TYR A 22 32.852 -31.223 -20.710 1.00 14.25 H new ATOM 388 N PHE A 23 31.069 -29.821 -13.478 1.00 14.25 N ATOM 389 CA PHE A 23 32.345 -29.279 -13.027 1.00 23.02 C ATOM 390 C PHE A 23 33.085 -30.287 -12.152 1.00 1.53 C ATOM 391 O PHE A 23 34.314 -30.334 -12.144 1.00 4.44 O ATOM 392 CB PHE A 23 32.126 -27.978 -12.252 1.00 43.34 C ATOM 393 CG PHE A 23 33.372 -27.152 -12.104 1.00 51.40 C ATOM 394 CD1 PHE A 23 34.167 -26.870 -13.203 1.00 3.31 C ATOM 395 CD2 PHE A 23 33.748 -26.657 -10.865 1.00 72.43 C ATOM 396 CE1 PHE A 23 35.314 -26.110 -13.070 1.00 10.51 C ATOM 397 CE2 PHE A 23 34.893 -25.896 -10.726 1.00 60.43 C ATOM 398 CZ PHE A 23 35.678 -25.623 -11.830 1.00 33.14 C ATOM 0 H PHE A 23 30.255 -29.439 -12.997 1.00 14.25 H new ATOM 0 HA PHE A 23 32.954 -29.071 -13.907 1.00 23.02 H new ATOM 0 HB2 PHE A 23 31.365 -27.386 -12.760 1.00 43.34 H new ATOM 0 HB3 PHE A 23 31.737 -28.215 -11.262 1.00 43.34 H new ATOM 0 HD1 PHE A 23 33.887 -27.248 -14.175 1.00 3.31 H new ATOM 0 HD2 PHE A 23 33.139 -26.869 -9.998 1.00 72.43 H new ATOM 0 HE1 PHE A 23 35.925 -25.897 -13.935 1.00 10.51 H new ATOM 0 HE2 PHE A 23 35.174 -25.515 -9.755 1.00 60.43 H new ATOM 0 HZ PHE A 23 36.574 -25.030 -11.723 1.00 33.14 H new ATOM 408 N GLY A 24 32.326 -31.092 -11.415 1.00 14.54 N ATOM 409 CA GLY A 24 32.925 -32.087 -10.545 1.00 44.23 C ATOM 410 C GLY A 24 33.900 -32.986 -11.279 1.00 60.15 C ATOM 411 O GLY A 24 33.941 -32.996 -12.509 1.00 4.40 O ATOM 0 H GLY A 24 31.306 -31.073 -11.405 1.00 14.54 H new ATOM 0 HA2 GLY A 24 33.443 -31.586 -9.727 1.00 44.23 H new ATOM 0 HA3 GLY A 24 32.139 -32.696 -10.099 1.00 44.23 H new ATOM 415 N GLY A 25 34.689 -33.744 -10.523 1.00 53.04 N ATOM 416 CA GLY A 25 35.658 -34.639 -11.127 1.00 43.03 C ATOM 417 C GLY A 25 35.116 -36.042 -11.312 1.00 74.15 C ATOM 418 O GLY A 25 33.940 -36.300 -11.053 1.00 22.34 O ATOM 0 H GLY A 25 34.674 -33.754 -9.503 1.00 53.04 H new ATOM 0 HA2 GLY A 25 35.962 -34.240 -12.095 1.00 43.03 H new ATOM 0 HA3 GLY A 25 36.551 -34.677 -10.503 1.00 43.03 H new ATOM 422 N PHE A 26 35.973 -36.951 -11.765 1.00 32.55 N ATOM 423 CA PHE A 26 35.572 -38.336 -11.987 1.00 40.21 C ATOM 424 C PHE A 26 36.302 -39.274 -11.030 1.00 40.13 C ATOM 425 O PHE A 26 37.203 -38.858 -10.303 1.00 50.13 O ATOM 426 CB PHE A 26 35.854 -38.744 -13.434 1.00 63.43 C ATOM 427 CG PHE A 26 34.705 -38.485 -14.366 1.00 11.54 C ATOM 428 CD1 PHE A 26 34.494 -37.220 -14.891 1.00 12.11 C ATOM 429 CD2 PHE A 26 33.835 -39.505 -14.715 1.00 41.13 C ATOM 430 CE1 PHE A 26 33.437 -36.977 -15.749 1.00 23.55 C ATOM 431 CE2 PHE A 26 32.777 -39.269 -15.573 1.00 2.53 C ATOM 432 CZ PHE A 26 32.577 -38.003 -16.089 1.00 23.10 C ATOM 0 H PHE A 26 36.949 -36.754 -11.986 1.00 32.55 H new ATOM 0 HA PHE A 26 34.502 -38.414 -11.797 1.00 40.21 H new ATOM 0 HB2 PHE A 26 36.730 -38.203 -13.791 1.00 63.43 H new ATOM 0 HB3 PHE A 26 36.102 -39.805 -13.462 1.00 63.43 H new ATOM 0 HD1 PHE A 26 35.163 -36.414 -14.627 1.00 12.11 H new ATOM 0 HD2 PHE A 26 33.985 -40.496 -14.312 1.00 41.13 H new ATOM 0 HE1 PHE A 26 33.284 -35.987 -16.152 1.00 23.55 H new ATOM 0 HE2 PHE A 26 32.107 -40.073 -15.840 1.00 2.53 H new ATOM 0 HZ PHE A 26 31.749 -37.816 -16.757 1.00 23.10 H new ATOM 442 N ASN A 27 35.905 -40.542 -11.037 1.00 21.31 N ATOM 443 CA ASN A 27 36.520 -41.540 -10.169 1.00 61.22 C ATOM 444 C ASN A 27 36.822 -42.821 -10.942 1.00 2.34 C ATOM 445 O ASN A 27 35.917 -43.588 -11.271 1.00 24.13 O ATOM 446 CB ASN A 27 35.603 -41.850 -8.984 1.00 65.40 C ATOM 447 CG ASN A 27 36.377 -42.081 -7.700 1.00 14.21 C ATOM 448 OD1 ASN A 27 36.486 -41.188 -6.859 1.00 74.22 O ATOM 449 ND2 ASN A 27 36.918 -43.283 -7.543 1.00 61.23 N ATOM 0 H ASN A 27 35.161 -40.903 -11.634 1.00 21.31 H new ATOM 0 HA ASN A 27 37.459 -41.132 -9.796 1.00 61.22 H new ATOM 0 HB2 ASN A 27 34.906 -41.024 -8.841 1.00 65.40 H new ATOM 0 HB3 ASN A 27 35.007 -42.734 -9.210 1.00 65.40 H new ATOM 0 HD21 ASN A 27 37.450 -43.497 -6.699 1.00 61.23 H new ATOM 0 HD22 ASN A 27 36.802 -43.993 -8.266 1.00 61.23 H new ATOM 456 N PHE A 28 38.100 -43.045 -11.227 1.00 64.32 N ATOM 457 CA PHE A 28 38.523 -44.233 -11.961 1.00 54.42 C ATOM 458 C PHE A 28 38.519 -45.461 -11.056 1.00 74.34 C ATOM 459 O PHE A 28 38.314 -46.584 -11.517 1.00 74.23 O ATOM 460 CB PHE A 28 39.919 -44.024 -12.551 1.00 0.02 C ATOM 461 CG PHE A 28 39.979 -42.928 -13.576 1.00 61.23 C ATOM 462 CD1 PHE A 28 39.585 -43.162 -14.884 1.00 34.34 C ATOM 463 CD2 PHE A 28 40.431 -41.664 -13.233 1.00 32.11 C ATOM 464 CE1 PHE A 28 39.638 -42.156 -15.830 1.00 23.13 C ATOM 465 CE2 PHE A 28 40.486 -40.654 -14.175 1.00 3.15 C ATOM 466 CZ PHE A 28 40.091 -40.900 -15.475 1.00 32.52 C ATOM 0 H PHE A 28 38.861 -42.420 -10.961 1.00 64.32 H new ATOM 0 HA PHE A 28 37.815 -44.400 -12.773 1.00 54.42 H new ATOM 0 HB2 PHE A 28 40.615 -43.794 -11.744 1.00 0.02 H new ATOM 0 HB3 PHE A 28 40.255 -44.955 -13.007 1.00 0.02 H new ATOM 0 HD1 PHE A 28 39.232 -44.143 -15.167 1.00 34.34 H new ATOM 0 HD2 PHE A 28 40.744 -41.466 -12.218 1.00 32.11 H new ATOM 0 HE1 PHE A 28 39.326 -42.351 -16.845 1.00 23.13 H new ATOM 0 HE2 PHE A 28 40.838 -39.672 -13.894 1.00 3.15 H new ATOM 0 HZ PHE A 28 40.136 -40.112 -16.213 1.00 32.52 H new ATOM 476 N SER A 29 38.747 -45.239 -9.766 1.00 64.40 N ATOM 477 CA SER A 29 38.775 -46.328 -8.796 1.00 72.03 C ATOM 478 C SER A 29 37.441 -47.069 -8.773 1.00 43.05 C ATOM 479 O SER A 29 37.367 -48.220 -8.345 1.00 32.13 O ATOM 480 CB SER A 29 39.095 -45.788 -7.401 1.00 63.40 C ATOM 481 OG SER A 29 40.008 -44.707 -7.470 1.00 1.32 O ATOM 0 H SER A 29 38.915 -44.315 -9.368 1.00 64.40 H new ATOM 0 HA SER A 29 39.555 -47.028 -9.095 1.00 72.03 H new ATOM 0 HB2 SER A 29 38.176 -45.461 -6.914 1.00 63.40 H new ATOM 0 HB3 SER A 29 39.515 -46.584 -6.787 1.00 63.40 H new ATOM 0 HG SER A 29 40.195 -44.379 -6.566 1.00 1.32 H new ATOM 487 N GLN A 30 36.391 -46.399 -9.238 1.00 65.30 N ATOM 488 CA GLN A 30 35.060 -46.993 -9.270 1.00 63.54 C ATOM 489 C GLN A 30 35.067 -48.301 -10.055 1.00 71.30 C ATOM 490 O GLN A 30 34.222 -49.171 -9.838 1.00 4.33 O ATOM 491 CB GLN A 30 34.058 -46.018 -9.890 1.00 63.04 C ATOM 492 CG GLN A 30 33.292 -45.199 -8.864 1.00 41.13 C ATOM 493 CD GLN A 30 31.888 -44.856 -9.322 1.00 1.01 C ATOM 494 OE1 GLN A 30 31.469 -45.235 -10.416 1.00 44.01 O ATOM 495 NE2 GLN A 30 31.152 -44.135 -8.484 1.00 72.04 N ATOM 0 H GLN A 30 36.437 -45.445 -9.597 1.00 65.30 H new ATOM 0 HA GLN A 30 34.760 -47.207 -8.244 1.00 63.54 H new ATOM 0 HB2 GLN A 30 34.589 -45.341 -10.560 1.00 63.04 H new ATOM 0 HB3 GLN A 30 33.348 -46.578 -10.499 1.00 63.04 H new ATOM 0 HG2 GLN A 30 33.239 -45.754 -7.928 1.00 41.13 H new ATOM 0 HG3 GLN A 30 33.838 -44.278 -8.658 1.00 41.13 H new ATOM 0 HE21 GLN A 30 31.540 -43.842 -7.587 1.00 72.04 H new ATOM 0 HE22 GLN A 30 30.199 -43.874 -8.737 1.00 72.04 H new ATOM 504 N ILE A 31 36.024 -48.433 -10.967 1.00 71.33 N ATOM 505 CA ILE A 31 36.140 -49.635 -11.783 1.00 70.53 C ATOM 506 C ILE A 31 37.129 -50.622 -11.172 1.00 4.42 C ATOM 507 O ILE A 31 37.687 -51.471 -11.868 1.00 31.20 O ATOM 508 CB ILE A 31 36.587 -49.301 -13.219 1.00 0.44 C ATOM 509 CG1 ILE A 31 36.291 -50.474 -14.155 1.00 44.10 C ATOM 510 CG2 ILE A 31 38.068 -48.955 -13.245 1.00 24.11 C ATOM 511 CD1 ILE A 31 35.240 -50.165 -15.198 1.00 12.15 C ATOM 0 H ILE A 31 36.730 -47.723 -11.159 1.00 71.33 H new ATOM 0 HA ILE A 31 35.150 -50.089 -11.816 1.00 70.53 H new ATOM 0 HB ILE A 31 36.025 -48.434 -13.566 1.00 0.44 H new ATOM 0 HG12 ILE A 31 37.213 -50.770 -14.656 1.00 44.10 H new ATOM 0 HG13 ILE A 31 35.963 -51.328 -13.562 1.00 44.10 H new ATOM 0 HG21 ILE A 31 38.369 -48.721 -14.266 1.00 24.11 H new ATOM 0 HG22 ILE A 31 38.251 -48.091 -12.606 1.00 24.11 H new ATOM 0 HG23 ILE A 31 38.646 -49.804 -12.881 1.00 24.11 H new ATOM 0 HD11 ILE A 31 35.082 -51.042 -15.826 1.00 12.15 H new ATOM 0 HD12 ILE A 31 34.305 -49.898 -14.705 1.00 12.15 H new ATOM 0 HD13 ILE A 31 35.575 -49.332 -15.816 1.00 12.15 H new ATOM 523 N LEU A 32 37.342 -50.504 -9.866 1.00 31.53 N ATOM 524 CA LEU A 32 38.263 -51.387 -9.158 1.00 61.23 C ATOM 525 C LEU A 32 37.519 -52.252 -8.146 1.00 2.03 C ATOM 526 O LEU A 32 37.600 -52.042 -6.935 1.00 61.32 O ATOM 527 CB LEU A 32 39.343 -50.568 -8.450 1.00 43.31 C ATOM 528 CG LEU A 32 40.677 -51.277 -8.214 1.00 21.01 C ATOM 529 CD1 LEU A 32 40.491 -52.470 -7.289 1.00 72.14 C ATOM 530 CD2 LEU A 32 41.290 -51.715 -9.536 1.00 73.22 C ATOM 0 H LEU A 32 36.890 -49.806 -9.276 1.00 31.53 H new ATOM 0 HA LEU A 32 38.734 -52.042 -9.891 1.00 61.23 H new ATOM 0 HB2 LEU A 32 39.531 -49.669 -9.036 1.00 43.31 H new ATOM 0 HB3 LEU A 32 38.951 -50.244 -7.486 1.00 43.31 H new ATOM 0 HG LEU A 32 41.360 -50.575 -7.735 1.00 21.01 H new ATOM 0 HD11 LEU A 32 41.451 -52.962 -7.133 1.00 72.14 H new ATOM 0 HD12 LEU A 32 40.097 -52.130 -6.331 1.00 72.14 H new ATOM 0 HD13 LEU A 32 39.791 -53.174 -7.739 1.00 72.14 H new ATOM 0 HD21 LEU A 32 42.239 -52.218 -9.348 1.00 73.22 H new ATOM 0 HD22 LEU A 32 40.610 -52.400 -10.043 1.00 73.22 H new ATOM 0 HD23 LEU A 32 41.461 -50.841 -10.165 1.00 73.22 H new ATOM 542 N PRO A 33 36.778 -53.249 -8.650 1.00 70.54 N ATOM 543 CA PRO A 33 36.008 -54.168 -7.807 1.00 35.20 C ATOM 544 C PRO A 33 36.902 -55.107 -7.005 1.00 61.31 C ATOM 545 O PRO A 33 38.125 -54.964 -7.003 1.00 73.21 O ATOM 546 CB PRO A 33 35.171 -54.959 -8.816 1.00 14.51 C ATOM 547 CG PRO A 33 35.948 -54.895 -10.085 1.00 70.02 C ATOM 548 CD PRO A 33 36.635 -53.558 -10.083 1.00 45.32 C ATOM 0 HA PRO A 33 35.414 -53.637 -7.063 1.00 35.20 H new ATOM 0 HB2 PRO A 33 35.028 -55.989 -8.491 1.00 14.51 H new ATOM 0 HB3 PRO A 33 34.179 -54.523 -8.936 1.00 14.51 H new ATOM 0 HG2 PRO A 33 36.674 -55.706 -10.140 1.00 70.02 H new ATOM 0 HG3 PRO A 33 35.292 -54.995 -10.950 1.00 70.02 H new ATOM 0 HD2 PRO A 33 37.603 -53.603 -10.583 1.00 45.32 H new ATOM 0 HD3 PRO A 33 36.044 -52.802 -10.600 1.00 45.32 H new ATOM 556 N SER A 34 36.285 -56.068 -6.325 1.00 71.33 N ATOM 557 CA SER A 34 37.026 -57.029 -5.517 1.00 33.34 C ATOM 558 C SER A 34 36.194 -58.283 -5.265 1.00 33.22 C ATOM 559 O SER A 34 34.969 -58.282 -5.389 1.00 52.25 O ATOM 560 CB SER A 34 37.434 -56.399 -4.184 1.00 45.30 C ATOM 561 OG SER A 34 37.156 -57.269 -3.101 1.00 64.41 O ATOM 0 H SER A 34 35.274 -56.202 -6.318 1.00 71.33 H new ATOM 0 HA SER A 34 37.923 -57.313 -6.067 1.00 33.34 H new ATOM 0 HB2 SER A 34 38.498 -56.163 -4.201 1.00 45.30 H new ATOM 0 HB3 SER A 34 36.901 -55.458 -4.045 1.00 45.30 H new ATOM 0 HG SER A 34 37.428 -56.843 -2.261 1.00 64.41 H new ATOM 567 N PRO A 35 36.874 -59.381 -4.902 1.00 0.44 N ATOM 568 CA PRO A 35 36.219 -60.662 -4.624 1.00 30.31 C ATOM 569 C PRO A 35 35.398 -60.627 -3.340 1.00 35.23 C ATOM 570 O PRO A 35 35.383 -59.623 -2.627 1.00 2.30 O ATOM 571 CB PRO A 35 37.391 -61.636 -4.482 1.00 62.44 C ATOM 572 CG PRO A 35 38.542 -60.786 -4.067 1.00 20.41 C ATOM 573 CD PRO A 35 38.335 -59.455 -4.734 1.00 1.54 C ATOM 0 HA PRO A 35 35.511 -60.936 -5.406 1.00 30.31 H new ATOM 0 HB2 PRO A 35 37.179 -62.405 -3.739 1.00 62.44 H new ATOM 0 HB3 PRO A 35 37.596 -62.148 -5.422 1.00 62.44 H new ATOM 0 HG2 PRO A 35 38.577 -60.678 -2.983 1.00 20.41 H new ATOM 0 HG3 PRO A 35 39.488 -61.233 -4.373 1.00 20.41 H new ATOM 0 HD2 PRO A 35 38.711 -58.636 -4.121 1.00 1.54 H new ATOM 0 HD3 PRO A 35 38.853 -59.401 -5.692 1.00 1.54 H new ATOM 581 N LEU A 36 34.715 -61.729 -3.050 1.00 32.25 N ATOM 582 CA LEU A 36 33.891 -61.825 -1.850 1.00 14.24 C ATOM 583 C LEU A 36 32.755 -60.807 -1.886 1.00 61.04 C ATOM 584 O LEU A 36 32.896 -59.685 -1.400 1.00 22.05 O ATOM 585 CB LEU A 36 34.746 -61.607 -0.601 1.00 2.54 C ATOM 586 CG LEU A 36 36.075 -62.362 -0.557 1.00 31.04 C ATOM 587 CD1 LEU A 36 36.981 -61.786 0.521 1.00 71.34 C ATOM 588 CD2 LEU A 36 35.837 -63.846 -0.319 1.00 31.12 C ATOM 0 H LEU A 36 34.715 -62.569 -3.629 1.00 32.25 H new ATOM 0 HA LEU A 36 33.458 -62.825 -1.816 1.00 14.24 H new ATOM 0 HB2 LEU A 36 34.954 -60.541 -0.509 1.00 2.54 H new ATOM 0 HB3 LEU A 36 34.159 -61.894 0.271 1.00 2.54 H new ATOM 0 HG LEU A 36 36.571 -62.243 -1.521 1.00 31.04 H new ATOM 0 HD11 LEU A 36 37.922 -62.336 0.537 1.00 71.34 H new ATOM 0 HD12 LEU A 36 37.178 -60.735 0.307 1.00 71.34 H new ATOM 0 HD13 LEU A 36 36.493 -61.873 1.492 1.00 71.34 H new ATOM 0 HD21 LEU A 36 36.793 -64.368 -0.291 1.00 31.12 H new ATOM 0 HD22 LEU A 36 35.320 -63.984 0.631 1.00 31.12 H new ATOM 0 HD23 LEU A 36 35.227 -64.251 -1.126 1.00 31.12 H new ATOM 600 N LYS A 37 31.628 -61.207 -2.465 1.00 51.43 N ATOM 601 CA LYS A 37 30.466 -60.332 -2.563 1.00 55.21 C ATOM 602 C LYS A 37 29.179 -61.104 -2.289 1.00 51.21 C ATOM 603 O LYS A 37 28.339 -61.290 -3.170 1.00 14.34 O ATOM 604 CB LYS A 37 30.401 -59.688 -3.950 1.00 62.31 C ATOM 605 CG LYS A 37 29.327 -58.622 -4.077 1.00 0.24 C ATOM 606 CD LYS A 37 29.753 -57.320 -3.418 1.00 21.40 C ATOM 607 CE LYS A 37 29.218 -57.213 -1.998 1.00 53.24 C ATOM 608 NZ LYS A 37 28.772 -55.829 -1.677 1.00 54.22 N ATOM 0 H LYS A 37 31.495 -62.132 -2.874 1.00 51.43 H new ATOM 0 HA LYS A 37 30.568 -59.550 -1.811 1.00 55.21 H new ATOM 0 HB2 LYS A 37 31.370 -59.245 -4.181 1.00 62.31 H new ATOM 0 HB3 LYS A 37 30.220 -60.464 -4.693 1.00 62.31 H new ATOM 0 HG2 LYS A 37 29.112 -58.444 -5.131 1.00 0.24 H new ATOM 0 HG3 LYS A 37 28.404 -58.978 -3.619 1.00 0.24 H new ATOM 0 HD2 LYS A 37 30.841 -57.257 -3.404 1.00 21.40 H new ATOM 0 HD3 LYS A 37 29.393 -56.477 -4.008 1.00 21.40 H new ATOM 0 HE2 LYS A 37 28.383 -57.902 -1.871 1.00 53.24 H new ATOM 0 HE3 LYS A 37 29.992 -57.518 -1.294 1.00 53.24 H new ATOM 0 HZ1 LYS A 37 28.414 -55.797 -0.701 1.00 54.22 H new ATOM 0 HZ2 LYS A 37 29.575 -55.175 -1.773 1.00 54.22 H new ATOM 0 HZ3 LYS A 37 28.015 -55.547 -2.332 1.00 54.22 H new ATOM 622 N PRO A 38 29.018 -61.564 -1.039 1.00 43.34 N ATOM 623 CA PRO A 38 27.835 -62.321 -0.620 1.00 62.14 C ATOM 624 C PRO A 38 26.581 -61.455 -0.568 1.00 23.14 C ATOM 625 O PRO A 38 26.237 -60.904 0.479 1.00 64.50 O ATOM 626 CB PRO A 38 28.206 -62.811 0.781 1.00 30.35 C ATOM 627 CG PRO A 38 29.211 -61.828 1.273 1.00 12.54 C ATOM 628 CD PRO A 38 29.979 -61.379 0.061 1.00 22.11 C ATOM 0 HA PRO A 38 27.596 -63.124 -1.318 1.00 62.14 H new ATOM 0 HB2 PRO A 38 27.333 -62.844 1.433 1.00 30.35 H new ATOM 0 HB3 PRO A 38 28.620 -63.819 0.751 1.00 30.35 H new ATOM 0 HG2 PRO A 38 28.724 -60.984 1.761 1.00 12.54 H new ATOM 0 HG3 PRO A 38 29.874 -62.283 2.009 1.00 12.54 H new ATOM 0 HD2 PRO A 38 30.295 -60.339 0.148 1.00 22.11 H new ATOM 0 HD3 PRO A 38 30.880 -61.975 -0.088 1.00 22.11 H new ATOM 636 N THR A 39 25.900 -61.338 -1.703 1.00 71.22 N ATOM 637 CA THR A 39 24.684 -60.539 -1.786 1.00 42.43 C ATOM 638 C THR A 39 23.458 -61.361 -1.406 1.00 3.21 C ATOM 639 O THR A 39 22.852 -61.142 -0.357 1.00 22.33 O ATOM 640 CB THR A 39 24.485 -59.965 -3.202 1.00 33.20 C ATOM 641 OG1 THR A 39 25.617 -59.172 -3.573 1.00 43.33 O ATOM 642 CG2 THR A 39 23.222 -59.119 -3.270 1.00 61.42 C ATOM 0 H THR A 39 26.170 -61.787 -2.578 1.00 71.22 H new ATOM 0 HA THR A 39 24.798 -59.716 -1.081 1.00 42.43 H new ATOM 0 HB THR A 39 24.383 -60.798 -3.897 1.00 33.20 H new ATOM 0 HG1 THR A 39 25.483 -58.812 -4.475 1.00 43.33 H new ATOM 0 HG21 THR A 39 23.102 -58.724 -4.279 1.00 61.42 H new ATOM 0 HG22 THR A 39 22.358 -59.733 -3.016 1.00 61.42 H new ATOM 0 HG23 THR A 39 23.299 -58.292 -2.564 1.00 61.42 H new ATOM 650 N LYS A 40 23.097 -62.308 -2.265 1.00 24.34 N ATOM 651 CA LYS A 40 21.944 -63.166 -2.018 1.00 42.03 C ATOM 652 C LYS A 40 22.345 -64.400 -1.216 1.00 2.31 C ATOM 653 O LYS A 40 21.875 -64.603 -0.097 1.00 31.35 O ATOM 654 CB LYS A 40 21.307 -63.591 -3.343 1.00 73.10 C ATOM 655 CG LYS A 40 19.793 -63.704 -3.281 1.00 63.30 C ATOM 656 CD LYS A 40 19.353 -64.738 -2.258 1.00 11.54 C ATOM 657 CE LYS A 40 17.874 -65.064 -2.396 1.00 52.11 C ATOM 658 NZ LYS A 40 17.020 -63.858 -2.208 1.00 72.43 N ATOM 0 H LYS A 40 23.586 -62.501 -3.139 1.00 24.34 H new ATOM 0 HA LYS A 40 21.217 -62.598 -1.437 1.00 42.03 H new ATOM 0 HB2 LYS A 40 21.578 -62.870 -4.115 1.00 73.10 H new ATOM 0 HB3 LYS A 40 21.723 -64.552 -3.645 1.00 73.10 H new ATOM 0 HG2 LYS A 40 19.365 -62.734 -3.027 1.00 63.30 H new ATOM 0 HG3 LYS A 40 19.407 -63.975 -4.263 1.00 63.30 H new ATOM 0 HD2 LYS A 40 19.940 -65.648 -2.383 1.00 11.54 H new ATOM 0 HD3 LYS A 40 19.552 -64.365 -1.253 1.00 11.54 H new ATOM 0 HE2 LYS A 40 17.687 -65.492 -3.381 1.00 52.11 H new ATOM 0 HE3 LYS A 40 17.599 -65.822 -1.662 1.00 52.11 H new ATOM 0 HZ1 LYS A 40 16.019 -64.140 -2.191 1.00 72.43 H new ATOM 0 HZ2 LYS A 40 17.264 -63.396 -1.309 1.00 72.43 H new ATOM 0 HZ3 LYS A 40 17.179 -63.194 -2.993 1.00 72.43 H new ATOM 672 N ARG A 41 23.217 -65.219 -1.795 1.00 3.34 N ATOM 673 CA ARG A 41 23.681 -66.432 -1.133 1.00 3.03 C ATOM 674 C ARG A 41 25.104 -66.256 -0.609 1.00 53.41 C ATOM 675 O ARG A 41 25.356 -66.389 0.588 1.00 22.42 O ATOM 676 CB ARG A 41 23.625 -67.618 -2.097 1.00 71.02 C ATOM 677 CG ARG A 41 22.317 -68.391 -2.037 1.00 5.25 C ATOM 678 CD ARG A 41 22.541 -69.881 -2.240 1.00 23.14 C ATOM 679 NE ARG A 41 21.361 -70.665 -1.886 1.00 20.14 N ATOM 680 CZ ARG A 41 21.191 -71.936 -2.234 1.00 3.34 C ATOM 681 NH1 ARG A 41 22.121 -72.563 -2.941 1.00 2.24 N ATOM 682 NH2 ARG A 41 20.090 -72.582 -1.874 1.00 13.03 N ATOM 0 H ARG A 41 23.616 -65.065 -2.721 1.00 3.34 H new ATOM 0 HA ARG A 41 23.022 -66.628 -0.287 1.00 3.03 H new ATOM 0 HB2 ARG A 41 23.777 -67.256 -3.114 1.00 71.02 H new ATOM 0 HB3 ARG A 41 24.449 -68.296 -1.873 1.00 71.02 H new ATOM 0 HG2 ARG A 41 21.837 -68.222 -1.073 1.00 5.25 H new ATOM 0 HG3 ARG A 41 21.636 -68.017 -2.802 1.00 5.25 H new ATOM 0 HD2 ARG A 41 22.803 -70.070 -3.281 1.00 23.14 H new ATOM 0 HD3 ARG A 41 23.387 -70.206 -1.635 1.00 23.14 H new ATOM 0 HE ARG A 41 20.627 -70.212 -1.342 1.00 20.14 H new ATOM 0 HH11 ARG A 41 22.969 -72.070 -3.219 1.00 2.24 H new ATOM 0 HH12 ARG A 41 21.988 -73.539 -3.207 1.00 2.24 H new ATOM 0 HH21 ARG A 41 19.373 -72.103 -1.329 1.00 13.03 H new ATOM 0 HH22 ARG A 41 19.961 -73.558 -2.142 1.00 13.03 H new ATOM 696 N SER A 42 26.029 -65.955 -1.515 1.00 1.03 N ATOM 697 CA SER A 42 27.427 -65.765 -1.145 1.00 52.41 C ATOM 698 C SER A 42 28.266 -65.394 -2.365 1.00 34.44 C ATOM 699 O SER A 42 27.731 -65.097 -3.433 1.00 0.51 O ATOM 700 CB SER A 42 27.982 -67.034 -0.496 1.00 42.12 C ATOM 701 OG SER A 42 28.820 -66.720 0.603 1.00 62.14 O ATOM 0 H SER A 42 25.836 -65.838 -2.510 1.00 1.03 H new ATOM 0 HA SER A 42 27.480 -64.946 -0.427 1.00 52.41 H new ATOM 0 HB2 SER A 42 27.159 -67.665 -0.161 1.00 42.12 H new ATOM 0 HB3 SER A 42 28.544 -67.608 -1.233 1.00 42.12 H new ATOM 0 HG SER A 42 29.161 -67.548 1.002 1.00 62.14 H new ATOM 707 N PHE A 43 29.584 -65.416 -2.197 1.00 13.53 N ATOM 708 CA PHE A 43 30.498 -65.081 -3.282 1.00 61.34 C ATOM 709 C PHE A 43 30.591 -66.226 -4.287 1.00 54.13 C ATOM 710 O PHE A 43 30.817 -66.004 -5.477 1.00 72.32 O ATOM 711 CB PHE A 43 31.888 -64.762 -2.727 1.00 54.41 C ATOM 712 CG PHE A 43 32.906 -64.469 -3.792 1.00 32.12 C ATOM 713 CD1 PHE A 43 32.620 -63.583 -4.818 1.00 11.23 C ATOM 714 CD2 PHE A 43 34.149 -65.081 -3.767 1.00 12.10 C ATOM 715 CE1 PHE A 43 33.555 -63.311 -5.799 1.00 32.11 C ATOM 716 CE2 PHE A 43 35.088 -64.813 -4.745 1.00 12.30 C ATOM 717 CZ PHE A 43 34.790 -63.928 -5.763 1.00 0.21 C ATOM 0 H PHE A 43 30.043 -65.662 -1.320 1.00 13.53 H new ATOM 0 HA PHE A 43 30.108 -64.201 -3.794 1.00 61.34 H new ATOM 0 HB2 PHE A 43 31.816 -63.904 -2.059 1.00 54.41 H new ATOM 0 HB3 PHE A 43 32.233 -65.604 -2.128 1.00 54.41 H new ATOM 0 HD1 PHE A 43 31.655 -63.099 -4.852 1.00 11.23 H new ATOM 0 HD2 PHE A 43 34.387 -65.775 -2.974 1.00 12.10 H new ATOM 0 HE1 PHE A 43 33.320 -62.617 -6.592 1.00 32.11 H new ATOM 0 HE2 PHE A 43 36.054 -65.295 -4.713 1.00 12.30 H new ATOM 0 HZ PHE A 43 35.522 -63.719 -6.529 1.00 0.21 H new ATOM 727 N ILE A 44 30.415 -67.449 -3.799 1.00 73.23 N ATOM 728 CA ILE A 44 30.478 -68.628 -4.654 1.00 33.31 C ATOM 729 C ILE A 44 29.445 -68.552 -5.773 1.00 35.12 C ATOM 730 O ILE A 44 29.604 -69.177 -6.821 1.00 51.51 O ATOM 731 CB ILE A 44 30.250 -69.921 -3.848 1.00 4.33 C ATOM 732 CG1 ILE A 44 28.969 -69.811 -3.018 1.00 24.50 C ATOM 733 CG2 ILE A 44 31.446 -70.203 -2.951 1.00 4.33 C ATOM 734 CD1 ILE A 44 28.362 -71.151 -2.665 1.00 72.13 C ATOM 0 H ILE A 44 30.228 -67.649 -2.817 1.00 73.23 H new ATOM 0 HA ILE A 44 31.478 -68.650 -5.087 1.00 33.31 H new ATOM 0 HB ILE A 44 30.139 -70.752 -4.545 1.00 4.33 H new ATOM 0 HG12 ILE A 44 29.186 -69.266 -2.099 1.00 24.50 H new ATOM 0 HG13 ILE A 44 28.236 -69.224 -3.571 1.00 24.50 H new ATOM 0 HG21 ILE A 44 31.270 -71.120 -2.388 1.00 4.33 H new ATOM 0 HG22 ILE A 44 32.340 -70.319 -3.563 1.00 4.33 H new ATOM 0 HG23 ILE A 44 31.585 -69.373 -2.259 1.00 4.33 H new ATOM 0 HD11 ILE A 44 27.457 -70.997 -2.077 1.00 72.13 H new ATOM 0 HD12 ILE A 44 28.113 -71.690 -3.579 1.00 72.13 H new ATOM 0 HD13 ILE A 44 29.078 -71.733 -2.084 1.00 72.13 H new ATOM 746 N GLU A 45 28.386 -67.781 -5.542 1.00 63.14 N ATOM 747 CA GLU A 45 27.327 -67.623 -6.532 1.00 44.33 C ATOM 748 C GLU A 45 27.881 -67.050 -7.834 1.00 72.32 C ATOM 749 O GLU A 45 27.279 -67.203 -8.897 1.00 62.53 O ATOM 750 CB GLU A 45 26.224 -66.712 -5.990 1.00 41.42 C ATOM 751 CG GLU A 45 24.986 -67.463 -5.529 1.00 42.34 C ATOM 752 CD GLU A 45 23.720 -66.641 -5.669 1.00 14.34 C ATOM 753 OE1 GLU A 45 23.724 -65.468 -5.239 1.00 0.01 O ATOM 754 OE2 GLU A 45 22.725 -67.170 -6.206 1.00 55.54 O ATOM 0 H GLU A 45 28.239 -67.257 -4.679 1.00 63.14 H new ATOM 0 HA GLU A 45 26.907 -68.607 -6.738 1.00 44.33 H new ATOM 0 HB2 GLU A 45 26.620 -66.134 -5.155 1.00 41.42 H new ATOM 0 HB3 GLU A 45 25.939 -66.000 -6.765 1.00 41.42 H new ATOM 0 HG2 GLU A 45 24.885 -68.380 -6.109 1.00 42.34 H new ATOM 0 HG3 GLU A 45 25.111 -67.757 -4.487 1.00 42.34 H new ATOM 761 N ASP A 46 29.030 -66.390 -7.742 1.00 31.22 N ATOM 762 CA ASP A 46 29.666 -65.795 -8.911 1.00 53.34 C ATOM 763 C ASP A 46 30.040 -66.866 -9.931 1.00 31.01 C ATOM 764 O ASP A 46 30.292 -66.566 -11.099 1.00 3.24 O ATOM 765 CB ASP A 46 30.912 -65.010 -8.497 1.00 75.10 C ATOM 766 CG ASP A 46 31.761 -64.602 -9.685 1.00 35.20 C ATOM 767 OD1 ASP A 46 31.188 -64.134 -10.691 1.00 74.03 O ATOM 768 OD2 ASP A 46 32.998 -64.750 -9.608 1.00 71.41 O ATOM 0 H ASP A 46 29.540 -66.254 -6.869 1.00 31.22 H new ATOM 0 HA ASP A 46 28.953 -65.112 -9.373 1.00 53.34 H new ATOM 0 HB2 ASP A 46 30.610 -64.119 -7.947 1.00 75.10 H new ATOM 0 HB3 ASP A 46 31.511 -65.617 -7.818 1.00 75.10 H new ATOM 773 N LEU A 47 30.075 -68.116 -9.482 1.00 52.12 N ATOM 774 CA LEU A 47 30.419 -69.233 -10.355 1.00 43.21 C ATOM 775 C LEU A 47 29.435 -69.341 -11.515 1.00 41.14 C ATOM 776 O LEU A 47 29.725 -69.971 -12.533 1.00 22.50 O ATOM 777 CB LEU A 47 30.435 -70.540 -9.561 1.00 71.22 C ATOM 778 CG LEU A 47 31.790 -70.965 -8.994 1.00 60.13 C ATOM 779 CD1 LEU A 47 32.345 -69.889 -8.074 1.00 51.23 C ATOM 780 CD2 LEU A 47 31.667 -72.290 -8.255 1.00 43.33 C ATOM 0 H LEU A 47 29.869 -68.381 -8.519 1.00 52.12 H new ATOM 0 HA LEU A 47 31.413 -69.051 -10.763 1.00 43.21 H new ATOM 0 HB2 LEU A 47 29.731 -70.448 -8.734 1.00 71.22 H new ATOM 0 HB3 LEU A 47 30.067 -71.338 -10.206 1.00 71.22 H new ATOM 0 HG LEU A 47 32.484 -71.098 -9.824 1.00 60.13 H new ATOM 0 HD11 LEU A 47 33.310 -70.209 -7.680 1.00 51.23 H new ATOM 0 HD12 LEU A 47 32.471 -68.962 -8.633 1.00 51.23 H new ATOM 0 HD13 LEU A 47 31.653 -69.724 -7.248 1.00 51.23 H new ATOM 0 HD21 LEU A 47 32.641 -72.577 -7.858 1.00 43.33 H new ATOM 0 HD22 LEU A 47 30.958 -72.184 -7.434 1.00 43.33 H new ATOM 0 HD23 LEU A 47 31.314 -73.059 -8.943 1.00 43.33 H new ATOM 792 N LEU A 48 28.271 -68.720 -11.357 1.00 23.33 N ATOM 793 CA LEU A 48 27.244 -68.744 -12.392 1.00 60.42 C ATOM 794 C LEU A 48 27.751 -68.098 -13.678 1.00 22.54 C ATOM 795 O LEU A 48 27.187 -68.304 -14.752 1.00 51.45 O ATOM 796 CB LEU A 48 25.986 -68.022 -11.907 1.00 71.10 C ATOM 797 CG LEU A 48 25.905 -66.529 -12.224 1.00 51.53 C ATOM 798 CD1 LEU A 48 24.533 -65.980 -11.865 1.00 75.35 C ATOM 799 CD2 LEU A 48 26.995 -65.766 -11.486 1.00 25.54 C ATOM 0 H LEU A 48 28.015 -68.194 -10.522 1.00 23.33 H new ATOM 0 HA LEU A 48 27.000 -69.785 -12.602 1.00 60.42 H new ATOM 0 HB2 LEU A 48 25.117 -68.514 -12.345 1.00 71.10 H new ATOM 0 HB3 LEU A 48 25.913 -68.148 -10.827 1.00 71.10 H new ATOM 0 HG LEU A 48 26.058 -66.397 -13.295 1.00 51.53 H new ATOM 0 HD11 LEU A 48 24.495 -64.916 -12.098 1.00 75.35 H new ATOM 0 HD12 LEU A 48 23.769 -66.505 -12.439 1.00 75.35 H new ATOM 0 HD13 LEU A 48 24.350 -66.125 -10.800 1.00 75.35 H new ATOM 0 HD21 LEU A 48 26.921 -64.705 -11.724 1.00 25.54 H new ATOM 0 HD22 LEU A 48 26.874 -65.906 -10.412 1.00 25.54 H new ATOM 0 HD23 LEU A 48 27.972 -66.140 -11.793 1.00 25.54 H new ATOM 811 N PHE A 49 28.821 -67.319 -13.560 1.00 12.33 N ATOM 812 CA PHE A 49 29.405 -66.643 -14.712 1.00 64.55 C ATOM 813 C PHE A 49 29.902 -67.655 -15.741 1.00 62.11 C ATOM 814 O PHE A 49 30.124 -67.317 -16.903 1.00 4.22 O ATOM 815 CB PHE A 49 30.559 -65.740 -14.270 1.00 72.45 C ATOM 816 CG PHE A 49 31.861 -66.470 -14.101 1.00 74.21 C ATOM 817 CD1 PHE A 49 33.003 -66.038 -14.755 1.00 53.43 C ATOM 818 CD2 PHE A 49 31.942 -67.589 -13.288 1.00 71.21 C ATOM 819 CE1 PHE A 49 34.202 -66.707 -14.601 1.00 44.44 C ATOM 820 CE2 PHE A 49 33.139 -68.262 -13.130 1.00 12.00 C ATOM 821 CZ PHE A 49 34.270 -67.821 -13.788 1.00 41.04 C ATOM 0 H PHE A 49 29.301 -67.140 -12.678 1.00 12.33 H new ATOM 0 HA PHE A 49 28.630 -66.031 -15.174 1.00 64.55 H new ATOM 0 HB2 PHE A 49 30.690 -64.945 -15.005 1.00 72.45 H new ATOM 0 HB3 PHE A 49 30.295 -65.262 -13.327 1.00 72.45 H new ATOM 0 HD1 PHE A 49 32.956 -65.168 -15.393 1.00 53.43 H new ATOM 0 HD2 PHE A 49 31.060 -67.939 -12.772 1.00 71.21 H new ATOM 0 HE1 PHE A 49 35.085 -66.359 -15.116 1.00 44.44 H new ATOM 0 HE2 PHE A 49 33.190 -69.132 -12.492 1.00 12.00 H new ATOM 0 HZ PHE A 49 35.206 -68.346 -13.667 1.00 41.04 H new ATOM 831 N ASN A 50 30.075 -68.898 -15.304 1.00 74.40 N ATOM 832 CA ASN A 50 30.546 -69.960 -16.186 1.00 22.12 C ATOM 833 C ASN A 50 29.391 -70.855 -16.626 1.00 45.31 C ATOM 834 O ASN A 50 29.484 -71.557 -17.633 1.00 42.33 O ATOM 835 CB ASN A 50 31.616 -70.798 -15.482 1.00 72.14 C ATOM 836 CG ASN A 50 32.625 -71.380 -16.453 1.00 43.11 C ATOM 837 OD1 ASN A 50 32.382 -71.438 -17.658 1.00 71.15 O ATOM 838 ND2 ASN A 50 33.766 -71.814 -15.930 1.00 61.43 N ATOM 0 H ASN A 50 29.896 -69.195 -14.345 1.00 74.40 H new ATOM 0 HA ASN A 50 30.980 -69.497 -17.072 1.00 22.12 H new ATOM 0 HB2 ASN A 50 32.135 -70.179 -14.750 1.00 72.14 H new ATOM 0 HB3 ASN A 50 31.136 -71.608 -14.932 1.00 72.14 H new ATOM 0 HD21 ASN A 50 34.484 -72.215 -16.534 1.00 61.43 H new ATOM 0 HD22 ASN A 50 33.925 -71.746 -14.925 1.00 61.43 H new ATOM 845 N LYS A 51 28.303 -70.824 -15.865 1.00 11.12 N ATOM 846 CA LYS A 51 27.128 -71.630 -16.176 1.00 1.52 C ATOM 847 C LYS A 51 26.104 -70.817 -16.962 1.00 61.42 C ATOM 848 O LYS A 51 24.901 -71.065 -16.876 1.00 23.44 O ATOM 849 CB LYS A 51 26.494 -72.161 -14.889 1.00 35.13 C ATOM 850 CG LYS A 51 25.710 -73.448 -15.083 1.00 40.31 C ATOM 851 CD LYS A 51 25.139 -73.957 -13.770 1.00 42.12 C ATOM 852 CE LYS A 51 23.876 -74.774 -13.991 1.00 72.34 C ATOM 853 NZ LYS A 51 24.180 -76.135 -14.515 1.00 50.20 N ATOM 0 H LYS A 51 28.210 -70.249 -15.028 1.00 11.12 H new ATOM 0 HA LYS A 51 27.447 -72.472 -16.791 1.00 1.52 H new ATOM 0 HB2 LYS A 51 27.278 -72.331 -14.151 1.00 35.13 H new ATOM 0 HB3 LYS A 51 25.830 -71.399 -14.480 1.00 35.13 H new ATOM 0 HG2 LYS A 51 24.899 -73.278 -15.792 1.00 40.31 H new ATOM 0 HG3 LYS A 51 26.359 -74.208 -15.518 1.00 40.31 H new ATOM 0 HD2 LYS A 51 25.884 -74.568 -13.260 1.00 42.12 H new ATOM 0 HD3 LYS A 51 24.918 -73.113 -13.117 1.00 42.12 H new ATOM 0 HE2 LYS A 51 23.330 -74.860 -13.051 1.00 72.34 H new ATOM 0 HE3 LYS A 51 23.224 -74.252 -14.692 1.00 72.34 H new ATOM 0 HZ1 LYS A 51 23.293 -76.660 -14.652 1.00 50.20 H new ATOM 0 HZ2 LYS A 51 24.678 -76.054 -15.424 1.00 50.20 H new ATOM 0 HZ3 LYS A 51 24.781 -76.643 -13.835 1.00 50.20 H new ATOM 867 N VAL A 52 26.589 -69.847 -17.731 1.00 31.13 N ATOM 868 CA VAL A 52 25.716 -69.000 -18.535 1.00 32.33 C ATOM 869 C VAL A 52 26.343 -68.694 -19.890 1.00 5.53 C ATOM 870 O VAL A 52 26.033 -67.679 -20.516 1.00 21.34 O ATOM 871 CB VAL A 52 25.401 -67.675 -17.815 1.00 60.42 C ATOM 872 CG1 VAL A 52 24.534 -67.925 -16.591 1.00 32.31 C ATOM 873 CG2 VAL A 52 26.687 -66.960 -17.431 1.00 2.23 C ATOM 0 H VAL A 52 27.582 -69.628 -17.814 1.00 31.13 H new ATOM 0 HA VAL A 52 24.788 -69.553 -18.684 1.00 32.33 H new ATOM 0 HB VAL A 52 24.845 -67.033 -18.498 1.00 60.42 H new ATOM 0 HG11 VAL A 52 24.322 -66.978 -16.096 1.00 32.31 H new ATOM 0 HG12 VAL A 52 23.598 -68.392 -16.897 1.00 32.31 H new ATOM 0 HG13 VAL A 52 25.060 -68.585 -15.901 1.00 32.31 H new ATOM 0 HG21 VAL A 52 26.446 -66.026 -16.923 1.00 2.23 H new ATOM 0 HG22 VAL A 52 27.271 -67.595 -16.765 1.00 2.23 H new ATOM 0 HG23 VAL A 52 27.266 -66.746 -18.329 1.00 2.23 H new ATOM 883 N THR A 53 27.229 -69.577 -20.339 1.00 61.34 N ATOM 884 CA THR A 53 27.902 -69.401 -21.620 1.00 73.33 C ATOM 885 C THR A 53 27.065 -69.965 -22.763 1.00 15.51 C ATOM 886 O THR A 53 26.665 -69.235 -23.672 1.00 31.24 O ATOM 887 CB THR A 53 29.284 -70.082 -21.627 1.00 55.04 C ATOM 888 OG1 THR A 53 29.160 -71.446 -21.211 1.00 34.41 O ATOM 889 CG2 THR A 53 30.251 -69.352 -20.708 1.00 42.23 C ATOM 0 H THR A 53 27.497 -70.422 -19.834 1.00 61.34 H new ATOM 0 HA THR A 53 28.033 -68.328 -21.763 1.00 73.33 H new ATOM 0 HB THR A 53 29.677 -70.047 -22.643 1.00 55.04 H new ATOM 0 HG1 THR A 53 30.042 -71.872 -21.220 1.00 34.41 H new ATOM 0 HG21 THR A 53 31.220 -69.851 -20.729 1.00 42.23 H new ATOM 0 HG22 THR A 53 30.366 -68.322 -21.045 1.00 42.23 H new ATOM 0 HG23 THR A 53 29.861 -69.359 -19.690 1.00 42.23 H new ATOM 897 N LEU A 54 26.801 -71.266 -22.712 1.00 4.44 N ATOM 898 CA LEU A 54 26.010 -71.927 -23.743 1.00 32.30 C ATOM 899 C LEU A 54 24.637 -71.276 -23.878 1.00 3.21 C ATOM 900 O LEU A 54 24.019 -71.322 -24.941 1.00 42.30 O ATOM 901 CB LEU A 54 25.852 -73.414 -23.417 1.00 53.53 C ATOM 902 CG LEU A 54 24.835 -73.757 -22.328 1.00 24.52 C ATOM 903 CD1 LEU A 54 24.559 -75.253 -22.309 1.00 11.24 C ATOM 904 CD2 LEU A 54 25.332 -73.287 -20.968 1.00 75.51 C ATOM 0 H LEU A 54 27.123 -71.884 -21.967 1.00 4.44 H new ATOM 0 HA LEU A 54 26.536 -71.823 -24.692 1.00 32.30 H new ATOM 0 HB2 LEU A 54 25.568 -73.938 -24.330 1.00 53.53 H new ATOM 0 HB3 LEU A 54 26.824 -73.805 -23.115 1.00 53.53 H new ATOM 0 HG LEU A 54 23.902 -73.239 -22.551 1.00 24.52 H new ATOM 0 HD11 LEU A 54 23.833 -75.479 -21.528 1.00 11.24 H new ATOM 0 HD12 LEU A 54 24.160 -75.562 -23.275 1.00 11.24 H new ATOM 0 HD13 LEU A 54 25.486 -75.791 -22.110 1.00 11.24 H new ATOM 0 HD21 LEU A 54 24.596 -73.539 -20.205 1.00 75.51 H new ATOM 0 HD22 LEU A 54 26.277 -73.778 -20.737 1.00 75.51 H new ATOM 0 HD23 LEU A 54 25.479 -72.207 -20.988 1.00 75.51 H new ATOM 916 N ALA A 55 24.168 -70.668 -22.794 1.00 15.35 N ATOM 917 CA ALA A 55 22.870 -70.003 -22.792 1.00 44.10 C ATOM 918 C ALA A 55 22.753 -69.025 -23.957 1.00 21.35 C ATOM 919 O ALA A 55 21.748 -69.009 -24.667 1.00 32.11 O ATOM 920 CB ALA A 55 22.648 -69.282 -21.471 1.00 3.13 C ATOM 0 H ALA A 55 24.667 -70.622 -21.906 1.00 15.35 H new ATOM 0 HA ALA A 55 22.099 -70.764 -22.911 1.00 44.10 H new ATOM 0 HB1 ALA A 55 21.675 -68.790 -21.484 1.00 3.13 H new ATOM 0 HB2 ALA A 55 22.680 -70.002 -20.654 1.00 3.13 H new ATOM 0 HB3 ALA A 55 23.430 -68.536 -21.328 1.00 3.13 H new ATOM 926 N ASP A 56 23.786 -68.212 -24.146 1.00 10.30 N ATOM 927 CA ASP A 56 23.799 -67.231 -25.225 1.00 52.10 C ATOM 928 C ASP A 56 23.714 -67.918 -26.585 1.00 2.54 C ATOM 929 O ASP A 56 23.227 -67.338 -27.555 1.00 11.35 O ATOM 930 CB ASP A 56 25.064 -66.375 -25.150 1.00 1.11 C ATOM 931 CG ASP A 56 24.862 -64.990 -25.733 1.00 33.10 C ATOM 932 OD1 ASP A 56 23.874 -64.325 -25.355 1.00 60.42 O ATOM 933 OD2 ASP A 56 25.691 -64.571 -26.566 1.00 45.24 O ATOM 0 H ASP A 56 24.625 -68.213 -23.566 1.00 10.30 H new ATOM 0 HA ASP A 56 22.927 -66.587 -25.108 1.00 52.10 H new ATOM 0 HB2 ASP A 56 25.378 -66.286 -24.110 1.00 1.11 H new ATOM 0 HB3 ASP A 56 25.871 -66.877 -25.684 1.00 1.11 H new ATOM 938 N ALA A 57 24.193 -69.156 -26.647 1.00 41.33 N ATOM 939 CA ALA A 57 24.171 -69.921 -27.887 1.00 73.53 C ATOM 940 C ALA A 57 22.797 -70.540 -28.126 1.00 43.41 C ATOM 941 O ALA A 57 22.357 -70.676 -29.267 1.00 11.13 O ATOM 942 CB ALA A 57 25.241 -71.003 -27.859 1.00 54.11 C ATOM 0 H ALA A 57 24.601 -69.650 -25.853 1.00 41.33 H new ATOM 0 HA ALA A 57 24.382 -69.238 -28.710 1.00 73.53 H new ATOM 0 HB1 ALA A 57 25.213 -71.567 -28.792 1.00 54.11 H new ATOM 0 HB2 ALA A 57 26.222 -70.542 -27.743 1.00 54.11 H new ATOM 0 HB3 ALA A 57 25.056 -71.677 -27.022 1.00 54.11 H new ATOM 948 N GLY A 58 22.125 -70.913 -27.042 1.00 34.14 N ATOM 949 CA GLY A 58 20.808 -71.513 -27.155 1.00 62.33 C ATOM 950 C GLY A 58 19.731 -70.493 -27.465 1.00 73.23 C ATOM 951 O GLY A 58 18.668 -70.839 -27.981 1.00 72.53 O ATOM 0 H GLY A 58 22.469 -70.811 -26.087 1.00 34.14 H new ATOM 0 HA2 GLY A 58 20.823 -72.270 -27.939 1.00 62.33 H new ATOM 0 HA3 GLY A 58 20.563 -72.023 -26.223 1.00 62.33 H new ATOM 955 N PHE A 59 20.004 -69.232 -27.149 1.00 13.22 N ATOM 956 CA PHE A 59 19.048 -68.158 -27.394 1.00 60.02 C ATOM 957 C PHE A 59 18.666 -68.097 -28.870 1.00 74.12 C ATOM 958 O PHE A 59 17.575 -67.648 -29.222 1.00 3.54 O ATOM 959 CB PHE A 59 19.633 -66.815 -26.951 1.00 74.24 C ATOM 960 CG PHE A 59 18.774 -65.638 -27.315 1.00 74.14 C ATOM 961 CD1 PHE A 59 17.593 -65.388 -26.634 1.00 62.04 C ATOM 962 CD2 PHE A 59 19.146 -64.782 -28.339 1.00 43.02 C ATOM 963 CE1 PHE A 59 16.801 -64.306 -26.967 1.00 15.54 C ATOM 964 CE2 PHE A 59 18.358 -63.698 -28.676 1.00 0.24 C ATOM 965 CZ PHE A 59 17.183 -63.460 -27.989 1.00 41.14 C ATOM 0 H PHE A 59 20.879 -68.928 -26.723 1.00 13.22 H new ATOM 0 HA PHE A 59 18.150 -68.365 -26.812 1.00 60.02 H new ATOM 0 HB2 PHE A 59 19.777 -66.829 -25.871 1.00 74.24 H new ATOM 0 HB3 PHE A 59 20.617 -66.690 -27.402 1.00 74.24 H new ATOM 0 HD1 PHE A 59 17.288 -66.046 -25.834 1.00 62.04 H new ATOM 0 HD2 PHE A 59 20.063 -64.964 -28.880 1.00 43.02 H new ATOM 0 HE1 PHE A 59 15.883 -64.122 -26.428 1.00 15.54 H new ATOM 0 HE2 PHE A 59 18.660 -63.038 -29.475 1.00 0.24 H new ATOM 0 HZ PHE A 59 16.565 -62.614 -28.251 1.00 41.14 H new ATOM 975 N MET A 60 19.572 -68.552 -29.729 1.00 73.42 N ATOM 976 CA MET A 60 19.330 -68.550 -31.167 1.00 74.43 C ATOM 977 C MET A 60 18.419 -69.707 -31.567 1.00 14.22 C ATOM 978 O MET A 60 17.593 -69.577 -32.471 1.00 42.10 O ATOM 979 CB MET A 60 20.653 -68.642 -31.929 1.00 42.31 C ATOM 980 CG MET A 60 20.489 -68.607 -33.440 1.00 15.42 C ATOM 981 SD MET A 60 19.952 -66.994 -34.043 1.00 22.22 S ATOM 982 CE MET A 60 19.909 -67.290 -35.809 1.00 31.43 C ATOM 0 H MET A 60 20.480 -68.927 -29.454 1.00 73.42 H new ATOM 0 HA MET A 60 18.835 -67.614 -31.425 1.00 74.43 H new ATOM 0 HB2 MET A 60 21.297 -67.818 -31.623 1.00 42.31 H new ATOM 0 HB3 MET A 60 21.161 -69.565 -31.648 1.00 42.31 H new ATOM 0 HG2 MET A 60 21.436 -68.870 -33.911 1.00 15.42 H new ATOM 0 HG3 MET A 60 19.764 -69.363 -33.741 1.00 15.42 H new ATOM 0 HE1 MET A 60 19.594 -66.382 -36.323 1.00 31.43 H new ATOM 0 HE2 MET A 60 20.903 -67.576 -36.154 1.00 31.43 H new ATOM 0 HE3 MET A 60 19.205 -68.093 -36.026 1.00 31.43 H new ATOM 992 N LYS A 61 18.574 -70.838 -30.888 1.00 30.33 N ATOM 993 CA LYS A 61 17.765 -72.018 -31.171 1.00 23.15 C ATOM 994 C LYS A 61 16.360 -71.864 -30.599 1.00 34.13 C ATOM 995 O LYS A 61 15.408 -72.464 -31.098 1.00 41.22 O ATOM 996 CB LYS A 61 18.430 -73.268 -30.589 1.00 75.34 C ATOM 997 CG LYS A 61 17.945 -74.563 -31.219 1.00 14.14 C ATOM 998 CD LYS A 61 18.331 -75.770 -30.380 1.00 1.41 C ATOM 999 CE LYS A 61 17.371 -75.971 -29.217 1.00 44.41 C ATOM 1000 NZ LYS A 61 17.852 -77.020 -28.276 1.00 42.21 N ATOM 0 H LYS A 61 19.253 -70.963 -30.137 1.00 30.33 H new ATOM 0 HA LYS A 61 17.688 -72.125 -32.253 1.00 23.15 H new ATOM 0 HB2 LYS A 61 19.509 -73.191 -30.722 1.00 75.34 H new ATOM 0 HB3 LYS A 61 18.243 -73.303 -29.516 1.00 75.34 H new ATOM 0 HG2 LYS A 61 16.862 -74.530 -31.333 1.00 14.14 H new ATOM 0 HG3 LYS A 61 18.368 -74.663 -32.219 1.00 14.14 H new ATOM 0 HD2 LYS A 61 18.338 -76.662 -31.006 1.00 1.41 H new ATOM 0 HD3 LYS A 61 19.344 -75.640 -29.999 1.00 1.41 H new ATOM 0 HE2 LYS A 61 17.249 -75.030 -28.680 1.00 44.41 H new ATOM 0 HE3 LYS A 61 16.389 -76.249 -29.600 1.00 44.41 H new ATOM 0 HZ1 LYS A 61 17.171 -77.127 -27.498 1.00 42.21 H new ATOM 0 HZ2 LYS A 61 17.945 -77.924 -28.782 1.00 42.21 H new ATOM 0 HZ3 LYS A 61 18.777 -76.743 -27.890 1.00 42.21 H new ATOM 1014 N GLN A 62 16.237 -71.056 -29.551 1.00 23.05 N ATOM 1015 CA GLN A 62 14.947 -70.823 -28.912 1.00 60.43 C ATOM 1016 C GLN A 62 13.901 -70.400 -29.938 1.00 72.11 C ATOM 1017 O GLN A 62 12.837 -71.012 -30.044 1.00 4.44 O ATOM 1018 CB GLN A 62 15.077 -69.753 -27.827 1.00 74.31 C ATOM 1019 CG GLN A 62 14.027 -69.866 -26.733 1.00 25.32 C ATOM 1020 CD GLN A 62 12.724 -69.185 -27.101 1.00 43.21 C ATOM 1021 OE1 GLN A 62 11.793 -69.824 -27.591 1.00 71.11 O ATOM 1022 NE2 GLN A 62 12.651 -67.880 -26.867 1.00 5.15 N ATOM 0 H GLN A 62 17.015 -70.552 -29.126 1.00 23.05 H new ATOM 0 HA GLN A 62 14.623 -71.757 -28.453 1.00 60.43 H new ATOM 0 HB2 GLN A 62 16.067 -69.822 -27.377 1.00 74.31 H new ATOM 0 HB3 GLN A 62 15.004 -68.768 -28.289 1.00 74.31 H new ATOM 0 HG2 GLN A 62 13.836 -70.919 -26.526 1.00 25.32 H new ATOM 0 HG3 GLN A 62 14.416 -69.426 -25.815 1.00 25.32 H new ATOM 0 HE21 GLN A 62 13.447 -67.390 -26.459 1.00 5.15 H new ATOM 0 HE22 GLN A 62 11.799 -67.368 -27.095 1.00 5.15 H new ATOM 1031 N TYR A 63 14.209 -69.351 -30.692 1.00 2.55 N ATOM 1032 CA TYR A 63 13.294 -68.844 -31.707 1.00 43.43 C ATOM 1033 C TYR A 63 13.121 -69.854 -32.838 1.00 3.44 C ATOM 1034 O TYR A 63 12.026 -70.024 -33.371 1.00 32.54 O ATOM 1035 CB TYR A 63 13.807 -67.516 -32.269 1.00 32.15 C ATOM 1036 CG TYR A 63 13.868 -66.408 -31.242 1.00 25.14 C ATOM 1037 CD1 TYR A 63 14.962 -65.554 -31.178 1.00 3.50 C ATOM 1038 CD2 TYR A 63 12.834 -66.216 -30.335 1.00 32.14 C ATOM 1039 CE1 TYR A 63 15.024 -64.540 -30.241 1.00 75.11 C ATOM 1040 CE2 TYR A 63 12.886 -65.204 -29.395 1.00 73.53 C ATOM 1041 CZ TYR A 63 13.983 -64.369 -29.352 1.00 74.34 C ATOM 1042 OH TYR A 63 14.039 -63.361 -28.417 1.00 72.33 O ATOM 0 H TYR A 63 15.086 -68.835 -30.619 1.00 2.55 H new ATOM 0 HA TYR A 63 12.324 -68.682 -31.237 1.00 43.43 H new ATOM 0 HB2 TYR A 63 14.802 -67.668 -32.687 1.00 32.15 H new ATOM 0 HB3 TYR A 63 13.161 -67.204 -33.090 1.00 32.15 H new ATOM 0 HD1 TYR A 63 15.778 -65.685 -31.873 1.00 3.50 H new ATOM 0 HD2 TYR A 63 11.974 -66.869 -30.365 1.00 32.14 H new ATOM 0 HE1 TYR A 63 15.882 -63.885 -30.205 1.00 75.11 H new ATOM 0 HE2 TYR A 63 12.072 -65.068 -28.698 1.00 73.53 H new ATOM 0 HH TYR A 63 14.909 -63.381 -27.966 1.00 72.33 H new ATOM 1052 N GLY A 64 14.213 -70.522 -33.198 1.00 1.31 N ATOM 1053 CA GLY A 64 14.162 -71.507 -34.262 1.00 24.10 C ATOM 1054 C GLY A 64 13.975 -70.877 -35.628 1.00 11.44 C ATOM 1055 O GLY A 64 14.524 -69.812 -35.907 1.00 3.54 O ATOM 0 H GLY A 64 15.131 -70.398 -32.772 1.00 1.31 H new ATOM 0 HA2 GLY A 64 15.083 -72.090 -34.257 1.00 24.10 H new ATOM 0 HA3 GLY A 64 13.344 -72.202 -34.071 1.00 24.10 H new ATOM 1059 N GLU A 65 13.198 -71.537 -36.481 1.00 43.31 N ATOM 1060 CA GLU A 65 12.943 -71.034 -37.826 1.00 32.41 C ATOM 1061 C GLU A 65 11.561 -70.394 -37.914 1.00 55.10 C ATOM 1062 O GLU A 65 10.704 -70.624 -37.062 1.00 34.45 O ATOM 1063 CB GLU A 65 13.058 -72.167 -38.848 1.00 20.30 C ATOM 1064 CG GLU A 65 12.026 -73.266 -38.657 1.00 63.33 C ATOM 1065 CD GLU A 65 11.778 -74.060 -39.925 1.00 64.22 C ATOM 1066 OE1 GLU A 65 12.754 -74.606 -40.483 1.00 13.20 O ATOM 1067 OE2 GLU A 65 10.610 -74.136 -40.360 1.00 3.22 O ATOM 0 H GLU A 65 12.735 -72.420 -36.265 1.00 43.31 H new ATOM 0 HA GLU A 65 13.692 -70.274 -38.050 1.00 32.41 H new ATOM 0 HB2 GLU A 65 12.954 -71.752 -39.851 1.00 20.30 H new ATOM 0 HB3 GLU A 65 14.055 -72.602 -38.785 1.00 20.30 H new ATOM 0 HG2 GLU A 65 12.361 -73.941 -37.870 1.00 63.33 H new ATOM 0 HG3 GLU A 65 11.088 -72.824 -38.320 1.00 63.33 H new TER 1074 GLU A 65