USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 866 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 78 THR OG1 : rot 174:sc= -3.28! USER MOD Set 1.2: A 80 GLN : amide:sc= -0.0148 K(o=-5.6,f=-0.89) USER MOD Set 1.3: A 81 GLN : amide:sc= -2.31! K(o=-5.6!,f=-0.89) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 47 SER OG : rot 180:sc= -0.0468 USER MOD Set 3.1: A 24 LYS NZ :NH3+ 146:sc= -0.178 (180deg=-1.37!) USER MOD Set 3.2: A 94 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.075 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-7.4!) USER MOD Single : A 26 GLN : amide:sc=-0.00324 X(o=-0.0032,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= -0.885 (180deg=-3.44!) USER MOD Single : A 29 SER OG : rot 44:sc= 0.304 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-1.5) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.35) USER MOD Single : A 70 ASN : amide:sc= -2.79! C(o=-2.8!,f=-9.1!) USER MOD Single : A 73 ASN : amide:sc= -1.54 K(o=-1.5,f=-7.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.457 K(o=-0.46,f=-3.1!) USER MOD Single : A 89 GLN : amide:sc= -2.43 K(o=-2.4,f=-0.61) USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 98 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.7!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.59 K(o=-1.6,f=-11!) USER MOD Single : A 102 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 105 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 107 SER OG : rot 60:sc= 0.856 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.00029) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.087 5.766 -4.872 1.00 0.00 N ATOM 2 CA GLY A 1 -35.337 5.058 -3.628 1.00 0.00 C ATOM 3 C GLY A 1 -34.290 5.417 -2.572 1.00 0.00 C ATOM 4 O GLY A 1 -33.675 6.481 -2.639 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.954 6.254 -5.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.330 6.464 -4.728 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.798 5.088 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.332 5.306 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.323 3.983 -3.808 1.00 0.00 H new ATOM 8 N SER A 2 -34.119 4.510 -1.622 1.00 0.00 N ATOM 9 CA SER A 2 -33.157 4.718 -0.553 1.00 0.00 C ATOM 10 C SER A 2 -33.155 3.514 0.391 1.00 0.00 C ATOM 11 O SER A 2 -33.778 3.551 1.451 1.00 0.00 O ATOM 12 CB SER A 2 -33.464 6.001 0.223 1.00 0.00 C ATOM 13 OG SER A 2 -32.780 7.128 -0.317 1.00 0.00 O ATOM 0 H SER A 2 -34.630 3.629 -1.570 1.00 0.00 H new ATOM 0 HA SER A 2 -32.168 4.823 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.538 6.187 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.179 5.870 1.267 1.00 0.00 H new ATOM 0 HG SER A 2 -32.686 7.020 -1.286 1.00 0.00 H new ATOM 19 N SER A 3 -32.447 2.476 -0.028 1.00 0.00 N ATOM 20 CA SER A 3 -32.356 1.263 0.767 1.00 0.00 C ATOM 21 C SER A 3 -30.936 1.101 1.313 1.00 0.00 C ATOM 22 O SER A 3 -29.996 1.707 0.800 1.00 0.00 O ATOM 23 CB SER A 3 -32.752 0.034 -0.055 1.00 0.00 C ATOM 24 OG SER A 3 -33.357 -0.974 0.750 1.00 0.00 O ATOM 0 H SER A 3 -31.931 2.450 -0.907 1.00 0.00 H new ATOM 0 HA SER A 3 -33.052 1.348 1.601 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.444 0.332 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.868 -0.375 -0.545 1.00 0.00 H new ATOM 0 HG SER A 3 -33.597 -1.741 0.189 1.00 0.00 H new ATOM 30 N GLY A 4 -30.823 0.280 2.347 1.00 0.00 N ATOM 31 CA GLY A 4 -29.534 0.030 2.968 1.00 0.00 C ATOM 32 C GLY A 4 -28.703 -0.947 2.133 1.00 0.00 C ATOM 33 O GLY A 4 -28.981 -1.152 0.953 1.00 0.00 O ATOM 0 H GLY A 4 -31.604 -0.221 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.993 0.969 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.681 -0.375 3.969 1.00 0.00 H new ATOM 37 N SER A 5 -27.701 -1.524 2.780 1.00 0.00 N ATOM 38 CA SER A 5 -26.828 -2.475 2.112 1.00 0.00 C ATOM 39 C SER A 5 -26.376 -3.553 3.099 1.00 0.00 C ATOM 40 O SER A 5 -25.672 -3.260 4.065 1.00 0.00 O ATOM 41 CB SER A 5 -25.614 -1.772 1.501 1.00 0.00 C ATOM 42 OG SER A 5 -25.238 -2.347 0.252 1.00 0.00 O ATOM 0 H SER A 5 -27.474 -1.352 3.759 1.00 0.00 H new ATOM 0 HA SER A 5 -27.388 -2.944 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.840 -0.715 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.775 -1.829 2.194 1.00 0.00 H new ATOM 0 HG SER A 5 -24.461 -1.870 -0.107 1.00 0.00 H new ATOM 48 N SER A 6 -26.799 -4.778 2.823 1.00 0.00 N ATOM 49 CA SER A 6 -26.447 -5.901 3.675 1.00 0.00 C ATOM 50 C SER A 6 -24.939 -6.153 3.611 1.00 0.00 C ATOM 51 O SER A 6 -24.315 -5.949 2.571 1.00 0.00 O ATOM 52 CB SER A 6 -27.213 -7.161 3.269 1.00 0.00 C ATOM 53 OG SER A 6 -26.651 -7.779 2.115 1.00 0.00 O ATOM 0 H SER A 6 -27.382 -5.017 2.021 1.00 0.00 H new ATOM 0 HA SER A 6 -26.725 -5.654 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.210 -7.870 4.097 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.254 -6.905 3.072 1.00 0.00 H new ATOM 0 HG SER A 6 -27.167 -8.581 1.889 1.00 0.00 H new ATOM 59 N GLY A 7 -24.397 -6.592 4.738 1.00 0.00 N ATOM 60 CA GLY A 7 -22.974 -6.874 4.823 1.00 0.00 C ATOM 61 C GLY A 7 -22.657 -7.729 6.052 1.00 0.00 C ATOM 62 O GLY A 7 -23.428 -8.618 6.409 1.00 0.00 O ATOM 0 H GLY A 7 -24.917 -6.759 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.648 -7.392 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.417 -5.939 4.873 1.00 0.00 H new ATOM 66 N GLY A 8 -21.521 -7.429 6.664 1.00 0.00 N ATOM 67 CA GLY A 8 -21.093 -8.159 7.845 1.00 0.00 C ATOM 68 C GLY A 8 -19.929 -9.097 7.518 1.00 0.00 C ATOM 69 O GLY A 8 -20.055 -10.315 7.641 1.00 0.00 O ATOM 0 H GLY A 8 -20.884 -6.691 6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.791 -7.456 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -21.928 -8.735 8.243 1.00 0.00 H new ATOM 73 N GLU A 9 -18.822 -8.494 7.108 1.00 0.00 N ATOM 74 CA GLU A 9 -17.637 -9.260 6.763 1.00 0.00 C ATOM 75 C GLU A 9 -16.687 -9.337 7.960 1.00 0.00 C ATOM 76 O GLU A 9 -16.293 -8.310 8.511 1.00 0.00 O ATOM 77 CB GLU A 9 -16.934 -8.662 5.542 1.00 0.00 C ATOM 78 CG GLU A 9 -16.149 -9.732 4.783 1.00 0.00 C ATOM 79 CD GLU A 9 -16.006 -9.362 3.305 1.00 0.00 C ATOM 80 OE1 GLU A 9 -15.585 -8.214 3.046 1.00 0.00 O ATOM 81 OE2 GLU A 9 -16.320 -10.235 2.468 1.00 0.00 O ATOM 0 H GLU A 9 -18.721 -7.484 7.007 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.946 -10.273 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.671 -8.208 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.259 -7.867 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.162 -9.849 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.656 -10.693 4.874 1.00 0.00 H new ATOM 88 N ARG A 10 -16.347 -10.564 8.326 1.00 0.00 N ATOM 89 CA ARG A 10 -15.450 -10.788 9.448 1.00 0.00 C ATOM 90 C ARG A 10 -14.029 -10.354 9.086 1.00 0.00 C ATOM 91 O ARG A 10 -13.614 -10.471 7.934 1.00 0.00 O ATOM 92 CB ARG A 10 -15.437 -12.262 9.856 1.00 0.00 C ATOM 93 CG ARG A 10 -16.647 -12.600 10.731 1.00 0.00 C ATOM 94 CD ARG A 10 -16.554 -14.030 11.267 1.00 0.00 C ATOM 95 NE ARG A 10 -17.005 -14.073 12.675 1.00 0.00 N ATOM 96 CZ ARG A 10 -17.125 -15.199 13.392 1.00 0.00 C ATOM 97 NH1 ARG A 10 -16.827 -16.381 12.836 1.00 0.00 N ATOM 98 NH2 ARG A 10 -17.542 -15.142 14.664 1.00 0.00 N ATOM 0 H ARG A 10 -16.676 -11.413 7.866 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.813 -10.193 10.287 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.441 -12.890 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.518 -12.485 10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.705 -11.899 11.564 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.563 -12.484 10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.168 -14.695 10.660 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.527 -14.388 11.194 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.239 -13.190 13.129 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.509 -16.423 11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.918 -17.238 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.768 -14.242 15.087 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.633 -15.999 15.210 1.00 0.00 H new ATOM 112 N ARG A 11 -13.321 -9.860 10.092 1.00 0.00 N ATOM 113 CA ARG A 11 -11.954 -9.408 9.894 1.00 0.00 C ATOM 114 C ARG A 11 -11.126 -10.500 9.215 1.00 0.00 C ATOM 115 O ARG A 11 -11.130 -11.650 9.654 1.00 0.00 O ATOM 116 CB ARG A 11 -11.300 -9.034 11.226 1.00 0.00 C ATOM 117 CG ARG A 11 -11.521 -10.129 12.271 1.00 0.00 C ATOM 118 CD ARG A 11 -12.692 -9.778 13.192 1.00 0.00 C ATOM 119 NE ARG A 11 -12.304 -9.986 14.605 1.00 0.00 N ATOM 120 CZ ARG A 11 -11.371 -9.265 15.241 1.00 0.00 C ATOM 121 NH1 ARG A 11 -10.724 -8.286 14.595 1.00 0.00 N ATOM 122 NH2 ARG A 11 -11.084 -9.523 16.525 1.00 0.00 N ATOM 0 H ARG A 11 -13.668 -9.763 11.046 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.986 -8.524 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.231 -8.877 11.079 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.714 -8.093 11.587 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.717 -11.078 11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.615 -10.261 12.862 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.989 -8.741 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.555 -10.397 12.948 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.776 -10.724 15.127 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.942 -8.089 13.618 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.014 -7.738 15.080 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.576 -10.268 17.018 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.374 -8.974 17.009 1.00 0.00 H new ATOM 136 N LYS A 12 -10.436 -10.104 8.156 1.00 0.00 N ATOM 137 CA LYS A 12 -9.605 -11.035 7.413 1.00 0.00 C ATOM 138 C LYS A 12 -8.924 -10.296 6.259 1.00 0.00 C ATOM 139 O LYS A 12 -9.446 -9.299 5.762 1.00 0.00 O ATOM 140 CB LYS A 12 -10.425 -12.247 6.967 1.00 0.00 C ATOM 141 CG LYS A 12 -9.979 -13.512 7.704 1.00 0.00 C ATOM 142 CD LYS A 12 -11.140 -14.498 7.853 1.00 0.00 C ATOM 143 CE LYS A 12 -11.396 -14.824 9.326 1.00 0.00 C ATOM 144 NZ LYS A 12 -12.348 -15.950 9.449 1.00 0.00 N ATOM 0 H LYS A 12 -10.436 -9.150 7.795 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.814 -11.431 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.483 -12.065 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.314 -12.390 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.162 -13.986 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.594 -13.247 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.041 -14.075 7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.916 -15.415 7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.457 -15.079 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.794 -13.946 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.511 -16.159 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.249 -15.693 8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.954 -16.791 8.981 1.00 0.00 H new ATOM 158 N ASP A 13 -7.769 -10.812 5.867 1.00 0.00 N ATOM 159 CA ASP A 13 -7.011 -10.213 4.782 1.00 0.00 C ATOM 160 C ASP A 13 -6.369 -11.320 3.943 1.00 0.00 C ATOM 161 O ASP A 13 -5.807 -12.270 4.487 1.00 0.00 O ATOM 162 CB ASP A 13 -5.893 -9.318 5.319 1.00 0.00 C ATOM 163 CG ASP A 13 -4.994 -9.967 6.373 1.00 0.00 C ATOM 164 OD1 ASP A 13 -5.476 -10.115 7.517 1.00 0.00 O ATOM 165 OD2 ASP A 13 -3.845 -10.302 6.012 1.00 0.00 O ATOM 0 H ASP A 13 -7.339 -11.639 6.282 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.696 -9.613 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.273 -8.996 4.483 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.340 -8.421 5.747 1.00 0.00 H new ATOM 170 N ARG A 14 -6.473 -11.161 2.632 1.00 0.00 N ATOM 171 CA ARG A 14 -5.909 -12.134 1.712 1.00 0.00 C ATOM 172 C ARG A 14 -4.385 -12.162 1.838 1.00 0.00 C ATOM 173 O ARG A 14 -3.772 -11.168 2.224 1.00 0.00 O ATOM 174 CB ARG A 14 -6.289 -11.810 0.266 1.00 0.00 C ATOM 175 CG ARG A 14 -7.483 -12.652 -0.189 1.00 0.00 C ATOM 176 CD ARG A 14 -8.049 -12.131 -1.512 1.00 0.00 C ATOM 177 NE ARG A 14 -9.235 -11.284 -1.256 1.00 0.00 N ATOM 178 CZ ARG A 14 -9.922 -10.644 -2.213 1.00 0.00 C ATOM 179 NH1 ARG A 14 -9.544 -10.751 -3.494 1.00 0.00 N ATOM 180 NH2 ARG A 14 -10.986 -9.897 -1.888 1.00 0.00 N ATOM 0 H ARG A 14 -6.940 -10.372 2.185 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.316 -13.111 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.532 -10.751 0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.437 -11.997 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.176 -13.692 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.259 -12.632 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.289 -11.556 -2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.321 -12.968 -2.155 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.549 -11.181 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.734 -11.319 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.067 -10.264 -4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.273 -9.815 -0.913 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.509 -9.410 -2.616 1.00 0.00 H new ATOM 194 N PRO A 15 -3.801 -13.342 1.496 1.00 0.00 N ATOM 195 CA PRO A 15 -2.360 -13.513 1.566 1.00 0.00 C ATOM 196 C PRO A 15 -1.665 -12.794 0.408 1.00 0.00 C ATOM 197 O PRO A 15 -0.473 -12.500 0.481 1.00 0.00 O ATOM 198 CB PRO A 15 -2.141 -15.017 1.549 1.00 0.00 C ATOM 199 CG PRO A 15 -3.425 -15.619 1.003 1.00 0.00 C ATOM 200 CD PRO A 15 -4.496 -14.541 1.034 1.00 0.00 C ATOM 0 HA PRO A 15 -1.927 -13.071 2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.289 -15.281 0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.929 -15.392 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.275 -15.979 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.729 -16.477 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.934 -14.390 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.310 -14.811 1.707 1.00 0.00 H new ATOM 208 N TYR A 16 -2.441 -12.531 -0.633 1.00 0.00 N ATOM 209 CA TYR A 16 -1.915 -11.852 -1.805 1.00 0.00 C ATOM 210 C TYR A 16 -1.165 -10.578 -1.410 1.00 0.00 C ATOM 211 O TYR A 16 0.057 -10.590 -1.273 1.00 0.00 O ATOM 212 CB TYR A 16 -3.130 -11.472 -2.653 1.00 0.00 C ATOM 213 CG TYR A 16 -3.634 -12.597 -3.559 1.00 0.00 C ATOM 214 CD1 TYR A 16 -4.512 -13.540 -3.065 1.00 0.00 C ATOM 215 CD2 TYR A 16 -3.210 -12.670 -4.870 1.00 0.00 C ATOM 216 CE1 TYR A 16 -4.986 -14.599 -3.917 1.00 0.00 C ATOM 217 CE2 TYR A 16 -3.684 -13.729 -5.723 1.00 0.00 C ATOM 218 CZ TYR A 16 -4.548 -14.642 -5.204 1.00 0.00 C ATOM 219 OH TYR A 16 -4.996 -15.642 -6.010 1.00 0.00 O ATOM 0 H TYR A 16 -3.430 -12.776 -0.689 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.217 -12.495 -2.340 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.939 -11.162 -1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.875 -10.610 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.844 -13.483 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.522 -11.933 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.674 -15.343 -3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.361 -13.797 -6.751 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.601 -15.546 -6.901 1.00 0.00 H new ATOM 229 N VAL A 17 -1.929 -9.509 -1.240 1.00 0.00 N ATOM 230 CA VAL A 17 -1.352 -8.229 -0.863 1.00 0.00 C ATOM 231 C VAL A 17 -2.294 -7.516 0.108 1.00 0.00 C ATOM 232 O VAL A 17 -3.510 -7.694 0.043 1.00 0.00 O ATOM 233 CB VAL A 17 -1.046 -7.405 -2.115 1.00 0.00 C ATOM 234 CG1 VAL A 17 -2.324 -6.794 -2.695 1.00 0.00 C ATOM 235 CG2 VAL A 17 -0.007 -6.322 -1.818 1.00 0.00 C ATOM 0 H VAL A 17 -2.942 -9.503 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.403 -8.374 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.626 -8.077 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.079 -6.213 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.019 -7.590 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.786 -6.143 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.192 -5.751 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.388 -5.655 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.916 -6.788 -1.472 1.00 0.00 H new ATOM 245 N GLU A 18 -1.698 -6.722 0.985 1.00 0.00 N ATOM 246 CA GLU A 18 -2.470 -5.980 1.968 1.00 0.00 C ATOM 247 C GLU A 18 -3.653 -5.280 1.296 1.00 0.00 C ATOM 248 O GLU A 18 -3.474 -4.287 0.592 1.00 0.00 O ATOM 249 CB GLU A 18 -1.588 -4.974 2.711 1.00 0.00 C ATOM 250 CG GLU A 18 -0.258 -5.609 3.121 1.00 0.00 C ATOM 251 CD GLU A 18 0.080 -5.283 4.577 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.869 -5.268 5.390 1.00 0.00 O ATOM 253 OE2 GLU A 18 1.280 -5.057 4.844 1.00 0.00 O ATOM 0 H GLU A 18 -0.690 -6.576 1.036 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.860 -6.685 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.401 -4.109 2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.110 -4.611 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.311 -6.690 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.538 -5.248 2.470 1.00 0.00 H new ATOM 260 N GLU A 19 -4.836 -5.826 1.537 1.00 0.00 N ATOM 261 CA GLU A 19 -6.049 -5.266 0.964 1.00 0.00 C ATOM 262 C GLU A 19 -6.008 -3.738 1.024 1.00 0.00 C ATOM 263 O GLU A 19 -5.258 -3.164 1.812 1.00 0.00 O ATOM 264 CB GLU A 19 -7.291 -5.810 1.672 1.00 0.00 C ATOM 265 CG GLU A 19 -7.803 -7.077 0.985 1.00 0.00 C ATOM 266 CD GLU A 19 -9.156 -6.829 0.315 1.00 0.00 C ATOM 267 OE1 GLU A 19 -10.051 -6.312 1.017 1.00 0.00 O ATOM 268 OE2 GLU A 19 -9.265 -7.163 -0.885 1.00 0.00 O ATOM 0 H GLU A 19 -4.981 -6.650 2.121 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.106 -5.567 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.054 -6.027 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.074 -5.052 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.080 -7.409 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.897 -7.879 1.717 1.00 0.00 H new ATOM 275 N PRO A 20 -6.846 -3.106 0.159 1.00 0.00 N ATOM 276 CA PRO A 20 -6.913 -1.655 0.107 1.00 0.00 C ATOM 277 C PRO A 20 -7.678 -1.098 1.309 1.00 0.00 C ATOM 278 O PRO A 20 -8.502 -1.793 1.901 1.00 0.00 O ATOM 279 CB PRO A 20 -7.582 -1.340 -1.221 1.00 0.00 C ATOM 280 CG PRO A 20 -8.281 -2.620 -1.650 1.00 0.00 C ATOM 281 CD PRO A 20 -7.748 -3.753 -0.788 1.00 0.00 C ATOM 0 HA PRO A 20 -5.931 -1.186 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.295 -0.522 -1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.848 -1.028 -1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.360 -2.524 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.094 -2.822 -2.705 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.556 -4.273 -0.273 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.224 -4.496 -1.390 1.00 0.00 H new ATOM 289 N ARG A 21 -7.378 0.151 1.633 1.00 0.00 N ATOM 290 CA ARG A 21 -8.027 0.810 2.754 1.00 0.00 C ATOM 291 C ARG A 21 -8.515 2.200 2.342 1.00 0.00 C ATOM 292 O ARG A 21 -8.003 2.785 1.388 1.00 0.00 O ATOM 293 CB ARG A 21 -7.072 0.944 3.942 1.00 0.00 C ATOM 294 CG ARG A 21 -6.071 2.078 3.716 1.00 0.00 C ATOM 295 CD ARG A 21 -4.647 1.626 4.047 1.00 0.00 C ATOM 296 NE ARG A 21 -4.350 0.348 3.364 1.00 0.00 N ATOM 297 CZ ARG A 21 -3.404 -0.515 3.761 1.00 0.00 C ATOM 298 NH1 ARG A 21 -2.659 -0.241 4.841 1.00 0.00 N ATOM 299 NH2 ARG A 21 -3.204 -1.651 3.080 1.00 0.00 N ATOM 0 H ARG A 21 -6.694 0.724 1.139 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.877 0.196 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.642 1.133 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.537 0.006 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.119 2.409 2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.339 2.933 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.933 2.389 3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.536 1.506 5.125 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.900 0.108 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.812 0.624 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.939 -0.897 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.772 -1.860 2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.484 -2.307 3.383 1.00 0.00 H new ATOM 313 N HIS A 22 -9.500 2.690 3.081 1.00 0.00 N ATOM 314 CA HIS A 22 -10.063 4.000 2.805 1.00 0.00 C ATOM 315 C HIS A 22 -9.762 4.944 3.970 1.00 0.00 C ATOM 316 O HIS A 22 -10.409 4.873 5.014 1.00 0.00 O ATOM 317 CB HIS A 22 -11.558 3.895 2.497 1.00 0.00 C ATOM 318 CG HIS A 22 -11.888 2.943 1.373 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.317 1.687 1.262 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.736 3.075 0.312 1.00 0.00 C ATOM 321 CE1 HIS A 22 -11.806 1.099 0.180 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.685 1.961 -0.408 1.00 0.00 N ATOM 0 H HIS A 22 -9.922 2.202 3.871 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.597 4.420 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.082 3.574 3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.937 4.885 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.346 3.940 0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.553 0.111 -0.174 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.215 1.779 -1.260 1.00 0.00 H new ATOM 330 N VAL A 23 -8.780 5.807 3.754 1.00 0.00 N ATOM 331 CA VAL A 23 -8.386 6.764 4.773 1.00 0.00 C ATOM 332 C VAL A 23 -9.057 8.110 4.490 1.00 0.00 C ATOM 333 O VAL A 23 -8.925 8.655 3.396 1.00 0.00 O ATOM 334 CB VAL A 23 -6.861 6.859 4.840 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.423 8.065 5.673 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.254 5.565 5.388 1.00 0.00 C ATOM 0 H VAL A 23 -8.245 5.863 2.887 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.721 6.434 5.756 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.490 7.000 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.334 8.109 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.810 8.979 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.812 7.968 6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.169 5.659 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.637 5.380 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.524 4.733 4.738 1.00 0.00 H new ATOM 346 N LYS A 24 -9.762 8.606 5.496 1.00 0.00 N ATOM 347 CA LYS A 24 -10.454 9.878 5.369 1.00 0.00 C ATOM 348 C LYS A 24 -9.493 11.014 5.723 1.00 0.00 C ATOM 349 O LYS A 24 -8.497 10.798 6.412 1.00 0.00 O ATOM 350 CB LYS A 24 -11.737 9.875 6.202 1.00 0.00 C ATOM 351 CG LYS A 24 -12.975 9.828 5.304 1.00 0.00 C ATOM 352 CD LYS A 24 -13.609 11.213 5.171 1.00 0.00 C ATOM 353 CE LYS A 24 -15.096 11.105 4.826 1.00 0.00 C ATOM 354 NZ LYS A 24 -15.387 11.810 3.557 1.00 0.00 N ATOM 0 H LYS A 24 -9.869 8.151 6.402 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.771 10.038 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.737 9.016 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.771 10.767 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.699 9.454 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.702 9.129 5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.488 11.763 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.093 11.780 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.380 10.056 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.694 11.532 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.140 11.308 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.696 12.781 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.529 11.837 2.970 1.00 0.00 H new ATOM 368 N VAL A 25 -9.825 12.201 5.236 1.00 0.00 N ATOM 369 CA VAL A 25 -9.003 13.371 5.492 1.00 0.00 C ATOM 370 C VAL A 25 -9.900 14.533 5.925 1.00 0.00 C ATOM 371 O VAL A 25 -10.936 14.784 5.312 1.00 0.00 O ATOM 372 CB VAL A 25 -8.156 13.697 4.260 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.156 14.814 4.562 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.443 12.447 3.740 1.00 0.00 C ATOM 0 H VAL A 25 -10.652 12.377 4.666 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.305 13.176 6.306 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.826 14.051 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.567 15.026 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.694 15.713 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.493 14.501 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.848 12.705 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.791 12.050 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.182 11.694 3.467 1.00 0.00 H new ATOM 384 N GLN A 26 -9.468 15.212 6.978 1.00 0.00 N ATOM 385 CA GLN A 26 -10.218 16.341 7.500 1.00 0.00 C ATOM 386 C GLN A 26 -9.485 17.650 7.198 1.00 0.00 C ATOM 387 O GLN A 26 -8.991 18.312 8.109 1.00 0.00 O ATOM 388 CB GLN A 26 -10.469 16.186 9.001 1.00 0.00 C ATOM 389 CG GLN A 26 -11.947 15.908 9.284 1.00 0.00 C ATOM 390 CD GLN A 26 -12.411 16.643 10.543 1.00 0.00 C ATOM 391 OE1 GLN A 26 -12.115 16.258 11.663 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.154 17.719 10.299 1.00 0.00 N ATOM 0 H GLN A 26 -8.608 15.001 7.484 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.188 16.368 7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.860 15.371 9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.160 17.093 9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.550 16.222 8.432 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.102 14.836 9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.365 17.986 9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.513 18.277 11.074 1.00 0.00 H new ATOM 401 N LYS A 27 -9.439 17.984 5.917 1.00 0.00 N ATOM 402 CA LYS A 27 -8.775 19.202 5.485 1.00 0.00 C ATOM 403 C LYS A 27 -9.402 20.401 6.199 1.00 0.00 C ATOM 404 O LYS A 27 -8.877 20.872 7.207 1.00 0.00 O ATOM 405 CB LYS A 27 -8.800 19.313 3.959 1.00 0.00 C ATOM 406 CG LYS A 27 -7.386 19.471 3.397 1.00 0.00 C ATOM 407 CD LYS A 27 -6.833 18.128 2.918 1.00 0.00 C ATOM 408 CE LYS A 27 -6.546 18.158 1.415 1.00 0.00 C ATOM 409 NZ LYS A 27 -7.106 16.957 0.756 1.00 0.00 N ATOM 0 H LYS A 27 -9.851 17.432 5.164 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.721 19.181 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.267 18.424 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.410 20.166 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.397 20.180 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.731 19.886 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.918 17.892 3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.548 17.336 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.978 19.057 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.470 18.205 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.342 16.431 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.558 16.349 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.812 17.246 0.050 1.00 0.00 H new ATOM 423 N GLY A 28 -10.516 20.860 5.649 1.00 0.00 N ATOM 424 CA GLY A 28 -11.220 21.995 6.222 1.00 0.00 C ATOM 425 C GLY A 28 -10.807 23.299 5.537 1.00 0.00 C ATOM 426 O GLY A 28 -11.610 23.923 4.845 1.00 0.00 O ATOM 0 H GLY A 28 -10.949 20.467 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.295 21.850 6.118 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.008 22.058 7.289 1.00 0.00 H new ATOM 430 N SER A 29 -9.554 23.672 5.753 1.00 0.00 N ATOM 431 CA SER A 29 -9.024 24.891 5.164 1.00 0.00 C ATOM 432 C SER A 29 -7.495 24.879 5.224 1.00 0.00 C ATOM 433 O SER A 29 -6.871 25.913 5.455 1.00 0.00 O ATOM 434 CB SER A 29 -9.573 26.129 5.875 1.00 0.00 C ATOM 435 OG SER A 29 -10.669 26.707 5.171 1.00 0.00 O ATOM 0 H SER A 29 -8.890 23.152 6.327 1.00 0.00 H new ATOM 0 HA SER A 29 -9.340 24.933 4.122 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.891 25.858 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.779 26.869 5.980 1.00 0.00 H new ATOM 0 HG SER A 29 -11.274 25.998 4.868 1.00 0.00 H new ATOM 441 N GLU A 30 -6.936 23.696 5.012 1.00 0.00 N ATOM 442 CA GLU A 30 -5.492 23.536 5.038 1.00 0.00 C ATOM 443 C GLU A 30 -5.048 22.549 3.957 1.00 0.00 C ATOM 444 O GLU A 30 -5.855 21.769 3.453 1.00 0.00 O ATOM 445 CB GLU A 30 -5.016 23.085 6.421 1.00 0.00 C ATOM 446 CG GLU A 30 -4.805 24.286 7.346 1.00 0.00 C ATOM 447 CD GLU A 30 -3.316 24.608 7.493 1.00 0.00 C ATOM 448 OE1 GLU A 30 -2.646 23.864 8.241 1.00 0.00 O ATOM 449 OE2 GLU A 30 -2.883 25.592 6.855 1.00 0.00 O ATOM 0 H GLU A 30 -7.457 22.840 4.822 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.035 24.503 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.749 22.408 6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.085 22.527 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.331 25.154 6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.234 24.075 8.326 1.00 0.00 H new ATOM 456 N PRO A 31 -3.731 22.617 3.623 1.00 0.00 N ATOM 457 CA PRO A 31 -3.170 21.739 2.610 1.00 0.00 C ATOM 458 C PRO A 31 -2.995 20.319 3.152 1.00 0.00 C ATOM 459 O PRO A 31 -3.137 20.086 4.351 1.00 0.00 O ATOM 460 CB PRO A 31 -1.855 22.389 2.211 1.00 0.00 C ATOM 461 CG PRO A 31 -1.506 23.349 3.337 1.00 0.00 C ATOM 462 CD PRO A 31 -2.746 23.528 4.198 1.00 0.00 C ATOM 0 HA PRO A 31 -3.822 21.625 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.073 21.641 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.953 22.918 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.682 22.956 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.179 24.308 2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.543 23.284 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.099 24.559 4.175 1.00 0.00 H new ATOM 470 N LEU A 32 -2.688 19.406 2.241 1.00 0.00 N ATOM 471 CA LEU A 32 -2.493 18.015 2.613 1.00 0.00 C ATOM 472 C LEU A 32 -1.098 17.845 3.218 1.00 0.00 C ATOM 473 O LEU A 32 -0.958 17.351 4.336 1.00 0.00 O ATOM 474 CB LEU A 32 -2.760 17.099 1.417 1.00 0.00 C ATOM 475 CG LEU A 32 -2.973 15.619 1.741 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.190 15.425 2.648 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.074 14.786 0.461 1.00 0.00 C ATOM 0 H LEU A 32 -2.570 19.603 1.247 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.211 17.720 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.642 17.467 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.921 17.182 0.726 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.102 15.262 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.318 14.364 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.039 15.968 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.081 15.804 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.225 13.738 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.915 15.137 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.153 14.889 -0.113 1.00 0.00 H new ATOM 489 N GLY A 33 -0.100 18.264 2.453 1.00 0.00 N ATOM 490 CA GLY A 33 1.279 18.164 2.900 1.00 0.00 C ATOM 491 C GLY A 33 1.805 16.737 2.739 1.00 0.00 C ATOM 492 O GLY A 33 2.060 16.050 3.727 1.00 0.00 O ATOM 0 H GLY A 33 -0.219 18.673 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.901 18.852 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.349 18.466 3.945 1.00 0.00 H new ATOM 496 N ILE A 34 1.953 16.333 1.485 1.00 0.00 N ATOM 497 CA ILE A 34 2.445 15.000 1.182 1.00 0.00 C ATOM 498 C ILE A 34 3.116 15.009 -0.193 1.00 0.00 C ATOM 499 O ILE A 34 2.748 15.797 -1.062 1.00 0.00 O ATOM 500 CB ILE A 34 1.319 13.971 1.309 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.154 14.316 0.379 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.868 13.829 2.764 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.142 13.162 -0.580 1.00 0.00 C ATOM 0 H ILE A 34 1.741 16.905 0.668 1.00 0.00 H new ATOM 0 HA ILE A 34 3.203 14.701 1.906 1.00 0.00 H new ATOM 0 HB ILE A 34 1.705 13.001 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.734 14.539 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.392 15.215 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.067 13.092 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.709 13.503 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.505 14.790 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.974 13.433 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.740 12.957 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.403 12.272 -0.008 1.00 0.00 H new ATOM 515 N SER A 35 4.091 14.125 -0.346 1.00 0.00 N ATOM 516 CA SER A 35 4.817 14.021 -1.600 1.00 0.00 C ATOM 517 C SER A 35 4.381 12.765 -2.356 1.00 0.00 C ATOM 518 O SER A 35 3.994 11.771 -1.743 1.00 0.00 O ATOM 519 CB SER A 35 6.328 13.999 -1.361 1.00 0.00 C ATOM 520 OG SER A 35 7.035 14.758 -2.338 1.00 0.00 O ATOM 0 H SER A 35 4.395 13.474 0.378 1.00 0.00 H new ATOM 0 HA SER A 35 4.584 14.899 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.544 14.395 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.682 12.968 -1.377 1.00 0.00 H new ATOM 0 HG SER A 35 7.996 14.720 -2.149 1.00 0.00 H new ATOM 526 N ILE A 36 4.458 12.850 -3.676 1.00 0.00 N ATOM 527 CA ILE A 36 4.075 11.733 -4.522 1.00 0.00 C ATOM 528 C ILE A 36 5.044 11.637 -5.702 1.00 0.00 C ATOM 529 O ILE A 36 5.635 12.637 -6.108 1.00 0.00 O ATOM 530 CB ILE A 36 2.608 11.853 -4.939 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.392 13.073 -5.836 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.690 11.872 -3.715 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.543 12.702 -7.313 1.00 0.00 C ATOM 0 H ILE A 36 4.780 13.676 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 36 4.149 10.796 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 36 2.346 10.972 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.399 13.486 -5.661 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.111 13.851 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.653 11.958 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.818 10.949 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.944 12.723 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.384 13.587 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.545 12.312 -7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.807 11.942 -7.574 1.00 0.00 H new ATOM 545 N VAL A 37 5.177 10.425 -6.220 1.00 0.00 N ATOM 546 CA VAL A 37 6.064 10.186 -7.346 1.00 0.00 C ATOM 547 C VAL A 37 5.397 9.210 -8.317 1.00 0.00 C ATOM 548 O VAL A 37 4.620 8.351 -7.904 1.00 0.00 O ATOM 549 CB VAL A 37 7.424 9.695 -6.845 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.906 10.531 -5.658 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.372 8.209 -6.484 1.00 0.00 C ATOM 0 H VAL A 37 4.686 9.598 -5.881 1.00 0.00 H new ATOM 0 HA VAL A 37 6.248 11.112 -7.891 1.00 0.00 H new ATOM 0 HB VAL A 37 8.143 9.818 -7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.874 10.161 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.002 11.573 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.186 10.455 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.351 7.886 -6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.633 8.051 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.095 7.630 -7.365 1.00 0.00 H new ATOM 561 N SER A 38 5.725 9.376 -9.590 1.00 0.00 N ATOM 562 CA SER A 38 5.167 8.520 -10.624 1.00 0.00 C ATOM 563 C SER A 38 6.195 7.468 -11.044 1.00 0.00 C ATOM 564 O SER A 38 7.397 7.732 -11.038 1.00 0.00 O ATOM 565 CB SER A 38 4.720 9.340 -11.836 1.00 0.00 C ATOM 566 OG SER A 38 4.165 8.520 -12.861 1.00 0.00 O ATOM 0 H SER A 38 6.370 10.090 -9.929 1.00 0.00 H new ATOM 0 HA SER A 38 4.290 8.018 -10.216 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.981 10.077 -11.522 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.572 9.892 -12.234 1.00 0.00 H new ATOM 0 HG SER A 38 3.890 9.081 -13.616 1.00 0.00 H new ATOM 572 N GLY A 39 5.686 6.298 -11.401 1.00 0.00 N ATOM 573 CA GLY A 39 6.545 5.205 -11.823 1.00 0.00 C ATOM 574 C GLY A 39 6.396 4.939 -13.323 1.00 0.00 C ATOM 575 O GLY A 39 5.599 5.590 -13.996 1.00 0.00 O ATOM 0 H GLY A 39 4.689 6.083 -11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.583 5.444 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.295 4.304 -11.263 1.00 0.00 H new ATOM 579 N GLU A 40 7.176 3.981 -13.801 1.00 0.00 N ATOM 580 CA GLU A 40 7.141 3.621 -15.208 1.00 0.00 C ATOM 581 C GLU A 40 5.711 3.278 -15.633 1.00 0.00 C ATOM 582 O GLU A 40 5.254 2.153 -15.437 1.00 0.00 O ATOM 583 CB GLU A 40 8.092 2.459 -15.501 1.00 0.00 C ATOM 584 CG GLU A 40 9.324 2.940 -16.271 1.00 0.00 C ATOM 585 CD GLU A 40 9.302 2.432 -17.714 1.00 0.00 C ATOM 586 OE1 GLU A 40 8.266 2.652 -18.377 1.00 0.00 O ATOM 587 OE2 GLU A 40 10.322 1.834 -18.121 1.00 0.00 O ATOM 0 H GLU A 40 7.836 3.443 -13.239 1.00 0.00 H new ATOM 0 HA GLU A 40 7.477 4.479 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.402 1.993 -14.566 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.572 1.696 -16.080 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.358 4.029 -16.266 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.228 2.591 -15.772 1.00 0.00 H new ATOM 594 N LYS A 41 5.045 4.270 -16.207 1.00 0.00 N ATOM 595 CA LYS A 41 3.677 4.088 -16.661 1.00 0.00 C ATOM 596 C LYS A 41 2.899 3.286 -15.615 1.00 0.00 C ATOM 597 O LYS A 41 2.098 2.419 -15.962 1.00 0.00 O ATOM 598 CB LYS A 41 3.654 3.462 -18.057 1.00 0.00 C ATOM 599 CG LYS A 41 3.129 4.456 -19.095 1.00 0.00 C ATOM 600 CD LYS A 41 1.638 4.237 -19.359 1.00 0.00 C ATOM 601 CE LYS A 41 1.423 3.364 -20.597 1.00 0.00 C ATOM 602 NZ LYS A 41 1.074 1.981 -20.202 1.00 0.00 N ATOM 0 H LYS A 41 5.428 5.202 -16.368 1.00 0.00 H new ATOM 0 HA LYS A 41 3.178 5.052 -16.761 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.659 3.140 -18.332 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.025 2.572 -18.050 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.294 5.475 -18.744 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.687 4.345 -20.025 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.177 3.764 -18.492 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.144 5.199 -19.498 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.627 3.785 -21.212 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.327 3.357 -21.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.932 1.402 -21.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.846 1.577 -19.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.199 1.991 -19.640 1.00 0.00 H new ATOM 616 N GLY A 42 3.163 3.603 -14.356 1.00 0.00 N ATOM 617 CA GLY A 42 2.498 2.923 -13.258 1.00 0.00 C ATOM 618 C GLY A 42 1.497 3.850 -12.565 1.00 0.00 C ATOM 619 O GLY A 42 0.827 4.646 -13.220 1.00 0.00 O ATOM 0 H GLY A 42 3.829 4.322 -14.072 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.982 2.039 -13.632 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.239 2.578 -12.537 1.00 0.00 H new ATOM 623 N GLY A 43 1.428 3.716 -11.249 1.00 0.00 N ATOM 624 CA GLY A 43 0.520 4.531 -10.460 1.00 0.00 C ATOM 625 C GLY A 43 1.277 5.640 -9.725 1.00 0.00 C ATOM 626 O GLY A 43 2.326 6.088 -10.183 1.00 0.00 O ATOM 0 H GLY A 43 1.986 3.055 -10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.237 4.971 -11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.004 3.904 -9.739 1.00 0.00 H new ATOM 630 N ILE A 44 0.713 6.050 -8.598 1.00 0.00 N ATOM 631 CA ILE A 44 1.322 7.097 -7.796 1.00 0.00 C ATOM 632 C ILE A 44 1.694 6.532 -6.424 1.00 0.00 C ATOM 633 O ILE A 44 0.921 5.785 -5.826 1.00 0.00 O ATOM 634 CB ILE A 44 0.405 8.321 -7.728 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.046 8.814 -9.131 1.00 0.00 C ATOM 636 CG2 ILE A 44 1.029 9.426 -6.874 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.247 9.484 -9.802 1.00 0.00 C ATOM 0 H ILE A 44 -0.158 5.676 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 44 2.246 7.443 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.525 8.026 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.293 7.975 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.782 9.520 -9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.358 10.284 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.193 9.055 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.982 9.727 -7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.964 9.825 -10.798 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.569 10.337 -9.204 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.065 8.768 -9.883 1.00 0.00 H new ATOM 649 N TYR A 45 2.878 6.910 -5.965 1.00 0.00 N ATOM 650 CA TYR A 45 3.362 6.450 -4.675 1.00 0.00 C ATOM 651 C TYR A 45 3.789 7.628 -3.797 1.00 0.00 C ATOM 652 O TYR A 45 4.328 8.615 -4.296 1.00 0.00 O ATOM 653 CB TYR A 45 4.586 5.579 -4.969 1.00 0.00 C ATOM 654 CG TYR A 45 4.305 4.413 -5.919 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.363 4.606 -7.285 1.00 0.00 C ATOM 656 CD2 TYR A 45 3.995 3.168 -5.411 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.099 3.508 -8.179 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.731 2.070 -6.305 1.00 0.00 C ATOM 659 CZ TYR A 45 3.796 2.295 -7.644 1.00 0.00 C ATOM 660 OH TYR A 45 3.547 1.258 -8.489 1.00 0.00 O ATOM 0 H TYR A 45 3.516 7.530 -6.464 1.00 0.00 H new ATOM 0 HA TYR A 45 2.580 5.907 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.369 6.204 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.972 5.184 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.606 5.580 -7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.950 3.017 -4.343 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.141 3.645 -9.249 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.487 1.091 -5.920 1.00 0.00 H new ATOM 0 HH TYR A 45 3.346 0.453 -7.968 1.00 0.00 H new ATOM 670 N VAL A 46 3.533 7.486 -2.505 1.00 0.00 N ATOM 671 CA VAL A 46 3.884 8.527 -1.554 1.00 0.00 C ATOM 672 C VAL A 46 5.406 8.590 -1.412 1.00 0.00 C ATOM 673 O VAL A 46 6.056 7.568 -1.200 1.00 0.00 O ATOM 674 CB VAL A 46 3.170 8.281 -0.223 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.635 9.277 0.841 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.651 8.336 -0.398 1.00 0.00 C ATOM 0 H VAL A 46 3.087 6.666 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 46 3.550 9.501 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 46 3.433 7.280 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.112 9.080 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.709 9.170 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.416 10.292 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.167 8.158 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.363 9.318 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.339 7.571 -1.109 1.00 0.00 H new ATOM 686 N SER A 47 5.930 9.801 -1.536 1.00 0.00 N ATOM 687 CA SER A 47 7.363 10.011 -1.425 1.00 0.00 C ATOM 688 C SER A 47 7.699 10.612 -0.059 1.00 0.00 C ATOM 689 O SER A 47 8.858 10.611 0.355 1.00 0.00 O ATOM 690 CB SER A 47 7.875 10.919 -2.545 1.00 0.00 C ATOM 691 OG SER A 47 8.815 11.877 -2.068 1.00 0.00 O ATOM 0 H SER A 47 5.387 10.647 -1.712 1.00 0.00 H new ATOM 0 HA SER A 47 7.859 9.045 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.340 10.311 -3.321 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.033 11.436 -3.006 1.00 0.00 H new ATOM 0 HG SER A 47 9.119 12.436 -2.813 1.00 0.00 H new ATOM 697 N LYS A 48 6.666 11.111 0.603 1.00 0.00 N ATOM 698 CA LYS A 48 6.837 11.714 1.914 1.00 0.00 C ATOM 699 C LYS A 48 5.493 12.258 2.400 1.00 0.00 C ATOM 700 O LYS A 48 4.550 12.380 1.620 1.00 0.00 O ATOM 701 CB LYS A 48 7.949 12.765 1.879 1.00 0.00 C ATOM 702 CG LYS A 48 8.916 12.580 3.050 1.00 0.00 C ATOM 703 CD LYS A 48 9.563 13.910 3.443 1.00 0.00 C ATOM 704 CE LYS A 48 8.569 14.805 4.185 1.00 0.00 C ATOM 705 NZ LYS A 48 8.983 14.983 5.594 1.00 0.00 N ATOM 0 H LYS A 48 5.707 11.110 0.256 1.00 0.00 H new ATOM 0 HA LYS A 48 7.159 10.966 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.494 12.692 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.512 13.763 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.382 12.165 3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.689 11.862 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.432 13.723 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.922 14.422 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.507 15.776 3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.573 14.363 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.297 15.593 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.019 14.056 6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.924 15.425 5.626 1.00 0.00 H new ATOM 719 N VAL A 49 5.447 12.569 3.687 1.00 0.00 N ATOM 720 CA VAL A 49 4.233 13.096 4.287 1.00 0.00 C ATOM 721 C VAL A 49 4.603 14.011 5.456 1.00 0.00 C ATOM 722 O VAL A 49 5.148 13.553 6.459 1.00 0.00 O ATOM 723 CB VAL A 49 3.309 11.947 4.696 1.00 0.00 C ATOM 724 CG1 VAL A 49 4.055 10.924 5.555 1.00 0.00 C ATOM 725 CG2 VAL A 49 2.069 12.472 5.421 1.00 0.00 C ATOM 0 H VAL A 49 6.231 12.466 4.331 1.00 0.00 H new ATOM 0 HA VAL A 49 3.681 13.698 3.565 1.00 0.00 H new ATOM 0 HB VAL A 49 2.977 11.444 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.376 10.118 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.892 10.515 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.429 11.410 6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.429 11.635 5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.373 13.012 6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.520 13.144 4.762 1.00 0.00 H new ATOM 735 N THR A 50 4.292 15.288 5.289 1.00 0.00 N ATOM 736 CA THR A 50 4.585 16.271 6.318 1.00 0.00 C ATOM 737 C THR A 50 3.965 15.848 7.651 1.00 0.00 C ATOM 738 O THR A 50 2.884 15.261 7.679 1.00 0.00 O ATOM 739 CB THR A 50 4.093 17.633 5.824 1.00 0.00 C ATOM 740 OG1 THR A 50 4.863 17.875 4.650 1.00 0.00 O ATOM 741 CG2 THR A 50 4.483 18.773 6.767 1.00 0.00 C ATOM 0 H THR A 50 3.840 15.665 4.456 1.00 0.00 H new ATOM 0 HA THR A 50 5.657 16.344 6.502 1.00 0.00 H new ATOM 0 HB THR A 50 3.009 17.609 5.712 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.607 18.738 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.110 19.717 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.049 18.596 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.569 18.819 6.853 1.00 0.00 H new ATOM 749 N VAL A 51 4.676 16.163 8.724 1.00 0.00 N ATOM 750 CA VAL A 51 4.209 15.823 10.057 1.00 0.00 C ATOM 751 C VAL A 51 3.512 17.037 10.674 1.00 0.00 C ATOM 752 O VAL A 51 4.068 18.134 10.691 1.00 0.00 O ATOM 753 CB VAL A 51 5.375 15.309 10.904 1.00 0.00 C ATOM 754 CG1 VAL A 51 4.955 15.133 12.365 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.933 14.004 10.333 1.00 0.00 C ATOM 0 H VAL A 51 5.572 16.650 8.697 1.00 0.00 H new ATOM 0 HA VAL A 51 3.477 15.017 10.011 1.00 0.00 H new ATOM 0 HB VAL A 51 6.168 16.056 10.871 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.802 14.767 12.945 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.627 16.091 12.767 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.137 14.415 12.424 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.761 13.660 10.953 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.149 13.247 10.322 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.288 14.174 9.316 1.00 0.00 H new ATOM 765 N GLY A 52 2.305 16.800 11.166 1.00 0.00 N ATOM 766 CA GLY A 52 1.526 17.861 11.782 1.00 0.00 C ATOM 767 C GLY A 52 0.561 18.489 10.774 1.00 0.00 C ATOM 768 O GLY A 52 -0.155 19.434 11.101 1.00 0.00 O ATOM 0 H GLY A 52 1.847 15.889 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.965 17.462 12.627 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.195 18.626 12.176 1.00 0.00 H new ATOM 772 N SER A 53 0.573 17.938 9.569 1.00 0.00 N ATOM 773 CA SER A 53 -0.292 18.432 8.512 1.00 0.00 C ATOM 774 C SER A 53 -1.516 17.525 8.370 1.00 0.00 C ATOM 775 O SER A 53 -1.556 16.436 8.941 1.00 0.00 O ATOM 776 CB SER A 53 0.459 18.521 7.182 1.00 0.00 C ATOM 777 OG SER A 53 1.436 19.558 7.189 1.00 0.00 O ATOM 0 H SER A 53 1.168 17.154 9.302 1.00 0.00 H new ATOM 0 HA SER A 53 -0.621 19.436 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.944 17.567 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.252 18.698 6.375 1.00 0.00 H new ATOM 0 HG SER A 53 1.895 19.581 6.323 1.00 0.00 H new ATOM 783 N ILE A 54 -2.485 18.008 7.607 1.00 0.00 N ATOM 784 CA ILE A 54 -3.707 17.254 7.383 1.00 0.00 C ATOM 785 C ILE A 54 -3.364 15.772 7.217 1.00 0.00 C ATOM 786 O ILE A 54 -3.797 14.939 8.011 1.00 0.00 O ATOM 787 CB ILE A 54 -4.490 17.840 6.206 1.00 0.00 C ATOM 788 CG1 ILE A 54 -4.917 19.281 6.494 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.682 16.951 5.844 1.00 0.00 C ATOM 790 CD1 ILE A 54 -5.907 19.337 7.659 1.00 0.00 C ATOM 0 H ILE A 54 -2.449 18.912 7.136 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.367 17.334 8.246 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.832 17.867 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.040 19.884 6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.373 19.714 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.222 17.390 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.325 15.959 5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.349 16.870 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.194 20.372 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.793 18.753 7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.440 18.926 8.554 1.00 0.00 H new ATOM 802 N ALA A 55 -2.590 15.489 6.180 1.00 0.00 N ATOM 803 CA ALA A 55 -2.184 14.123 5.900 1.00 0.00 C ATOM 804 C ALA A 55 -1.877 13.406 7.217 1.00 0.00 C ATOM 805 O ALA A 55 -2.614 12.511 7.627 1.00 0.00 O ATOM 806 CB ALA A 55 -0.986 14.131 4.948 1.00 0.00 C ATOM 0 H ALA A 55 -2.233 16.183 5.523 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.989 13.577 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.681 13.106 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.264 14.625 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.158 14.668 5.410 1.00 0.00 H new ATOM 812 N HIS A 56 -0.788 13.827 7.843 1.00 0.00 N ATOM 813 CA HIS A 56 -0.375 13.237 9.104 1.00 0.00 C ATOM 814 C HIS A 56 -1.605 12.972 9.974 1.00 0.00 C ATOM 815 O HIS A 56 -1.770 11.875 10.505 1.00 0.00 O ATOM 816 CB HIS A 56 0.666 14.117 9.801 1.00 0.00 C ATOM 817 CG HIS A 56 1.536 13.375 10.787 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.367 13.471 12.157 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.584 12.524 10.586 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.278 12.709 12.745 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.031 12.124 11.770 1.00 0.00 N ATOM 0 H HIS A 56 -0.179 14.570 7.500 1.00 0.00 H new ATOM 0 HA HIS A 56 0.110 12.278 8.919 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.302 14.577 9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.153 14.926 10.321 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.982 12.227 9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.402 12.575 13.809 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.810 11.484 11.925 1.00 0.00 H new ATOM 829 N GLN A 57 -2.437 13.996 10.094 1.00 0.00 N ATOM 830 CA GLN A 57 -3.648 13.888 10.891 1.00 0.00 C ATOM 831 C GLN A 57 -4.520 12.741 10.377 1.00 0.00 C ATOM 832 O GLN A 57 -5.055 11.962 11.165 1.00 0.00 O ATOM 833 CB GLN A 57 -4.422 15.207 10.894 1.00 0.00 C ATOM 834 CG GLN A 57 -3.526 16.368 11.328 1.00 0.00 C ATOM 835 CD GLN A 57 -4.317 17.399 12.137 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.426 17.776 11.795 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.687 17.832 13.225 1.00 0.00 N ATOM 0 H GLN A 57 -2.297 14.905 9.653 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.364 13.670 11.921 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.819 15.402 9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.276 15.130 11.568 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.698 15.989 11.927 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.092 16.845 10.449 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.759 17.475 13.453 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.131 18.521 13.831 1.00 0.00 H new ATOM 846 N ALA A 58 -4.636 12.673 9.059 1.00 0.00 N ATOM 847 CA ALA A 58 -5.435 11.634 8.431 1.00 0.00 C ATOM 848 C ALA A 58 -4.820 10.267 8.739 1.00 0.00 C ATOM 849 O ALA A 58 -5.539 9.291 8.946 1.00 0.00 O ATOM 850 CB ALA A 58 -5.533 11.904 6.928 1.00 0.00 C ATOM 0 H ALA A 58 -4.190 13.320 8.409 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.449 11.636 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.132 11.125 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.003 12.873 6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.534 11.906 6.493 1.00 0.00 H new ATOM 856 N GLY A 59 -3.495 10.241 8.758 1.00 0.00 N ATOM 857 CA GLY A 59 -2.775 9.011 9.037 1.00 0.00 C ATOM 858 C GLY A 59 -2.201 8.408 7.753 1.00 0.00 C ATOM 859 O GLY A 59 -2.458 7.247 7.439 1.00 0.00 O ATOM 0 H GLY A 59 -2.902 11.052 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.968 9.210 9.742 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.444 8.294 9.512 1.00 0.00 H new ATOM 863 N LEU A 60 -1.434 9.225 7.046 1.00 0.00 N ATOM 864 CA LEU A 60 -0.821 8.787 5.803 1.00 0.00 C ATOM 865 C LEU A 60 0.627 8.373 6.072 1.00 0.00 C ATOM 866 O LEU A 60 1.175 8.670 7.132 1.00 0.00 O ATOM 867 CB LEU A 60 -0.963 9.865 4.727 1.00 0.00 C ATOM 868 CG LEU A 60 -2.323 9.944 4.031 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.409 11.181 3.134 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.621 8.656 3.262 1.00 0.00 C ATOM 0 H LEU A 60 -1.223 10.187 7.310 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.336 7.910 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.753 10.833 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.198 9.696 3.969 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.093 10.047 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.386 11.213 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.273 12.078 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.630 11.134 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.594 8.739 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.851 8.497 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.631 7.813 3.953 1.00 0.00 H new ATOM 882 N GLU A 61 1.206 7.692 5.093 1.00 0.00 N ATOM 883 CA GLU A 61 2.579 7.234 5.211 1.00 0.00 C ATOM 884 C GLU A 61 3.167 6.956 3.825 1.00 0.00 C ATOM 885 O GLU A 61 2.436 6.898 2.838 1.00 0.00 O ATOM 886 CB GLU A 61 2.670 5.995 6.103 1.00 0.00 C ATOM 887 CG GLU A 61 1.947 4.806 5.465 1.00 0.00 C ATOM 888 CD GLU A 61 1.325 3.905 6.534 1.00 0.00 C ATOM 889 OE1 GLU A 61 0.587 4.455 7.381 1.00 0.00 O ATOM 890 OE2 GLU A 61 1.601 2.687 6.480 1.00 0.00 O ATOM 0 H GLU A 61 0.749 7.447 4.215 1.00 0.00 H new ATOM 0 HA GLU A 61 3.165 8.023 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.716 5.741 6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.232 6.211 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.170 5.167 4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.649 4.230 4.862 1.00 0.00 H new ATOM 897 N TYR A 62 4.481 6.792 3.797 1.00 0.00 N ATOM 898 CA TYR A 62 5.175 6.522 2.549 1.00 0.00 C ATOM 899 C TYR A 62 5.043 5.049 2.156 1.00 0.00 C ATOM 900 O TYR A 62 4.852 4.189 3.015 1.00 0.00 O ATOM 901 CB TYR A 62 6.649 6.838 2.809 1.00 0.00 C ATOM 902 CG TYR A 62 7.556 6.615 1.598 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.781 5.336 1.130 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.150 7.692 0.973 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.635 5.126 -0.010 1.00 0.00 C ATOM 906 CE2 TYR A 62 9.004 7.482 -0.168 1.00 0.00 C ATOM 907 CZ TYR A 62 9.204 6.209 -0.603 1.00 0.00 C ATOM 908 OH TYR A 62 10.011 6.011 -1.680 1.00 0.00 O ATOM 0 H TYR A 62 5.084 6.841 4.618 1.00 0.00 H new ATOM 0 HA TYR A 62 4.756 7.120 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.736 7.876 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.003 6.219 3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.316 4.493 1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.975 8.693 1.339 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.819 4.130 -0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.475 8.316 -0.667 1.00 0.00 H new ATOM 0 HH TYR A 62 10.346 6.874 -2.001 1.00 0.00 H new ATOM 918 N GLY A 63 5.150 4.804 0.859 1.00 0.00 N ATOM 919 CA GLY A 63 5.045 3.450 0.342 1.00 0.00 C ATOM 920 C GLY A 63 3.584 3.067 0.101 1.00 0.00 C ATOM 921 O GLY A 63 3.301 2.053 -0.537 1.00 0.00 O ATOM 0 H GLY A 63 5.308 5.520 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.605 3.368 -0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.496 2.752 1.047 1.00 0.00 H new ATOM 925 N ASP A 64 2.693 3.898 0.623 1.00 0.00 N ATOM 926 CA ASP A 64 1.268 3.659 0.472 1.00 0.00 C ATOM 927 C ASP A 64 0.821 4.124 -0.915 1.00 0.00 C ATOM 928 O ASP A 64 0.570 5.309 -1.125 1.00 0.00 O ATOM 929 CB ASP A 64 0.465 4.440 1.514 1.00 0.00 C ATOM 930 CG ASP A 64 -0.454 3.590 2.393 1.00 0.00 C ATOM 931 OD1 ASP A 64 -0.477 2.361 2.168 1.00 0.00 O ATOM 932 OD2 ASP A 64 -1.112 4.188 3.271 1.00 0.00 O ATOM 0 H ASP A 64 2.931 4.738 1.151 1.00 0.00 H new ATOM 0 HA ASP A 64 1.089 2.592 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.161 4.979 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.139 5.188 1.000 1.00 0.00 H new ATOM 937 N GLN A 65 0.736 3.165 -1.826 1.00 0.00 N ATOM 938 CA GLN A 65 0.324 3.462 -3.188 1.00 0.00 C ATOM 939 C GLN A 65 -1.118 3.975 -3.206 1.00 0.00 C ATOM 940 O GLN A 65 -2.022 3.315 -2.696 1.00 0.00 O ATOM 941 CB GLN A 65 0.480 2.235 -4.088 1.00 0.00 C ATOM 942 CG GLN A 65 0.354 2.617 -5.564 1.00 0.00 C ATOM 943 CD GLN A 65 -0.431 1.557 -6.340 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.379 0.373 -6.050 1.00 0.00 O ATOM 945 NE2 GLN A 65 -1.159 2.047 -7.339 1.00 0.00 N ATOM 0 H GLN A 65 0.945 2.183 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 65 0.973 4.245 -3.581 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.450 1.771 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.279 1.495 -3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.146 3.582 -5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.347 2.731 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.157 3.049 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.719 1.420 -7.917 1.00 0.00 H new ATOM 954 N LEU A 66 -1.287 5.148 -3.799 1.00 0.00 N ATOM 955 CA LEU A 66 -2.604 5.757 -3.891 1.00 0.00 C ATOM 956 C LEU A 66 -3.366 5.138 -5.064 1.00 0.00 C ATOM 957 O LEU A 66 -3.044 5.396 -6.223 1.00 0.00 O ATOM 958 CB LEU A 66 -2.485 7.280 -3.968 1.00 0.00 C ATOM 959 CG LEU A 66 -1.473 7.923 -3.018 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.190 9.373 -3.417 1.00 0.00 C ATOM 961 CD2 LEU A 66 -1.936 7.809 -1.564 1.00 0.00 C ATOM 0 H LEU A 66 -0.535 5.693 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.184 5.551 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.219 7.552 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.466 7.712 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.533 7.377 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.468 9.806 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.785 9.400 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.116 9.947 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.198 8.274 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.895 8.314 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.045 6.758 -1.298 1.00 0.00 H new ATOM 973 N LEU A 67 -4.363 4.335 -4.723 1.00 0.00 N ATOM 974 CA LEU A 67 -5.174 3.678 -5.734 1.00 0.00 C ATOM 975 C LEU A 67 -6.182 4.679 -6.303 1.00 0.00 C ATOM 976 O LEU A 67 -6.238 4.888 -7.513 1.00 0.00 O ATOM 977 CB LEU A 67 -5.819 2.412 -5.165 1.00 0.00 C ATOM 978 CG LEU A 67 -4.902 1.194 -5.032 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.682 -0.028 -4.543 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.166 0.917 -6.344 1.00 0.00 C ATOM 0 H LEU A 67 -4.628 4.124 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.551 3.345 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.225 2.646 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.662 2.140 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.146 1.416 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.007 -0.880 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.121 0.187 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.474 -0.263 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.521 0.047 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.891 0.724 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.560 1.783 -6.611 1.00 0.00 H new ATOM 992 N GLU A 68 -6.952 5.271 -5.402 1.00 0.00 N ATOM 993 CA GLU A 68 -7.955 6.245 -5.799 1.00 0.00 C ATOM 994 C GLU A 68 -8.074 7.345 -4.742 1.00 0.00 C ATOM 995 O GLU A 68 -8.027 7.068 -3.545 1.00 0.00 O ATOM 996 CB GLU A 68 -9.307 5.571 -6.044 1.00 0.00 C ATOM 997 CG GLU A 68 -9.404 5.043 -7.476 1.00 0.00 C ATOM 998 CD GLU A 68 -10.261 3.776 -7.536 1.00 0.00 C ATOM 999 OE1 GLU A 68 -9.820 2.765 -6.950 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -11.338 3.849 -8.167 1.00 0.00 O ATOM 0 H GLU A 68 -6.902 5.095 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.639 6.702 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.441 4.750 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.111 6.283 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.835 5.809 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.405 4.829 -7.857 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.225 8.570 -5.224 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.351 9.713 -4.335 1.00 0.00 C ATOM 1009 C PHE A 69 -9.760 10.305 -4.400 1.00 0.00 C ATOM 1010 O PHE A 69 -10.097 11.015 -5.347 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.347 10.764 -4.813 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.431 12.093 -4.060 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.300 13.054 -4.473 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.637 12.312 -2.978 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.378 14.288 -3.773 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.715 13.546 -2.279 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.584 14.507 -2.691 1.00 0.00 C ATOM 0 H PHE A 69 -8.263 8.796 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.161 9.407 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.339 10.362 -4.709 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.508 10.949 -5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.930 12.879 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.947 11.548 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.068 15.052 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.084 13.721 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.644 15.445 -2.159 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.547 9.991 -3.381 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.912 10.483 -3.310 1.00 0.00 C ATOM 1029 C ASN A 70 -12.677 10.033 -4.557 1.00 0.00 C ATOM 1030 O ASN A 70 -13.728 10.586 -4.878 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.945 12.012 -3.262 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.685 12.505 -2.017 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.149 11.735 -1.193 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.769 13.829 -1.927 1.00 0.00 N ATOM 0 H ASN A 70 -10.265 9.402 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.367 10.084 -2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.927 12.402 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.434 12.397 -4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.244 14.257 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.358 14.417 -2.653 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.120 9.033 -5.225 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.737 8.503 -6.429 1.00 0.00 C ATOM 1043 C GLY A 71 -11.779 8.587 -7.618 1.00 0.00 C ATOM 1044 O GLY A 71 -11.720 7.672 -8.438 1.00 0.00 O ATOM 0 H GLY A 71 -11.249 8.576 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.030 7.466 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.647 9.060 -6.651 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.052 9.693 -7.675 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.099 9.908 -8.750 1.00 0.00 C ATOM 1050 C ILE A 72 -9.140 8.718 -8.822 1.00 0.00 C ATOM 1051 O ILE A 72 -8.568 8.315 -7.811 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.394 11.256 -8.580 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.207 12.384 -9.219 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -7.965 11.200 -9.124 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.267 13.605 -8.300 1.00 0.00 C ATOM 0 H ILE A 72 -11.104 10.450 -6.994 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.614 9.962 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.324 11.473 -7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.760 12.664 -10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.217 12.034 -9.431 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.487 12.170 -8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.400 10.440 -8.585 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.989 10.950 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.851 14.392 -8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.737 13.327 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.257 13.967 -8.110 1.00 0.00 H new ATOM 1067 N ASN A 73 -8.995 8.188 -10.028 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.115 7.052 -10.245 1.00 0.00 C ATOM 1069 C ASN A 73 -6.670 7.543 -10.343 1.00 0.00 C ATOM 1070 O ASN A 73 -6.316 8.262 -11.277 1.00 0.00 O ATOM 1071 CB ASN A 73 -8.459 6.331 -11.550 1.00 0.00 C ATOM 1072 CG ASN A 73 -8.435 7.299 -12.734 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.349 8.507 -12.581 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -8.517 6.705 -13.921 1.00 0.00 N ATOM 0 H ASN A 73 -9.472 8.524 -10.865 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.240 6.364 -9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.748 5.523 -11.722 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.446 5.875 -11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.510 7.265 -14.773 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.587 5.689 -13.979 1.00 0.00 H new ATOM 1081 N LEU A 74 -5.872 7.135 -9.367 1.00 0.00 N ATOM 1082 CA LEU A 74 -4.473 7.525 -9.331 1.00 0.00 C ATOM 1083 C LEU A 74 -3.672 6.617 -10.267 1.00 0.00 C ATOM 1084 O LEU A 74 -2.740 7.071 -10.929 1.00 0.00 O ATOM 1085 CB LEU A 74 -3.956 7.533 -7.891 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.130 8.846 -7.124 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.381 9.987 -7.813 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -5.612 9.171 -6.924 1.00 0.00 C ATOM 0 H LEU A 74 -6.168 6.538 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.352 8.546 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.464 6.742 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.896 7.281 -7.905 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.690 8.725 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.521 10.908 -7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.318 9.749 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.769 10.119 -8.823 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.708 10.109 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.098 9.266 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.087 8.370 -6.358 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.063 5.352 -10.291 1.00 0.00 N ATOM 1101 CA ARG A 75 -3.393 4.377 -11.134 1.00 0.00 C ATOM 1102 C ARG A 75 -3.082 4.985 -12.503 1.00 0.00 C ATOM 1103 O ARG A 75 -2.055 4.674 -13.105 1.00 0.00 O ATOM 1104 CB ARG A 75 -4.255 3.127 -11.323 1.00 0.00 C ATOM 1105 CG ARG A 75 -3.879 2.044 -10.310 1.00 0.00 C ATOM 1106 CD ARG A 75 -4.407 0.676 -10.748 1.00 0.00 C ATOM 1107 NE ARG A 75 -4.980 -0.041 -9.587 1.00 0.00 N ATOM 1108 CZ ARG A 75 -6.232 0.129 -9.142 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -7.050 0.993 -9.758 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -6.667 -0.565 -8.082 1.00 0.00 N ATOM 0 H ARG A 75 -4.836 4.979 -9.740 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.465 4.092 -10.639 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.308 3.386 -11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.128 2.743 -12.335 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.795 2.002 -10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.287 2.299 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.166 0.800 -11.520 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.600 0.089 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.384 -0.706 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.719 1.521 -10.566 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.003 1.123 -9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.045 -1.223 -7.613 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.620 -0.435 -7.744 1.00 0.00 H new ATOM 1124 N SER A 76 -3.987 5.840 -12.956 1.00 0.00 N ATOM 1125 CA SER A 76 -3.821 6.494 -14.242 1.00 0.00 C ATOM 1126 C SER A 76 -3.272 7.908 -14.044 1.00 0.00 C ATOM 1127 O SER A 76 -2.496 8.398 -14.864 1.00 0.00 O ATOM 1128 CB SER A 76 -5.144 6.541 -15.010 1.00 0.00 C ATOM 1129 OG SER A 76 -4.956 6.909 -16.374 1.00 0.00 O ATOM 0 H SER A 76 -4.838 6.095 -12.455 1.00 0.00 H new ATOM 0 HA SER A 76 -3.110 5.915 -14.831 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.627 5.565 -14.961 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.816 7.253 -14.531 1.00 0.00 H new ATOM 0 HG SER A 76 -5.823 6.926 -16.831 1.00 0.00 H new ATOM 1135 N ALA A 77 -3.696 8.525 -12.951 1.00 0.00 N ATOM 1136 CA ALA A 77 -3.256 9.874 -12.634 1.00 0.00 C ATOM 1137 C ALA A 77 -1.727 9.924 -12.653 1.00 0.00 C ATOM 1138 O ALA A 77 -1.066 8.952 -12.291 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.837 10.297 -11.284 1.00 0.00 C ATOM 0 H ALA A 77 -4.340 8.116 -12.274 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.618 10.581 -13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.507 11.308 -11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.926 10.273 -11.333 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.493 9.612 -10.509 1.00 0.00 H new ATOM 1145 N THR A 78 -1.210 11.068 -13.078 1.00 0.00 N ATOM 1146 CA THR A 78 0.229 11.258 -13.148 1.00 0.00 C ATOM 1147 C THR A 78 0.742 11.924 -11.870 1.00 0.00 C ATOM 1148 O THR A 78 -0.001 12.069 -10.900 1.00 0.00 O ATOM 1149 CB THR A 78 0.539 12.055 -14.416 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.180 13.273 -14.245 1.00 0.00 O ATOM 1151 CG2 THR A 78 -0.080 11.430 -15.668 1.00 0.00 C ATOM 0 H THR A 78 -1.762 11.872 -13.377 1.00 0.00 H new ATOM 0 HA THR A 78 0.752 10.304 -13.211 1.00 0.00 H new ATOM 0 HB THR A 78 1.619 12.128 -14.543 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.041 13.889 -14.975 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.171 12.035 -16.539 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.311 10.421 -15.802 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.163 11.387 -15.556 1.00 0.00 H new ATOM 1159 N GLU A 79 2.008 12.313 -11.911 1.00 0.00 N ATOM 1160 CA GLU A 79 2.629 12.961 -10.768 1.00 0.00 C ATOM 1161 C GLU A 79 2.128 14.401 -10.637 1.00 0.00 C ATOM 1162 O GLU A 79 1.919 14.891 -9.528 1.00 0.00 O ATOM 1163 CB GLU A 79 4.154 12.919 -10.876 1.00 0.00 C ATOM 1164 CG GLU A 79 4.611 13.203 -12.308 1.00 0.00 C ATOM 1165 CD GLU A 79 6.047 13.730 -12.332 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.334 14.630 -11.513 1.00 0.00 O ATOM 1167 OE2 GLU A 79 6.824 13.222 -13.169 1.00 0.00 O ATOM 0 H GLU A 79 2.621 12.192 -12.718 1.00 0.00 H new ATOM 0 HA GLU A 79 2.346 12.415 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.590 13.653 -10.199 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.517 11.941 -10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.545 12.292 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.945 13.933 -12.768 1.00 0.00 H new ATOM 1174 N GLN A 80 1.949 15.038 -11.785 1.00 0.00 N ATOM 1175 CA GLN A 80 1.477 16.412 -11.813 1.00 0.00 C ATOM 1176 C GLN A 80 -0.004 16.472 -11.432 1.00 0.00 C ATOM 1177 O GLN A 80 -0.418 17.343 -10.668 1.00 0.00 O ATOM 1178 CB GLN A 80 1.716 17.047 -13.184 1.00 0.00 C ATOM 1179 CG GLN A 80 0.909 16.330 -14.269 1.00 0.00 C ATOM 1180 CD GLN A 80 1.470 16.631 -15.660 1.00 0.00 C ATOM 1181 OE1 GLN A 80 2.359 17.449 -15.835 1.00 0.00 O ATOM 1182 NE2 GLN A 80 0.904 15.927 -16.636 1.00 0.00 N ATOM 0 H GLN A 80 2.122 14.628 -12.703 1.00 0.00 H new ATOM 0 HA GLN A 80 2.045 16.985 -11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.437 18.100 -13.154 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.778 17.005 -13.428 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.928 15.255 -14.090 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.134 16.643 -14.218 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.165 15.258 -16.420 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.209 16.056 -17.601 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.762 15.534 -11.982 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.188 15.469 -11.709 1.00 0.00 C ATOM 1193 C GLN A 81 -2.432 15.081 -10.250 1.00 0.00 C ATOM 1194 O GLN A 81 -3.325 15.624 -9.600 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.884 14.493 -12.660 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.437 15.223 -13.886 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.504 15.061 -15.088 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -1.989 16.019 -15.640 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -2.316 13.798 -15.460 1.00 0.00 N ATOM 0 H GLN A 81 -0.416 14.813 -12.615 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.616 16.457 -11.878 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.180 13.724 -12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.695 13.986 -12.137 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.424 14.832 -14.132 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.562 16.282 -13.658 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.778 13.043 -14.953 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.710 13.584 -16.252 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.623 14.144 -9.777 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.740 13.677 -8.406 1.00 0.00 C ATOM 1210 C ALA A 82 -1.444 14.834 -7.450 1.00 0.00 C ATOM 1211 O ALA A 82 -2.133 15.008 -6.446 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.802 12.488 -8.190 1.00 0.00 C ATOM 0 H ALA A 82 -0.884 13.696 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.754 13.333 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.890 12.138 -7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.073 11.682 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.226 12.796 -8.382 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.417 15.597 -7.795 1.00 0.00 N ATOM 1219 CA ARG A 83 -0.020 16.733 -6.981 1.00 0.00 C ATOM 1220 C ARG A 83 -1.139 17.776 -6.945 1.00 0.00 C ATOM 1221 O ARG A 83 -1.109 18.696 -6.128 1.00 0.00 O ATOM 1222 CB ARG A 83 1.255 17.381 -7.522 1.00 0.00 C ATOM 1223 CG ARG A 83 2.486 16.541 -7.177 1.00 0.00 C ATOM 1224 CD ARG A 83 3.696 16.974 -8.008 1.00 0.00 C ATOM 1225 NE ARG A 83 4.364 18.128 -7.366 1.00 0.00 N ATOM 1226 CZ ARG A 83 5.255 18.022 -6.371 1.00 0.00 C ATOM 1227 NH1 ARG A 83 5.590 16.814 -5.897 1.00 0.00 N ATOM 1228 NH2 ARG A 83 5.811 19.124 -5.849 1.00 0.00 N ATOM 0 H ARG A 83 0.153 15.450 -8.628 1.00 0.00 H new ATOM 0 HA ARG A 83 0.173 16.367 -5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.179 17.494 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.364 18.382 -7.104 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.714 16.642 -6.116 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.274 15.487 -7.358 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.397 16.145 -8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.378 17.242 -9.016 1.00 0.00 H new ATOM 0 HE ARG A 83 4.132 19.063 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.167 15.975 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.268 16.734 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.556 20.044 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.489 19.043 -5.092 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.099 17.599 -7.840 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.225 18.513 -7.922 1.00 0.00 C ATOM 1244 C LEU A 84 -4.435 17.890 -7.222 1.00 0.00 C ATOM 1245 O LEU A 84 -5.017 18.496 -6.324 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.492 18.908 -9.376 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.821 18.434 -9.967 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -6.004 19.044 -9.212 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.888 18.723 -11.467 1.00 0.00 C ATOM 0 H LEU A 84 -2.120 16.835 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.998 19.443 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.452 19.995 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.683 18.516 -9.992 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.883 17.353 -9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.937 18.691 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.960 18.745 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.958 20.131 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.843 18.376 -11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.794 19.796 -11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.075 18.203 -11.974 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.777 16.687 -7.661 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.906 15.975 -7.088 1.00 0.00 C ATOM 1263 C ILE A 85 -5.820 16.034 -5.561 1.00 0.00 C ATOM 1264 O ILE A 85 -6.793 16.382 -4.894 1.00 0.00 O ATOM 1265 CB ILE A 85 -5.981 14.552 -7.645 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.097 14.566 -9.171 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.118 13.766 -6.991 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.462 13.315 -9.780 1.00 0.00 C ATOM 0 H ILE A 85 -4.292 16.188 -8.407 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.842 16.454 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.052 14.039 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.147 14.622 -9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.609 15.456 -9.568 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.149 12.758 -7.405 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.951 13.711 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.066 14.267 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.558 13.350 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.407 13.274 -9.510 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.968 12.428 -9.399 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.646 15.688 -5.053 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.420 15.698 -3.618 1.00 0.00 C ATOM 1282 C ILE A 86 -4.451 17.141 -3.110 1.00 0.00 C ATOM 1283 O ILE A 86 -4.919 17.404 -2.004 1.00 0.00 O ATOM 1284 CB ILE A 86 -3.129 14.952 -3.274 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.900 15.752 -3.712 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.136 13.542 -3.867 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.686 14.839 -3.888 1.00 0.00 C ATOM 0 H ILE A 86 -3.842 15.399 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.218 15.162 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.074 14.845 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.112 16.266 -4.649 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.678 16.519 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.207 13.034 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.981 12.982 -3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.225 13.604 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.174 15.433 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.462 14.345 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.903 14.088 -4.648 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.945 18.038 -3.944 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.909 19.448 -3.594 1.00 0.00 C ATOM 1301 C GLY A 87 -5.185 20.159 -4.047 1.00 0.00 C ATOM 1302 O GLY A 87 -5.126 21.253 -4.606 1.00 0.00 O ATOM 0 H GLY A 87 -3.557 17.816 -4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.792 19.556 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.042 19.919 -4.057 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.311 19.508 -3.791 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.599 20.064 -4.165 1.00 0.00 C ATOM 1308 C GLN A 88 -8.207 20.835 -2.992 1.00 0.00 C ATOM 1309 O GLN A 88 -7.561 21.010 -1.959 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.549 18.968 -4.652 1.00 0.00 C ATOM 1311 CG GLN A 88 -8.336 18.677 -6.138 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.645 18.816 -6.918 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.682 19.173 -6.382 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.541 18.516 -8.209 1.00 0.00 N ATOM 0 H GLN A 88 -6.357 18.600 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.446 20.760 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.388 18.059 -4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.581 19.275 -4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.592 19.363 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.940 17.669 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.643 18.224 -8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.359 18.578 -8.815 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.441 21.275 -3.189 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.142 22.023 -2.160 1.00 0.00 C ATOM 1325 C GLN A 89 -11.413 21.282 -1.739 1.00 0.00 C ATOM 1326 O GLN A 89 -12.459 21.430 -2.369 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.466 23.440 -2.636 1.00 0.00 C ATOM 1328 CG GLN A 89 -9.653 23.799 -3.882 1.00 0.00 C ATOM 1329 CD GLN A 89 -10.338 23.287 -5.150 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -11.425 23.707 -5.512 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -9.645 22.358 -5.802 1.00 0.00 N ATOM 0 H GLN A 89 -9.973 21.128 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.489 22.108 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.530 23.519 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.252 24.153 -1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.531 24.880 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.654 23.369 -3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.741 22.051 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.018 21.952 -6.660 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.281 20.502 -0.676 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.406 19.738 -0.164 1.00 0.00 C ATOM 1342 C CYS A 90 -12.261 19.630 1.355 1.00 0.00 C ATOM 1343 O CYS A 90 -11.280 19.077 1.851 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.505 18.363 -0.827 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.857 18.360 -2.061 1.00 0.00 S ATOM 0 H CYS A 90 -10.412 20.383 -0.155 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.337 20.252 -0.404 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.560 18.114 -1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.689 17.598 -0.072 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.932 17.189 -2.620 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.252 20.166 2.052 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.247 20.137 3.505 1.00 0.00 C ATOM 1353 C ASP A 91 -12.845 18.739 3.981 1.00 0.00 C ATOM 1354 O ASP A 91 -11.946 18.596 4.807 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.636 20.447 4.067 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.945 21.934 4.244 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -14.045 22.742 3.927 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.073 22.230 4.693 1.00 0.00 O ATOM 0 H ASP A 91 -14.064 20.623 1.637 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.541 20.890 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.385 20.012 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.739 19.952 5.033 1.00 0.00 H new ATOM 1363 N THR A 92 -13.532 17.744 3.439 1.00 0.00 N ATOM 1364 CA THR A 92 -13.258 16.363 3.798 1.00 0.00 C ATOM 1365 C THR A 92 -13.146 15.498 2.541 1.00 0.00 C ATOM 1366 O THR A 92 -14.055 15.480 1.712 1.00 0.00 O ATOM 1367 CB THR A 92 -14.353 15.899 4.760 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.233 16.780 5.874 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.067 14.515 5.348 1.00 0.00 C ATOM 0 H THR A 92 -14.278 17.867 2.754 1.00 0.00 H new ATOM 0 HA THR A 92 -12.298 16.269 4.306 1.00 0.00 H new ATOM 0 HB THR A 92 -15.310 15.882 4.239 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.908 16.551 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.874 14.233 6.024 1.00 0.00 H new ATOM 0 HG22 THR A 92 -13.997 13.785 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.126 14.541 5.898 1.00 0.00 H new ATOM 1377 N ILE A 93 -12.024 14.800 2.440 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.782 13.934 1.298 1.00 0.00 C ATOM 1379 C ILE A 93 -11.244 12.589 1.789 1.00 0.00 C ATOM 1380 O ILE A 93 -10.614 12.516 2.843 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.871 14.628 0.284 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.970 13.615 -0.426 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -10.065 15.747 0.946 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.841 13.147 0.493 1.00 0.00 C ATOM 0 H ILE A 93 -11.273 14.816 3.130 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.713 13.731 0.769 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.498 15.091 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.562 12.758 -0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.549 14.065 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.426 16.224 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.746 16.487 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.448 15.329 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.216 12.428 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.236 14.003 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.265 12.676 1.380 1.00 0.00 H new ATOM 1396 N THR A 94 -11.512 11.558 1.002 1.00 0.00 N ATOM 1397 CA THR A 94 -11.062 10.219 1.343 1.00 0.00 C ATOM 1398 C THR A 94 -9.949 9.771 0.393 1.00 0.00 C ATOM 1399 O THR A 94 -9.775 10.348 -0.680 1.00 0.00 O ATOM 1400 CB THR A 94 -12.280 9.293 1.330 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.200 9.918 2.221 1.00 0.00 O ATOM 1402 CG2 THR A 94 -11.993 7.938 1.981 1.00 0.00 C ATOM 0 H THR A 94 -12.035 11.623 0.129 1.00 0.00 H new ATOM 0 HA THR A 94 -10.625 10.192 2.341 1.00 0.00 H new ATOM 0 HB THR A 94 -12.608 9.139 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.020 9.384 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.890 7.320 1.945 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.187 7.439 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.697 8.089 3.019 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.225 8.748 0.821 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.134 8.217 0.022 1.00 0.00 C ATOM 1412 C ILE A 95 -8.171 6.688 0.068 1.00 0.00 C ATOM 1413 O ILE A 95 -8.427 6.101 1.118 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.799 8.813 0.474 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.687 10.282 0.063 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.624 7.982 -0.044 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.515 10.963 0.772 1.00 0.00 C ATOM 0 H ILE A 95 -9.372 8.272 1.711 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.250 8.508 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.762 8.780 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.554 10.352 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.614 10.802 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.687 8.427 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.700 6.965 0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.646 7.961 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.459 12.006 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.664 10.913 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.587 10.456 0.510 1.00 0.00 H new ATOM 1429 N LEU A 96 -7.912 6.087 -1.084 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.913 4.638 -1.189 1.00 0.00 C ATOM 1431 C LEU A 96 -6.485 4.148 -1.441 1.00 0.00 C ATOM 1432 O LEU A 96 -6.021 4.138 -2.579 1.00 0.00 O ATOM 1433 CB LEU A 96 -8.917 4.178 -2.248 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.931 2.678 -2.552 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.391 1.876 -1.334 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.778 2.378 -3.790 1.00 0.00 C ATOM 0 H LEU A 96 -7.700 6.577 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.244 4.189 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.916 4.473 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.710 4.714 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.911 2.365 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.392 0.813 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.711 2.057 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.398 2.185 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.771 1.305 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.802 2.710 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.365 2.905 -4.650 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.830 3.754 -0.359 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.465 3.264 -0.448 1.00 0.00 C ATOM 1450 C ALA A 97 -4.468 1.737 -0.360 1.00 0.00 C ATOM 1451 O ALA A 97 -5.501 1.131 -0.078 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.618 3.910 0.650 1.00 0.00 C ATOM 0 H ALA A 97 -6.219 3.764 0.584 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.021 3.537 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.594 3.542 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.624 4.993 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.032 3.656 1.626 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.302 1.159 -0.606 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.158 -0.286 -0.557 1.00 0.00 C ATOM 1460 C GLN A 98 -1.682 -0.668 -0.433 1.00 0.00 C ATOM 1461 O GLN A 98 -1.042 -1.019 -1.423 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.792 -0.942 -1.786 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.869 -2.461 -1.618 1.00 0.00 C ATOM 1464 CD GLN A 98 -4.237 -3.140 -2.938 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.823 -2.734 -4.012 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -5.036 -4.195 -2.800 1.00 0.00 N ATOM 0 H GLN A 98 -2.448 1.665 -0.840 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.684 -0.654 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.792 -0.539 -1.943 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.208 -0.700 -2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.910 -2.840 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.610 -2.709 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.346 -4.482 -1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.338 -4.717 -3.623 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.184 -0.589 0.793 1.00 0.00 N ATOM 1476 CA TYR A 99 0.205 -0.922 1.060 1.00 0.00 C ATOM 1477 C TYR A 99 0.658 -2.108 0.206 1.00 0.00 C ATOM 1478 O TYR A 99 -0.069 -3.091 0.068 1.00 0.00 O ATOM 1479 CB TYR A 99 0.267 -1.318 2.536 1.00 0.00 C ATOM 1480 CG TYR A 99 1.685 -1.566 3.054 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.310 -2.771 2.803 1.00 0.00 C ATOM 1482 CD2 TYR A 99 2.339 -0.586 3.773 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.645 -3.005 3.291 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.673 -0.820 4.261 1.00 0.00 C ATOM 1485 CZ TYR A 99 4.261 -2.018 3.996 1.00 0.00 C ATOM 1486 OH TYR A 99 5.521 -2.239 4.456 1.00 0.00 O ATOM 0 H TYR A 99 -1.718 -0.299 1.612 1.00 0.00 H new ATOM 0 HA TYR A 99 0.854 -0.078 0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.194 -0.531 3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.326 -2.220 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.798 -3.538 2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.850 0.357 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.146 -3.943 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.195 -0.061 4.825 1.00 0.00 H new ATOM 0 HH TYR A 99 5.836 -1.448 4.941 1.00 0.00 H new ATOM 1496 N ASN A 100 1.856 -1.977 -0.344 1.00 0.00 N ATOM 1497 CA ASN A 100 2.414 -3.026 -1.180 1.00 0.00 C ATOM 1498 C ASN A 100 3.863 -3.287 -0.764 1.00 0.00 C ATOM 1499 O ASN A 100 4.707 -2.395 -0.845 1.00 0.00 O ATOM 1500 CB ASN A 100 2.413 -2.615 -2.654 1.00 0.00 C ATOM 1501 CG ASN A 100 3.039 -3.704 -3.528 1.00 0.00 C ATOM 1502 OD1 ASN A 100 3.451 -4.752 -3.058 1.00 0.00 O ATOM 1503 ND2 ASN A 100 3.087 -3.398 -4.821 1.00 0.00 N ATOM 0 H ASN A 100 2.456 -1.160 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 100 1.802 -3.919 -1.054 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.391 -2.424 -2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.966 -1.684 -2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.487 -4.059 -5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.724 -2.502 -5.147 1.00 0.00 H new ATOM 1510 N PRO A 101 4.114 -4.546 -0.315 1.00 0.00 N ATOM 1511 CA PRO A 101 5.446 -4.936 0.114 1.00 0.00 C ATOM 1512 C PRO A 101 6.371 -5.142 -1.087 1.00 0.00 C ATOM 1513 O PRO A 101 6.980 -6.201 -1.232 1.00 0.00 O ATOM 1514 CB PRO A 101 5.242 -6.202 0.930 1.00 0.00 C ATOM 1515 CG PRO A 101 3.871 -6.731 0.543 1.00 0.00 C ATOM 1516 CD PRO A 101 3.140 -5.628 -0.206 1.00 0.00 C ATOM 0 HA PRO A 101 5.937 -4.168 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.019 -6.935 0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.292 -5.990 1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.967 -7.618 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.311 -7.026 1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.813 -5.967 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.249 -5.306 0.333 1.00 0.00 H new ATOM 1524 N HIS A 102 6.447 -4.113 -1.918 1.00 0.00 N ATOM 1525 CA HIS A 102 7.288 -4.168 -3.102 1.00 0.00 C ATOM 1526 C HIS A 102 7.481 -2.757 -3.660 1.00 0.00 C ATOM 1527 O HIS A 102 7.068 -2.467 -4.782 1.00 0.00 O ATOM 1528 CB HIS A 102 6.710 -5.140 -4.134 1.00 0.00 C ATOM 1529 CG HIS A 102 7.219 -6.555 -3.997 1.00 0.00 C ATOM 1530 ND1 HIS A 102 8.544 -6.898 -4.201 1.00 0.00 N ATOM 1531 CD2 HIS A 102 6.568 -7.709 -3.674 1.00 0.00 C ATOM 1532 CE1 HIS A 102 8.673 -8.202 -4.008 1.00 0.00 C ATOM 1533 NE2 HIS A 102 7.447 -8.703 -3.682 1.00 0.00 N ATOM 0 H HIS A 102 5.940 -3.236 -1.795 1.00 0.00 H new ATOM 0 HA HIS A 102 8.272 -4.554 -2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 102 5.624 -5.145 -4.045 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.946 -4.775 -5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.515 -7.799 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 102 9.588 -8.769 -4.094 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.240 -9.681 -3.478 1.00 0.00 H new ATOM 1541 N VAL A 103 8.110 -1.917 -2.852 1.00 0.00 N ATOM 1542 CA VAL A 103 8.364 -0.543 -3.251 1.00 0.00 C ATOM 1543 C VAL A 103 9.701 -0.085 -2.665 1.00 0.00 C ATOM 1544 O VAL A 103 9.849 0.010 -1.448 1.00 0.00 O ATOM 1545 CB VAL A 103 7.192 0.348 -2.834 1.00 0.00 C ATOM 1546 CG1 VAL A 103 7.439 1.803 -3.235 1.00 0.00 C ATOM 1547 CG2 VAL A 103 5.876 -0.167 -3.421 1.00 0.00 C ATOM 0 H VAL A 103 8.452 -2.161 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 103 8.442 -0.468 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 103 7.112 0.309 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.591 2.414 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 103 8.344 2.166 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.558 1.867 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.059 0.484 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 103 5.941 -0.173 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.690 -1.180 -3.063 1.00 0.00 H new ATOM 1557 N HIS A 104 10.640 0.188 -3.559 1.00 0.00 N ATOM 1558 CA HIS A 104 11.960 0.634 -3.146 1.00 0.00 C ATOM 1559 C HIS A 104 12.357 1.874 -3.949 1.00 0.00 C ATOM 1560 O HIS A 104 11.752 2.172 -4.978 1.00 0.00 O ATOM 1561 CB HIS A 104 12.979 -0.501 -3.266 1.00 0.00 C ATOM 1562 CG HIS A 104 13.725 -0.794 -1.986 1.00 0.00 C ATOM 1563 ND1 HIS A 104 15.089 -0.605 -1.853 1.00 0.00 N ATOM 1564 CD2 HIS A 104 13.283 -1.263 -0.784 1.00 0.00 C ATOM 1565 CE1 HIS A 104 15.442 -0.949 -0.623 1.00 0.00 C ATOM 1566 NE2 HIS A 104 14.321 -1.357 0.038 1.00 0.00 N ATOM 0 H HIS A 104 10.513 0.109 -4.568 1.00 0.00 H new ATOM 0 HA HIS A 104 11.940 0.916 -2.093 1.00 0.00 H new ATOM 0 HB2 HIS A 104 12.464 -1.405 -3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 104 13.699 -0.248 -4.045 1.00 0.00 H new ATOM 0 HD2 HIS A 104 12.261 -1.515 -0.542 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.442 -0.913 -0.216 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.286 -1.681 1.005 1.00 0.00 H new ATOM 1574 N GLN A 105 13.371 2.564 -3.448 1.00 0.00 N ATOM 1575 CA GLN A 105 13.856 3.766 -4.105 1.00 0.00 C ATOM 1576 C GLN A 105 14.626 3.401 -5.376 1.00 0.00 C ATOM 1577 O GLN A 105 15.393 2.440 -5.388 1.00 0.00 O ATOM 1578 CB GLN A 105 14.724 4.597 -3.158 1.00 0.00 C ATOM 1579 CG GLN A 105 14.108 5.977 -2.919 1.00 0.00 C ATOM 1580 CD GLN A 105 15.193 7.049 -2.805 1.00 0.00 C ATOM 1581 OE1 GLN A 105 16.077 6.987 -1.967 1.00 0.00 O ATOM 1582 NE2 GLN A 105 15.077 8.033 -3.692 1.00 0.00 N ATOM 0 H GLN A 105 13.870 2.314 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 105 12.997 4.375 -4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.835 4.075 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 105 15.723 4.709 -3.579 1.00 0.00 H new ATOM 0 HG2 GLN A 105 13.432 6.224 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.511 5.960 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.312 8.024 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.753 8.797 -3.697 1.00 0.00 H new ATOM 1591 N LEU A 106 14.394 4.188 -6.417 1.00 0.00 N ATOM 1592 CA LEU A 106 15.056 3.961 -7.690 1.00 0.00 C ATOM 1593 C LEU A 106 14.891 5.198 -8.574 1.00 0.00 C ATOM 1594 O LEU A 106 14.020 5.235 -9.441 1.00 0.00 O ATOM 1595 CB LEU A 106 14.546 2.671 -8.336 1.00 0.00 C ATOM 1596 CG LEU A 106 15.171 2.302 -9.682 1.00 0.00 C ATOM 1597 CD1 LEU A 106 16.593 1.767 -9.498 1.00 0.00 C ATOM 1598 CD2 LEU A 106 14.284 1.319 -10.449 1.00 0.00 C ATOM 0 H LEU A 106 13.756 4.984 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 106 16.126 3.815 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.716 1.848 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.468 2.757 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 106 15.242 3.208 -10.284 1.00 0.00 H new ATOM 0 HD11 LEU A 106 17.014 1.512 -10.470 1.00 0.00 H new ATOM 0 HD12 LEU A 106 17.210 2.530 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 106 16.568 0.877 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.752 1.074 -11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.157 0.409 -9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.310 1.773 -10.630 1.00 0.00 H new ATOM 1610 N SER A 107 15.742 6.182 -8.324 1.00 0.00 N ATOM 1611 CA SER A 107 15.702 7.418 -9.087 1.00 0.00 C ATOM 1612 C SER A 107 16.629 8.456 -8.450 1.00 0.00 C ATOM 1613 O SER A 107 17.060 8.293 -7.310 1.00 0.00 O ATOM 1614 CB SER A 107 14.276 7.965 -9.175 1.00 0.00 C ATOM 1615 OG SER A 107 13.666 7.665 -10.428 1.00 0.00 O ATOM 0 H SER A 107 16.463 6.149 -7.604 1.00 0.00 H new ATOM 0 HA SER A 107 16.045 7.206 -10.100 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.675 7.543 -8.369 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.292 9.045 -9.029 1.00 0.00 H new ATOM 0 HG SER A 107 13.634 6.693 -10.552 1.00 0.00 H new ATOM 1621 N SER A 108 16.909 9.501 -9.216 1.00 0.00 N ATOM 1622 CA SER A 108 17.777 10.565 -8.741 1.00 0.00 C ATOM 1623 C SER A 108 17.397 11.888 -9.410 1.00 0.00 C ATOM 1624 O SER A 108 18.021 12.293 -10.390 1.00 0.00 O ATOM 1625 CB SER A 108 19.247 10.238 -9.009 1.00 0.00 C ATOM 1626 OG SER A 108 19.959 9.956 -7.807 1.00 0.00 O ATOM 0 H SER A 108 16.550 9.633 -10.162 1.00 0.00 H new ATOM 0 HA SER A 108 17.645 10.659 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 108 19.311 9.380 -9.678 1.00 0.00 H new ATOM 0 HB3 SER A 108 19.718 11.077 -9.521 1.00 0.00 H new ATOM 0 HG SER A 108 20.893 9.750 -8.021 1.00 0.00 H new ATOM 1632 N HIS A 109 16.377 12.524 -8.854 1.00 0.00 N ATOM 1633 CA HIS A 109 15.907 13.792 -9.385 1.00 0.00 C ATOM 1634 C HIS A 109 16.236 14.915 -8.399 1.00 0.00 C ATOM 1635 O HIS A 109 15.814 14.875 -7.245 1.00 0.00 O ATOM 1636 CB HIS A 109 14.417 13.720 -9.726 1.00 0.00 C ATOM 1637 CG HIS A 109 14.059 14.345 -11.053 1.00 0.00 C ATOM 1638 ND1 HIS A 109 13.478 13.630 -12.086 1.00 0.00 N ATOM 1639 CD2 HIS A 109 14.206 15.623 -11.505 1.00 0.00 C ATOM 1640 CE1 HIS A 109 13.288 14.451 -13.108 1.00 0.00 C ATOM 1641 NE2 HIS A 109 13.741 15.686 -12.747 1.00 0.00 N ATOM 0 H HIS A 109 15.863 12.185 -8.041 1.00 0.00 H new ATOM 0 HA HIS A 109 16.424 14.013 -10.319 1.00 0.00 H new ATOM 0 HB2 HIS A 109 14.107 12.675 -9.733 1.00 0.00 H new ATOM 0 HB3 HIS A 109 13.850 14.216 -8.938 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.629 16.445 -10.947 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.851 14.189 -14.060 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.725 16.520 -13.334 1.00 0.00 H new ATOM 1649 N SER A 110 16.987 15.890 -8.891 1.00 0.00 N ATOM 1650 CA SER A 110 17.378 17.021 -8.068 1.00 0.00 C ATOM 1651 C SER A 110 16.615 18.274 -8.504 1.00 0.00 C ATOM 1652 O SER A 110 16.701 18.686 -9.660 1.00 0.00 O ATOM 1653 CB SER A 110 18.886 17.264 -8.146 1.00 0.00 C ATOM 1654 OG SER A 110 19.491 17.287 -6.856 1.00 0.00 O ATOM 0 H SER A 110 17.335 15.919 -9.849 1.00 0.00 H new ATOM 0 HA SER A 110 17.128 16.793 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 110 19.348 16.483 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 110 19.075 18.211 -8.652 1.00 0.00 H new ATOM 0 HG SER A 110 20.454 17.443 -6.949 1.00 0.00 H new ATOM 1660 N ARG A 111 15.886 18.844 -7.556 1.00 0.00 N ATOM 1661 CA ARG A 111 15.109 20.041 -7.828 1.00 0.00 C ATOM 1662 C ARG A 111 15.408 21.117 -6.782 1.00 0.00 C ATOM 1663 O ARG A 111 15.212 20.898 -5.588 1.00 0.00 O ATOM 1664 CB ARG A 111 13.609 19.737 -7.823 1.00 0.00 C ATOM 1665 CG ARG A 111 12.810 20.911 -8.393 1.00 0.00 C ATOM 1666 CD ARG A 111 11.507 21.115 -7.617 1.00 0.00 C ATOM 1667 NE ARG A 111 10.603 22.011 -8.372 1.00 0.00 N ATOM 1668 CZ ARG A 111 9.429 22.459 -7.908 1.00 0.00 C ATOM 1669 NH1 ARG A 111 9.009 22.097 -6.688 1.00 0.00 N ATOM 1670 NH2 ARG A 111 8.675 23.269 -8.663 1.00 0.00 N ATOM 0 H ARG A 111 15.817 18.499 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 111 15.392 20.402 -8.817 1.00 0.00 H new ATOM 0 HB2 ARG A 111 13.414 18.840 -8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 111 13.280 19.529 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.410 21.820 -8.349 1.00 0.00 H new ATOM 0 HG3 ARG A 111 12.587 20.728 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.021 20.154 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.721 21.542 -6.637 1.00 0.00 H new ATOM 0 HE ARG A 111 10.892 22.306 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.583 21.481 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.115 22.438 -6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.995 23.545 -9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 111 7.781 23.610 -8.309 1.00 0.00 H new ATOM 1684 N SER A 112 15.877 22.256 -7.269 1.00 0.00 N ATOM 1685 CA SER A 112 16.205 23.367 -6.391 1.00 0.00 C ATOM 1686 C SER A 112 15.056 24.378 -6.375 1.00 0.00 C ATOM 1687 O SER A 112 14.379 24.570 -7.383 1.00 0.00 O ATOM 1688 CB SER A 112 17.504 24.047 -6.826 1.00 0.00 C ATOM 1689 OG SER A 112 18.629 23.181 -6.699 1.00 0.00 O ATOM 0 H SER A 112 16.038 22.434 -8.260 1.00 0.00 H new ATOM 0 HA SER A 112 16.351 22.976 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.413 24.373 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.665 24.941 -6.223 1.00 0.00 H new ATOM 0 HG SER A 112 19.438 23.652 -6.988 1.00 0.00 H new ATOM 1695 N GLY A 113 14.872 24.997 -5.218 1.00 0.00 N ATOM 1696 CA GLY A 113 13.818 25.983 -5.057 1.00 0.00 C ATOM 1697 C GLY A 113 13.421 26.126 -3.586 1.00 0.00 C ATOM 1698 O GLY A 113 12.605 25.356 -3.082 1.00 0.00 O ATOM 0 H GLY A 113 15.435 24.834 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 113 14.154 26.946 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 113 12.948 25.690 -5.645 1.00 0.00 H new ATOM 1702 N PRO A 114 14.032 27.144 -2.922 1.00 0.00 N ATOM 1703 CA PRO A 114 13.751 27.398 -1.520 1.00 0.00 C ATOM 1704 C PRO A 114 12.383 28.060 -1.346 1.00 0.00 C ATOM 1705 O PRO A 114 11.610 27.676 -0.469 1.00 0.00 O ATOM 1706 CB PRO A 114 14.899 28.271 -1.040 1.00 0.00 C ATOM 1707 CG PRO A 114 15.530 28.856 -2.293 1.00 0.00 C ATOM 1708 CD PRO A 114 15.003 28.076 -3.487 1.00 0.00 C ATOM 0 HA PRO A 114 13.691 26.483 -0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.540 29.060 -0.379 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.624 27.686 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.282 29.913 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.617 28.787 -2.241 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.538 28.737 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 114 15.806 27.548 -4.001 1.00 0.00 H new ATOM 1716 N SER A 115 12.125 29.044 -2.195 1.00 0.00 N ATOM 1717 CA SER A 115 10.864 29.763 -2.146 1.00 0.00 C ATOM 1718 C SER A 115 10.726 30.488 -0.806 1.00 0.00 C ATOM 1719 O SER A 115 10.651 29.851 0.244 1.00 0.00 O ATOM 1720 CB SER A 115 9.681 28.817 -2.362 1.00 0.00 C ATOM 1721 OG SER A 115 8.433 29.504 -2.320 1.00 0.00 O ATOM 0 H SER A 115 12.768 29.360 -2.921 1.00 0.00 H new ATOM 0 HA SER A 115 10.858 30.498 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.788 28.317 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 115 9.693 28.041 -1.597 1.00 0.00 H new ATOM 0 HG SER A 115 7.703 28.866 -2.464 1.00 0.00 H new ATOM 1727 N SER A 116 10.697 31.810 -0.884 1.00 0.00 N ATOM 1728 CA SER A 116 10.570 32.628 0.310 1.00 0.00 C ATOM 1729 C SER A 116 9.265 33.425 0.261 1.00 0.00 C ATOM 1730 O SER A 116 8.909 33.978 -0.779 1.00 0.00 O ATOM 1731 CB SER A 116 11.764 33.573 0.460 1.00 0.00 C ATOM 1732 OG SER A 116 12.686 33.116 1.446 1.00 0.00 O ATOM 0 H SER A 116 10.759 32.335 -1.756 1.00 0.00 H new ATOM 0 HA SER A 116 10.553 31.968 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 116 12.275 33.667 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.408 34.567 0.730 1.00 0.00 H new ATOM 0 HG SER A 116 13.435 33.745 1.511 1.00 0.00 H new ATOM 1738 N GLY A 117 8.587 33.460 1.399 1.00 0.00 N ATOM 1739 CA GLY A 117 7.330 34.180 1.500 1.00 0.00 C ATOM 1740 C GLY A 117 6.148 33.272 1.152 1.00 0.00 C ATOM 1741 O GLY A 117 5.187 33.179 1.913 1.00 0.00 O ATOM 0 H GLY A 117 8.885 33.001 2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 117 7.209 34.568 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 117 7.344 35.039 0.829 1.00 0.00 H new TER 1745 GLY A 117