USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 ASN : amide:sc= -1.84 X(o=-3.6,f=-3.7!) USER MOD Set 1.2: A 90 GLN : amide:sc= -1.81 K(o=-3.6,f=-0.58) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 38:sc= 0.446 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 158:sc= -0.199 (180deg=-0.987) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.849 K(o=-0.85,f=-2.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.389 K(o=-0.39,f=-3.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00373 X(o=-0.0037,f=-0.17) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -66:sc= 0.0209 USER MOD Single : A 27 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.011) USER MOD Single : A 28 SER OG : rot 177:sc= -0.655 USER MOD Single : A 36 ASN : amide:sc= -0.276 K(o=-0.28,f=-2.4!) USER MOD Single : A 37 THR OG1 : rot 54:sc= 0.461! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= 1.16 (180deg=-0.532) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -28:sc= 0.06 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 150:sc= -3.61! USER MOD Single : A 58 CYS SG : rot 40:sc= -0.829 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -6.3! C(o=-6.3!,f=-7.4!) USER MOD Single : A 69 TYR OH : rot -24:sc= -1.68 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00677 X(o=-0.0068,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -5.99! K(o=-6!,f=-4.7) USER MOD Single : A 83 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.1!) USER MOD Single : A 96 MET CE :methyl 151:sc= -2.33 (180deg=-4.68!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.494 14.128 2.350 1.00 0.00 N ATOM 2 CA GLY A 1 18.900 14.014 2.002 1.00 0.00 C ATOM 3 C GLY A 1 19.288 12.554 1.758 1.00 0.00 C ATOM 4 O GLY A 1 19.355 11.761 2.696 1.00 0.00 O ATOM 0 H1 GLY A 1 17.256 15.128 2.510 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.913 13.754 1.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.306 13.584 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.106 14.603 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.511 14.427 2.804 1.00 0.00 H new ATOM 8 N SER A 2 19.534 12.243 0.494 1.00 0.00 N ATOM 9 CA SER A 2 19.913 10.892 0.116 1.00 0.00 C ATOM 10 C SER A 2 20.911 10.935 -1.044 1.00 0.00 C ATOM 11 O SER A 2 20.901 11.871 -1.842 1.00 0.00 O ATOM 12 CB SER A 2 18.687 10.063 -0.269 1.00 0.00 C ATOM 13 OG SER A 2 18.229 10.366 -1.584 1.00 0.00 O ATOM 0 H SER A 2 19.478 12.903 -0.282 1.00 0.00 H new ATOM 0 HA SER A 2 20.384 10.415 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.932 9.003 -0.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.885 10.248 0.446 1.00 0.00 H new ATOM 0 HG SER A 2 17.446 9.815 -1.793 1.00 0.00 H new ATOM 19 N SER A 3 21.747 9.909 -1.100 1.00 0.00 N ATOM 20 CA SER A 3 22.749 9.817 -2.149 1.00 0.00 C ATOM 21 C SER A 3 23.305 8.393 -2.218 1.00 0.00 C ATOM 22 O SER A 3 23.310 7.676 -1.219 1.00 0.00 O ATOM 23 CB SER A 3 23.882 10.819 -1.917 1.00 0.00 C ATOM 24 OG SER A 3 24.559 11.148 -3.127 1.00 0.00 O ATOM 0 H SER A 3 21.751 9.134 -0.436 1.00 0.00 H new ATOM 0 HA SER A 3 22.274 10.061 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.477 11.727 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.594 10.403 -1.205 1.00 0.00 H new ATOM 0 HG SER A 3 25.274 11.791 -2.937 1.00 0.00 H new ATOM 30 N GLY A 4 23.760 8.027 -3.407 1.00 0.00 N ATOM 31 CA GLY A 4 24.317 6.702 -3.620 1.00 0.00 C ATOM 32 C GLY A 4 25.752 6.619 -3.094 1.00 0.00 C ATOM 33 O GLY A 4 26.661 7.222 -3.663 1.00 0.00 O ATOM 0 H GLY A 4 23.754 8.625 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.698 5.958 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.301 6.464 -4.684 1.00 0.00 H new ATOM 37 N SER A 5 25.910 5.868 -2.014 1.00 0.00 N ATOM 38 CA SER A 5 27.218 5.699 -1.405 1.00 0.00 C ATOM 39 C SER A 5 27.131 4.703 -0.247 1.00 0.00 C ATOM 40 O SER A 5 26.481 4.974 0.762 1.00 0.00 O ATOM 41 CB SER A 5 27.774 7.037 -0.914 1.00 0.00 C ATOM 42 OG SER A 5 26.896 7.674 0.010 1.00 0.00 O ATOM 0 H SER A 5 25.154 5.370 -1.545 1.00 0.00 H new ATOM 0 HA SER A 5 27.900 5.309 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.743 6.875 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.942 7.695 -1.767 1.00 0.00 H new ATOM 0 HG SER A 5 26.486 6.999 0.590 1.00 0.00 H new ATOM 48 N SER A 6 27.796 3.572 -0.430 1.00 0.00 N ATOM 49 CA SER A 6 27.802 2.534 0.587 1.00 0.00 C ATOM 50 C SER A 6 28.727 2.935 1.738 1.00 0.00 C ATOM 51 O SER A 6 29.772 3.546 1.515 1.00 0.00 O ATOM 52 CB SER A 6 28.237 1.190 0.000 1.00 0.00 C ATOM 53 OG SER A 6 27.891 0.100 0.850 1.00 0.00 O ATOM 0 H SER A 6 28.335 3.351 -1.268 1.00 0.00 H new ATOM 0 HA SER A 6 26.787 2.422 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.770 1.052 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.315 1.196 -0.161 1.00 0.00 H new ATOM 0 HG SER A 6 28.184 -0.740 0.440 1.00 0.00 H new ATOM 59 N GLY A 7 28.310 2.576 2.943 1.00 0.00 N ATOM 60 CA GLY A 7 29.088 2.891 4.129 1.00 0.00 C ATOM 61 C GLY A 7 29.090 4.396 4.400 1.00 0.00 C ATOM 62 O GLY A 7 29.872 5.137 3.806 1.00 0.00 O ATOM 0 H GLY A 7 27.443 2.070 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.676 2.364 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.112 2.540 4.000 1.00 0.00 H new ATOM 66 N MET A 8 28.205 4.804 5.298 1.00 0.00 N ATOM 67 CA MET A 8 28.095 6.208 5.656 1.00 0.00 C ATOM 68 C MET A 8 27.035 6.417 6.739 1.00 0.00 C ATOM 69 O MET A 8 26.075 5.653 6.829 1.00 0.00 O ATOM 70 CB MET A 8 27.723 7.023 4.415 1.00 0.00 C ATOM 71 CG MET A 8 26.321 6.662 3.921 1.00 0.00 C ATOM 72 SD MET A 8 25.224 8.055 4.123 1.00 0.00 S ATOM 73 CE MET A 8 23.678 7.199 4.373 1.00 0.00 C ATOM 0 H MET A 8 27.558 4.187 5.788 1.00 0.00 H new ATOM 0 HA MET A 8 29.057 6.540 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 8 27.768 8.087 4.648 1.00 0.00 H new ATOM 0 HB3 MET A 8 28.450 6.839 3.624 1.00 0.00 H new ATOM 0 HG2 MET A 8 26.361 6.369 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 8 25.940 5.805 4.477 1.00 0.00 H new ATOM 0 HE1 MET A 8 22.978 7.856 4.889 1.00 0.00 H new ATOM 0 HE2 MET A 8 23.261 6.911 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.849 6.306 4.975 1.00 0.00 H new ATOM 83 N SER A 9 27.245 7.455 7.536 1.00 0.00 N ATOM 84 CA SER A 9 26.319 7.773 8.610 1.00 0.00 C ATOM 85 C SER A 9 25.158 8.610 8.069 1.00 0.00 C ATOM 86 O SER A 9 25.195 9.065 6.927 1.00 0.00 O ATOM 87 CB SER A 9 27.027 8.517 9.744 1.00 0.00 C ATOM 88 OG SER A 9 26.657 8.014 11.025 1.00 0.00 O ATOM 0 H SER A 9 28.043 8.086 7.459 1.00 0.00 H new ATOM 0 HA SER A 9 25.928 6.839 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 9 28.106 8.428 9.618 1.00 0.00 H new ATOM 0 HB3 SER A 9 26.785 9.578 9.688 1.00 0.00 H new ATOM 0 HG SER A 9 27.131 8.514 11.722 1.00 0.00 H new ATOM 94 N LEU A 10 24.155 8.787 8.916 1.00 0.00 N ATOM 95 CA LEU A 10 22.985 9.562 8.538 1.00 0.00 C ATOM 96 C LEU A 10 22.493 10.359 9.747 1.00 0.00 C ATOM 97 O LEU A 10 22.319 11.574 9.665 1.00 0.00 O ATOM 98 CB LEU A 10 21.916 8.654 7.925 1.00 0.00 C ATOM 99 CG LEU A 10 21.776 7.265 8.552 1.00 0.00 C ATOM 100 CD1 LEU A 10 20.493 7.164 9.379 1.00 0.00 C ATOM 101 CD2 LEU A 10 21.859 6.171 7.486 1.00 0.00 C ATOM 0 H LEU A 10 24.128 8.407 9.862 1.00 0.00 H new ATOM 0 HA LEU A 10 23.242 10.284 7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 10 20.954 9.161 7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.136 8.532 6.864 1.00 0.00 H new ATOM 0 HG LEU A 10 22.612 7.112 9.235 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.418 6.167 9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.515 7.907 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.631 7.346 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 10 21.757 5.194 7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 10 21.058 6.309 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 10 22.822 6.230 6.979 1.00 0.00 H new ATOM 113 N LYS A 11 22.285 9.644 10.843 1.00 0.00 N ATOM 114 CA LYS A 11 21.817 10.270 12.068 1.00 0.00 C ATOM 115 C LYS A 11 20.447 10.905 11.820 1.00 0.00 C ATOM 116 O LYS A 11 19.880 10.764 10.738 1.00 0.00 O ATOM 117 CB LYS A 11 22.863 11.251 12.601 1.00 0.00 C ATOM 118 CG LYS A 11 23.510 10.720 13.881 1.00 0.00 C ATOM 119 CD LYS A 11 24.856 11.401 14.139 1.00 0.00 C ATOM 120 CE LYS A 11 25.892 10.395 14.642 1.00 0.00 C ATOM 121 NZ LYS A 11 26.592 10.924 15.835 1.00 0.00 N ATOM 0 H LYS A 11 22.432 8.637 10.908 1.00 0.00 H new ATOM 0 HA LYS A 11 21.685 9.524 12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 11 23.629 11.418 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.395 12.215 12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.844 10.891 14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.653 9.642 13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.213 11.868 13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 11 24.730 12.197 14.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 25.403 9.453 14.888 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.614 10.183 13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.292 10.229 16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 27.075 11.812 15.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.901 11.104 16.591 1.00 0.00 H new ATOM 135 N LEU A 12 19.956 11.592 12.841 1.00 0.00 N ATOM 136 CA LEU A 12 18.664 12.250 12.747 1.00 0.00 C ATOM 137 C LEU A 12 18.574 13.343 13.814 1.00 0.00 C ATOM 138 O LEU A 12 18.696 13.064 15.006 1.00 0.00 O ATOM 139 CB LEU A 12 17.533 11.223 12.823 1.00 0.00 C ATOM 140 CG LEU A 12 16.337 11.471 11.901 1.00 0.00 C ATOM 141 CD1 LEU A 12 15.632 12.781 12.259 1.00 0.00 C ATOM 142 CD2 LEU A 12 16.760 11.431 10.432 1.00 0.00 C ATOM 0 H LEU A 12 20.429 11.707 13.737 1.00 0.00 H new ATOM 0 HA LEU A 12 18.555 12.739 11.779 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.945 10.240 12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 12 17.172 11.185 13.851 1.00 0.00 H new ATOM 0 HG LEU A 12 15.617 10.666 12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.786 12.934 11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 12 15.276 12.733 13.288 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.331 13.611 12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 12 15.891 11.610 9.798 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.509 12.202 10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.182 10.453 10.201 1.00 0.00 H new ATOM 154 N GLN A 13 18.362 14.565 13.347 1.00 0.00 N ATOM 155 CA GLN A 13 18.255 15.701 14.247 1.00 0.00 C ATOM 156 C GLN A 13 17.886 16.964 13.465 1.00 0.00 C ATOM 157 O GLN A 13 18.665 17.914 13.409 1.00 0.00 O ATOM 158 CB GLN A 13 19.552 15.903 15.033 1.00 0.00 C ATOM 159 CG GLN A 13 20.715 16.236 14.096 1.00 0.00 C ATOM 160 CD GLN A 13 21.302 17.612 14.418 1.00 0.00 C ATOM 161 OE1 GLN A 13 21.129 18.151 15.499 1.00 0.00 O ATOM 162 NE2 GLN A 13 22.003 18.147 13.423 1.00 0.00 N ATOM 0 H GLN A 13 18.262 14.793 12.358 1.00 0.00 H new ATOM 0 HA GLN A 13 17.462 15.496 14.966 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.421 16.708 15.756 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.783 15.000 15.599 1.00 0.00 H new ATOM 0 HG2 GLN A 13 21.490 15.475 14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 13 20.371 16.216 13.062 1.00 0.00 H new ATOM 0 HE21 GLN A 13 22.108 17.641 12.544 1.00 0.00 H new ATOM 0 HE22 GLN A 13 22.436 19.063 13.539 1.00 0.00 H new ATOM 171 N ALA A 14 16.697 16.933 12.881 1.00 0.00 N ATOM 172 CA ALA A 14 16.215 18.063 12.105 1.00 0.00 C ATOM 173 C ALA A 14 14.713 18.235 12.341 1.00 0.00 C ATOM 174 O ALA A 14 14.021 17.276 12.681 1.00 0.00 O ATOM 175 CB ALA A 14 16.552 17.850 10.628 1.00 0.00 C ATOM 0 H ALA A 14 16.053 16.143 12.930 1.00 0.00 H new ATOM 0 HA ALA A 14 16.706 18.983 12.422 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.190 18.698 10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.632 17.763 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.074 16.937 10.274 1.00 0.00 H new ATOM 181 N SER A 15 14.253 19.463 12.152 1.00 0.00 N ATOM 182 CA SER A 15 12.846 19.772 12.340 1.00 0.00 C ATOM 183 C SER A 15 12.563 21.211 11.902 1.00 0.00 C ATOM 184 O SER A 15 13.301 22.128 12.259 1.00 0.00 O ATOM 185 CB SER A 15 12.427 19.569 13.797 1.00 0.00 C ATOM 186 OG SER A 15 11.029 19.328 13.922 1.00 0.00 O ATOM 0 H SER A 15 14.830 20.256 11.871 1.00 0.00 H new ATOM 0 HA SER A 15 12.261 19.089 11.724 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.979 18.729 14.219 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.696 20.451 14.378 1.00 0.00 H new ATOM 0 HG SER A 15 10.802 19.202 14.867 1.00 0.00 H new ATOM 192 N ASN A 16 11.494 21.363 11.135 1.00 0.00 N ATOM 193 CA ASN A 16 11.105 22.674 10.644 1.00 0.00 C ATOM 194 C ASN A 16 9.580 22.746 10.548 1.00 0.00 C ATOM 195 O ASN A 16 8.942 21.824 10.040 1.00 0.00 O ATOM 196 CB ASN A 16 11.680 22.934 9.251 1.00 0.00 C ATOM 197 CG ASN A 16 12.599 24.157 9.256 1.00 0.00 C ATOM 198 OD1 ASN A 16 12.751 24.847 10.250 1.00 0.00 O ATOM 199 ND2 ASN A 16 13.200 24.386 8.092 1.00 0.00 N ATOM 0 H ASN A 16 10.885 20.600 10.841 1.00 0.00 H new ATOM 0 HA ASN A 16 11.490 23.421 11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.235 22.059 8.914 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.867 23.088 8.541 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.833 25.180 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.028 23.768 7.299 1.00 0.00 H new ATOM 206 N VAL A 17 9.038 23.849 11.042 1.00 0.00 N ATOM 207 CA VAL A 17 7.600 24.053 11.018 1.00 0.00 C ATOM 208 C VAL A 17 7.274 25.246 10.117 1.00 0.00 C ATOM 209 O VAL A 17 7.268 26.389 10.572 1.00 0.00 O ATOM 210 CB VAL A 17 7.071 24.219 12.444 1.00 0.00 C ATOM 211 CG1 VAL A 17 5.640 24.762 12.438 1.00 0.00 C ATOM 212 CG2 VAL A 17 7.154 22.900 13.216 1.00 0.00 C ATOM 0 H VAL A 17 9.570 24.612 11.462 1.00 0.00 H new ATOM 0 HA VAL A 17 7.097 23.181 10.599 1.00 0.00 H new ATOM 0 HB VAL A 17 7.703 24.946 12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.288 24.871 13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.621 25.733 11.943 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.990 24.070 11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.772 23.045 14.226 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.557 22.143 12.708 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.192 22.571 13.264 1.00 0.00 H new ATOM 222 N THR A 18 7.010 24.939 8.855 1.00 0.00 N ATOM 223 CA THR A 18 6.683 25.971 7.887 1.00 0.00 C ATOM 224 C THR A 18 5.484 25.545 7.037 1.00 0.00 C ATOM 225 O THR A 18 5.016 24.412 7.141 1.00 0.00 O ATOM 226 CB THR A 18 7.939 26.261 7.063 1.00 0.00 C ATOM 227 OG1 THR A 18 8.081 25.113 6.230 1.00 0.00 O ATOM 228 CG2 THR A 18 9.211 26.263 7.914 1.00 0.00 C ATOM 0 H THR A 18 7.016 23.990 8.481 1.00 0.00 H new ATOM 0 HA THR A 18 6.380 26.894 8.381 1.00 0.00 H new ATOM 0 HB THR A 18 7.832 27.226 6.567 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.871 25.218 5.660 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.072 26.474 7.280 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.132 27.029 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.336 25.287 8.384 1.00 0.00 H new ATOM 236 N ASN A 19 5.022 26.475 6.215 1.00 0.00 N ATOM 237 CA ASN A 19 3.886 26.210 5.348 1.00 0.00 C ATOM 238 C ASN A 19 4.374 25.523 4.071 1.00 0.00 C ATOM 239 O ASN A 19 4.781 26.189 3.120 1.00 0.00 O ATOM 240 CB ASN A 19 3.184 27.510 4.947 1.00 0.00 C ATOM 241 CG ASN A 19 1.689 27.444 5.262 1.00 0.00 C ATOM 242 OD1 ASN A 19 1.022 26.448 5.032 1.00 0.00 O ATOM 243 ND2 ASN A 19 1.200 28.558 5.799 1.00 0.00 N ATOM 0 H ASN A 19 5.413 27.413 6.131 1.00 0.00 H new ATOM 0 HA ASN A 19 3.187 25.576 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.634 28.349 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.327 27.692 3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.212 28.615 6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.813 29.356 5.965 1.00 0.00 H new ATOM 250 N LYS A 20 4.319 24.200 4.091 1.00 0.00 N ATOM 251 CA LYS A 20 4.750 23.415 2.946 1.00 0.00 C ATOM 252 C LYS A 20 4.469 21.935 3.213 1.00 0.00 C ATOM 253 O LYS A 20 5.350 21.202 3.658 1.00 0.00 O ATOM 254 CB LYS A 20 6.214 23.713 2.614 1.00 0.00 C ATOM 255 CG LYS A 20 6.338 24.402 1.254 1.00 0.00 C ATOM 256 CD LYS A 20 7.543 25.345 1.225 1.00 0.00 C ATOM 257 CE LYS A 20 8.548 24.916 0.154 1.00 0.00 C ATOM 258 NZ LYS A 20 9.924 24.927 0.700 1.00 0.00 N ATOM 0 H LYS A 20 3.982 23.651 4.882 1.00 0.00 H new ATOM 0 HA LYS A 20 4.182 23.692 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.644 24.348 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.786 22.785 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.440 23.652 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.428 24.963 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.208 26.363 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.027 25.352 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.301 23.917 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.485 25.588 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.593 24.633 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.162 25.887 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.984 24.268 1.503 1.00 0.00 H new ATOM 272 N ASN A 21 3.236 21.540 2.929 1.00 0.00 N ATOM 273 CA ASN A 21 2.828 20.160 3.132 1.00 0.00 C ATOM 274 C ASN A 21 2.525 19.517 1.777 1.00 0.00 C ATOM 275 O ASN A 21 1.602 19.936 1.080 1.00 0.00 O ATOM 276 CB ASN A 21 1.560 20.081 3.986 1.00 0.00 C ATOM 277 CG ASN A 21 1.462 18.730 4.697 1.00 0.00 C ATOM 278 OD1 ASN A 21 2.448 18.056 4.943 1.00 0.00 O ATOM 279 ND2 ASN A 21 0.219 18.374 5.011 1.00 0.00 N ATOM 0 H ASN A 21 2.507 22.151 2.560 1.00 0.00 H new ATOM 0 HA ASN A 21 3.640 19.640 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.563 20.884 4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.683 20.229 3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.047 17.489 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.562 18.987 4.775 1.00 0.00 H new ATOM 286 N ASP A 22 3.321 18.511 1.445 1.00 0.00 N ATOM 287 CA ASP A 22 3.150 17.807 0.186 1.00 0.00 C ATOM 288 C ASP A 22 2.390 16.502 0.435 1.00 0.00 C ATOM 289 O ASP A 22 2.924 15.576 1.044 1.00 0.00 O ATOM 290 CB ASP A 22 4.502 17.455 -0.437 1.00 0.00 C ATOM 291 CG ASP A 22 5.557 16.953 0.551 1.00 0.00 C ATOM 292 OD1 ASP A 22 5.145 16.492 1.637 1.00 0.00 O ATOM 293 OD2 ASP A 22 6.753 17.041 0.197 1.00 0.00 O ATOM 0 H ASP A 22 4.086 18.167 2.026 1.00 0.00 H new ATOM 0 HA ASP A 22 2.599 18.459 -0.492 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.346 16.691 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.892 18.337 -0.945 1.00 0.00 H new ATOM 298 N PRO A 23 1.125 16.470 -0.061 1.00 0.00 N ATOM 299 CA PRO A 23 0.287 15.294 0.102 1.00 0.00 C ATOM 300 C PRO A 23 0.723 14.174 -0.844 1.00 0.00 C ATOM 301 O PRO A 23 0.146 13.088 -0.835 1.00 0.00 O ATOM 302 CB PRO A 23 -1.129 15.779 -0.165 1.00 0.00 C ATOM 303 CG PRO A 23 -0.984 17.091 -0.919 1.00 0.00 C ATOM 304 CD PRO A 23 0.460 17.547 -0.788 1.00 0.00 C ATOM 0 HA PRO A 23 0.364 14.859 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.687 15.050 -0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.675 15.922 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.249 16.960 -1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.660 17.842 -0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.916 17.705 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.530 18.491 -0.248 1.00 0.00 H new ATOM 312 N LYS A 24 1.739 14.477 -1.639 1.00 0.00 N ATOM 313 CA LYS A 24 2.260 13.509 -2.590 1.00 0.00 C ATOM 314 C LYS A 24 2.665 12.235 -1.845 1.00 0.00 C ATOM 315 O LYS A 24 2.636 11.144 -2.412 1.00 0.00 O ATOM 316 CB LYS A 24 3.392 14.124 -3.415 1.00 0.00 C ATOM 317 CG LYS A 24 2.897 14.537 -4.803 1.00 0.00 C ATOM 318 CD LYS A 24 3.961 15.345 -5.547 1.00 0.00 C ATOM 319 CE LYS A 24 3.432 15.837 -6.896 1.00 0.00 C ATOM 320 NZ LYS A 24 3.818 14.902 -7.977 1.00 0.00 N ATOM 0 H LYS A 24 2.215 15.379 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 24 1.489 13.228 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.795 14.993 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.206 13.406 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.640 13.649 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.987 15.129 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.267 16.197 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.847 14.730 -5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.347 15.928 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.828 16.830 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.451 15.251 -8.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.855 14.836 -8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.420 13.961 -7.781 1.00 0.00 H new ATOM 334 N SER A 25 3.032 12.417 -0.585 1.00 0.00 N ATOM 335 CA SER A 25 3.442 11.296 0.244 1.00 0.00 C ATOM 336 C SER A 25 2.224 10.690 0.945 1.00 0.00 C ATOM 337 O SER A 25 2.150 9.477 1.130 1.00 0.00 O ATOM 338 CB SER A 25 4.488 11.726 1.274 1.00 0.00 C ATOM 339 OG SER A 25 3.969 12.682 2.194 1.00 0.00 O ATOM 0 H SER A 25 3.054 13.324 -0.118 1.00 0.00 H new ATOM 0 HA SER A 25 3.895 10.542 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.840 10.851 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.351 12.149 0.760 1.00 0.00 H new ATOM 0 HG SER A 25 3.760 13.513 1.719 1.00 0.00 H new ATOM 345 N ILE A 26 1.300 11.564 1.316 1.00 0.00 N ATOM 346 CA ILE A 26 0.089 11.131 1.992 1.00 0.00 C ATOM 347 C ILE A 26 -0.753 10.288 1.032 1.00 0.00 C ATOM 348 O ILE A 26 -1.390 9.321 1.445 1.00 0.00 O ATOM 349 CB ILE A 26 -0.659 12.332 2.574 1.00 0.00 C ATOM 350 CG1 ILE A 26 0.037 12.855 3.832 1.00 0.00 C ATOM 351 CG2 ILE A 26 -2.128 11.991 2.831 1.00 0.00 C ATOM 352 CD1 ILE A 26 0.036 11.798 4.938 1.00 0.00 C ATOM 0 H ILE A 26 1.366 12.570 1.161 1.00 0.00 H new ATOM 0 HA ILE A 26 0.335 10.495 2.843 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.639 13.136 1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.063 13.137 3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.467 13.755 4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.637 12.862 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.604 11.704 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.191 11.164 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.537 12.195 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.992 11.536 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.562 10.909 4.592 1.00 0.00 H new ATOM 364 N ASN A 27 -0.728 10.686 -0.231 1.00 0.00 N ATOM 365 CA ASN A 27 -1.481 9.980 -1.254 1.00 0.00 C ATOM 366 C ASN A 27 -1.357 8.472 -1.023 1.00 0.00 C ATOM 367 O ASN A 27 -2.359 7.759 -1.001 1.00 0.00 O ATOM 368 CB ASN A 27 -0.939 10.290 -2.650 1.00 0.00 C ATOM 369 CG ASN A 27 -1.957 11.087 -3.469 1.00 0.00 C ATOM 370 OD1 ASN A 27 -2.445 12.127 -3.059 1.00 0.00 O ATOM 371 ND2 ASN A 27 -2.250 10.542 -4.646 1.00 0.00 N ATOM 0 H ASN A 27 -0.198 11.489 -0.570 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.520 10.303 -1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.011 10.856 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.700 9.360 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.920 10.997 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.805 9.669 -4.929 1.00 0.00 H new ATOM 378 N SER A 28 -0.118 8.032 -0.856 1.00 0.00 N ATOM 379 CA SER A 28 0.150 6.622 -0.627 1.00 0.00 C ATOM 380 C SER A 28 1.415 6.461 0.218 1.00 0.00 C ATOM 381 O SER A 28 2.527 6.540 -0.302 1.00 0.00 O ATOM 382 CB SER A 28 0.296 5.868 -1.950 1.00 0.00 C ATOM 383 OG SER A 28 0.105 4.465 -1.788 1.00 0.00 O ATOM 0 H SER A 28 0.711 8.627 -0.875 1.00 0.00 H new ATOM 0 HA SER A 28 -0.696 6.196 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.428 6.252 -2.668 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.286 6.054 -2.366 1.00 0.00 H new ATOM 0 HG SER A 28 0.152 4.025 -2.663 1.00 0.00 H new ATOM 389 N ARG A 29 1.203 6.238 1.507 1.00 0.00 N ATOM 390 CA ARG A 29 2.313 6.065 2.429 1.00 0.00 C ATOM 391 C ARG A 29 1.931 5.086 3.541 1.00 0.00 C ATOM 392 O ARG A 29 0.751 4.907 3.837 1.00 0.00 O ATOM 393 CB ARG A 29 2.723 7.400 3.053 1.00 0.00 C ATOM 394 CG ARG A 29 3.553 7.181 4.320 1.00 0.00 C ATOM 395 CD ARG A 29 4.047 8.513 4.889 1.00 0.00 C ATOM 396 NE ARG A 29 5.205 8.999 4.107 1.00 0.00 N ATOM 397 CZ ARG A 29 6.087 9.904 4.554 1.00 0.00 C ATOM 398 NH1 ARG A 29 5.947 10.427 5.779 1.00 0.00 N ATOM 399 NH2 ARG A 29 7.107 10.287 3.774 1.00 0.00 N ATOM 0 H ARG A 29 0.279 6.173 1.935 1.00 0.00 H new ATOM 0 HA ARG A 29 3.156 5.667 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.299 7.981 2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.833 7.982 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.952 6.663 5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.405 6.539 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.244 9.250 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.330 8.389 5.934 1.00 0.00 H new ATOM 0 HE ARG A 29 5.341 8.622 3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.169 10.137 6.372 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.618 11.116 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.212 9.890 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.778 10.976 4.114 1.00 0.00 H new ATOM 413 N VAL A 30 2.952 4.478 4.126 1.00 0.00 N ATOM 414 CA VAL A 30 2.739 3.521 5.199 1.00 0.00 C ATOM 415 C VAL A 30 3.740 3.791 6.324 1.00 0.00 C ATOM 416 O VAL A 30 4.886 4.153 6.066 1.00 0.00 O ATOM 417 CB VAL A 30 2.823 2.095 4.653 1.00 0.00 C ATOM 418 CG1 VAL A 30 2.929 1.077 5.790 1.00 0.00 C ATOM 419 CG2 VAL A 30 1.631 1.782 3.747 1.00 0.00 C ATOM 0 H VAL A 30 3.930 4.629 3.877 1.00 0.00 H new ATOM 0 HA VAL A 30 1.740 3.635 5.619 1.00 0.00 H new ATOM 0 HB VAL A 30 3.729 2.021 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.987 0.071 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.825 1.279 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.050 1.154 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.716 0.762 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.706 1.884 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.620 2.477 2.907 1.00 0.00 H new ATOM 429 N PHE A 31 3.269 3.605 7.549 1.00 0.00 N ATOM 430 CA PHE A 31 4.109 3.824 8.714 1.00 0.00 C ATOM 431 C PHE A 31 4.341 2.518 9.476 1.00 0.00 C ATOM 432 O PHE A 31 3.441 2.021 10.152 1.00 0.00 O ATOM 433 CB PHE A 31 3.366 4.805 9.623 1.00 0.00 C ATOM 434 CG PHE A 31 3.997 4.972 11.006 1.00 0.00 C ATOM 435 CD1 PHE A 31 5.101 5.751 11.160 1.00 0.00 C ATOM 436 CD2 PHE A 31 3.454 4.342 12.082 1.00 0.00 C ATOM 437 CE1 PHE A 31 5.687 5.906 12.445 1.00 0.00 C ATOM 438 CE2 PHE A 31 4.040 4.497 13.366 1.00 0.00 C ATOM 439 CZ PHE A 31 5.144 5.276 13.521 1.00 0.00 C ATOM 0 H PHE A 31 2.317 3.305 7.759 1.00 0.00 H new ATOM 0 HA PHE A 31 5.080 4.211 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.325 5.778 9.134 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.337 4.465 9.743 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.532 6.252 10.306 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.577 3.724 11.960 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.564 6.524 12.567 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.609 3.996 14.220 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.589 5.394 14.498 1.00 0.00 H new ATOM 449 N ILE A 32 5.552 1.998 9.341 1.00 0.00 N ATOM 450 CA ILE A 32 5.914 0.759 10.008 1.00 0.00 C ATOM 451 C ILE A 32 6.489 1.078 11.390 1.00 0.00 C ATOM 452 O ILE A 32 7.565 1.663 11.499 1.00 0.00 O ATOM 453 CB ILE A 32 6.852 -0.069 9.128 1.00 0.00 C ATOM 454 CG1 ILE A 32 6.179 -0.439 7.805 1.00 0.00 C ATOM 455 CG2 ILE A 32 7.361 -1.302 9.878 1.00 0.00 C ATOM 456 CD1 ILE A 32 6.878 0.239 6.625 1.00 0.00 C ATOM 0 H ILE A 32 6.296 2.413 8.779 1.00 0.00 H new ATOM 0 HA ILE A 32 5.031 0.139 10.165 1.00 0.00 H new ATOM 0 HB ILE A 32 7.722 0.542 8.886 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.200 -1.521 7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.131 -0.142 7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.026 -1.873 9.230 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.905 -0.987 10.769 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.516 -1.925 10.170 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.379 -0.041 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.833 1.321 6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.920 -0.079 6.588 1.00 0.00 H new ATOM 468 N GLY A 33 5.745 0.680 12.411 1.00 0.00 N ATOM 469 CA GLY A 33 6.166 0.915 13.781 1.00 0.00 C ATOM 470 C GLY A 33 6.630 -0.384 14.444 1.00 0.00 C ATOM 471 O GLY A 33 6.775 -1.407 13.777 1.00 0.00 O ATOM 0 H GLY A 33 4.852 0.196 12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.976 1.644 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.341 1.343 14.350 1.00 0.00 H new ATOM 475 N ASN A 34 6.850 -0.300 15.748 1.00 0.00 N ATOM 476 CA ASN A 34 7.294 -1.456 16.507 1.00 0.00 C ATOM 477 C ASN A 34 8.340 -2.223 15.695 1.00 0.00 C ATOM 478 O ASN A 34 8.397 -3.451 15.752 1.00 0.00 O ATOM 479 CB ASN A 34 6.130 -2.406 16.797 1.00 0.00 C ATOM 480 CG ASN A 34 6.162 -2.885 18.249 1.00 0.00 C ATOM 481 OD1 ASN A 34 6.881 -2.365 19.086 1.00 0.00 O ATOM 482 ND2 ASN A 34 5.345 -3.904 18.500 1.00 0.00 N ATOM 0 H ASN A 34 6.729 0.551 16.298 1.00 0.00 H new ATOM 0 HA ASN A 34 7.712 -1.100 17.449 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.185 -1.900 16.598 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.180 -3.264 16.126 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.294 -4.297 19.440 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.770 -4.292 17.753 1.00 0.00 H new ATOM 489 N LEU A 35 9.141 -1.468 14.959 1.00 0.00 N ATOM 490 CA LEU A 35 10.182 -2.062 14.137 1.00 0.00 C ATOM 491 C LEU A 35 11.513 -2.011 14.890 1.00 0.00 C ATOM 492 O LEU A 35 11.979 -0.935 15.261 1.00 0.00 O ATOM 493 CB LEU A 35 10.227 -1.390 12.763 1.00 0.00 C ATOM 494 CG LEU A 35 11.047 -2.111 11.691 1.00 0.00 C ATOM 495 CD1 LEU A 35 10.469 -3.496 11.397 1.00 0.00 C ATOM 496 CD2 LEU A 35 11.165 -1.259 10.425 1.00 0.00 C ATOM 0 H LEU A 35 9.091 -0.450 14.914 1.00 0.00 H new ATOM 0 HA LEU A 35 9.964 -3.113 13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.205 -1.282 12.399 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.630 -0.384 12.885 1.00 0.00 H new ATOM 0 HG LEU A 35 12.056 -2.258 12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.071 -3.986 10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.480 -4.096 12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.443 -3.394 11.042 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.752 -1.795 9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.170 -1.058 10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.657 -0.316 10.665 1.00 0.00 H new ATOM 508 N ASN A 36 12.086 -3.188 15.094 1.00 0.00 N ATOM 509 CA ASN A 36 13.354 -3.291 15.796 1.00 0.00 C ATOM 510 C ASN A 36 14.390 -2.406 15.102 1.00 0.00 C ATOM 511 O ASN A 36 15.279 -1.857 15.752 1.00 0.00 O ATOM 512 CB ASN A 36 13.875 -4.729 15.783 1.00 0.00 C ATOM 513 CG ASN A 36 14.563 -5.075 17.105 1.00 0.00 C ATOM 514 OD1 ASN A 36 14.360 -4.439 18.126 1.00 0.00 O ATOM 515 ND2 ASN A 36 15.387 -6.117 17.030 1.00 0.00 N ATOM 0 H ASN A 36 11.696 -4.078 14.785 1.00 0.00 H new ATOM 0 HA ASN A 36 13.195 -2.974 16.827 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.048 -5.417 15.608 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.577 -4.858 14.959 1.00 0.00 H new ATOM 0 HD21 ASN A 36 15.894 -6.427 17.859 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.512 -6.606 16.143 1.00 0.00 H new ATOM 522 N THR A 37 14.242 -2.294 13.790 1.00 0.00 N ATOM 523 CA THR A 37 15.155 -1.485 13.000 1.00 0.00 C ATOM 524 C THR A 37 16.603 -1.762 13.408 1.00 0.00 C ATOM 525 O THR A 37 17.479 -0.921 13.211 1.00 0.00 O ATOM 526 CB THR A 37 14.748 -0.019 13.162 1.00 0.00 C ATOM 527 OG1 THR A 37 14.420 0.099 14.543 1.00 0.00 O ATOM 528 CG2 THR A 37 13.440 0.309 12.439 1.00 0.00 C ATOM 0 H THR A 37 13.504 -2.750 13.254 1.00 0.00 H new ATOM 0 HA THR A 37 15.094 -1.740 11.942 1.00 0.00 H new ATOM 0 HB THR A 37 15.543 0.623 12.782 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.170 -0.223 15.086 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.197 1.361 12.586 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.553 0.108 11.374 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.637 -0.308 12.842 1.00 0.00 H new ATOM 536 N ALA A 38 16.810 -2.945 13.968 1.00 0.00 N ATOM 537 CA ALA A 38 18.137 -3.344 14.405 1.00 0.00 C ATOM 538 C ALA A 38 18.688 -4.402 13.448 1.00 0.00 C ATOM 539 O ALA A 38 19.888 -4.435 13.178 1.00 0.00 O ATOM 540 CB ALA A 38 18.070 -3.843 15.850 1.00 0.00 C ATOM 0 H ALA A 38 16.081 -3.640 14.129 1.00 0.00 H new ATOM 0 HA ALA A 38 18.819 -2.494 14.385 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.065 -4.142 16.178 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.701 -3.045 16.494 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.396 -4.698 15.909 1.00 0.00 H new ATOM 546 N LEU A 39 17.786 -5.241 12.961 1.00 0.00 N ATOM 547 CA LEU A 39 18.167 -6.298 12.039 1.00 0.00 C ATOM 548 C LEU A 39 17.584 -5.998 10.657 1.00 0.00 C ATOM 549 O LEU A 39 18.233 -6.237 9.640 1.00 0.00 O ATOM 550 CB LEU A 39 17.762 -7.665 12.594 1.00 0.00 C ATOM 551 CG LEU A 39 17.988 -7.874 14.092 1.00 0.00 C ATOM 552 CD1 LEU A 39 17.599 -9.293 14.513 1.00 0.00 C ATOM 553 CD2 LEU A 39 19.429 -7.536 14.482 1.00 0.00 C ATOM 0 H LEU A 39 16.792 -5.211 13.187 1.00 0.00 H new ATOM 0 HA LEU A 39 19.251 -6.334 11.927 1.00 0.00 H new ATOM 0 HB2 LEU A 39 16.705 -7.823 12.381 1.00 0.00 H new ATOM 0 HB3 LEU A 39 18.315 -8.433 12.053 1.00 0.00 H new ATOM 0 HG LEU A 39 17.338 -7.187 14.634 1.00 0.00 H new ATOM 0 HD11 LEU A 39 17.770 -9.415 15.583 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.545 -9.462 14.292 1.00 0.00 H new ATOM 0 HD13 LEU A 39 18.205 -10.014 13.965 1.00 0.00 H new ATOM 0 HD21 LEU A 39 19.563 -7.693 15.552 1.00 0.00 H new ATOM 0 HD22 LEU A 39 20.115 -8.180 13.932 1.00 0.00 H new ATOM 0 HD23 LEU A 39 19.637 -6.494 14.240 1.00 0.00 H new ATOM 565 N VAL A 40 16.365 -5.478 10.664 1.00 0.00 N ATOM 566 CA VAL A 40 15.687 -5.143 9.423 1.00 0.00 C ATOM 567 C VAL A 40 16.377 -3.938 8.780 1.00 0.00 C ATOM 568 O VAL A 40 16.723 -2.977 9.465 1.00 0.00 O ATOM 569 CB VAL A 40 14.198 -4.909 9.687 1.00 0.00 C ATOM 570 CG1 VAL A 40 13.380 -5.091 8.407 1.00 0.00 C ATOM 571 CG2 VAL A 40 13.688 -5.827 10.799 1.00 0.00 C ATOM 0 H VAL A 40 15.829 -5.281 11.509 1.00 0.00 H new ATOM 0 HA VAL A 40 15.752 -5.970 8.716 1.00 0.00 H new ATOM 0 HB VAL A 40 14.074 -3.879 10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.325 -4.919 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.718 -4.378 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.513 -6.105 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.627 -5.641 10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.832 -6.867 10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 40 14.241 -5.628 11.717 1.00 0.00 H new ATOM 581 N LYS A 41 16.556 -4.029 7.470 1.00 0.00 N ATOM 582 CA LYS A 41 17.198 -2.958 6.726 1.00 0.00 C ATOM 583 C LYS A 41 16.161 -2.267 5.839 1.00 0.00 C ATOM 584 O LYS A 41 14.984 -2.624 5.859 1.00 0.00 O ATOM 585 CB LYS A 41 18.409 -3.491 5.958 1.00 0.00 C ATOM 586 CG LYS A 41 19.477 -4.022 6.916 1.00 0.00 C ATOM 587 CD LYS A 41 20.395 -2.894 7.392 1.00 0.00 C ATOM 588 CE LYS A 41 21.465 -3.426 8.348 1.00 0.00 C ATOM 589 NZ LYS A 41 21.432 -2.683 9.627 1.00 0.00 N ATOM 0 H LYS A 41 16.268 -4.828 6.905 1.00 0.00 H new ATOM 0 HA LYS A 41 17.590 -2.202 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.094 -4.286 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.831 -2.697 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.999 -4.493 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.068 -4.791 6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.872 -2.421 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.805 -2.126 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.301 -4.488 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.450 -3.331 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.164 -3.056 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.611 -1.674 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.498 -2.795 10.070 1.00 0.00 H new ATOM 603 N LYS A 42 16.636 -1.290 5.080 1.00 0.00 N ATOM 604 CA LYS A 42 15.765 -0.545 4.187 1.00 0.00 C ATOM 605 C LYS A 42 15.542 -1.354 2.907 1.00 0.00 C ATOM 606 O LYS A 42 14.414 -1.735 2.598 1.00 0.00 O ATOM 607 CB LYS A 42 16.325 0.857 3.938 1.00 0.00 C ATOM 608 CG LYS A 42 15.350 1.698 3.112 1.00 0.00 C ATOM 609 CD LYS A 42 15.967 3.048 2.742 1.00 0.00 C ATOM 610 CE LYS A 42 15.501 3.503 1.357 1.00 0.00 C ATOM 611 NZ LYS A 42 16.380 2.946 0.305 1.00 0.00 N ATOM 0 H LYS A 42 17.613 -0.997 5.065 1.00 0.00 H new ATOM 0 HA LYS A 42 14.787 -0.396 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.519 1.350 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.280 0.784 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.077 1.158 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.432 1.857 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.690 3.795 3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.054 2.971 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.473 3.181 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.506 4.592 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.779 3.722 -0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.152 2.408 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.828 2.316 -0.311 1.00 0.00 H new ATOM 625 N SER A 43 16.636 -1.593 2.198 1.00 0.00 N ATOM 626 CA SER A 43 16.574 -2.350 0.959 1.00 0.00 C ATOM 627 C SER A 43 15.827 -3.665 1.187 1.00 0.00 C ATOM 628 O SER A 43 15.170 -4.175 0.280 1.00 0.00 O ATOM 629 CB SER A 43 17.975 -2.623 0.410 1.00 0.00 C ATOM 630 OG SER A 43 17.935 -3.291 -0.848 1.00 0.00 O ATOM 0 H SER A 43 17.570 -1.276 2.458 1.00 0.00 H new ATOM 0 HA SER A 43 16.034 -1.756 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.512 -1.681 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.533 -3.229 1.124 1.00 0.00 H new ATOM 0 HG SER A 43 18.849 -3.446 -1.165 1.00 0.00 H new ATOM 636 N ASP A 44 15.952 -4.177 2.402 1.00 0.00 N ATOM 637 CA ASP A 44 15.296 -5.424 2.760 1.00 0.00 C ATOM 638 C ASP A 44 13.784 -5.200 2.827 1.00 0.00 C ATOM 639 O ASP A 44 13.030 -5.796 2.060 1.00 0.00 O ATOM 640 CB ASP A 44 15.762 -5.917 4.132 1.00 0.00 C ATOM 641 CG ASP A 44 17.082 -6.692 4.126 1.00 0.00 C ATOM 642 OD1 ASP A 44 17.819 -6.550 3.127 1.00 0.00 O ATOM 643 OD2 ASP A 44 17.324 -7.408 5.122 1.00 0.00 O ATOM 0 H ASP A 44 16.498 -3.752 3.151 1.00 0.00 H new ATOM 0 HA ASP A 44 15.549 -6.167 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.865 -5.058 4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.986 -6.554 4.555 1.00 0.00 H new ATOM 648 N VAL A 45 13.387 -4.338 3.752 1.00 0.00 N ATOM 649 CA VAL A 45 11.978 -4.028 3.929 1.00 0.00 C ATOM 650 C VAL A 45 11.398 -3.538 2.601 1.00 0.00 C ATOM 651 O VAL A 45 10.219 -3.747 2.320 1.00 0.00 O ATOM 652 CB VAL A 45 11.804 -3.019 5.066 1.00 0.00 C ATOM 653 CG1 VAL A 45 12.153 -1.604 4.602 1.00 0.00 C ATOM 654 CG2 VAL A 45 10.385 -3.075 5.636 1.00 0.00 C ATOM 0 H VAL A 45 14.016 -3.845 4.386 1.00 0.00 H new ATOM 0 HA VAL A 45 11.423 -4.921 4.217 1.00 0.00 H new ATOM 0 HB VAL A 45 12.496 -3.290 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.021 -0.907 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.190 -1.576 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.498 -1.319 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.288 -2.348 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.667 -2.842 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.187 -4.075 6.023 1.00 0.00 H new ATOM 664 N GLU A 46 12.253 -2.894 1.819 1.00 0.00 N ATOM 665 CA GLU A 46 11.839 -2.373 0.528 1.00 0.00 C ATOM 666 C GLU A 46 11.301 -3.502 -0.353 1.00 0.00 C ATOM 667 O GLU A 46 10.170 -3.434 -0.832 1.00 0.00 O ATOM 668 CB GLU A 46 12.992 -1.641 -0.162 1.00 0.00 C ATOM 669 CG GLU A 46 13.208 -0.256 0.451 1.00 0.00 C ATOM 670 CD GLU A 46 13.228 0.826 -0.631 1.00 0.00 C ATOM 671 OE1 GLU A 46 12.262 0.852 -1.424 1.00 0.00 O ATOM 672 OE2 GLU A 46 14.208 1.601 -0.640 1.00 0.00 O ATOM 0 H GLU A 46 13.230 -2.722 2.055 1.00 0.00 H new ATOM 0 HA GLU A 46 11.038 -1.652 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.906 -2.229 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.779 -1.542 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.415 -0.044 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.148 -0.241 1.003 1.00 0.00 H new ATOM 679 N THR A 47 12.136 -4.514 -0.539 1.00 0.00 N ATOM 680 CA THR A 47 11.758 -5.656 -1.354 1.00 0.00 C ATOM 681 C THR A 47 10.605 -6.419 -0.699 1.00 0.00 C ATOM 682 O THR A 47 9.724 -6.932 -1.389 1.00 0.00 O ATOM 683 CB THR A 47 13.006 -6.513 -1.575 1.00 0.00 C ATOM 684 OG1 THR A 47 13.756 -5.788 -2.546 1.00 0.00 O ATOM 685 CG2 THR A 47 12.689 -7.842 -2.264 1.00 0.00 C ATOM 0 H THR A 47 13.073 -4.567 -0.139 1.00 0.00 H new ATOM 0 HA THR A 47 11.386 -5.341 -2.329 1.00 0.00 H new ATOM 0 HB THR A 47 13.488 -6.707 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.584 -6.272 -2.748 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.609 -8.411 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.994 -8.414 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.238 -7.649 -3.237 1.00 0.00 H new ATOM 693 N ILE A 48 10.647 -6.472 0.624 1.00 0.00 N ATOM 694 CA ILE A 48 9.617 -7.164 1.379 1.00 0.00 C ATOM 695 C ILE A 48 8.260 -6.518 1.094 1.00 0.00 C ATOM 696 O ILE A 48 7.248 -7.209 0.994 1.00 0.00 O ATOM 697 CB ILE A 48 9.979 -7.205 2.865 1.00 0.00 C ATOM 698 CG1 ILE A 48 11.262 -8.005 3.096 1.00 0.00 C ATOM 699 CG2 ILE A 48 8.812 -7.739 3.699 1.00 0.00 C ATOM 700 CD1 ILE A 48 11.943 -7.585 4.400 1.00 0.00 C ATOM 0 H ILE A 48 11.379 -6.047 1.193 1.00 0.00 H new ATOM 0 HA ILE A 48 9.547 -8.205 1.063 1.00 0.00 H new ATOM 0 HB ILE A 48 10.172 -6.185 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.030 -9.069 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.945 -7.854 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.096 -7.758 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.945 -7.091 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.563 -8.749 3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.853 -8.169 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 48 12.196 -6.526 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.267 -7.761 5.237 1.00 0.00 H new ATOM 712 N PHE A 49 8.283 -5.199 0.971 1.00 0.00 N ATOM 713 CA PHE A 49 7.067 -4.451 0.698 1.00 0.00 C ATOM 714 C PHE A 49 6.886 -4.227 -0.804 1.00 0.00 C ATOM 715 O PHE A 49 5.789 -3.907 -1.260 1.00 0.00 O ATOM 716 CB PHE A 49 7.211 -3.095 1.391 1.00 0.00 C ATOM 717 CG PHE A 49 6.991 -3.142 2.904 1.00 0.00 C ATOM 718 CD1 PHE A 49 7.704 -4.012 3.669 1.00 0.00 C ATOM 719 CD2 PHE A 49 6.081 -2.315 3.485 1.00 0.00 C ATOM 720 CE1 PHE A 49 7.499 -4.056 5.073 1.00 0.00 C ATOM 721 CE2 PHE A 49 5.876 -2.359 4.890 1.00 0.00 C ATOM 722 CZ PHE A 49 6.589 -3.229 5.654 1.00 0.00 C ATOM 0 H PHE A 49 9.125 -4.629 1.055 1.00 0.00 H new ATOM 0 HA PHE A 49 6.201 -5.004 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.207 -2.701 1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.498 -2.397 0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.426 -4.669 3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.514 -1.625 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.066 -4.746 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.154 -1.702 5.351 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.433 -3.263 6.722 1.00 0.00 H new ATOM 732 N SER A 50 7.979 -4.403 -1.532 1.00 0.00 N ATOM 733 CA SER A 50 7.955 -4.223 -2.974 1.00 0.00 C ATOM 734 C SER A 50 6.942 -5.181 -3.604 1.00 0.00 C ATOM 735 O SER A 50 6.550 -5.006 -4.756 1.00 0.00 O ATOM 736 CB SER A 50 9.342 -4.444 -3.580 1.00 0.00 C ATOM 737 OG SER A 50 9.406 -4.016 -4.937 1.00 0.00 O ATOM 0 H SER A 50 8.887 -4.668 -1.150 1.00 0.00 H new ATOM 0 HA SER A 50 7.655 -3.197 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.084 -3.902 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.599 -5.502 -3.521 1.00 0.00 H new ATOM 0 HG SER A 50 8.516 -4.082 -5.343 1.00 0.00 H new ATOM 743 N LYS A 51 6.547 -6.174 -2.819 1.00 0.00 N ATOM 744 CA LYS A 51 5.587 -7.160 -3.286 1.00 0.00 C ATOM 745 C LYS A 51 4.224 -6.491 -3.469 1.00 0.00 C ATOM 746 O LYS A 51 3.436 -6.903 -4.319 1.00 0.00 O ATOM 747 CB LYS A 51 5.559 -8.366 -2.345 1.00 0.00 C ATOM 748 CG LYS A 51 4.946 -7.994 -0.994 1.00 0.00 C ATOM 749 CD LYS A 51 4.914 -9.201 -0.054 1.00 0.00 C ATOM 750 CE LYS A 51 6.330 -9.627 0.339 1.00 0.00 C ATOM 751 NZ LYS A 51 6.486 -11.093 0.206 1.00 0.00 N ATOM 0 H LYS A 51 6.874 -6.316 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 51 5.884 -7.551 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.984 -9.173 -2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.572 -8.740 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.523 -7.189 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.934 -7.617 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.343 -8.954 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.402 -10.032 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.058 -9.119 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.535 -9.325 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.453 -11.365 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.804 -11.573 0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.311 -11.373 -0.780 1.00 0.00 H new ATOM 765 N TYR A 52 3.987 -5.470 -2.659 1.00 0.00 N ATOM 766 CA TYR A 52 2.732 -4.740 -2.721 1.00 0.00 C ATOM 767 C TYR A 52 2.777 -3.664 -3.808 1.00 0.00 C ATOM 768 O TYR A 52 1.759 -3.047 -4.118 1.00 0.00 O ATOM 769 CB TYR A 52 2.569 -4.065 -1.358 1.00 0.00 C ATOM 770 CG TYR A 52 2.462 -5.044 -0.187 1.00 0.00 C ATOM 771 CD1 TYR A 52 1.344 -5.842 -0.055 1.00 0.00 C ATOM 772 CD2 TYR A 52 3.484 -5.130 0.736 1.00 0.00 C ATOM 773 CE1 TYR A 52 1.243 -6.764 1.047 1.00 0.00 C ATOM 774 CE2 TYR A 52 3.384 -6.051 1.838 1.00 0.00 C ATOM 775 CZ TYR A 52 2.268 -6.823 1.939 1.00 0.00 C ATOM 776 OH TYR A 52 2.173 -7.693 2.980 1.00 0.00 O ATOM 0 H TYR A 52 4.643 -5.131 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 52 1.907 -5.413 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.418 -3.403 -1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.676 -3.440 -1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.545 -5.775 -0.778 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.359 -4.506 0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.373 -7.394 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.176 -6.127 2.568 1.00 0.00 H new ATOM 0 HH TYR A 52 3.070 -7.991 3.240 1.00 0.00 H new ATOM 786 N GLY A 53 3.968 -3.471 -4.356 1.00 0.00 N ATOM 787 CA GLY A 53 4.159 -2.481 -5.401 1.00 0.00 C ATOM 788 C GLY A 53 5.399 -1.627 -5.128 1.00 0.00 C ATOM 789 O GLY A 53 5.680 -1.283 -3.980 1.00 0.00 O ATOM 0 H GLY A 53 4.810 -3.984 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.262 -2.980 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.279 -1.841 -5.465 1.00 0.00 H new ATOM 793 N ARG A 54 6.109 -1.310 -6.201 1.00 0.00 N ATOM 794 CA ARG A 54 7.312 -0.504 -6.091 1.00 0.00 C ATOM 795 C ARG A 54 7.061 0.704 -5.186 1.00 0.00 C ATOM 796 O ARG A 54 6.128 1.472 -5.414 1.00 0.00 O ATOM 797 CB ARG A 54 7.776 -0.016 -7.465 1.00 0.00 C ATOM 798 CG ARG A 54 9.298 0.127 -7.511 1.00 0.00 C ATOM 799 CD ARG A 54 9.862 -0.433 -8.819 1.00 0.00 C ATOM 800 NE ARG A 54 11.085 0.308 -9.202 1.00 0.00 N ATOM 801 CZ ARG A 54 12.251 0.221 -8.549 1.00 0.00 C ATOM 802 NH1 ARG A 54 12.361 -0.576 -7.477 1.00 0.00 N ATOM 803 NH2 ARG A 54 13.308 0.930 -8.967 1.00 0.00 N ATOM 0 H ARG A 54 5.874 -1.597 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 54 8.092 -1.130 -5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.450 -0.717 -8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.310 0.943 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.571 1.178 -7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.742 -0.398 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.091 -1.492 -8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.116 -0.353 -9.610 1.00 0.00 H new ATOM 0 HE ARG A 54 11.037 0.923 -10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.557 -1.116 -7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.249 -0.642 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.225 1.536 -9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.196 0.863 -8.469 1.00 0.00 H new ATOM 817 N VAL A 55 7.911 0.835 -4.178 1.00 0.00 N ATOM 818 CA VAL A 55 7.793 1.936 -3.237 1.00 0.00 C ATOM 819 C VAL A 55 8.468 3.177 -3.825 1.00 0.00 C ATOM 820 O VAL A 55 9.595 3.103 -4.311 1.00 0.00 O ATOM 821 CB VAL A 55 8.368 1.529 -1.879 1.00 0.00 C ATOM 822 CG1 VAL A 55 8.139 0.040 -1.611 1.00 0.00 C ATOM 823 CG2 VAL A 55 9.854 1.881 -1.785 1.00 0.00 C ATOM 0 H VAL A 55 8.685 0.197 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 55 6.745 2.184 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 55 7.841 2.093 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.557 -0.223 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.069 -0.170 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.627 -0.549 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.238 1.581 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.402 1.357 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.982 2.956 -1.910 1.00 0.00 H new ATOM 833 N ALA A 56 7.750 4.289 -3.760 1.00 0.00 N ATOM 834 CA ALA A 56 8.265 5.544 -4.280 1.00 0.00 C ATOM 835 C ALA A 56 9.454 5.994 -3.428 1.00 0.00 C ATOM 836 O ALA A 56 10.392 6.603 -3.938 1.00 0.00 O ATOM 837 CB ALA A 56 7.143 6.583 -4.310 1.00 0.00 C ATOM 0 H ALA A 56 6.816 4.347 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 56 8.621 5.419 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.529 7.525 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.336 6.229 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.763 6.737 -3.300 1.00 0.00 H new ATOM 843 N GLY A 57 9.374 5.676 -2.144 1.00 0.00 N ATOM 844 CA GLY A 57 10.432 6.040 -1.216 1.00 0.00 C ATOM 845 C GLY A 57 10.224 5.368 0.143 1.00 0.00 C ATOM 846 O GLY A 57 9.180 5.541 0.771 1.00 0.00 O ATOM 0 H GLY A 57 8.594 5.171 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.398 5.746 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.454 7.123 -1.091 1.00 0.00 H new ATOM 850 N CYS A 58 11.233 4.617 0.557 1.00 0.00 N ATOM 851 CA CYS A 58 11.174 3.919 1.830 1.00 0.00 C ATOM 852 C CYS A 58 12.292 4.458 2.725 1.00 0.00 C ATOM 853 O CYS A 58 13.380 4.773 2.245 1.00 0.00 O ATOM 854 CB CYS A 58 11.269 2.403 1.648 1.00 0.00 C ATOM 855 SG CYS A 58 11.385 1.583 3.281 1.00 0.00 S ATOM 0 H CYS A 58 12.097 4.476 0.033 1.00 0.00 H new ATOM 0 HA CYS A 58 10.210 4.102 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.395 2.037 1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 58 12.142 2.155 1.044 1.00 0.00 H new ATOM 0 HG CYS A 58 10.588 2.174 4.121 1.00 0.00 H new ATOM 861 N SER A 59 11.985 4.547 4.011 1.00 0.00 N ATOM 862 CA SER A 59 12.950 5.042 4.978 1.00 0.00 C ATOM 863 C SER A 59 12.858 4.231 6.272 1.00 0.00 C ATOM 864 O SER A 59 11.772 4.056 6.823 1.00 0.00 O ATOM 865 CB SER A 59 12.728 6.528 5.266 1.00 0.00 C ATOM 866 OG SER A 59 12.431 7.263 4.082 1.00 0.00 O ATOM 0 H SER A 59 11.082 4.285 4.406 1.00 0.00 H new ATOM 0 HA SER A 59 13.948 4.927 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.910 6.641 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.619 6.943 5.736 1.00 0.00 H new ATOM 0 HG SER A 59 12.295 8.207 4.308 1.00 0.00 H new ATOM 872 N VAL A 60 14.011 3.756 6.719 1.00 0.00 N ATOM 873 CA VAL A 60 14.074 2.968 7.938 1.00 0.00 C ATOM 874 C VAL A 60 14.767 3.782 9.032 1.00 0.00 C ATOM 875 O VAL A 60 15.936 4.142 8.897 1.00 0.00 O ATOM 876 CB VAL A 60 14.763 1.630 7.661 1.00 0.00 C ATOM 877 CG1 VAL A 60 14.927 0.821 8.949 1.00 0.00 C ATOM 878 CG2 VAL A 60 14.001 0.829 6.603 1.00 0.00 C ATOM 0 H VAL A 60 14.909 3.902 6.259 1.00 0.00 H new ATOM 0 HA VAL A 60 13.070 2.734 8.294 1.00 0.00 H new ATOM 0 HB VAL A 60 15.758 1.840 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 60 15.419 -0.125 8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 60 15.532 1.385 9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.947 0.626 9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.512 -0.117 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.988 0.634 6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 60 13.960 1.399 5.675 1.00 0.00 H new ATOM 888 N HIS A 61 14.018 4.049 10.092 1.00 0.00 N ATOM 889 CA HIS A 61 14.546 4.814 11.208 1.00 0.00 C ATOM 890 C HIS A 61 14.523 3.956 12.475 1.00 0.00 C ATOM 891 O HIS A 61 13.518 3.314 12.776 1.00 0.00 O ATOM 892 CB HIS A 61 13.786 6.132 11.371 1.00 0.00 C ATOM 893 CG HIS A 61 13.471 6.824 10.067 1.00 0.00 C ATOM 894 ND1 HIS A 61 14.348 7.699 9.451 1.00 0.00 N ATOM 895 CD2 HIS A 61 12.366 6.761 9.269 1.00 0.00 C ATOM 896 CE1 HIS A 61 13.787 8.137 8.333 1.00 0.00 C ATOM 897 NE2 HIS A 61 12.559 7.555 8.223 1.00 0.00 N ATOM 0 H HIS A 61 13.049 3.749 10.201 1.00 0.00 H new ATOM 0 HA HIS A 61 15.584 5.082 11.011 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.854 5.939 11.902 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.375 6.805 11.994 1.00 0.00 H new ATOM 0 HD1 HIS A 61 15.270 7.962 9.798 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.484 6.166 9.457 1.00 0.00 H new ATOM 0 HE1 HIS A 61 14.225 8.832 7.633 1.00 0.00 H new ATOM 905 N LYS A 62 15.643 3.973 13.183 1.00 0.00 N ATOM 906 CA LYS A 62 15.764 3.204 14.410 1.00 0.00 C ATOM 907 C LYS A 62 14.526 3.439 15.278 1.00 0.00 C ATOM 908 O LYS A 62 14.460 4.420 16.017 1.00 0.00 O ATOM 909 CB LYS A 62 17.082 3.528 15.117 1.00 0.00 C ATOM 910 CG LYS A 62 17.592 2.320 15.905 1.00 0.00 C ATOM 911 CD LYS A 62 19.023 2.550 16.396 1.00 0.00 C ATOM 912 CE LYS A 62 19.944 1.413 15.952 1.00 0.00 C ATOM 913 NZ LYS A 62 20.230 1.512 14.504 1.00 0.00 N ATOM 0 H LYS A 62 16.475 4.507 12.930 1.00 0.00 H new ATOM 0 HA LYS A 62 15.801 2.137 14.190 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.829 3.829 14.382 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.939 4.373 15.791 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.937 2.134 16.756 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.558 1.430 15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.396 3.498 16.008 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.031 2.625 17.483 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.876 1.451 16.516 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.477 0.453 16.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.857 0.732 14.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.340 1.453 13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.695 2.420 14.303 1.00 0.00 H new ATOM 927 N GLY A 63 13.577 2.523 15.160 1.00 0.00 N ATOM 928 CA GLY A 63 12.345 2.618 15.925 1.00 0.00 C ATOM 929 C GLY A 63 11.126 2.380 15.032 1.00 0.00 C ATOM 930 O GLY A 63 10.085 1.926 15.505 1.00 0.00 O ATOM 0 H GLY A 63 13.636 1.711 14.546 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.357 1.886 16.733 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.275 3.602 16.388 1.00 0.00 H new ATOM 934 N TYR A 64 11.294 2.698 13.757 1.00 0.00 N ATOM 935 CA TYR A 64 10.220 2.525 12.794 1.00 0.00 C ATOM 936 C TYR A 64 10.763 2.518 11.363 1.00 0.00 C ATOM 937 O TYR A 64 11.974 2.478 11.155 1.00 0.00 O ATOM 938 CB TYR A 64 9.297 3.732 12.970 1.00 0.00 C ATOM 939 CG TYR A 64 10.018 5.080 12.920 1.00 0.00 C ATOM 940 CD1 TYR A 64 10.880 5.440 13.936 1.00 0.00 C ATOM 941 CD2 TYR A 64 9.806 5.937 11.859 1.00 0.00 C ATOM 942 CE1 TYR A 64 11.559 6.709 13.889 1.00 0.00 C ATOM 943 CE2 TYR A 64 10.485 7.206 11.812 1.00 0.00 C ATOM 944 CZ TYR A 64 11.328 7.529 12.829 1.00 0.00 C ATOM 945 OH TYR A 64 11.969 8.728 12.784 1.00 0.00 O ATOM 0 H TYR A 64 12.158 3.075 13.368 1.00 0.00 H new ATOM 0 HA TYR A 64 9.706 1.578 12.959 1.00 0.00 H new ATOM 0 HB2 TYR A 64 8.535 3.710 12.191 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.779 3.644 13.925 1.00 0.00 H new ATOM 0 HD1 TYR A 64 11.045 4.770 14.767 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.131 5.656 11.064 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.236 7.003 14.677 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.328 7.886 10.988 1.00 0.00 H new ATOM 0 HH TYR A 64 11.709 9.208 11.970 1.00 0.00 H new ATOM 955 N ALA A 65 9.839 2.557 10.414 1.00 0.00 N ATOM 956 CA ALA A 65 10.209 2.556 9.009 1.00 0.00 C ATOM 957 C ALA A 65 9.017 3.023 8.172 1.00 0.00 C ATOM 958 O ALA A 65 7.871 2.699 8.481 1.00 0.00 O ATOM 959 CB ALA A 65 10.691 1.160 8.609 1.00 0.00 C ATOM 0 H ALA A 65 8.835 2.589 10.591 1.00 0.00 H new ATOM 0 HA ALA A 65 11.031 3.249 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.969 1.159 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.557 0.887 9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.891 0.438 8.774 1.00 0.00 H new ATOM 965 N PHE A 66 9.327 3.776 7.127 1.00 0.00 N ATOM 966 CA PHE A 66 8.296 4.291 6.242 1.00 0.00 C ATOM 967 C PHE A 66 8.414 3.676 4.846 1.00 0.00 C ATOM 968 O PHE A 66 9.508 3.322 4.410 1.00 0.00 O ATOM 969 CB PHE A 66 8.508 5.803 6.140 1.00 0.00 C ATOM 970 CG PHE A 66 7.877 6.598 7.285 1.00 0.00 C ATOM 971 CD1 PHE A 66 8.506 6.672 8.489 1.00 0.00 C ATOM 972 CD2 PHE A 66 6.688 7.231 7.100 1.00 0.00 C ATOM 973 CE1 PHE A 66 7.921 7.410 9.552 1.00 0.00 C ATOM 974 CE2 PHE A 66 6.103 7.969 8.162 1.00 0.00 C ATOM 975 CZ PHE A 66 6.731 8.043 9.366 1.00 0.00 C ATOM 0 H PHE A 66 10.278 4.042 6.873 1.00 0.00 H new ATOM 0 HA PHE A 66 7.310 4.044 6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 66 9.578 6.009 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 66 8.094 6.155 5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.450 6.169 8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.188 7.172 6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.421 7.469 10.508 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.159 8.472 8.014 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.285 8.604 10.174 1.00 0.00 H new ATOM 985 N VAL A 67 7.271 3.567 4.184 1.00 0.00 N ATOM 986 CA VAL A 67 7.232 3.001 2.846 1.00 0.00 C ATOM 987 C VAL A 67 6.242 3.794 1.991 1.00 0.00 C ATOM 988 O VAL A 67 5.036 3.751 2.230 1.00 0.00 O ATOM 989 CB VAL A 67 6.900 1.510 2.919 1.00 0.00 C ATOM 990 CG1 VAL A 67 6.890 0.882 1.524 1.00 0.00 C ATOM 991 CG2 VAL A 67 7.873 0.775 3.844 1.00 0.00 C ATOM 0 H VAL A 67 6.365 3.861 4.549 1.00 0.00 H new ATOM 0 HA VAL A 67 8.209 3.079 2.368 1.00 0.00 H new ATOM 0 HB VAL A 67 5.899 1.410 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.651 -0.179 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.140 1.377 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.872 0.999 1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.614 -0.283 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.889 0.888 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.810 1.196 4.847 1.00 0.00 H new ATOM 1001 N GLN A 68 6.788 4.499 1.010 1.00 0.00 N ATOM 1002 CA GLN A 68 5.968 5.299 0.118 1.00 0.00 C ATOM 1003 C GLN A 68 5.655 4.518 -1.160 1.00 0.00 C ATOM 1004 O GLN A 68 6.494 3.764 -1.652 1.00 0.00 O ATOM 1005 CB GLN A 68 6.649 6.630 -0.207 1.00 0.00 C ATOM 1006 CG GLN A 68 5.842 7.423 -1.237 1.00 0.00 C ATOM 1007 CD GLN A 68 4.660 8.137 -0.576 1.00 0.00 C ATOM 1008 OE1 GLN A 68 4.634 8.372 0.621 1.00 0.00 O ATOM 1009 NE2 GLN A 68 3.687 8.467 -1.420 1.00 0.00 N ATOM 0 H GLN A 68 7.788 4.532 0.814 1.00 0.00 H new ATOM 0 HA GLN A 68 5.028 5.522 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.759 7.218 0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.652 6.445 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.487 8.154 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.477 6.751 -2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.773 8.240 -2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.855 8.947 -1.077 1.00 0.00 H new ATOM 1018 N TYR A 69 4.446 4.724 -1.661 1.00 0.00 N ATOM 1019 CA TYR A 69 4.012 4.049 -2.872 1.00 0.00 C ATOM 1020 C TYR A 69 3.472 5.050 -3.895 1.00 0.00 C ATOM 1021 O TYR A 69 3.340 6.236 -3.598 1.00 0.00 O ATOM 1022 CB TYR A 69 2.880 3.110 -2.448 1.00 0.00 C ATOM 1023 CG TYR A 69 3.345 1.907 -1.625 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.937 0.829 -2.252 1.00 0.00 C ATOM 1025 CD2 TYR A 69 3.172 1.899 -0.256 1.00 0.00 C ATOM 1026 CE1 TYR A 69 4.374 -0.303 -1.477 1.00 0.00 C ATOM 1027 CE2 TYR A 69 3.609 0.767 0.518 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.188 -0.279 -0.130 1.00 0.00 C ATOM 1029 OH TYR A 69 4.601 -1.348 0.601 1.00 0.00 O ATOM 0 H TYR A 69 3.753 5.349 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 69 4.844 3.519 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.151 3.675 -1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.367 2.751 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.072 0.835 -3.323 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.709 2.742 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.839 -1.152 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.480 0.749 1.590 1.00 0.00 H new ATOM 0 HH TYR A 69 4.633 -2.143 0.029 1.00 0.00 H new ATOM 1039 N SER A 70 3.175 4.535 -5.079 1.00 0.00 N ATOM 1040 CA SER A 70 2.653 5.369 -6.148 1.00 0.00 C ATOM 1041 C SER A 70 1.132 5.226 -6.228 1.00 0.00 C ATOM 1042 O SER A 70 0.435 6.170 -6.595 1.00 0.00 O ATOM 1043 CB SER A 70 3.291 5.007 -7.491 1.00 0.00 C ATOM 1044 OG SER A 70 2.525 4.039 -8.203 1.00 0.00 O ATOM 0 H SER A 70 3.286 3.550 -5.322 1.00 0.00 H new ATOM 0 HA SER A 70 2.903 6.406 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.393 5.907 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.296 4.621 -7.322 1.00 0.00 H new ATOM 0 HG SER A 70 2.965 3.836 -9.055 1.00 0.00 H new ATOM 1050 N ASN A 71 0.662 4.038 -5.877 1.00 0.00 N ATOM 1051 CA ASN A 71 -0.764 3.759 -5.904 1.00 0.00 C ATOM 1052 C ASN A 71 -1.293 3.691 -4.470 1.00 0.00 C ATOM 1053 O ASN A 71 -0.662 3.094 -3.600 1.00 0.00 O ATOM 1054 CB ASN A 71 -1.050 2.416 -6.578 1.00 0.00 C ATOM 1055 CG ASN A 71 -1.967 2.595 -7.790 1.00 0.00 C ATOM 1056 OD1 ASN A 71 -3.150 2.870 -7.670 1.00 0.00 O ATOM 1057 ND2 ASN A 71 -1.358 2.423 -8.959 1.00 0.00 N ATOM 0 H ASN A 71 1.244 3.257 -5.572 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.253 4.555 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.113 1.955 -6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.515 1.738 -5.863 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.884 2.520 -9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.364 2.194 -8.988 1.00 0.00 H new ATOM 1064 N GLU A 72 -2.447 4.311 -4.269 1.00 0.00 N ATOM 1065 CA GLU A 72 -3.068 4.328 -2.956 1.00 0.00 C ATOM 1066 C GLU A 72 -3.382 2.902 -2.499 1.00 0.00 C ATOM 1067 O GLU A 72 -3.434 2.628 -1.301 1.00 0.00 O ATOM 1068 CB GLU A 72 -4.329 5.194 -2.957 1.00 0.00 C ATOM 1069 CG GLU A 72 -4.063 6.549 -3.616 1.00 0.00 C ATOM 1070 CD GLU A 72 -4.881 7.655 -2.945 1.00 0.00 C ATOM 1071 OE1 GLU A 72 -6.114 7.470 -2.849 1.00 0.00 O ATOM 1072 OE2 GLU A 72 -4.255 8.660 -2.543 1.00 0.00 O ATOM 0 H GLU A 72 -2.968 4.805 -4.994 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.365 4.769 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.129 4.678 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.672 5.344 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.001 6.787 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.314 6.498 -4.675 1.00 0.00 H new ATOM 1079 N ARG A 73 -3.585 2.032 -3.477 1.00 0.00 N ATOM 1080 CA ARG A 73 -3.893 0.642 -3.191 1.00 0.00 C ATOM 1081 C ARG A 73 -2.635 -0.096 -2.726 1.00 0.00 C ATOM 1082 O ARG A 73 -2.700 -0.936 -1.829 1.00 0.00 O ATOM 1083 CB ARG A 73 -4.461 -0.062 -4.425 1.00 0.00 C ATOM 1084 CG ARG A 73 -5.927 0.317 -4.646 1.00 0.00 C ATOM 1085 CD ARG A 73 -6.786 -0.927 -4.878 1.00 0.00 C ATOM 1086 NE ARG A 73 -7.838 -0.636 -5.877 1.00 0.00 N ATOM 1087 CZ ARG A 73 -8.910 -1.413 -6.087 1.00 0.00 C ATOM 1088 NH1 ARG A 73 -9.078 -2.532 -5.370 1.00 0.00 N ATOM 1089 NH2 ARG A 73 -9.814 -1.070 -7.015 1.00 0.00 N ATOM 0 H ARG A 73 -3.542 2.263 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.642 0.625 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.875 0.208 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.375 -1.142 -4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.299 0.864 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.008 0.985 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.162 -1.751 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.241 -1.245 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.742 0.208 -6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.390 -2.793 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.894 -3.123 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.686 -0.218 -7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.630 -1.661 -7.175 1.00 0.00 H new ATOM 1103 N HIS A 74 -1.521 0.246 -3.356 1.00 0.00 N ATOM 1104 CA HIS A 74 -0.250 -0.373 -3.017 1.00 0.00 C ATOM 1105 C HIS A 74 0.023 -0.199 -1.522 1.00 0.00 C ATOM 1106 O HIS A 74 0.838 -0.920 -0.949 1.00 0.00 O ATOM 1107 CB HIS A 74 0.874 0.180 -3.895 1.00 0.00 C ATOM 1108 CG HIS A 74 0.666 -0.042 -5.374 1.00 0.00 C ATOM 1109 ND1 HIS A 74 1.676 0.118 -6.306 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -0.446 -0.415 -6.071 1.00 0.00 C ATOM 1111 CE1 HIS A 74 1.184 -0.148 -7.506 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -0.132 -0.478 -7.359 1.00 0.00 N ATOM 0 H HIS A 74 -1.472 0.943 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.296 -1.443 -3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.973 1.249 -3.709 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.815 -0.284 -3.598 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.417 -0.624 -5.647 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.729 -0.110 -8.438 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.769 -0.731 -8.114 1.00 0.00 H new ATOM 1120 N ALA A 75 -0.673 0.762 -0.934 1.00 0.00 N ATOM 1121 CA ALA A 75 -0.515 1.041 0.483 1.00 0.00 C ATOM 1122 C ALA A 75 -1.303 0.008 1.292 1.00 0.00 C ATOM 1123 O ALA A 75 -0.718 -0.890 1.897 1.00 0.00 O ATOM 1124 CB ALA A 75 -0.963 2.474 0.776 1.00 0.00 C ATOM 0 H ALA A 75 -1.348 1.358 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 75 0.532 0.961 0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.844 2.682 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.354 3.171 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.010 2.592 0.498 1.00 0.00 H new ATOM 1130 N ARG A 76 -2.618 0.169 1.278 1.00 0.00 N ATOM 1131 CA ARG A 76 -3.491 -0.738 2.002 1.00 0.00 C ATOM 1132 C ARG A 76 -2.941 -2.165 1.943 1.00 0.00 C ATOM 1133 O ARG A 76 -2.750 -2.803 2.977 1.00 0.00 O ATOM 1134 CB ARG A 76 -4.907 -0.720 1.423 1.00 0.00 C ATOM 1135 CG ARG A 76 -5.728 0.426 2.018 1.00 0.00 C ATOM 1136 CD ARG A 76 -6.997 -0.102 2.691 1.00 0.00 C ATOM 1137 NE ARG A 76 -8.082 0.898 2.580 1.00 0.00 N ATOM 1138 CZ ARG A 76 -9.228 0.844 3.273 1.00 0.00 C ATOM 1139 NH1 ARG A 76 -9.445 -0.161 4.131 1.00 0.00 N ATOM 1140 NH2 ARG A 76 -10.157 1.796 3.107 1.00 0.00 N ATOM 0 H ARG A 76 -3.100 0.915 0.776 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.531 -0.403 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.859 -0.613 0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.400 -1.670 1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.126 0.971 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.995 1.133 1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.304 -1.037 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.798 -0.320 3.740 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.949 1.677 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.738 -0.885 4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.317 -0.202 4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.992 2.561 2.453 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.029 1.755 3.634 1.00 0.00 H new ATOM 1154 N ALA A 77 -2.703 -2.623 0.723 1.00 0.00 N ATOM 1155 CA ALA A 77 -2.179 -3.962 0.516 1.00 0.00 C ATOM 1156 C ALA A 77 -1.013 -4.203 1.477 1.00 0.00 C ATOM 1157 O ALA A 77 -1.012 -5.180 2.225 1.00 0.00 O ATOM 1158 CB ALA A 77 -1.771 -4.130 -0.949 1.00 0.00 C ATOM 0 H ALA A 77 -2.863 -2.091 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.943 -4.710 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.378 -5.135 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.640 -3.978 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.004 -3.397 -1.199 1.00 0.00 H new ATOM 1164 N ALA A 78 -0.048 -3.297 1.426 1.00 0.00 N ATOM 1165 CA ALA A 78 1.121 -3.399 2.282 1.00 0.00 C ATOM 1166 C ALA A 78 0.704 -3.171 3.737 1.00 0.00 C ATOM 1167 O ALA A 78 1.208 -3.834 4.642 1.00 0.00 O ATOM 1168 CB ALA A 78 2.183 -2.400 1.818 1.00 0.00 C ATOM 0 H ALA A 78 -0.052 -2.488 0.805 1.00 0.00 H new ATOM 0 HA ALA A 78 1.559 -4.395 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.060 -2.477 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.466 -2.622 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.780 -1.389 1.873 1.00 0.00 H new ATOM 1174 N VAL A 79 -0.214 -2.232 3.916 1.00 0.00 N ATOM 1175 CA VAL A 79 -0.704 -1.909 5.245 1.00 0.00 C ATOM 1176 C VAL A 79 -1.154 -3.194 5.944 1.00 0.00 C ATOM 1177 O VAL A 79 -0.532 -3.628 6.913 1.00 0.00 O ATOM 1178 CB VAL A 79 -1.814 -0.860 5.152 1.00 0.00 C ATOM 1179 CG1 VAL A 79 -2.375 -0.532 6.537 1.00 0.00 C ATOM 1180 CG2 VAL A 79 -1.315 0.404 4.449 1.00 0.00 C ATOM 0 H VAL A 79 -0.631 -1.685 3.163 1.00 0.00 H new ATOM 0 HA VAL A 79 0.090 -1.471 5.849 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.623 -1.279 4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.162 0.216 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.785 -1.436 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.578 -0.142 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.123 1.134 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.481 0.826 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.985 0.153 3.441 1.00 0.00 H new ATOM 1190 N LEU A 80 -2.230 -3.767 5.425 1.00 0.00 N ATOM 1191 CA LEU A 80 -2.770 -4.993 5.987 1.00 0.00 C ATOM 1192 C LEU A 80 -1.804 -6.146 5.705 1.00 0.00 C ATOM 1193 O LEU A 80 -1.518 -6.951 6.590 1.00 0.00 O ATOM 1194 CB LEU A 80 -4.189 -5.239 5.473 1.00 0.00 C ATOM 1195 CG LEU A 80 -5.242 -4.211 5.891 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -4.850 -2.806 5.431 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -6.630 -4.612 5.388 1.00 0.00 C ATOM 0 H LEU A 80 -2.742 -3.405 4.621 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.859 -4.909 7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.158 -5.276 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.513 -6.222 5.816 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.287 -4.192 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.616 -2.095 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.895 -2.530 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.759 -2.791 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.360 -3.864 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.618 -4.677 4.300 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.903 -5.581 5.806 1.00 0.00 H new ATOM 1209 N GLY A 81 -1.330 -6.189 4.469 1.00 0.00 N ATOM 1210 CA GLY A 81 -0.403 -7.231 4.060 1.00 0.00 C ATOM 1211 C GLY A 81 0.704 -7.420 5.099 1.00 0.00 C ATOM 1212 O GLY A 81 1.083 -8.548 5.409 1.00 0.00 O ATOM 0 H GLY A 81 -1.570 -5.520 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.942 -8.169 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.038 -6.973 3.097 1.00 0.00 H new ATOM 1216 N GLU A 82 1.190 -6.298 5.610 1.00 0.00 N ATOM 1217 CA GLU A 82 2.245 -6.327 6.609 1.00 0.00 C ATOM 1218 C GLU A 82 1.648 -6.244 8.015 1.00 0.00 C ATOM 1219 O GLU A 82 1.884 -7.119 8.846 1.00 0.00 O ATOM 1220 CB GLU A 82 3.253 -5.199 6.374 1.00 0.00 C ATOM 1221 CG GLU A 82 3.849 -5.282 4.967 1.00 0.00 C ATOM 1222 CD GLU A 82 3.759 -3.931 4.253 1.00 0.00 C ATOM 1223 OE1 GLU A 82 3.404 -2.949 4.941 1.00 0.00 O ATOM 1224 OE2 GLU A 82 4.047 -3.911 3.037 1.00 0.00 O ATOM 0 H GLU A 82 0.873 -5.364 5.351 1.00 0.00 H new ATOM 0 HA GLU A 82 2.779 -7.273 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.763 -4.235 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.050 -5.258 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.891 -5.597 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.320 -6.039 4.388 1.00 0.00 H new ATOM 1231 N ASN A 83 0.885 -5.183 8.237 1.00 0.00 N ATOM 1232 CA ASN A 83 0.252 -4.974 9.529 1.00 0.00 C ATOM 1233 C ASN A 83 -0.222 -6.319 10.082 1.00 0.00 C ATOM 1234 O ASN A 83 -1.036 -6.999 9.458 1.00 0.00 O ATOM 1235 CB ASN A 83 -0.966 -4.058 9.403 1.00 0.00 C ATOM 1236 CG ASN A 83 -1.699 -3.933 10.740 1.00 0.00 C ATOM 1237 OD1 ASN A 83 -1.139 -4.132 11.805 1.00 0.00 O ATOM 1238 ND2 ASN A 83 -2.980 -3.594 10.626 1.00 0.00 N ATOM 0 H ASN A 83 0.691 -4.460 7.545 1.00 0.00 H new ATOM 0 HA ASN A 83 0.983 -4.512 10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.650 -3.071 9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.645 -4.452 8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.555 -3.486 11.461 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.387 -3.442 9.703 1.00 0.00 H new ATOM 1245 N GLY A 84 0.305 -6.663 11.248 1.00 0.00 N ATOM 1246 CA GLY A 84 -0.054 -7.914 11.893 1.00 0.00 C ATOM 1247 C GLY A 84 1.141 -8.868 11.945 1.00 0.00 C ATOM 1248 O GLY A 84 1.189 -9.763 12.787 1.00 0.00 O ATOM 0 H GLY A 84 0.979 -6.096 11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.410 -7.717 12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.875 -8.384 11.352 1.00 0.00 H new ATOM 1252 N ARG A 85 2.077 -8.643 11.034 1.00 0.00 N ATOM 1253 CA ARG A 85 3.269 -9.471 10.966 1.00 0.00 C ATOM 1254 C ARG A 85 4.143 -9.245 12.201 1.00 0.00 C ATOM 1255 O ARG A 85 4.052 -8.203 12.848 1.00 0.00 O ATOM 1256 CB ARG A 85 4.084 -9.160 9.709 1.00 0.00 C ATOM 1257 CG ARG A 85 4.629 -10.443 9.078 1.00 0.00 C ATOM 1258 CD ARG A 85 5.981 -10.193 8.408 1.00 0.00 C ATOM 1259 NE ARG A 85 6.080 -10.978 7.157 1.00 0.00 N ATOM 1260 CZ ARG A 85 7.222 -11.184 6.487 1.00 0.00 C ATOM 1261 NH1 ARG A 85 8.369 -10.663 6.943 1.00 0.00 N ATOM 1262 NH2 ARG A 85 7.216 -11.910 5.361 1.00 0.00 N ATOM 0 H ARG A 85 2.034 -7.899 10.337 1.00 0.00 H new ATOM 0 HA ARG A 85 2.948 -10.512 10.929 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.460 -8.632 8.988 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.910 -8.495 9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.735 -11.212 9.843 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.919 -10.821 8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.097 -9.131 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.789 -10.470 9.086 1.00 0.00 H new ATOM 0 HE ARG A 85 5.225 -11.388 6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.373 -10.110 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.239 -10.820 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.342 -12.306 5.014 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.085 -12.067 4.851 1.00 0.00 H new ATOM 1276 N VAL A 86 4.971 -10.238 12.490 1.00 0.00 N ATOM 1277 CA VAL A 86 5.861 -10.161 13.636 1.00 0.00 C ATOM 1278 C VAL A 86 7.310 -10.285 13.161 1.00 0.00 C ATOM 1279 O VAL A 86 7.597 -11.021 12.218 1.00 0.00 O ATOM 1280 CB VAL A 86 5.478 -11.224 14.669 1.00 0.00 C ATOM 1281 CG1 VAL A 86 5.086 -12.536 13.986 1.00 0.00 C ATOM 1282 CG2 VAL A 86 6.611 -11.445 15.673 1.00 0.00 C ATOM 0 H VAL A 86 5.044 -11.100 11.950 1.00 0.00 H new ATOM 0 HA VAL A 86 5.763 -9.195 14.131 1.00 0.00 H new ATOM 0 HB VAL A 86 4.610 -10.860 15.218 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.818 -13.274 14.742 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.233 -12.364 13.329 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.927 -12.906 13.399 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.314 -12.205 16.396 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.505 -11.777 15.145 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.823 -10.511 16.194 1.00 0.00 H new ATOM 1292 N LEU A 87 8.185 -9.552 13.834 1.00 0.00 N ATOM 1293 CA LEU A 87 9.597 -9.570 13.492 1.00 0.00 C ATOM 1294 C LEU A 87 10.426 -9.325 14.754 1.00 0.00 C ATOM 1295 O LEU A 87 10.346 -8.255 15.355 1.00 0.00 O ATOM 1296 CB LEU A 87 9.887 -8.580 12.363 1.00 0.00 C ATOM 1297 CG LEU A 87 11.097 -8.901 11.483 1.00 0.00 C ATOM 1298 CD1 LEU A 87 11.032 -8.136 10.160 1.00 0.00 C ATOM 1299 CD2 LEU A 87 12.405 -8.639 12.233 1.00 0.00 C ATOM 0 H LEU A 87 7.943 -8.942 14.615 1.00 0.00 H new ATOM 0 HA LEU A 87 9.884 -10.549 13.107 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.005 -8.518 11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.033 -7.593 12.801 1.00 0.00 H new ATOM 0 HG LEU A 87 11.071 -9.964 11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.904 -8.383 9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.126 -8.415 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.020 -7.064 10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.249 -8.875 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.453 -7.590 12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.445 -9.265 13.124 1.00 0.00 H new ATOM 1311 N ALA A 88 11.203 -10.334 15.119 1.00 0.00 N ATOM 1312 CA ALA A 88 12.046 -10.241 16.298 1.00 0.00 C ATOM 1313 C ALA A 88 11.241 -10.661 17.530 1.00 0.00 C ATOM 1314 O ALA A 88 11.803 -10.853 18.607 1.00 0.00 O ATOM 1315 CB ALA A 88 12.599 -8.820 16.420 1.00 0.00 C ATOM 0 H ALA A 88 11.266 -11.220 14.618 1.00 0.00 H new ATOM 0 HA ALA A 88 12.898 -10.916 16.215 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.232 -8.750 17.305 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.187 -8.581 15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.773 -8.114 16.508 1.00 0.00 H new ATOM 1321 N GLY A 89 9.938 -10.792 17.329 1.00 0.00 N ATOM 1322 CA GLY A 89 9.050 -11.185 18.410 1.00 0.00 C ATOM 1323 C GLY A 89 7.922 -10.168 18.591 1.00 0.00 C ATOM 1324 O GLY A 89 6.919 -10.456 19.241 1.00 0.00 O ATOM 0 H GLY A 89 9.476 -10.633 16.434 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.628 -12.168 18.199 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.617 -11.273 19.337 1.00 0.00 H new ATOM 1328 N GLN A 90 8.125 -8.997 18.004 1.00 0.00 N ATOM 1329 CA GLN A 90 7.137 -7.935 18.092 1.00 0.00 C ATOM 1330 C GLN A 90 6.278 -7.902 16.827 1.00 0.00 C ATOM 1331 O GLN A 90 6.772 -8.157 15.730 1.00 0.00 O ATOM 1332 CB GLN A 90 7.809 -6.581 18.334 1.00 0.00 C ATOM 1333 CG GLN A 90 8.379 -6.497 19.751 1.00 0.00 C ATOM 1334 CD GLN A 90 9.344 -5.317 19.884 1.00 0.00 C ATOM 1335 OE1 GLN A 90 10.410 -5.416 20.469 1.00 0.00 O ATOM 1336 NE2 GLN A 90 8.912 -4.197 19.311 1.00 0.00 N ATOM 0 H GLN A 90 8.959 -8.761 17.466 1.00 0.00 H new ATOM 0 HA GLN A 90 6.487 -8.139 18.943 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.608 -6.433 17.608 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.086 -5.780 18.181 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.565 -6.389 20.468 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.897 -7.425 19.994 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.009 -4.182 18.837 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.484 -3.353 19.346 1.00 0.00 H new ATOM 1345 N THR A 91 5.006 -7.587 17.023 1.00 0.00 N ATOM 1346 CA THR A 91 4.072 -7.519 15.911 1.00 0.00 C ATOM 1347 C THR A 91 4.187 -6.169 15.201 1.00 0.00 C ATOM 1348 O THR A 91 3.707 -5.155 15.705 1.00 0.00 O ATOM 1349 CB THR A 91 2.670 -7.803 16.453 1.00 0.00 C ATOM 1350 OG1 THR A 91 2.785 -9.088 17.058 1.00 0.00 O ATOM 1351 CG2 THR A 91 1.642 -8.006 15.338 1.00 0.00 C ATOM 0 H THR A 91 4.600 -7.376 17.935 1.00 0.00 H new ATOM 0 HA THR A 91 4.302 -8.270 15.155 1.00 0.00 H new ATOM 0 HB THR A 91 2.354 -6.979 17.092 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.920 -9.350 17.437 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.664 -8.204 15.776 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.589 -7.107 14.724 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.940 -8.852 14.718 1.00 0.00 H new ATOM 1359 N LEU A 92 4.828 -6.199 14.041 1.00 0.00 N ATOM 1360 CA LEU A 92 5.012 -4.990 13.256 1.00 0.00 C ATOM 1361 C LEU A 92 3.690 -4.224 13.189 1.00 0.00 C ATOM 1362 O LEU A 92 2.747 -4.663 12.532 1.00 0.00 O ATOM 1363 CB LEU A 92 5.599 -5.327 11.884 1.00 0.00 C ATOM 1364 CG LEU A 92 6.935 -6.071 11.890 1.00 0.00 C ATOM 1365 CD1 LEU A 92 7.440 -6.303 10.464 1.00 0.00 C ATOM 1366 CD2 LEU A 92 7.967 -5.339 12.751 1.00 0.00 C ATOM 0 H LEU A 92 5.226 -7.042 13.626 1.00 0.00 H new ATOM 0 HA LEU A 92 5.737 -4.332 13.734 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.873 -5.930 11.338 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.725 -4.399 11.327 1.00 0.00 H new ATOM 0 HG LEU A 92 6.778 -7.051 12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.391 -6.834 10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.712 -6.897 9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.577 -5.343 9.966 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.908 -5.889 12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.127 -4.337 12.354 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.602 -5.269 13.776 1.00 0.00 H new ATOM 1378 N ASP A 93 3.662 -3.093 13.878 1.00 0.00 N ATOM 1379 CA ASP A 93 2.471 -2.262 13.905 1.00 0.00 C ATOM 1380 C ASP A 93 2.537 -1.246 12.762 1.00 0.00 C ATOM 1381 O ASP A 93 3.218 -0.227 12.871 1.00 0.00 O ATOM 1382 CB ASP A 93 2.368 -1.487 15.220 1.00 0.00 C ATOM 1383 CG ASP A 93 1.437 -2.107 16.265 1.00 0.00 C ATOM 1384 OD1 ASP A 93 0.586 -2.925 15.852 1.00 0.00 O ATOM 1385 OD2 ASP A 93 1.597 -1.749 17.451 1.00 0.00 O ATOM 0 H ASP A 93 4.446 -2.732 14.422 1.00 0.00 H new ATOM 0 HA ASP A 93 1.604 -2.914 13.802 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.365 -1.398 15.651 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.023 -0.476 15.002 1.00 0.00 H new ATOM 1390 N ILE A 94 1.820 -1.559 11.693 1.00 0.00 N ATOM 1391 CA ILE A 94 1.789 -0.686 10.532 1.00 0.00 C ATOM 1392 C ILE A 94 0.388 -0.090 10.385 1.00 0.00 C ATOM 1393 O ILE A 94 -0.594 -0.684 10.828 1.00 0.00 O ATOM 1394 CB ILE A 94 2.273 -1.433 9.287 1.00 0.00 C ATOM 1395 CG1 ILE A 94 3.489 -2.304 9.608 1.00 0.00 C ATOM 1396 CG2 ILE A 94 2.551 -0.462 8.138 1.00 0.00 C ATOM 1397 CD1 ILE A 94 3.745 -3.321 8.494 1.00 0.00 C ATOM 0 H ILE A 94 1.256 -2.405 11.606 1.00 0.00 H new ATOM 0 HA ILE A 94 2.479 0.148 10.664 1.00 0.00 H new ATOM 0 HB ILE A 94 1.476 -2.101 8.959 1.00 0.00 H new ATOM 0 HG12 ILE A 94 4.368 -1.673 9.738 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.328 -2.826 10.551 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.894 -1.019 7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.637 0.077 7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.321 0.248 8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.615 -3.927 8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.873 -3.966 8.383 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.930 -2.796 7.557 1.00 0.00 H new ATOM 1409 N ASN A 95 0.339 1.078 9.761 1.00 0.00 N ATOM 1410 CA ASN A 95 -0.926 1.762 9.550 1.00 0.00 C ATOM 1411 C ASN A 95 -0.759 2.805 8.443 1.00 0.00 C ATOM 1412 O ASN A 95 0.360 3.099 8.026 1.00 0.00 O ATOM 1413 CB ASN A 95 -1.378 2.487 10.819 1.00 0.00 C ATOM 1414 CG ASN A 95 -2.096 1.529 11.772 1.00 0.00 C ATOM 1415 OD1 ASN A 95 -2.767 0.596 11.366 1.00 0.00 O ATOM 1416 ND2 ASN A 95 -1.917 1.812 13.059 1.00 0.00 N ATOM 0 H ASN A 95 1.155 1.568 9.395 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.672 1.015 9.276 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.514 2.924 11.320 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -2.043 3.309 10.555 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.355 1.232 13.774 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.342 2.609 13.331 1.00 0.00 H new ATOM 1423 N MET A 96 -1.889 3.335 7.998 1.00 0.00 N ATOM 1424 CA MET A 96 -1.881 4.339 6.948 1.00 0.00 C ATOM 1425 C MET A 96 -1.346 5.674 7.469 1.00 0.00 C ATOM 1426 O MET A 96 -1.559 6.022 8.630 1.00 0.00 O ATOM 1427 CB MET A 96 -3.303 4.531 6.415 1.00 0.00 C ATOM 1428 CG MET A 96 -3.586 3.578 5.253 1.00 0.00 C ATOM 1429 SD MET A 96 -3.771 4.502 3.737 1.00 0.00 S ATOM 1430 CE MET A 96 -2.084 4.485 3.155 1.00 0.00 C ATOM 0 H MET A 96 -2.816 3.088 8.345 1.00 0.00 H new ATOM 0 HA MET A 96 -1.226 3.995 6.147 1.00 0.00 H new ATOM 0 HB2 MET A 96 -4.022 4.357 7.216 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.436 5.561 6.085 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.772 2.860 5.154 1.00 0.00 H new ATOM 0 HG3 MET A 96 -4.492 3.006 5.453 1.00 0.00 H new ATOM 0 HE1 MET A 96 -2.074 4.532 2.066 1.00 0.00 H new ATOM 0 HE2 MET A 96 -1.551 5.345 3.560 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.595 3.567 3.483 1.00 0.00 H new ATOM 1440 N ALA A 97 -0.662 6.387 6.586 1.00 0.00 N ATOM 1441 CA ALA A 97 -0.096 7.676 6.943 1.00 0.00 C ATOM 1442 C ALA A 97 -1.226 8.647 7.290 1.00 0.00 C ATOM 1443 O ALA A 97 -1.225 9.248 8.363 1.00 0.00 O ATOM 1444 CB ALA A 97 0.778 8.185 5.794 1.00 0.00 C ATOM 0 H ALA A 97 -0.487 6.096 5.624 1.00 0.00 H new ATOM 0 HA ALA A 97 0.541 7.585 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.203 9.152 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.583 7.474 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.171 8.291 4.895 1.00 0.00 H new ATOM 1450 N GLY A 98 -2.163 8.770 6.361 1.00 0.00 N ATOM 1451 CA GLY A 98 -3.297 9.658 6.556 1.00 0.00 C ATOM 1452 C GLY A 98 -4.503 8.895 7.108 1.00 0.00 C ATOM 1453 O GLY A 98 -5.473 8.657 6.390 1.00 0.00 O ATOM 0 H GLY A 98 -2.160 8.270 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.023 10.458 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.562 10.128 5.609 1.00 0.00 H new ATOM 1457 N GLU A 99 -4.402 8.532 8.378 1.00 0.00 N ATOM 1458 CA GLU A 99 -5.472 7.800 9.035 1.00 0.00 C ATOM 1459 C GLU A 99 -6.601 8.754 9.431 1.00 0.00 C ATOM 1460 O GLU A 99 -6.395 9.670 10.226 1.00 0.00 O ATOM 1461 CB GLU A 99 -4.947 7.036 10.252 1.00 0.00 C ATOM 1462 CG GLU A 99 -5.089 5.526 10.054 1.00 0.00 C ATOM 1463 CD GLU A 99 -4.885 4.778 11.373 1.00 0.00 C ATOM 1464 OE1 GLU A 99 -5.520 5.196 12.366 1.00 0.00 O ATOM 1465 OE2 GLU A 99 -4.100 3.805 11.359 1.00 0.00 O ATOM 0 H GLU A 99 -3.596 8.731 8.970 1.00 0.00 H new ATOM 0 HA GLU A 99 -5.870 7.068 8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.900 7.288 10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -5.495 7.343 11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.077 5.300 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.360 5.182 9.320 1.00 0.00 H new ATOM 1472 N PRO A 100 -7.801 8.499 8.844 1.00 0.00 N ATOM 1473 CA PRO A 100 -8.963 9.323 9.127 1.00 0.00 C ATOM 1474 C PRO A 100 -9.535 9.008 10.511 1.00 0.00 C ATOM 1475 O PRO A 100 -8.856 8.411 11.346 1.00 0.00 O ATOM 1476 CB PRO A 100 -9.940 9.028 8.000 1.00 0.00 C ATOM 1477 CG PRO A 100 -9.484 7.713 7.388 1.00 0.00 C ATOM 1478 CD PRO A 100 -8.082 7.423 7.898 1.00 0.00 C ATOM 0 HA PRO A 100 -8.725 10.386 9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.960 8.951 8.377 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.934 9.827 7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.165 6.907 7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.489 7.776 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.031 6.447 8.381 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.358 7.413 7.083 1.00 0.00 H new ATOM 1486 N LYS A 101 -10.777 9.424 10.712 1.00 0.00 N ATOM 1487 CA LYS A 101 -11.447 9.194 11.980 1.00 0.00 C ATOM 1488 C LYS A 101 -11.406 7.700 12.310 1.00 0.00 C ATOM 1489 O LYS A 101 -11.316 6.865 11.412 1.00 0.00 O ATOM 1490 CB LYS A 101 -12.860 9.779 11.953 1.00 0.00 C ATOM 1491 CG LYS A 101 -13.754 9.010 10.978 1.00 0.00 C ATOM 1492 CD LYS A 101 -15.204 9.490 11.067 1.00 0.00 C ATOM 1493 CE LYS A 101 -15.969 9.164 9.783 1.00 0.00 C ATOM 1494 NZ LYS A 101 -16.613 7.836 9.886 1.00 0.00 N ATOM 0 H LYS A 101 -11.337 9.919 10.018 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.927 9.713 12.785 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -13.291 9.743 12.953 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.817 10.829 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.386 9.141 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.706 7.944 11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.696 9.018 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.225 10.565 11.244 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.725 9.928 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -15.287 9.179 8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.128 7.631 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.886 7.109 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.279 7.834 10.685 1.00 0.00 H new ATOM 1508 N PRO A 102 -11.475 7.402 13.636 1.00 0.00 N ATOM 1509 CA PRO A 102 -11.447 6.024 14.095 1.00 0.00 C ATOM 1510 C PRO A 102 -12.786 5.331 13.834 1.00 0.00 C ATOM 1511 O PRO A 102 -13.647 5.286 14.711 1.00 0.00 O ATOM 1512 CB PRO A 102 -11.100 6.110 15.573 1.00 0.00 C ATOM 1513 CG PRO A 102 -11.404 7.539 15.990 1.00 0.00 C ATOM 1514 CD PRO A 102 -11.582 8.366 14.727 1.00 0.00 C ATOM 0 HA PRO A 102 -10.715 5.417 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.688 5.400 16.154 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.051 5.869 15.743 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.307 7.575 16.600 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.593 7.940 16.598 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -12.548 8.870 14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.818 9.139 14.649 1.00 0.00 H new ATOM 1522 N ASP A 103 -12.919 4.810 12.623 1.00 0.00 N ATOM 1523 CA ASP A 103 -14.139 4.121 12.236 1.00 0.00 C ATOM 1524 C ASP A 103 -13.883 2.613 12.215 1.00 0.00 C ATOM 1525 O ASP A 103 -12.815 2.166 11.798 1.00 0.00 O ATOM 1526 CB ASP A 103 -14.588 4.544 10.836 1.00 0.00 C ATOM 1527 CG ASP A 103 -13.896 3.811 9.685 1.00 0.00 C ATOM 1528 OD1 ASP A 103 -12.658 3.657 9.774 1.00 0.00 O ATOM 1529 OD2 ASP A 103 -14.619 3.422 8.743 1.00 0.00 O ATOM 0 H ASP A 103 -12.203 4.851 11.898 1.00 0.00 H new ATOM 0 HA ASP A 103 -14.915 4.377 12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -15.663 4.386 10.753 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -14.413 5.614 10.723 1.00 0.00 H new ATOM 1534 N ARG A 104 -14.881 1.870 12.670 1.00 0.00 N ATOM 1535 CA ARG A 104 -14.778 0.421 12.709 1.00 0.00 C ATOM 1536 C ARG A 104 -15.479 -0.194 11.495 1.00 0.00 C ATOM 1537 O ARG A 104 -16.707 -0.249 11.445 1.00 0.00 O ATOM 1538 CB ARG A 104 -15.400 -0.142 13.988 1.00 0.00 C ATOM 1539 CG ARG A 104 -14.876 -1.549 14.280 1.00 0.00 C ATOM 1540 CD ARG A 104 -15.563 -2.146 15.510 1.00 0.00 C ATOM 1541 NE ARG A 104 -14.982 -1.572 16.743 1.00 0.00 N ATOM 1542 CZ ARG A 104 -15.397 -0.430 17.308 1.00 0.00 C ATOM 1543 NH1 ARG A 104 -16.398 0.267 16.754 1.00 0.00 N ATOM 1544 NH2 ARG A 104 -14.811 0.016 18.428 1.00 0.00 N ATOM 0 H ARG A 104 -15.765 2.244 13.015 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.719 0.164 12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -15.173 0.516 14.827 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -16.485 -0.168 13.888 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -15.047 -2.191 13.416 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -13.799 -1.513 14.442 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -16.633 -1.942 15.474 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -15.445 -3.230 15.513 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.218 -2.077 17.191 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -16.845 -0.072 15.902 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.714 1.136 17.184 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.049 -0.514 18.851 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -15.127 0.885 18.858 1.00 0.00 H new ATOM 1558 N SER A 105 -14.669 -0.641 10.548 1.00 0.00 N ATOM 1559 CA SER A 105 -15.196 -1.250 9.338 1.00 0.00 C ATOM 1560 C SER A 105 -14.166 -2.214 8.746 1.00 0.00 C ATOM 1561 O SER A 105 -12.964 -1.966 8.820 1.00 0.00 O ATOM 1562 CB SER A 105 -15.580 -0.186 8.308 1.00 0.00 C ATOM 1563 OG SER A 105 -16.875 -0.417 7.760 1.00 0.00 O ATOM 0 H SER A 105 -13.651 -0.594 10.593 1.00 0.00 H new ATOM 0 HA SER A 105 -16.097 -1.806 9.599 1.00 0.00 H new ATOM 0 HB2 SER A 105 -15.555 0.798 8.776 1.00 0.00 H new ATOM 0 HB3 SER A 105 -14.843 -0.176 7.505 1.00 0.00 H new ATOM 0 HG SER A 105 -17.084 0.284 7.108 1.00 0.00 H new ATOM 1569 N GLY A 106 -14.676 -3.294 8.171 1.00 0.00 N ATOM 1570 CA GLY A 106 -13.815 -4.297 7.567 1.00 0.00 C ATOM 1571 C GLY A 106 -14.115 -5.688 8.129 1.00 0.00 C ATOM 1572 O GLY A 106 -14.022 -5.907 9.335 1.00 0.00 O ATOM 0 H GLY A 106 -15.674 -3.496 8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.956 -4.299 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.771 -4.044 7.751 1.00 0.00 H new ATOM 1576 N PRO A 107 -14.478 -6.616 7.203 1.00 0.00 N ATOM 1577 CA PRO A 107 -14.792 -7.979 7.594 1.00 0.00 C ATOM 1578 C PRO A 107 -13.520 -8.761 7.928 1.00 0.00 C ATOM 1579 O PRO A 107 -13.226 -9.776 7.299 1.00 0.00 O ATOM 1580 CB PRO A 107 -15.553 -8.561 6.413 1.00 0.00 C ATOM 1581 CG PRO A 107 -15.235 -7.664 5.229 1.00 0.00 C ATOM 1582 CD PRO A 107 -14.598 -6.392 5.765 1.00 0.00 C ATOM 0 HA PRO A 107 -15.393 -8.028 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -15.245 -9.588 6.218 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -16.625 -8.581 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -14.558 -8.168 4.539 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.143 -7.431 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -13.624 -6.214 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -15.215 -5.519 5.550 1.00 0.00 H new ATOM 1590 N SER A 108 -12.798 -8.257 8.919 1.00 0.00 N ATOM 1591 CA SER A 108 -11.564 -8.895 9.345 1.00 0.00 C ATOM 1592 C SER A 108 -11.765 -9.566 10.706 1.00 0.00 C ATOM 1593 O SER A 108 -12.204 -8.925 11.659 1.00 0.00 O ATOM 1594 CB SER A 108 -10.418 -7.885 9.416 1.00 0.00 C ATOM 1595 OG SER A 108 -9.517 -8.022 8.319 1.00 0.00 O ATOM 0 H SER A 108 -13.044 -7.415 9.439 1.00 0.00 H new ATOM 0 HA SER A 108 -11.299 -9.653 8.608 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.826 -6.874 9.426 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.874 -8.019 10.351 1.00 0.00 H new ATOM 0 HG SER A 108 -8.800 -7.358 8.400 1.00 0.00 H new ATOM 1601 N SER A 109 -11.433 -10.848 10.752 1.00 0.00 N ATOM 1602 CA SER A 109 -11.572 -11.613 11.980 1.00 0.00 C ATOM 1603 C SER A 109 -10.762 -12.908 11.884 1.00 0.00 C ATOM 1604 O SER A 109 -9.878 -13.153 12.703 1.00 0.00 O ATOM 1605 CB SER A 109 -13.040 -11.926 12.271 1.00 0.00 C ATOM 1606 OG SER A 109 -13.186 -12.846 13.350 1.00 0.00 O ATOM 0 H SER A 109 -11.068 -11.376 9.959 1.00 0.00 H new ATOM 0 HA SER A 109 -11.187 -11.011 12.803 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.568 -11.002 12.508 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.507 -12.339 11.377 1.00 0.00 H new ATOM 0 HG SER A 109 -14.138 -13.019 13.506 1.00 0.00 H new ATOM 1612 N GLY A 110 -11.093 -13.702 10.876 1.00 0.00 N ATOM 1613 CA GLY A 110 -10.408 -14.965 10.663 1.00 0.00 C ATOM 1614 C GLY A 110 -11.216 -15.878 9.738 1.00 0.00 C ATOM 1615 O GLY A 110 -11.927 -16.766 10.204 1.00 0.00 O ATOM 0 H GLY A 110 -11.826 -13.495 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.425 -14.781 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.247 -15.461 11.620 1.00 0.00 H new TER 1619 GLY A 110