USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 830 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 18 SER OG : rot -165:sc= 0.0951 USER MOD Set 1.2: A 32 HIS : no HE2:sc= -10.5! C(o=-10!,f=-9.2!) USER MOD Set 1.3: A 36 HIS : no HD1:sc= 0.089 K(o=-10,f=-9.4) USER MOD Set 2.1: A 10 GLN : amide:sc= -6.83! C(o=-11!,f=-26!) USER MOD Set 2.2: A 14 GLN : amide:sc= -5.55! C(o=-11!,f=-22!) USER MOD Set 2.3: A 37 TYR OH : rot -97:sc= 1.05 USER MOD Single : A 1 GLU N :NH3+ -157:sc= -0.206 (180deg=-0.917) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -148:sc= -0.0804 (180deg=-0.208) USER MOD Single : A 6 TYR OH : rot -116:sc= 1.47 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -110:sc= -1.4 USER MOD Single : A 20 GLN : amide:sc= -0.831 X(o=-0.83,f=-0.4) USER MOD Single : A 23 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.3) USER MOD Single : A 25 THR OG1 : rot 84:sc= -0.158 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -68:sc= -0.553 USER MOD Single : A 34 THR OG1 : rot -90:sc= -2.79 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 130:sc= -2.7! USER MOD Single : A 40 TYR OH : rot 30:sc= -1 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= -0.0279 (180deg=-0.253) USER MOD Single : A 48 GLN : amide:sc= -2.93! K(o=-2.9!,f=-1.2) USER MOD Single : A 49 ASN : amide:sc= -1.06 K(o=-1.1,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.67) USER MOD Single : A 54 ASN : amide:sc= -10.8! C(o=-11!,f=-7.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -7.59! C(o=-7.6!,f=-14!) USER MOD Single : A 60 TYR OH : rot 180:sc= -5.64! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -30:sc= 1 USER MOD Single : A 68 GLN : amide:sc= -0.35 K(o=-0.35,f=-2.1!) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0698) USER MOD Single : A 75 SER OG : rot -9:sc= 0.936 USER MOD Single : A 83 SER OG : rot 180:sc= -1.66! USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.793) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 101 SER OG : rot 16:sc= 0.00437 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 17.966 8.168 -8.266 1.00 0.00 N ATOM 2 CA GLU A 1 17.525 9.083 -7.177 1.00 0.00 C ATOM 3 C GLU A 1 16.007 9.262 -7.240 1.00 0.00 C ATOM 4 O GLU A 1 15.390 9.736 -6.307 1.00 0.00 O ATOM 5 CB GLU A 1 18.204 10.443 -7.347 1.00 0.00 C ATOM 6 CG GLU A 1 19.674 10.239 -7.717 1.00 0.00 C ATOM 7 CD GLU A 1 20.480 11.472 -7.309 1.00 0.00 C ATOM 8 OE1 GLU A 1 20.937 11.510 -6.177 1.00 0.00 O ATOM 9 OE2 GLU A 1 20.629 12.358 -8.134 1.00 0.00 O ATOM 0 H1 GLU A 1 18.879 7.740 -8.011 1.00 0.00 H new ATOM 0 H2 GLU A 1 17.257 7.419 -8.398 1.00 0.00 H new ATOM 0 H3 GLU A 1 18.070 8.706 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 1 17.800 8.656 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 1 17.699 11.018 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 1 18.127 11.017 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 1 20.066 9.354 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 1 19.769 10.068 -8.789 1.00 0.00 H new ATOM 18 N SER A 2 15.400 8.888 -8.333 1.00 0.00 N ATOM 19 CA SER A 2 13.922 9.040 -8.451 1.00 0.00 C ATOM 20 C SER A 2 13.350 7.874 -9.261 1.00 0.00 C ATOM 21 O SER A 2 14.077 7.105 -9.859 1.00 0.00 O ATOM 22 CB SER A 2 13.601 10.357 -9.158 1.00 0.00 C ATOM 23 OG SER A 2 14.814 11.040 -9.450 1.00 0.00 O ATOM 0 H SER A 2 15.862 8.485 -9.148 1.00 0.00 H new ATOM 0 HA SER A 2 13.477 9.043 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.048 10.164 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.964 10.976 -8.527 1.00 0.00 H new ATOM 0 HG SER A 2 14.613 11.884 -9.905 1.00 0.00 H new ATOM 29 N LYS A 3 12.052 7.736 -9.286 1.00 0.00 N ATOM 30 CA LYS A 3 11.435 6.621 -10.057 1.00 0.00 C ATOM 31 C LYS A 3 10.625 7.192 -11.226 1.00 0.00 C ATOM 32 O LYS A 3 9.436 7.408 -11.108 1.00 0.00 O ATOM 33 CB LYS A 3 10.514 5.811 -9.143 1.00 0.00 C ATOM 34 CG LYS A 3 9.853 6.741 -8.125 1.00 0.00 C ATOM 35 CD LYS A 3 10.719 6.816 -6.865 1.00 0.00 C ATOM 36 CE LYS A 3 10.184 7.912 -5.940 1.00 0.00 C ATOM 37 NZ LYS A 3 10.567 9.246 -6.482 1.00 0.00 N ATOM 0 H LYS A 3 11.393 8.348 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 3 12.221 5.972 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.752 5.304 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.085 5.038 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.728 7.736 -8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.858 6.374 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.713 5.856 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.754 7.026 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.100 7.838 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.588 7.785 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.715 9.911 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.446 9.158 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.808 9.601 -7.098 1.00 0.00 H new ATOM 51 N PRO A 4 11.304 7.421 -12.321 1.00 0.00 N ATOM 52 CA PRO A 4 10.688 7.970 -13.544 1.00 0.00 C ATOM 53 C PRO A 4 9.789 6.960 -14.303 1.00 0.00 C ATOM 54 O PRO A 4 8.840 7.380 -14.935 1.00 0.00 O ATOM 55 CB PRO A 4 11.891 8.402 -14.391 1.00 0.00 C ATOM 56 CG PRO A 4 13.109 7.603 -13.871 1.00 0.00 C ATOM 57 CD PRO A 4 12.755 7.157 -12.438 1.00 0.00 C ATOM 0 HA PRO A 4 10.004 8.786 -13.310 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.715 8.196 -15.447 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.064 9.474 -14.300 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.309 6.741 -14.508 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.008 8.219 -13.875 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.981 6.102 -12.282 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.323 7.718 -11.695 1.00 0.00 H new ATOM 65 N PRO A 5 10.084 5.672 -14.251 1.00 0.00 N ATOM 66 CA PRO A 5 9.264 4.670 -14.964 1.00 0.00 C ATOM 67 C PRO A 5 7.944 4.412 -14.230 1.00 0.00 C ATOM 68 O PRO A 5 6.879 4.479 -14.811 1.00 0.00 O ATOM 69 CB PRO A 5 10.140 3.414 -14.965 1.00 0.00 C ATOM 70 CG PRO A 5 11.131 3.579 -13.793 1.00 0.00 C ATOM 71 CD PRO A 5 11.219 5.088 -13.504 1.00 0.00 C ATOM 0 HA PRO A 5 8.987 4.994 -15.967 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.534 2.517 -14.839 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.670 3.310 -15.912 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.786 3.035 -12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.110 3.176 -14.053 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.140 5.293 -12.436 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.170 5.502 -13.839 1.00 0.00 H new ATOM 79 N TYR A 6 8.004 4.108 -12.964 1.00 0.00 N ATOM 80 CA TYR A 6 6.755 3.838 -12.204 1.00 0.00 C ATOM 81 C TYR A 6 6.086 5.152 -11.821 1.00 0.00 C ATOM 82 O TYR A 6 6.687 6.207 -11.861 1.00 0.00 O ATOM 83 CB TYR A 6 7.099 3.044 -10.950 1.00 0.00 C ATOM 84 CG TYR A 6 8.017 1.917 -11.337 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.736 1.151 -12.475 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.149 1.642 -10.568 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.592 0.106 -12.842 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.005 0.596 -10.933 1.00 0.00 C ATOM 89 CZ TYR A 6 9.727 -0.172 -12.070 1.00 0.00 C ATOM 90 OH TYR A 6 10.572 -1.201 -12.430 1.00 0.00 O ATOM 0 H TYR A 6 8.866 4.035 -12.423 1.00 0.00 H new ATOM 0 HA TYR A 6 6.066 3.263 -12.823 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.579 3.688 -10.213 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.192 2.653 -10.488 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.860 1.366 -13.069 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.364 2.236 -9.692 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.377 -0.485 -13.720 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.880 0.382 -10.337 1.00 0.00 H new ATOM 0 HH TYR A 6 10.568 -1.888 -11.731 1.00 0.00 H new ATOM 100 N SER A 7 4.838 5.093 -11.461 1.00 0.00 N ATOM 101 CA SER A 7 4.110 6.329 -11.083 1.00 0.00 C ATOM 102 C SER A 7 3.250 6.050 -9.852 1.00 0.00 C ATOM 103 O SER A 7 3.422 5.054 -9.180 1.00 0.00 O ATOM 104 CB SER A 7 3.224 6.752 -12.250 1.00 0.00 C ATOM 105 OG SER A 7 3.481 8.114 -12.567 1.00 0.00 O ATOM 0 H SER A 7 4.288 4.235 -11.412 1.00 0.00 H new ATOM 0 HA SER A 7 4.816 7.127 -10.852 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.420 6.122 -13.117 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.174 6.619 -11.991 1.00 0.00 H new ATOM 0 HG SER A 7 2.914 8.388 -13.318 1.00 0.00 H new ATOM 111 N TYR A 8 2.329 6.918 -9.544 1.00 0.00 N ATOM 112 CA TYR A 8 1.470 6.688 -8.350 1.00 0.00 C ATOM 113 C TYR A 8 0.106 6.145 -8.783 1.00 0.00 C ATOM 114 O TYR A 8 -0.927 6.721 -8.507 1.00 0.00 O ATOM 115 CB TYR A 8 1.311 7.999 -7.586 1.00 0.00 C ATOM 116 CG TYR A 8 2.585 8.255 -6.819 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.101 7.262 -5.976 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.258 9.472 -6.959 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.287 7.489 -5.273 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.447 9.698 -6.256 1.00 0.00 C ATOM 121 CZ TYR A 8 4.961 8.706 -5.412 1.00 0.00 C ATOM 122 OH TYR A 8 6.133 8.930 -4.719 1.00 0.00 O ATOM 0 H TYR A 8 2.134 7.773 -10.064 1.00 0.00 H new ATOM 0 HA TYR A 8 1.938 5.951 -7.697 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.111 8.819 -8.276 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.462 7.941 -6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.582 6.321 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.861 10.237 -7.609 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.683 6.724 -4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.968 10.638 -6.365 1.00 0.00 H new ATOM 0 HH TYR A 8 6.472 9.825 -4.930 1.00 0.00 H new ATOM 132 N ALA A 9 0.110 5.029 -9.457 1.00 0.00 N ATOM 133 CA ALA A 9 -1.164 4.408 -9.921 1.00 0.00 C ATOM 134 C ALA A 9 -0.819 3.132 -10.685 1.00 0.00 C ATOM 135 O ALA A 9 -1.441 2.102 -10.517 1.00 0.00 O ATOM 136 CB ALA A 9 -1.913 5.373 -10.838 1.00 0.00 C ATOM 0 H ALA A 9 0.953 4.513 -9.710 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.802 4.178 -9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.842 4.911 -11.172 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.139 6.290 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.293 5.608 -11.703 1.00 0.00 H new ATOM 142 N GLN A 10 0.197 3.193 -11.501 1.00 0.00 N ATOM 143 CA GLN A 10 0.631 1.987 -12.259 1.00 0.00 C ATOM 144 C GLN A 10 1.644 1.260 -11.386 1.00 0.00 C ATOM 145 O GLN A 10 1.726 0.048 -11.364 1.00 0.00 O ATOM 146 CB GLN A 10 1.283 2.403 -13.583 1.00 0.00 C ATOM 147 CG GLN A 10 2.469 3.332 -13.309 1.00 0.00 C ATOM 148 CD GLN A 10 3.767 2.522 -13.302 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.257 2.147 -12.256 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.351 2.237 -14.434 1.00 0.00 N ATOM 0 H GLN A 10 0.749 4.033 -11.676 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.219 1.345 -12.492 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.619 1.520 -14.126 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.553 2.908 -14.216 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.518 4.109 -14.071 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.337 3.834 -12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.940 2.551 -15.313 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.218 1.700 -14.439 1.00 0.00 H new ATOM 159 N LEU A 11 2.389 2.016 -10.629 1.00 0.00 N ATOM 160 CA LEU A 11 3.380 1.420 -9.700 1.00 0.00 C ATOM 161 C LEU A 11 2.635 0.411 -8.829 1.00 0.00 C ATOM 162 O LEU A 11 3.132 -0.645 -8.491 1.00 0.00 O ATOM 163 CB LEU A 11 3.939 2.547 -8.833 1.00 0.00 C ATOM 164 CG LEU A 11 4.733 1.975 -7.668 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.197 2.357 -7.835 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.204 2.571 -6.364 1.00 0.00 C ATOM 0 H LEU A 11 2.350 3.035 -10.617 1.00 0.00 H new ATOM 0 HA LEU A 11 4.196 0.926 -10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.578 3.194 -9.434 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.123 3.164 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 11 4.633 0.890 -7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.776 1.952 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.574 1.950 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.291 3.443 -7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.768 2.166 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.316 3.655 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.150 2.318 -6.249 1.00 0.00 H new ATOM 178 N ILE A 12 1.420 0.747 -8.494 1.00 0.00 N ATOM 179 CA ILE A 12 0.562 -0.155 -7.667 1.00 0.00 C ATOM 180 C ILE A 12 0.182 -1.379 -8.494 1.00 0.00 C ATOM 181 O ILE A 12 0.309 -2.507 -8.059 1.00 0.00 O ATOM 182 CB ILE A 12 -0.715 0.589 -7.291 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.411 2.064 -6.989 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.349 -0.069 -6.071 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.819 2.184 -6.085 1.00 0.00 C ATOM 0 H ILE A 12 0.975 1.625 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 12 1.103 -0.460 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.408 0.543 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.239 2.604 -7.920 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.271 2.527 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.262 0.464 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.589 -1.107 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.650 -0.035 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.020 3.236 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.633 1.662 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.681 1.740 -6.583 1.00 0.00 H new ATOM 197 N VAL A 13 -0.296 -1.159 -9.687 1.00 0.00 N ATOM 198 CA VAL A 13 -0.704 -2.297 -10.553 1.00 0.00 C ATOM 199 C VAL A 13 0.417 -3.331 -10.585 1.00 0.00 C ATOM 200 O VAL A 13 0.210 -4.484 -10.276 1.00 0.00 O ATOM 201 CB VAL A 13 -0.952 -1.785 -11.970 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.531 -2.910 -12.828 1.00 0.00 C ATOM 203 CG2 VAL A 13 -1.938 -0.620 -11.918 1.00 0.00 C ATOM 0 H VAL A 13 -0.422 -0.235 -10.100 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.613 -2.751 -10.159 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.012 -1.449 -12.407 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.707 -2.543 -13.839 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.827 -3.741 -12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.472 -3.249 -12.396 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.118 -0.251 -12.928 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.878 -0.958 -11.482 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.522 0.182 -11.307 1.00 0.00 H new ATOM 213 N GLN A 14 1.611 -2.941 -10.926 1.00 0.00 N ATOM 214 CA GLN A 14 2.708 -3.941 -10.931 1.00 0.00 C ATOM 215 C GLN A 14 2.754 -4.561 -9.539 1.00 0.00 C ATOM 216 O GLN A 14 3.094 -5.714 -9.363 1.00 0.00 O ATOM 217 CB GLN A 14 4.040 -3.256 -11.240 1.00 0.00 C ATOM 218 CG GLN A 14 3.951 -2.568 -12.603 1.00 0.00 C ATOM 219 CD GLN A 14 4.242 -1.076 -12.441 1.00 0.00 C ATOM 220 OE1 GLN A 14 3.475 -0.245 -12.882 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.324 -0.699 -11.824 1.00 0.00 N ATOM 0 H GLN A 14 1.871 -1.992 -11.196 1.00 0.00 H new ATOM 0 HA GLN A 14 2.535 -4.702 -11.692 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.274 -2.525 -10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.847 -3.989 -11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.664 -3.015 -13.295 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.959 -2.712 -13.031 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.969 -1.397 -11.453 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.527 0.294 -11.711 1.00 0.00 H new ATOM 230 N ALA A 15 2.388 -3.793 -8.550 1.00 0.00 N ATOM 231 CA ALA A 15 2.372 -4.305 -7.158 1.00 0.00 C ATOM 232 C ALA A 15 1.235 -5.316 -6.994 1.00 0.00 C ATOM 233 O ALA A 15 1.426 -6.415 -6.513 1.00 0.00 O ATOM 234 CB ALA A 15 2.130 -3.134 -6.207 1.00 0.00 C ATOM 0 H ALA A 15 2.096 -2.821 -8.652 1.00 0.00 H new ATOM 0 HA ALA A 15 3.324 -4.787 -6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.116 -3.497 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.928 -2.401 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.173 -2.668 -6.440 1.00 0.00 H new ATOM 240 N ILE A 16 0.046 -4.934 -7.376 1.00 0.00 N ATOM 241 CA ILE A 16 -1.126 -5.852 -7.224 1.00 0.00 C ATOM 242 C ILE A 16 -1.265 -6.764 -8.450 1.00 0.00 C ATOM 243 O ILE A 16 -1.330 -7.970 -8.330 1.00 0.00 O ATOM 244 CB ILE A 16 -2.433 -5.058 -7.017 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.204 -3.542 -7.178 1.00 0.00 C ATOM 246 CG2 ILE A 16 -2.951 -5.331 -5.608 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.328 -2.767 -6.488 1.00 0.00 C ATOM 0 H ILE A 16 -0.167 -4.025 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.948 -6.466 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.154 -5.377 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.242 -3.264 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.168 -3.282 -8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.875 -4.776 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.143 -6.398 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.205 -5.014 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.158 -1.697 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.284 -3.035 -6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.344 -3.016 -5.427 1.00 0.00 H new ATOM 259 N SER A 17 -1.324 -6.199 -9.624 1.00 0.00 N ATOM 260 CA SER A 17 -1.476 -7.037 -10.851 1.00 0.00 C ATOM 261 C SER A 17 -0.371 -8.097 -10.905 1.00 0.00 C ATOM 262 O SER A 17 -0.471 -9.071 -11.623 1.00 0.00 O ATOM 263 CB SER A 17 -1.387 -6.147 -12.092 1.00 0.00 C ATOM 264 OG SER A 17 -2.630 -5.484 -12.285 1.00 0.00 O ATOM 0 H SER A 17 -1.274 -5.194 -9.789 1.00 0.00 H new ATOM 0 HA SER A 17 -2.446 -7.533 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.587 -5.417 -11.973 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.142 -6.748 -12.968 1.00 0.00 H new ATOM 0 HG SER A 17 -3.074 -5.847 -13.080 1.00 0.00 H new ATOM 270 N SER A 18 0.680 -7.920 -10.153 1.00 0.00 N ATOM 271 CA SER A 18 1.780 -8.926 -10.167 1.00 0.00 C ATOM 272 C SER A 18 1.544 -9.956 -9.059 1.00 0.00 C ATOM 273 O SER A 18 2.041 -11.063 -9.110 1.00 0.00 O ATOM 274 CB SER A 18 3.117 -8.223 -9.932 1.00 0.00 C ATOM 275 OG SER A 18 4.173 -9.167 -10.054 1.00 0.00 O ATOM 0 H SER A 18 0.825 -7.125 -9.531 1.00 0.00 H new ATOM 0 HA SER A 18 1.799 -9.430 -11.134 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.249 -7.417 -10.654 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.133 -7.769 -8.941 1.00 0.00 H new ATOM 0 HG SER A 18 4.995 -8.789 -9.677 1.00 0.00 H new ATOM 281 N ALA A 19 0.789 -9.598 -8.056 1.00 0.00 N ATOM 282 CA ALA A 19 0.522 -10.555 -6.943 1.00 0.00 C ATOM 283 C ALA A 19 -0.201 -11.789 -7.484 1.00 0.00 C ATOM 284 O ALA A 19 -0.275 -12.003 -8.679 1.00 0.00 O ATOM 285 CB ALA A 19 -0.354 -9.876 -5.889 1.00 0.00 C ATOM 0 H ALA A 19 0.345 -8.685 -7.959 1.00 0.00 H new ATOM 0 HA ALA A 19 1.468 -10.859 -6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.550 -10.574 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.161 -8.998 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.298 -9.572 -6.341 1.00 0.00 H new ATOM 291 N GLN A 20 -0.736 -12.602 -6.615 1.00 0.00 N ATOM 292 CA GLN A 20 -1.453 -13.819 -7.085 1.00 0.00 C ATOM 293 C GLN A 20 -2.481 -13.419 -8.143 1.00 0.00 C ATOM 294 O GLN A 20 -2.254 -13.563 -9.328 1.00 0.00 O ATOM 295 CB GLN A 20 -2.159 -14.488 -5.901 1.00 0.00 C ATOM 296 CG GLN A 20 -1.134 -14.809 -4.812 1.00 0.00 C ATOM 297 CD GLN A 20 0.071 -15.511 -5.439 1.00 0.00 C ATOM 298 OE1 GLN A 20 1.203 -15.171 -5.155 1.00 0.00 O ATOM 299 NE2 GLN A 20 -0.125 -16.481 -6.289 1.00 0.00 N ATOM 0 H GLN A 20 -0.708 -12.476 -5.603 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.741 -14.521 -7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.932 -13.829 -5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.656 -15.401 -6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.817 -13.893 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.584 -15.446 -4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.075 -16.766 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.672 -16.954 -6.715 1.00 0.00 H new ATOM 308 N ASP A 21 -3.607 -12.910 -7.728 1.00 0.00 N ATOM 309 CA ASP A 21 -4.640 -12.495 -8.714 1.00 0.00 C ATOM 310 C ASP A 21 -4.427 -11.025 -9.080 1.00 0.00 C ATOM 311 O ASP A 21 -3.941 -10.703 -10.147 1.00 0.00 O ATOM 312 CB ASP A 21 -6.031 -12.678 -8.103 1.00 0.00 C ATOM 313 CG ASP A 21 -6.824 -13.686 -8.934 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.608 -13.736 -10.133 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.634 -14.393 -8.357 1.00 0.00 O ATOM 0 H ASP A 21 -3.856 -12.764 -6.750 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.558 -13.108 -9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.945 -13.027 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.555 -11.723 -8.073 1.00 0.00 H new ATOM 320 N ARG A 22 -4.786 -10.128 -8.200 1.00 0.00 N ATOM 321 CA ARG A 22 -4.605 -8.678 -8.491 1.00 0.00 C ATOM 322 C ARG A 22 -5.132 -7.854 -7.313 1.00 0.00 C ATOM 323 O ARG A 22 -5.834 -6.878 -7.493 1.00 0.00 O ATOM 324 CB ARG A 22 -5.378 -8.311 -9.760 1.00 0.00 C ATOM 325 CG ARG A 22 -6.869 -8.585 -9.551 1.00 0.00 C ATOM 326 CD ARG A 22 -7.519 -8.922 -10.895 1.00 0.00 C ATOM 327 NE ARG A 22 -7.167 -10.316 -11.282 1.00 0.00 N ATOM 328 CZ ARG A 22 -7.954 -10.992 -12.073 1.00 0.00 C ATOM 329 NH1 ARG A 22 -9.165 -11.291 -11.690 1.00 0.00 N ATOM 330 NH2 ARG A 22 -7.530 -11.369 -13.250 1.00 0.00 N ATOM 0 H ARG A 22 -5.197 -10.339 -7.291 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.546 -8.465 -8.639 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.222 -7.260 -10.002 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.006 -8.891 -10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.003 -9.411 -8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.352 -7.713 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.601 -8.815 -10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.179 -8.224 -11.660 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.310 -10.742 -10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.497 -10.996 -10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.780 -11.820 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.584 -11.135 -13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.145 -11.898 -13.868 1.00 0.00 H new ATOM 344 N GLN A 23 -4.807 -8.236 -6.107 1.00 0.00 N ATOM 345 CA GLN A 23 -5.304 -7.469 -4.927 1.00 0.00 C ATOM 346 C GLN A 23 -4.249 -7.472 -3.819 1.00 0.00 C ATOM 347 O GLN A 23 -3.553 -8.447 -3.609 1.00 0.00 O ATOM 348 CB GLN A 23 -6.586 -8.117 -4.405 1.00 0.00 C ATOM 349 CG GLN A 23 -6.270 -9.517 -3.877 1.00 0.00 C ATOM 350 CD GLN A 23 -7.566 -10.317 -3.747 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.336 -10.407 -4.683 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.842 -10.908 -2.616 1.00 0.00 N ATOM 0 H GLN A 23 -4.222 -9.042 -5.888 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.505 -6.441 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.018 -7.506 -3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.327 -8.176 -5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.582 -10.026 -4.553 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.774 -9.449 -2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.196 -10.833 -1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.704 -11.445 -2.518 1.00 0.00 H new ATOM 361 N LEU A 24 -4.129 -6.386 -3.104 1.00 0.00 N ATOM 362 CA LEU A 24 -3.131 -6.312 -2.007 1.00 0.00 C ATOM 363 C LEU A 24 -3.741 -5.579 -0.815 1.00 0.00 C ATOM 364 O LEU A 24 -4.660 -4.799 -0.960 1.00 0.00 O ATOM 365 CB LEU A 24 -1.916 -5.517 -2.482 1.00 0.00 C ATOM 366 CG LEU A 24 -0.958 -6.428 -3.244 1.00 0.00 C ATOM 367 CD1 LEU A 24 0.122 -5.575 -3.910 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.305 -7.408 -2.268 1.00 0.00 C ATOM 0 H LEU A 24 -4.686 -5.542 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.837 -7.322 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.237 -4.696 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.405 -5.073 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.506 -6.985 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.810 -6.220 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.344 -4.873 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.671 -5.023 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.380 -8.060 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.247 -6.853 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.076 -8.011 -1.788 1.00 0.00 H new ATOM 380 N THR A 25 -3.219 -5.794 0.360 1.00 0.00 N ATOM 381 CA THR A 25 -3.755 -5.073 1.543 1.00 0.00 C ATOM 382 C THR A 25 -3.159 -3.666 1.534 1.00 0.00 C ATOM 383 O THR A 25 -2.277 -3.372 0.753 1.00 0.00 O ATOM 384 CB THR A 25 -3.348 -5.804 2.825 1.00 0.00 C ATOM 385 OG1 THR A 25 -3.733 -5.028 3.952 1.00 0.00 O ATOM 386 CG2 THR A 25 -1.832 -6.009 2.839 1.00 0.00 C ATOM 0 H THR A 25 -2.448 -6.435 0.550 1.00 0.00 H new ATOM 0 HA THR A 25 -4.843 -5.028 1.505 1.00 0.00 H new ATOM 0 HB THR A 25 -3.843 -6.774 2.864 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.672 -5.208 4.168 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.544 -6.530 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.537 -6.603 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.334 -5.040 2.801 1.00 0.00 H new ATOM 394 N LEU A 26 -3.620 -2.787 2.375 1.00 0.00 N ATOM 395 CA LEU A 26 -3.043 -1.411 2.359 1.00 0.00 C ATOM 396 C LEU A 26 -1.519 -1.513 2.413 1.00 0.00 C ATOM 397 O LEU A 26 -0.816 -0.836 1.689 1.00 0.00 O ATOM 398 CB LEU A 26 -3.545 -0.597 3.557 1.00 0.00 C ATOM 399 CG LEU A 26 -3.759 0.854 3.120 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.429 1.637 4.249 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.407 1.496 2.794 1.00 0.00 C ATOM 0 H LEU A 26 -4.356 -2.953 3.061 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.355 -0.905 1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.477 -1.018 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.822 -0.642 4.372 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.396 0.872 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.580 2.670 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.392 1.184 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.793 1.616 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.560 2.529 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.771 1.474 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.926 0.942 1.988 1.00 0.00 H new ATOM 413 N SER A 27 -1.000 -2.353 3.265 1.00 0.00 N ATOM 414 CA SER A 27 0.479 -2.497 3.361 1.00 0.00 C ATOM 415 C SER A 27 0.931 -3.730 2.574 1.00 0.00 C ATOM 416 O SER A 27 1.871 -4.404 2.947 1.00 0.00 O ATOM 417 CB SER A 27 0.875 -2.663 4.824 1.00 0.00 C ATOM 418 OG SER A 27 1.495 -1.468 5.282 1.00 0.00 O ATOM 0 H SER A 27 -1.536 -2.946 3.899 1.00 0.00 H new ATOM 0 HA SER A 27 0.955 -1.608 2.947 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.005 -2.884 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.557 -3.506 4.935 1.00 0.00 H new ATOM 0 HG SER A 27 1.749 -1.571 6.223 1.00 0.00 H new ATOM 424 N GLY A 28 0.276 -4.028 1.487 1.00 0.00 N ATOM 425 CA GLY A 28 0.679 -5.216 0.677 1.00 0.00 C ATOM 426 C GLY A 28 1.477 -4.735 -0.526 1.00 0.00 C ATOM 427 O GLY A 28 2.498 -5.286 -0.888 1.00 0.00 O ATOM 0 H GLY A 28 -0.519 -3.503 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.278 -5.899 1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.202 -5.768 0.350 1.00 0.00 H new ATOM 431 N ILE A 29 0.996 -3.701 -1.141 1.00 0.00 N ATOM 432 CA ILE A 29 1.668 -3.130 -2.329 1.00 0.00 C ATOM 433 C ILE A 29 3.121 -2.801 -2.001 1.00 0.00 C ATOM 434 O ILE A 29 4.019 -3.023 -2.790 1.00 0.00 O ATOM 435 CB ILE A 29 0.939 -1.853 -2.695 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.633 -1.203 -3.898 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.943 -0.911 -1.487 1.00 0.00 C ATOM 438 CD1 ILE A 29 1.483 0.311 -3.831 1.00 0.00 C ATOM 0 H ILE A 29 0.143 -3.216 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 29 1.650 -3.844 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.094 -2.069 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.689 -1.472 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.200 -1.579 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.420 0.011 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.440 -1.393 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.971 -0.680 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.979 0.764 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.425 0.573 -3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.938 0.681 -2.912 1.00 0.00 H new ATOM 450 N TYR A 30 3.352 -2.267 -0.843 1.00 0.00 N ATOM 451 CA TYR A 30 4.744 -1.910 -0.449 1.00 0.00 C ATOM 452 C TYR A 30 5.563 -3.190 -0.307 1.00 0.00 C ATOM 453 O TYR A 30 6.598 -3.350 -0.924 1.00 0.00 O ATOM 454 CB TYR A 30 4.714 -1.167 0.887 1.00 0.00 C ATOM 455 CG TYR A 30 3.522 -0.245 0.905 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.355 0.694 -0.115 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.579 -0.334 1.929 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.249 1.543 -0.113 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.467 0.518 1.932 1.00 0.00 C ATOM 460 CZ TYR A 30 1.303 1.457 0.910 1.00 0.00 C ATOM 461 OH TYR A 30 0.209 2.297 0.913 1.00 0.00 O ATOM 0 H TYR A 30 2.637 -2.059 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 30 5.195 -1.270 -1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.654 -1.877 1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.633 -0.597 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.085 0.763 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.706 -1.059 2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.124 2.268 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.736 0.449 2.724 1.00 0.00 H new ATOM 0 HH TYR A 30 0.503 3.216 1.086 1.00 0.00 H new ATOM 471 N ALA A 31 5.102 -4.111 0.489 1.00 0.00 N ATOM 472 CA ALA A 31 5.850 -5.385 0.654 1.00 0.00 C ATOM 473 C ALA A 31 5.972 -6.067 -0.711 1.00 0.00 C ATOM 474 O ALA A 31 6.873 -6.849 -0.945 1.00 0.00 O ATOM 475 CB ALA A 31 5.094 -6.301 1.618 1.00 0.00 C ATOM 0 H ALA A 31 4.241 -4.037 1.031 1.00 0.00 H new ATOM 0 HA ALA A 31 6.842 -5.182 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.643 -7.235 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.997 -5.810 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.103 -6.512 1.217 1.00 0.00 H new ATOM 481 N HIS A 32 5.073 -5.775 -1.615 1.00 0.00 N ATOM 482 CA HIS A 32 5.140 -6.405 -2.962 1.00 0.00 C ATOM 483 C HIS A 32 6.221 -5.714 -3.793 1.00 0.00 C ATOM 484 O HIS A 32 7.199 -6.317 -4.187 1.00 0.00 O ATOM 485 CB HIS A 32 3.792 -6.252 -3.667 1.00 0.00 C ATOM 486 CG HIS A 32 3.883 -6.867 -5.034 1.00 0.00 C ATOM 487 ND1 HIS A 32 3.145 -7.982 -5.397 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.634 -6.539 -6.135 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.465 -8.283 -6.669 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.369 -7.434 -7.166 1.00 0.00 N ATOM 0 H HIS A 32 4.297 -5.128 -1.476 1.00 0.00 H new ATOM 0 HA HIS A 32 5.378 -7.463 -2.854 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.007 -6.737 -3.087 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.525 -5.198 -3.745 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.480 -8.483 -4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.326 -5.712 -6.192 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.043 -9.110 -7.221 1.00 0.00 H new ATOM 498 N ILE A 33 6.045 -4.451 -4.066 1.00 0.00 N ATOM 499 CA ILE A 33 7.052 -3.710 -4.876 1.00 0.00 C ATOM 500 C ILE A 33 8.432 -3.874 -4.237 1.00 0.00 C ATOM 501 O ILE A 33 9.433 -3.999 -4.913 1.00 0.00 O ATOM 502 CB ILE A 33 6.662 -2.228 -4.913 1.00 0.00 C ATOM 503 CG1 ILE A 33 7.342 -1.544 -6.104 1.00 0.00 C ATOM 504 CG2 ILE A 33 7.088 -1.536 -3.615 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.187 -0.026 -5.978 1.00 0.00 C ATOM 0 H ILE A 33 5.244 -3.898 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 33 7.083 -4.103 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 33 5.580 -2.152 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.398 -1.811 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.898 -1.889 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.805 -0.484 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.594 -2.014 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.169 -1.617 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.671 0.461 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.128 0.232 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.652 0.312 -5.052 1.00 0.00 H new ATOM 517 N THR A 34 8.484 -3.876 -2.937 1.00 0.00 N ATOM 518 CA THR A 34 9.792 -4.034 -2.243 1.00 0.00 C ATOM 519 C THR A 34 10.435 -5.348 -2.688 1.00 0.00 C ATOM 520 O THR A 34 11.642 -5.483 -2.720 1.00 0.00 O ATOM 521 CB THR A 34 9.566 -4.057 -0.729 1.00 0.00 C ATOM 522 OG1 THR A 34 8.486 -4.927 -0.428 1.00 0.00 O ATOM 523 CG2 THR A 34 9.239 -2.645 -0.240 1.00 0.00 C ATOM 0 H THR A 34 7.676 -3.775 -2.322 1.00 0.00 H new ATOM 0 HA THR A 34 10.449 -3.201 -2.494 1.00 0.00 H new ATOM 0 HB THR A 34 10.468 -4.412 -0.230 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.647 -4.420 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.078 -2.661 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.069 -1.978 -0.473 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.337 -2.288 -0.736 1.00 0.00 H new ATOM 531 N LYS A 35 9.635 -6.316 -3.041 1.00 0.00 N ATOM 532 CA LYS A 35 10.192 -7.620 -3.497 1.00 0.00 C ATOM 533 C LYS A 35 10.488 -7.538 -4.999 1.00 0.00 C ATOM 534 O LYS A 35 11.325 -8.250 -5.517 1.00 0.00 O ATOM 535 CB LYS A 35 9.170 -8.727 -3.229 1.00 0.00 C ATOM 536 CG LYS A 35 9.553 -9.984 -4.013 1.00 0.00 C ATOM 537 CD LYS A 35 9.246 -11.223 -3.173 1.00 0.00 C ATOM 538 CE LYS A 35 10.549 -11.954 -2.845 1.00 0.00 C ATOM 539 NZ LYS A 35 10.485 -13.346 -3.372 1.00 0.00 N ATOM 0 H LYS A 35 8.617 -6.260 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 35 11.112 -7.843 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.132 -8.949 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.174 -8.394 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.000 -10.022 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.613 -9.958 -4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.737 -10.935 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.572 -11.885 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.395 -11.426 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.708 -11.969 -1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.371 -13.843 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.687 -13.847 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.352 -13.321 -4.403 1.00 0.00 H new ATOM 553 N HIS A 36 9.805 -6.673 -5.698 1.00 0.00 N ATOM 554 CA HIS A 36 10.042 -6.537 -7.163 1.00 0.00 C ATOM 555 C HIS A 36 11.036 -5.402 -7.411 1.00 0.00 C ATOM 556 O HIS A 36 12.171 -5.626 -7.785 1.00 0.00 O ATOM 557 CB HIS A 36 8.721 -6.213 -7.864 1.00 0.00 C ATOM 558 CG HIS A 36 8.244 -7.419 -8.626 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.602 -7.649 -9.945 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.436 -8.468 -8.268 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.016 -8.798 -10.328 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.293 -9.339 -9.344 1.00 0.00 N ATOM 0 H HIS A 36 9.091 -6.053 -5.316 1.00 0.00 H new ATOM 0 HA HIS A 36 10.445 -7.471 -7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.972 -5.915 -7.130 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.855 -5.371 -8.543 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.980 -8.598 -7.298 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.118 -9.231 -11.312 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.753 -10.204 -9.375 1.00 0.00 H new ATOM 570 N TYR A 37 10.617 -4.182 -7.207 1.00 0.00 N ATOM 571 CA TYR A 37 11.536 -3.031 -7.433 1.00 0.00 C ATOM 572 C TYR A 37 12.456 -2.867 -6.216 1.00 0.00 C ATOM 573 O TYR A 37 11.984 -2.689 -5.110 1.00 0.00 O ATOM 574 CB TYR A 37 10.715 -1.751 -7.625 1.00 0.00 C ATOM 575 CG TYR A 37 9.792 -1.905 -8.814 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.002 -2.935 -9.741 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.725 -1.015 -8.989 1.00 0.00 C ATOM 578 CE1 TYR A 37 9.147 -3.074 -10.839 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.870 -1.155 -10.088 1.00 0.00 C ATOM 580 CZ TYR A 37 8.082 -2.185 -11.013 1.00 0.00 C ATOM 581 OH TYR A 37 7.237 -2.322 -12.095 1.00 0.00 O ATOM 0 H TYR A 37 9.679 -3.933 -6.894 1.00 0.00 H new ATOM 0 HA TYR A 37 12.137 -3.215 -8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.134 -1.543 -6.727 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.380 -0.901 -7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.825 -3.622 -9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.562 -0.221 -8.276 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.309 -3.868 -11.553 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.047 -0.469 -10.223 1.00 0.00 H new ATOM 0 HH TYR A 37 7.517 -1.711 -12.808 1.00 0.00 H new ATOM 591 N PRO A 38 13.743 -2.930 -6.451 1.00 0.00 N ATOM 592 CA PRO A 38 14.749 -2.789 -5.383 1.00 0.00 C ATOM 593 C PRO A 38 14.918 -1.315 -5.005 1.00 0.00 C ATOM 594 O PRO A 38 15.189 -0.983 -3.869 1.00 0.00 O ATOM 595 CB PRO A 38 16.028 -3.342 -6.019 1.00 0.00 C ATOM 596 CG PRO A 38 15.835 -3.237 -7.550 1.00 0.00 C ATOM 597 CD PRO A 38 14.317 -3.145 -7.795 1.00 0.00 C ATOM 0 HA PRO A 38 14.479 -3.310 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.900 -2.772 -5.697 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.195 -4.376 -5.719 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.346 -2.359 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.257 -4.106 -8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.072 -2.324 -8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.932 -4.057 -8.251 1.00 0.00 H new ATOM 605 N TYR A 39 14.759 -0.431 -5.951 1.00 0.00 N ATOM 606 CA TYR A 39 14.910 1.019 -5.650 1.00 0.00 C ATOM 607 C TYR A 39 13.867 1.440 -4.613 1.00 0.00 C ATOM 608 O TYR A 39 14.148 2.205 -3.713 1.00 0.00 O ATOM 609 CB TYR A 39 14.713 1.829 -6.931 1.00 0.00 C ATOM 610 CG TYR A 39 14.779 3.302 -6.605 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.617 3.988 -6.237 1.00 0.00 C ATOM 612 CD2 TYR A 39 16.003 3.978 -6.668 1.00 0.00 C ATOM 613 CE1 TYR A 39 13.678 5.353 -5.931 1.00 0.00 C ATOM 614 CE2 TYR A 39 16.064 5.342 -6.363 1.00 0.00 C ATOM 615 CZ TYR A 39 14.902 6.030 -5.994 1.00 0.00 C ATOM 616 OH TYR A 39 14.963 7.375 -5.692 1.00 0.00 O ATOM 0 H TYR A 39 14.531 -0.651 -6.920 1.00 0.00 H new ATOM 0 HA TYR A 39 15.908 1.204 -5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.482 1.571 -7.660 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.751 1.588 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.673 3.465 -6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.900 3.447 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.781 5.883 -5.646 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.008 5.864 -6.412 1.00 0.00 H new ATOM 0 HH TYR A 39 15.684 7.533 -5.047 1.00 0.00 H new ATOM 626 N TYR A 40 12.665 0.950 -4.734 1.00 0.00 N ATOM 627 CA TYR A 40 11.607 1.328 -3.755 1.00 0.00 C ATOM 628 C TYR A 40 11.875 0.640 -2.414 1.00 0.00 C ATOM 629 O TYR A 40 11.267 0.960 -1.411 1.00 0.00 O ATOM 630 CB TYR A 40 10.242 0.896 -4.289 1.00 0.00 C ATOM 631 CG TYR A 40 9.520 2.100 -4.839 1.00 0.00 C ATOM 632 CD1 TYR A 40 8.888 2.993 -3.966 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.483 2.327 -6.220 1.00 0.00 C ATOM 634 CE1 TYR A 40 8.219 4.112 -4.473 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.813 3.446 -6.727 1.00 0.00 C ATOM 636 CZ TYR A 40 8.180 4.339 -5.854 1.00 0.00 C ATOM 637 OH TYR A 40 7.518 5.441 -6.354 1.00 0.00 O ATOM 0 H TYR A 40 12.369 0.305 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 40 11.616 2.409 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.365 0.144 -5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.655 0.438 -3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.917 2.818 -2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.971 1.639 -6.894 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.732 4.801 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.784 3.621 -7.792 1.00 0.00 H new ATOM 0 HH TYR A 40 7.553 6.169 -5.699 1.00 0.00 H new ATOM 647 N ARG A 41 12.782 -0.298 -2.386 1.00 0.00 N ATOM 648 CA ARG A 41 13.088 -1.000 -1.107 1.00 0.00 C ATOM 649 C ARG A 41 13.643 0.007 -0.098 1.00 0.00 C ATOM 650 O ARG A 41 13.342 -0.048 1.078 1.00 0.00 O ATOM 651 CB ARG A 41 14.128 -2.093 -1.360 1.00 0.00 C ATOM 652 CG ARG A 41 13.673 -3.396 -0.700 1.00 0.00 C ATOM 653 CD ARG A 41 14.841 -4.384 -0.658 1.00 0.00 C ATOM 654 NE ARG A 41 14.314 -5.771 -0.518 1.00 0.00 N ATOM 655 CZ ARG A 41 15.108 -6.792 -0.691 1.00 0.00 C ATOM 656 NH1 ARG A 41 16.402 -6.631 -0.637 1.00 0.00 N ATOM 657 NH2 ARG A 41 14.609 -7.976 -0.917 1.00 0.00 N ATOM 0 H ARG A 41 13.324 -0.608 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 41 12.178 -1.451 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 41 14.260 -2.243 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.095 -1.789 -0.959 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.314 -3.198 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.840 -3.826 -1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.435 -4.300 -1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.501 -4.148 0.177 1.00 0.00 H new ATOM 0 HE ARG A 41 13.332 -5.922 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.794 -5.706 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.021 -7.430 -0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.598 -8.104 -0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.230 -8.774 -1.052 1.00 0.00 H new ATOM 671 N THR A 42 14.451 0.926 -0.548 1.00 0.00 N ATOM 672 CA THR A 42 15.024 1.935 0.384 1.00 0.00 C ATOM 673 C THR A 42 14.680 3.341 -0.113 1.00 0.00 C ATOM 674 O THR A 42 15.508 4.231 -0.116 1.00 0.00 O ATOM 675 CB THR A 42 16.546 1.772 0.439 1.00 0.00 C ATOM 676 OG1 THR A 42 16.950 0.804 -0.519 1.00 0.00 O ATOM 677 CG2 THR A 42 16.961 1.313 1.837 1.00 0.00 C ATOM 0 H THR A 42 14.739 1.022 -1.522 1.00 0.00 H new ATOM 0 HA THR A 42 14.606 1.789 1.380 1.00 0.00 H new ATOM 0 HB THR A 42 17.023 2.726 0.216 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.924 0.699 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.044 1.197 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.649 2.056 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.486 0.358 2.062 1.00 0.00 H new ATOM 685 N ALA A 43 13.463 3.548 -0.537 1.00 0.00 N ATOM 686 CA ALA A 43 13.064 4.894 -1.036 1.00 0.00 C ATOM 687 C ALA A 43 12.854 5.839 0.150 1.00 0.00 C ATOM 688 O ALA A 43 13.507 5.727 1.168 1.00 0.00 O ATOM 689 CB ALA A 43 11.762 4.774 -1.831 1.00 0.00 C ATOM 0 H ALA A 43 12.727 2.842 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 43 13.849 5.291 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.467 5.757 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.912 4.102 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.978 4.377 -1.187 1.00 0.00 H new ATOM 695 N ASP A 44 11.945 6.769 0.027 1.00 0.00 N ATOM 696 CA ASP A 44 11.693 7.719 1.148 1.00 0.00 C ATOM 697 C ASP A 44 10.233 7.605 1.592 1.00 0.00 C ATOM 698 O ASP A 44 9.441 6.917 0.978 1.00 0.00 O ATOM 699 CB ASP A 44 11.975 9.149 0.676 1.00 0.00 C ATOM 700 CG ASP A 44 13.475 9.323 0.438 1.00 0.00 C ATOM 701 OD1 ASP A 44 14.154 8.319 0.302 1.00 0.00 O ATOM 702 OD2 ASP A 44 13.920 10.458 0.394 1.00 0.00 O ATOM 0 H ASP A 44 11.367 6.911 -0.801 1.00 0.00 H new ATOM 0 HA ASP A 44 12.347 7.478 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.424 9.355 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.629 9.864 1.422 1.00 0.00 H new ATOM 707 N LYS A 45 9.869 8.272 2.654 1.00 0.00 N ATOM 708 CA LYS A 45 8.460 8.197 3.134 1.00 0.00 C ATOM 709 C LYS A 45 7.561 9.035 2.222 1.00 0.00 C ATOM 710 O LYS A 45 6.857 9.918 2.670 1.00 0.00 O ATOM 711 CB LYS A 45 8.382 8.739 4.564 1.00 0.00 C ATOM 712 CG LYS A 45 7.308 7.979 5.344 1.00 0.00 C ATOM 713 CD LYS A 45 7.264 8.496 6.782 1.00 0.00 C ATOM 714 CE LYS A 45 7.885 7.458 7.720 1.00 0.00 C ATOM 715 NZ LYS A 45 6.983 6.275 7.819 1.00 0.00 N ATOM 0 H LYS A 45 10.486 8.865 3.209 1.00 0.00 H new ATOM 0 HA LYS A 45 8.125 7.160 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.348 8.632 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.149 9.804 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.336 8.111 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.525 6.911 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.806 9.439 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.234 8.696 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.863 7.153 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.042 7.892 8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.151 5.785 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.993 6.589 7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.175 5.625 7.030 1.00 0.00 H new ATOM 729 N GLY A 46 7.575 8.767 0.944 1.00 0.00 N ATOM 730 CA GLY A 46 6.717 9.550 0.009 1.00 0.00 C ATOM 731 C GLY A 46 5.599 8.653 -0.526 1.00 0.00 C ATOM 732 O GLY A 46 4.438 8.848 -0.227 1.00 0.00 O ATOM 0 H GLY A 46 8.143 8.041 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.292 10.412 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.316 9.935 -0.816 1.00 0.00 H new ATOM 736 N TRP A 47 5.941 7.677 -1.320 1.00 0.00 N ATOM 737 CA TRP A 47 4.902 6.770 -1.882 1.00 0.00 C ATOM 738 C TRP A 47 4.122 6.097 -0.750 1.00 0.00 C ATOM 739 O TRP A 47 2.983 5.710 -0.921 1.00 0.00 O ATOM 740 CB TRP A 47 5.575 5.697 -2.742 1.00 0.00 C ATOM 741 CG TRP A 47 6.403 4.782 -1.890 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.351 5.170 -1.000 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.386 3.325 -1.849 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.911 4.047 -0.422 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.351 2.887 -0.912 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.634 2.349 -2.529 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.565 1.533 -0.658 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.847 0.986 -2.275 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.811 0.578 -1.342 1.00 0.00 C ATOM 0 H TRP A 47 6.898 7.468 -1.605 1.00 0.00 H new ATOM 0 HA TRP A 47 4.213 7.354 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.817 5.121 -3.274 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.204 6.169 -3.496 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.624 6.191 -0.779 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.649 4.073 0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.889 2.651 -3.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.308 1.225 0.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.264 0.245 -2.802 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.970 -0.473 -1.153 1.00 0.00 H new ATOM 760 N GLN A 48 4.715 5.953 0.400 1.00 0.00 N ATOM 761 CA GLN A 48 3.989 5.303 1.528 1.00 0.00 C ATOM 762 C GLN A 48 2.579 5.891 1.639 1.00 0.00 C ATOM 763 O GLN A 48 1.599 5.236 1.343 1.00 0.00 O ATOM 764 CB GLN A 48 4.752 5.546 2.833 1.00 0.00 C ATOM 765 CG GLN A 48 4.524 4.371 3.786 1.00 0.00 C ATOM 766 CD GLN A 48 4.914 3.061 3.096 1.00 0.00 C ATOM 767 OE1 GLN A 48 4.496 1.997 3.509 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.701 3.092 2.055 1.00 0.00 N ATOM 0 H GLN A 48 5.667 6.255 0.609 1.00 0.00 H new ATOM 0 HA GLN A 48 3.918 4.231 1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.816 5.660 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.415 6.474 3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.115 4.506 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.478 4.335 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.052 3.984 1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.965 2.224 1.589 1.00 0.00 H new ATOM 777 N ASN A 49 2.466 7.120 2.067 1.00 0.00 N ATOM 778 CA ASN A 49 1.118 7.745 2.199 1.00 0.00 C ATOM 779 C ASN A 49 0.539 8.043 0.814 1.00 0.00 C ATOM 780 O ASN A 49 -0.654 8.202 0.652 1.00 0.00 O ATOM 781 CB ASN A 49 1.235 9.052 2.985 1.00 0.00 C ATOM 782 CG ASN A 49 1.845 8.772 4.360 1.00 0.00 C ATOM 783 OD1 ASN A 49 2.452 9.642 4.955 1.00 0.00 O ATOM 784 ND2 ASN A 49 1.709 7.590 4.897 1.00 0.00 N ATOM 0 H ASN A 49 3.249 7.718 2.331 1.00 0.00 H new ATOM 0 HA ASN A 49 0.458 7.054 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.856 9.762 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.252 9.509 3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.111 7.397 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.200 6.859 4.399 1.00 0.00 H new ATOM 791 N SER A 50 1.373 8.128 -0.187 1.00 0.00 N ATOM 792 CA SER A 50 0.863 8.426 -1.557 1.00 0.00 C ATOM 793 C SER A 50 0.046 7.241 -2.076 1.00 0.00 C ATOM 794 O SER A 50 -1.025 7.408 -2.626 1.00 0.00 O ATOM 795 CB SER A 50 2.043 8.681 -2.495 1.00 0.00 C ATOM 796 OG SER A 50 1.916 9.978 -3.067 1.00 0.00 O ATOM 0 H SER A 50 2.383 8.004 -0.116 1.00 0.00 H new ATOM 0 HA SER A 50 0.228 9.311 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.982 8.603 -1.947 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.068 7.925 -3.280 1.00 0.00 H new ATOM 0 HG SER A 50 2.672 10.146 -3.668 1.00 0.00 H new ATOM 802 N ILE A 51 0.542 6.045 -1.915 1.00 0.00 N ATOM 803 CA ILE A 51 -0.209 4.856 -2.409 1.00 0.00 C ATOM 804 C ILE A 51 -1.606 4.825 -1.790 1.00 0.00 C ATOM 805 O ILE A 51 -2.596 4.885 -2.488 1.00 0.00 O ATOM 806 CB ILE A 51 0.546 3.576 -2.037 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.909 3.535 -2.749 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.283 2.359 -2.453 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.820 4.196 -4.122 1.00 0.00 C ATOM 0 H ILE A 51 1.433 5.840 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.300 4.920 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 51 0.710 3.561 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.657 4.045 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.237 2.501 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.252 1.447 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.243 2.379 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.450 2.383 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.794 4.156 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.087 3.669 -4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.514 5.236 -4.006 1.00 0.00 H new ATOM 821 N ARG A 52 -1.698 4.736 -0.491 1.00 0.00 N ATOM 822 CA ARG A 52 -3.042 4.697 0.155 1.00 0.00 C ATOM 823 C ARG A 52 -3.906 5.814 -0.433 1.00 0.00 C ATOM 824 O ARG A 52 -5.080 5.634 -0.686 1.00 0.00 O ATOM 825 CB ARG A 52 -2.878 4.897 1.668 1.00 0.00 C ATOM 826 CG ARG A 52 -4.202 5.357 2.289 1.00 0.00 C ATOM 827 CD ARG A 52 -5.283 4.305 2.039 1.00 0.00 C ATOM 828 NE ARG A 52 -6.355 4.443 3.064 1.00 0.00 N ATOM 829 CZ ARG A 52 -7.065 3.403 3.410 1.00 0.00 C ATOM 830 NH1 ARG A 52 -7.167 2.386 2.600 1.00 0.00 N ATOM 831 NH2 ARG A 52 -7.673 3.383 4.565 1.00 0.00 N ATOM 0 H ARG A 52 -0.905 4.689 0.149 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.522 3.736 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.555 3.965 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.101 5.636 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.076 5.516 3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.504 6.312 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.702 4.428 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.850 3.306 2.082 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.534 5.350 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.692 2.403 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.721 1.573 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.593 4.180 5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.228 2.571 4.835 1.00 0.00 H new ATOM 845 N HIS A 53 -3.330 6.958 -0.668 1.00 0.00 N ATOM 846 CA HIS A 53 -4.114 8.076 -1.258 1.00 0.00 C ATOM 847 C HIS A 53 -4.338 7.795 -2.745 1.00 0.00 C ATOM 848 O HIS A 53 -5.334 8.184 -3.322 1.00 0.00 O ATOM 849 CB HIS A 53 -3.333 9.382 -1.097 1.00 0.00 C ATOM 850 CG HIS A 53 -4.291 10.540 -1.036 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.654 10.386 -1.234 1.00 0.00 N ATOM 852 CD2 HIS A 53 -4.095 11.878 -0.802 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.220 11.600 -1.115 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.314 12.546 -0.851 1.00 0.00 N ATOM 0 H HIS A 53 -2.350 7.167 -0.477 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.075 8.164 -0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.731 9.347 -0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.644 9.511 -1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.139 12.342 -0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.278 11.788 -1.220 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.480 13.543 -0.715 1.00 0.00 H new ATOM 862 N ASN A 54 -3.406 7.126 -3.369 1.00 0.00 N ATOM 863 CA ASN A 54 -3.540 6.817 -4.821 1.00 0.00 C ATOM 864 C ASN A 54 -4.632 5.764 -5.041 1.00 0.00 C ATOM 865 O ASN A 54 -5.448 5.886 -5.934 1.00 0.00 O ATOM 866 CB ASN A 54 -2.203 6.290 -5.347 1.00 0.00 C ATOM 867 CG ASN A 54 -1.175 7.426 -5.343 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.469 8.524 -5.773 1.00 0.00 O ATOM 869 ND2 ASN A 54 0.025 7.210 -4.873 1.00 0.00 N ATOM 0 H ASN A 54 -2.552 6.778 -2.932 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.817 7.725 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.854 5.466 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.325 5.898 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.714 7.962 -4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.273 6.289 -4.512 1.00 0.00 H new ATOM 876 N LEU A 55 -4.657 4.729 -4.244 1.00 0.00 N ATOM 877 CA LEU A 55 -5.709 3.679 -4.433 1.00 0.00 C ATOM 878 C LEU A 55 -7.083 4.298 -4.171 1.00 0.00 C ATOM 879 O LEU A 55 -8.100 3.762 -4.563 1.00 0.00 O ATOM 880 CB LEU A 55 -5.509 2.486 -3.475 1.00 0.00 C ATOM 881 CG LEU A 55 -4.092 2.471 -2.894 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.922 1.256 -1.983 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.075 2.409 -4.034 1.00 0.00 C ATOM 0 H LEU A 55 -4.004 4.563 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.635 3.309 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.236 2.541 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.696 1.554 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.928 3.379 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.913 1.248 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.645 1.307 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.086 0.345 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.066 2.398 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.238 1.503 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.195 3.281 -4.676 1.00 0.00 H new ATOM 895 N SER A 56 -7.122 5.424 -3.513 1.00 0.00 N ATOM 896 CA SER A 56 -8.432 6.074 -3.229 1.00 0.00 C ATOM 897 C SER A 56 -8.796 7.004 -4.387 1.00 0.00 C ATOM 898 O SER A 56 -9.926 7.045 -4.832 1.00 0.00 O ATOM 899 CB SER A 56 -8.331 6.882 -1.934 1.00 0.00 C ATOM 900 OG SER A 56 -9.588 6.862 -1.269 1.00 0.00 O ATOM 0 H SER A 56 -6.304 5.921 -3.160 1.00 0.00 H new ATOM 0 HA SER A 56 -9.203 5.311 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.559 6.463 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.039 7.909 -2.154 1.00 0.00 H new ATOM 0 HG SER A 56 -9.527 7.377 -0.438 1.00 0.00 H new ATOM 906 N LEU A 57 -7.847 7.751 -4.881 1.00 0.00 N ATOM 907 CA LEU A 57 -8.139 8.671 -6.010 1.00 0.00 C ATOM 908 C LEU A 57 -7.951 7.923 -7.333 1.00 0.00 C ATOM 909 O LEU A 57 -8.506 8.290 -8.349 1.00 0.00 O ATOM 910 CB LEU A 57 -7.181 9.863 -5.950 1.00 0.00 C ATOM 911 CG LEU A 57 -5.748 9.386 -6.192 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.366 9.634 -7.652 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.794 10.161 -5.279 1.00 0.00 C ATOM 0 H LEU A 57 -6.882 7.762 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.166 9.028 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.459 10.604 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.253 10.351 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.678 8.320 -5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.345 9.294 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.046 9.085 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.435 10.700 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.772 9.823 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.865 11.226 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.065 9.986 -4.238 1.00 0.00 H new ATOM 925 N ASN A 58 -7.173 6.875 -7.327 1.00 0.00 N ATOM 926 CA ASN A 58 -6.951 6.104 -8.586 1.00 0.00 C ATOM 927 C ASN A 58 -8.298 5.817 -9.251 1.00 0.00 C ATOM 928 O ASN A 58 -9.309 5.670 -8.593 1.00 0.00 O ATOM 929 CB ASN A 58 -6.247 4.778 -8.277 1.00 0.00 C ATOM 930 CG ASN A 58 -4.754 4.916 -8.585 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.180 4.081 -9.253 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.098 5.948 -8.128 1.00 0.00 N ATOM 0 H ASN A 58 -6.682 6.519 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.325 6.693 -9.256 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.391 4.511 -7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.681 3.975 -8.873 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.104 6.052 -8.332 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.579 6.650 -7.566 1.00 0.00 H new ATOM 939 N ARG A 59 -8.320 5.738 -10.554 1.00 0.00 N ATOM 940 CA ARG A 59 -9.601 5.465 -11.262 1.00 0.00 C ATOM 941 C ARG A 59 -9.789 3.956 -11.439 1.00 0.00 C ATOM 942 O ARG A 59 -10.899 3.466 -11.496 1.00 0.00 O ATOM 943 CB ARG A 59 -9.579 6.137 -12.636 1.00 0.00 C ATOM 944 CG ARG A 59 -10.837 5.750 -13.415 1.00 0.00 C ATOM 945 CD ARG A 59 -11.325 6.950 -14.230 1.00 0.00 C ATOM 946 NE ARG A 59 -12.695 7.329 -13.782 1.00 0.00 N ATOM 947 CZ ARG A 59 -12.858 8.328 -12.957 1.00 0.00 C ATOM 948 NH1 ARG A 59 -12.147 9.414 -13.097 1.00 0.00 N ATOM 949 NH2 ARG A 59 -13.731 8.240 -11.991 1.00 0.00 N ATOM 0 H ARG A 59 -7.506 5.851 -11.158 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.426 5.863 -10.671 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.528 7.220 -12.522 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.689 5.832 -13.187 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.623 4.911 -14.077 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.617 5.423 -12.727 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.643 7.791 -14.103 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.333 6.703 -15.292 1.00 0.00 H new ATOM 0 HE ARG A 59 -13.505 6.808 -14.120 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.464 9.483 -13.851 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.275 10.194 -12.452 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.286 7.391 -11.881 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.859 9.020 -11.346 1.00 0.00 H new ATOM 963 N TYR A 60 -8.717 3.213 -11.535 1.00 0.00 N ATOM 964 CA TYR A 60 -8.860 1.739 -11.719 1.00 0.00 C ATOM 965 C TYR A 60 -8.468 1.000 -10.436 1.00 0.00 C ATOM 966 O TYR A 60 -8.050 -0.140 -10.472 1.00 0.00 O ATOM 967 CB TYR A 60 -7.969 1.267 -12.867 1.00 0.00 C ATOM 968 CG TYR A 60 -6.600 1.905 -12.774 1.00 0.00 C ATOM 969 CD1 TYR A 60 -5.806 1.732 -11.633 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.121 2.666 -13.845 1.00 0.00 C ATOM 971 CE1 TYR A 60 -4.538 2.323 -11.571 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.857 3.256 -13.781 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.064 3.085 -12.643 1.00 0.00 C ATOM 974 OH TYR A 60 -2.814 3.665 -12.580 1.00 0.00 O ATOM 0 H TYR A 60 -7.758 3.559 -11.494 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.902 1.520 -11.953 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.873 0.182 -12.838 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.431 1.521 -13.821 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.171 1.144 -10.803 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.732 2.798 -14.726 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.924 2.190 -10.692 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.492 3.844 -14.610 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.640 4.159 -13.409 1.00 0.00 H new ATOM 984 N PHE A 61 -8.611 1.631 -9.307 1.00 0.00 N ATOM 985 CA PHE A 61 -8.259 0.955 -8.026 1.00 0.00 C ATOM 986 C PHE A 61 -9.436 1.086 -7.058 1.00 0.00 C ATOM 987 O PHE A 61 -10.126 2.085 -7.040 1.00 0.00 O ATOM 988 CB PHE A 61 -7.027 1.623 -7.414 1.00 0.00 C ATOM 989 CG PHE A 61 -5.752 1.157 -8.096 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.713 -0.020 -8.870 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.593 1.920 -7.946 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.515 -0.414 -9.479 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.404 1.525 -8.555 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.365 0.360 -9.320 1.00 0.00 C ATOM 0 H PHE A 61 -8.956 2.586 -9.213 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.043 -0.097 -8.213 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.115 2.706 -7.504 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.977 1.394 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.605 -0.617 -8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.618 2.823 -7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.481 -1.316 -10.071 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.512 2.122 -8.434 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.442 0.056 -9.791 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.674 0.084 -6.256 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.815 0.155 -5.296 1.00 0.00 C ATOM 1006 C ILE A 62 -10.594 -0.841 -4.155 1.00 0.00 C ATOM 1007 O ILE A 62 -9.807 -1.759 -4.262 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.115 -0.193 -6.024 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.053 -1.644 -6.509 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.296 0.735 -7.226 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.219 -1.910 -7.463 1.00 0.00 C ATOM 0 H ILE A 62 -9.130 -0.778 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.879 1.164 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.956 -0.070 -5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.105 -1.830 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.101 -2.325 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.223 0.485 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.339 1.769 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.456 0.613 -7.909 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.177 -2.943 -7.810 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.161 -1.740 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.151 -1.237 -8.318 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.289 -0.667 -3.064 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.126 -1.602 -1.915 1.00 0.00 C ATOM 1025 C LYS A 63 -12.342 -2.527 -1.841 1.00 0.00 C ATOM 1026 O LYS A 63 -13.425 -2.176 -2.264 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.012 -0.800 -0.617 1.00 0.00 C ATOM 1028 CG LYS A 63 -10.283 0.516 -0.895 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.530 0.962 0.359 1.00 0.00 C ATOM 1030 CE LYS A 63 -10.531 1.425 1.419 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.552 2.914 1.466 1.00 0.00 N ATOM 0 H LYS A 63 -11.964 0.084 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.223 -2.197 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.004 -0.600 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.471 -1.377 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.586 0.389 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.998 1.283 -1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.929 0.140 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.843 1.772 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.525 1.044 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.256 1.024 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.232 3.229 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.604 3.267 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.834 3.287 0.537 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.175 -3.705 -1.309 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.326 -4.645 -1.214 1.00 0.00 C ATOM 1047 C VAL A 64 -14.432 -4.011 -0.361 1.00 0.00 C ATOM 1048 O VAL A 64 -14.154 -3.416 0.661 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.867 -5.947 -0.560 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -11.759 -6.581 -1.404 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.330 -5.649 0.842 1.00 0.00 C ATOM 0 H VAL A 64 -11.293 -4.057 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.708 -4.854 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.709 -6.635 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.432 -7.510 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.139 -6.792 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.916 -5.894 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.002 -6.577 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.488 -4.961 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -13.118 -5.197 1.445 1.00 0.00 H new ATOM 1061 N PRO A 65 -15.657 -4.161 -0.804 1.00 0.00 N ATOM 1062 CA PRO A 65 -16.828 -3.616 -0.094 1.00 0.00 C ATOM 1063 C PRO A 65 -17.191 -4.515 1.091 1.00 0.00 C ATOM 1064 O PRO A 65 -16.839 -4.241 2.221 1.00 0.00 O ATOM 1065 CB PRO A 65 -17.932 -3.637 -1.154 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.509 -4.693 -2.203 1.00 0.00 C ATOM 1067 CD PRO A 65 -15.988 -4.883 -2.049 1.00 0.00 C ATOM 0 HA PRO A 65 -16.660 -2.620 0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.893 -3.895 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.047 -2.656 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.035 -5.633 -2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.758 -4.359 -3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.723 -5.938 -1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.447 -4.474 -2.902 1.00 0.00 H new ATOM 1075 N ARG A 66 -17.888 -5.589 0.839 1.00 0.00 N ATOM 1076 CA ARG A 66 -18.269 -6.508 1.948 1.00 0.00 C ATOM 1077 C ARG A 66 -17.317 -7.707 1.957 1.00 0.00 C ATOM 1078 O ARG A 66 -17.124 -8.365 0.955 1.00 0.00 O ATOM 1079 CB ARG A 66 -19.703 -6.998 1.735 1.00 0.00 C ATOM 1080 CG ARG A 66 -20.687 -5.931 2.218 1.00 0.00 C ATOM 1081 CD ARG A 66 -22.119 -6.419 1.994 1.00 0.00 C ATOM 1082 NE ARG A 66 -22.790 -5.549 0.987 1.00 0.00 N ATOM 1083 CZ ARG A 66 -23.435 -4.484 1.372 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -24.647 -4.590 1.846 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -22.871 -3.311 1.282 1.00 0.00 N ATOM 0 H ARG A 66 -18.210 -5.870 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 66 -18.204 -5.980 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.872 -7.212 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.865 -7.929 2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -20.524 -5.723 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.521 -4.998 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -22.112 -7.453 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -22.672 -6.399 2.933 1.00 0.00 H new ATOM 0 HE ARG A 66 -22.744 -5.787 -0.004 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -25.089 -5.507 1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -25.152 -3.756 2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.925 -3.227 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -23.376 -2.478 1.583 1.00 0.00 H new ATOM 1099 N SER A 67 -16.718 -7.996 3.080 1.00 0.00 N ATOM 1100 CA SER A 67 -15.778 -9.150 3.145 1.00 0.00 C ATOM 1101 C SER A 67 -15.923 -9.854 4.499 1.00 0.00 C ATOM 1102 O SER A 67 -15.646 -9.283 5.534 1.00 0.00 O ATOM 1103 CB SER A 67 -14.345 -8.644 2.988 1.00 0.00 C ATOM 1104 OG SER A 67 -13.766 -8.467 4.275 1.00 0.00 O ATOM 0 H SER A 67 -16.839 -7.484 3.954 1.00 0.00 H new ATOM 0 HA SER A 67 -16.009 -9.853 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.758 -9.355 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.338 -7.702 2.440 1.00 0.00 H new ATOM 0 HG SER A 67 -14.467 -8.235 4.920 1.00 0.00 H new ATOM 1110 N GLN A 68 -16.351 -11.090 4.504 1.00 0.00 N ATOM 1111 CA GLN A 68 -16.506 -11.816 5.797 1.00 0.00 C ATOM 1112 C GLN A 68 -15.213 -12.571 6.114 1.00 0.00 C ATOM 1113 O GLN A 68 -15.214 -13.545 6.842 1.00 0.00 O ATOM 1114 CB GLN A 68 -17.663 -12.811 5.687 1.00 0.00 C ATOM 1115 CG GLN A 68 -17.394 -13.783 4.536 1.00 0.00 C ATOM 1116 CD GLN A 68 -18.468 -13.612 3.462 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -19.577 -13.210 3.752 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -18.185 -13.903 2.221 1.00 0.00 N ATOM 0 H GLN A 68 -16.599 -11.625 3.672 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.715 -11.102 6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.774 -13.360 6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.599 -12.279 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.407 -13.596 4.112 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.394 -14.809 4.905 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.254 -14.241 1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.895 -13.793 1.497 1.00 0.00 H new ATOM 1127 N GLU A 69 -14.108 -12.130 5.576 1.00 0.00 N ATOM 1128 CA GLU A 69 -12.818 -12.824 5.849 1.00 0.00 C ATOM 1129 C GLU A 69 -12.299 -12.403 7.225 1.00 0.00 C ATOM 1130 O GLU A 69 -11.688 -13.176 7.935 1.00 0.00 O ATOM 1131 CB GLU A 69 -11.795 -12.439 4.777 1.00 0.00 C ATOM 1132 CG GLU A 69 -12.079 -13.221 3.494 1.00 0.00 C ATOM 1133 CD GLU A 69 -11.079 -12.807 2.412 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -11.215 -11.708 1.898 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -10.196 -13.594 2.116 1.00 0.00 O ATOM 0 H GLU A 69 -14.043 -11.320 4.960 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.972 -13.903 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.844 -11.368 4.581 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.786 -12.652 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.003 -14.292 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.097 -13.028 3.156 1.00 0.00 H new ATOM 1142 N GLU A 70 -12.541 -11.179 7.604 1.00 0.00 N ATOM 1143 CA GLU A 70 -12.067 -10.697 8.931 1.00 0.00 C ATOM 1144 C GLU A 70 -12.502 -9.242 9.123 1.00 0.00 C ATOM 1145 O GLU A 70 -11.754 -8.330 8.829 1.00 0.00 O ATOM 1146 CB GLU A 70 -10.540 -10.788 8.996 1.00 0.00 C ATOM 1147 CG GLU A 70 -10.063 -10.411 10.400 1.00 0.00 C ATOM 1148 CD GLU A 70 -9.121 -11.494 10.927 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -9.613 -12.450 11.503 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -7.924 -11.349 10.746 1.00 0.00 O ATOM 0 H GLU A 70 -13.049 -10.489 7.050 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.497 -11.315 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.215 -11.799 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.094 -10.121 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.551 -9.449 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.917 -10.300 11.068 1.00 0.00 H new ATOM 1157 N PRO A 71 -13.706 -9.072 9.608 1.00 0.00 N ATOM 1158 CA PRO A 71 -14.283 -7.738 9.852 1.00 0.00 C ATOM 1159 C PRO A 71 -13.704 -7.127 11.131 1.00 0.00 C ATOM 1160 O PRO A 71 -13.896 -5.962 11.415 1.00 0.00 O ATOM 1161 CB PRO A 71 -15.781 -8.019 10.008 1.00 0.00 C ATOM 1162 CG PRO A 71 -15.906 -9.508 10.407 1.00 0.00 C ATOM 1163 CD PRO A 71 -14.600 -10.193 9.962 1.00 0.00 C ATOM 0 HA PRO A 71 -14.068 -7.026 9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.220 -7.375 10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.313 -7.820 9.077 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.050 -9.610 11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.769 -9.968 9.924 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.178 -10.802 10.761 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.767 -10.854 9.111 1.00 0.00 H new ATOM 1171 N GLY A 72 -12.996 -7.903 11.903 1.00 0.00 N ATOM 1172 CA GLY A 72 -12.406 -7.364 13.161 1.00 0.00 C ATOM 1173 C GLY A 72 -11.260 -6.411 12.815 1.00 0.00 C ATOM 1174 O GLY A 72 -11.464 -5.232 12.600 1.00 0.00 O ATOM 0 H GLY A 72 -12.800 -8.887 11.718 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.168 -6.840 13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.040 -8.180 13.783 1.00 0.00 H new ATOM 1178 N LYS A 73 -10.058 -6.913 12.759 1.00 0.00 N ATOM 1179 CA LYS A 73 -8.898 -6.039 12.425 1.00 0.00 C ATOM 1180 C LYS A 73 -8.245 -6.529 11.131 1.00 0.00 C ATOM 1181 O LYS A 73 -7.200 -7.149 11.151 1.00 0.00 O ATOM 1182 CB LYS A 73 -7.877 -6.094 13.563 1.00 0.00 C ATOM 1183 CG LYS A 73 -8.344 -5.200 14.715 1.00 0.00 C ATOM 1184 CD LYS A 73 -7.898 -3.759 14.457 1.00 0.00 C ATOM 1185 CE LYS A 73 -8.002 -2.952 15.752 1.00 0.00 C ATOM 1186 NZ LYS A 73 -9.431 -2.858 16.166 1.00 0.00 N ATOM 0 H LYS A 73 -9.828 -7.892 12.930 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.242 -5.013 12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.759 -7.120 13.910 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.901 -5.765 13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.429 -5.245 14.807 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.929 -5.557 15.658 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.872 -3.745 14.089 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.520 -3.308 13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.415 -3.428 16.538 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.588 -1.954 15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.525 -2.162 16.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.009 -2.560 15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.757 -3.787 16.500 1.00 0.00 H new ATOM 1200 N GLY A 74 -8.850 -6.259 10.006 1.00 0.00 N ATOM 1201 CA GLY A 74 -8.257 -6.713 8.716 1.00 0.00 C ATOM 1202 C GLY A 74 -8.717 -5.792 7.583 1.00 0.00 C ATOM 1203 O GLY A 74 -9.647 -5.025 7.731 1.00 0.00 O ATOM 0 H GLY A 74 -9.727 -5.745 9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.169 -6.707 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.558 -7.740 8.508 1.00 0.00 H new ATOM 1207 N SER A 75 -8.071 -5.866 6.451 1.00 0.00 N ATOM 1208 CA SER A 75 -8.466 -5.000 5.305 1.00 0.00 C ATOM 1209 C SER A 75 -7.805 -5.520 4.027 1.00 0.00 C ATOM 1210 O SER A 75 -6.731 -6.088 4.061 1.00 0.00 O ATOM 1211 CB SER A 75 -8.008 -3.564 5.568 1.00 0.00 C ATOM 1212 OG SER A 75 -8.784 -3.008 6.622 1.00 0.00 O ATOM 0 H SER A 75 -7.285 -6.491 6.271 1.00 0.00 H new ATOM 0 HA SER A 75 -9.550 -5.019 5.190 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.951 -3.550 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.118 -2.964 4.665 1.00 0.00 H new ATOM 0 HG SER A 75 -9.520 -3.617 6.843 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.434 -5.332 2.899 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.835 -5.821 1.625 1.00 0.00 C ATOM 1220 C PHE A 76 -8.387 -5.005 0.454 1.00 0.00 C ATOM 1221 O PHE A 76 -9.567 -5.035 0.166 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.191 -7.295 1.425 1.00 0.00 C ATOM 1223 CG PHE A 76 -6.928 -8.095 1.213 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -5.852 -7.536 0.513 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.836 -9.399 1.714 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -4.683 -8.281 0.316 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.667 -10.143 1.517 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.590 -9.585 0.818 1.00 0.00 C ATOM 0 H PHE A 76 -9.334 -4.862 2.805 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.752 -5.710 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.730 -7.671 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.853 -7.407 0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.924 -6.531 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.667 -9.831 2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.853 -7.850 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.596 -11.149 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.688 -10.160 0.666 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.543 -4.278 -0.224 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.023 -3.467 -1.376 1.00 0.00 C ATOM 1240 C TRP A 77 -7.401 -4.009 -2.672 1.00 0.00 C ATOM 1241 O TRP A 77 -6.240 -4.364 -2.710 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.631 -1.993 -1.160 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.281 -1.718 -1.742 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.109 -1.818 -1.076 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -5.953 -1.301 -3.094 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -4.081 -1.481 -1.936 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -4.553 -1.156 -3.192 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.729 -1.034 -4.235 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -3.941 -0.759 -4.377 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -6.117 -0.636 -5.433 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.724 -0.498 -5.504 1.00 0.00 C ATOM 0 H TRP A 77 -6.544 -4.211 -0.030 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.108 -3.532 -1.454 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.372 -1.342 -1.623 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.627 -1.764 -0.094 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.995 -2.112 -0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -3.095 -1.473 -1.675 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.803 -1.136 -4.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.867 -0.653 -4.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.722 -0.435 -6.305 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -4.257 -0.191 -6.428 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.161 -4.078 -3.731 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.599 -4.597 -5.012 1.00 0.00 C ATOM 1264 C ARG A 78 -7.795 -3.566 -6.121 1.00 0.00 C ATOM 1265 O ARG A 78 -8.329 -2.496 -5.907 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.312 -5.893 -5.402 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.753 -5.584 -5.814 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.513 -6.894 -6.040 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.935 -6.723 -5.626 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.763 -7.731 -5.700 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.383 -8.916 -5.307 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.969 -7.553 -6.164 1.00 0.00 N ATOM 0 H ARG A 78 -9.142 -3.799 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.535 -4.790 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.784 -6.377 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.304 -6.590 -4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.245 -4.995 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.761 -4.985 -6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.461 -7.180 -7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.051 -7.698 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.262 -5.819 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.440 -9.055 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.029 -9.704 -5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.266 -6.626 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.615 -8.340 -6.221 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.365 -3.885 -7.308 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.521 -2.932 -8.444 1.00 0.00 C ATOM 1288 C ILE A 79 -8.847 -3.202 -9.153 1.00 0.00 C ATOM 1289 O ILE A 79 -9.485 -4.212 -8.929 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.370 -3.121 -9.432 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.519 -4.471 -10.139 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.042 -3.090 -8.679 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.213 -4.814 -10.863 1.00 0.00 C ATOM 0 H ILE A 79 -6.910 -4.767 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.510 -1.910 -8.065 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.391 -2.318 -10.169 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.761 -5.249 -9.414 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.343 -4.432 -10.851 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.221 -3.225 -9.383 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.933 -2.130 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.023 -3.893 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.318 -5.775 -11.367 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.991 -4.041 -11.599 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.400 -4.870 -10.139 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.267 -2.312 -10.011 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.554 -2.538 -10.730 1.00 0.00 C ATOM 1307 C ASP A 80 -10.456 -3.849 -11.521 1.00 0.00 C ATOM 1308 O ASP A 80 -9.399 -4.197 -12.010 1.00 0.00 O ATOM 1309 CB ASP A 80 -10.823 -1.375 -11.687 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.236 -0.835 -11.457 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -12.403 -0.029 -10.557 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.128 -1.236 -12.188 1.00 0.00 O ATOM 0 H ASP A 80 -8.780 -1.446 -10.244 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.372 -2.600 -10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.090 -0.584 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.714 -1.708 -12.719 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.561 -4.549 -11.602 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.635 -5.844 -12.305 1.00 0.00 C ATOM 1319 C PRO A 81 -11.691 -5.657 -13.825 1.00 0.00 C ATOM 1320 O PRO A 81 -11.007 -6.337 -14.565 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.936 -6.460 -11.785 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.802 -5.284 -11.274 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.839 -4.113 -11.004 1.00 0.00 C ATOM 0 HA PRO A 81 -10.761 -6.468 -12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.450 -7.006 -12.576 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.736 -7.172 -10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.553 -5.006 -12.014 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.337 -5.563 -10.366 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.197 -3.190 -11.459 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.734 -3.922 -9.936 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.503 -4.756 -14.302 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.597 -4.554 -15.777 1.00 0.00 C ATOM 1333 C ALA A 82 -11.567 -3.520 -16.227 1.00 0.00 C ATOM 1334 O ALA A 82 -11.598 -3.047 -17.345 1.00 0.00 O ATOM 1335 CB ALA A 82 -14.000 -4.069 -16.141 1.00 0.00 C ATOM 0 H ALA A 82 -13.103 -4.153 -13.739 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.398 -5.501 -16.280 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.066 -3.922 -17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.734 -4.813 -15.830 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.202 -3.126 -15.633 1.00 0.00 H new ATOM 1341 N SER A 83 -10.645 -3.178 -15.374 1.00 0.00 N ATOM 1342 CA SER A 83 -9.607 -2.190 -15.763 1.00 0.00 C ATOM 1343 C SER A 83 -8.234 -2.835 -15.603 1.00 0.00 C ATOM 1344 O SER A 83 -7.233 -2.278 -15.995 1.00 0.00 O ATOM 1345 CB SER A 83 -9.698 -0.958 -14.863 1.00 0.00 C ATOM 1346 OG SER A 83 -11.059 -0.715 -14.530 1.00 0.00 O ATOM 0 H SER A 83 -10.566 -3.541 -14.424 1.00 0.00 H new ATOM 0 HA SER A 83 -9.760 -1.884 -16.798 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.112 -1.112 -13.957 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.276 -0.091 -15.371 1.00 0.00 H new ATOM 0 HG SER A 83 -11.118 0.074 -13.951 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.179 -4.010 -15.029 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.866 -4.685 -14.837 1.00 0.00 C ATOM 1354 C GLU A 84 -6.186 -4.845 -16.188 1.00 0.00 C ATOM 1355 O GLU A 84 -4.989 -4.690 -16.305 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.084 -6.061 -14.204 1.00 0.00 C ATOM 1357 CG GLU A 84 -7.800 -6.973 -15.202 1.00 0.00 C ATOM 1358 CD GLU A 84 -8.033 -8.345 -14.567 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -8.835 -8.423 -13.651 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -7.407 -9.294 -15.009 1.00 0.00 O ATOM 0 H GLU A 84 -8.988 -4.528 -14.686 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.237 -4.085 -14.179 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.127 -6.497 -13.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.675 -5.965 -13.294 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.752 -6.531 -15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.203 -7.077 -16.108 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.931 -5.123 -17.216 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.299 -5.251 -18.554 1.00 0.00 C ATOM 1369 C ALA A 85 -5.978 -3.845 -19.058 1.00 0.00 C ATOM 1370 O ALA A 85 -5.173 -3.656 -19.949 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.266 -5.941 -19.518 1.00 0.00 C ATOM 0 H ALA A 85 -7.941 -5.266 -17.190 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.389 -5.848 -18.490 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.799 -6.033 -20.498 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.512 -6.933 -19.139 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.177 -5.349 -19.605 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.603 -2.854 -18.479 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.344 -1.454 -18.902 1.00 0.00 C ATOM 1379 C LYS A 86 -5.246 -0.847 -18.025 1.00 0.00 C ATOM 1380 O LYS A 86 -4.269 -0.329 -18.522 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.626 -0.629 -18.759 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.627 0.495 -19.796 1.00 0.00 C ATOM 1383 CD LYS A 86 -8.206 1.765 -19.172 1.00 0.00 C ATOM 1384 CE LYS A 86 -7.237 2.303 -18.117 1.00 0.00 C ATOM 1385 NZ LYS A 86 -8.007 2.797 -16.940 1.00 0.00 N ATOM 0 H LYS A 86 -7.285 -2.959 -17.728 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.022 -1.446 -19.943 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.499 -1.267 -18.897 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.692 -0.211 -17.754 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.612 0.680 -20.148 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.217 0.202 -20.664 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.375 2.517 -19.943 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.173 1.551 -18.717 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.546 1.519 -17.809 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.637 3.110 -18.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.449 3.516 -16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.902 3.217 -17.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.208 2.003 -16.299 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.389 -0.903 -16.726 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.335 -0.315 -15.850 1.00 0.00 C ATOM 1401 C LEU A 87 -2.993 -0.930 -16.193 1.00 0.00 C ATOM 1402 O LEU A 87 -2.030 -0.246 -16.475 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.638 -0.586 -14.373 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.287 -1.960 -14.183 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.426 -2.812 -13.256 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.663 -1.781 -13.541 1.00 0.00 C ATOM 0 H LEU A 87 -6.180 -1.325 -16.240 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.314 0.762 -16.016 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.716 -0.534 -13.794 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.301 0.189 -13.987 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.382 -2.449 -15.153 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.891 -3.789 -13.123 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.435 -2.938 -13.693 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.335 -2.319 -12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.130 -2.756 -13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.552 -1.292 -12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.289 -1.167 -14.188 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.929 -2.219 -16.164 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.664 -2.913 -16.478 1.00 0.00 C ATOM 1420 C VAL A 88 -0.972 -2.254 -17.672 1.00 0.00 C ATOM 1421 O VAL A 88 0.240 -2.232 -17.763 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.991 -4.340 -16.842 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.499 -5.092 -15.610 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.067 -4.335 -17.928 1.00 0.00 C ATOM 0 H VAL A 88 -3.711 -2.832 -15.933 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.001 -2.865 -15.614 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.095 -4.841 -17.210 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.733 -6.121 -15.883 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.730 -5.087 -14.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.397 -4.604 -15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.313 -5.361 -18.201 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.960 -3.835 -17.553 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.696 -3.805 -18.805 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.722 -1.724 -18.598 1.00 0.00 N ATOM 1435 CA GLU A 89 -1.078 -1.087 -19.781 1.00 0.00 C ATOM 1436 C GLU A 89 -0.084 -0.037 -19.283 1.00 0.00 C ATOM 1437 O GLU A 89 1.000 0.109 -19.813 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.151 -0.447 -20.679 1.00 0.00 C ATOM 1439 CG GLU A 89 -2.433 0.998 -20.251 1.00 0.00 C ATOM 1440 CD GLU A 89 -3.400 1.643 -21.246 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -3.036 1.756 -22.405 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -4.487 2.011 -20.833 1.00 0.00 O ATOM 0 H GLU A 89 -2.742 -1.704 -18.588 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.548 -1.833 -20.373 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.820 -0.465 -21.717 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.070 -1.031 -20.628 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.860 1.015 -19.248 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.503 1.565 -20.211 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.436 0.675 -18.250 1.00 0.00 N ATOM 1450 CA GLN A 90 0.500 1.691 -17.698 1.00 0.00 C ATOM 1451 C GLN A 90 1.443 0.998 -16.714 1.00 0.00 C ATOM 1452 O GLN A 90 2.469 1.530 -16.340 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.290 2.781 -16.971 1.00 0.00 C ATOM 1454 CG GLN A 90 0.345 4.142 -17.255 1.00 0.00 C ATOM 1455 CD GLN A 90 -0.369 4.802 -18.436 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -0.591 4.175 -19.454 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -0.738 6.049 -18.345 1.00 0.00 N ATOM 0 H GLN A 90 -1.330 0.597 -17.765 1.00 0.00 H new ATOM 0 HA GLN A 90 1.071 2.149 -18.506 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.328 2.775 -17.302 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.297 2.587 -15.898 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.276 4.779 -16.373 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.405 4.021 -17.479 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.552 6.575 -17.491 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.213 6.499 -19.128 1.00 0.00 H new ATOM 1466 N ALA A 91 1.101 -0.193 -16.292 1.00 0.00 N ATOM 1467 CA ALA A 91 1.975 -0.925 -15.335 1.00 0.00 C ATOM 1468 C ALA A 91 3.339 -1.171 -15.984 1.00 0.00 C ATOM 1469 O ALA A 91 4.212 -0.328 -15.945 1.00 0.00 O ATOM 1470 CB ALA A 91 1.334 -2.261 -14.957 1.00 0.00 C ATOM 0 H ALA A 91 0.254 -0.688 -16.571 1.00 0.00 H new ATOM 0 HA ALA A 91 2.102 -0.328 -14.432 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.981 -2.790 -14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.365 -2.081 -14.491 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.199 -2.866 -15.853 1.00 0.00 H new ATOM 1476 N PHE A 92 3.531 -2.317 -16.583 1.00 0.00 N ATOM 1477 CA PHE A 92 4.846 -2.601 -17.235 1.00 0.00 C ATOM 1478 C PHE A 92 5.088 -1.590 -18.359 1.00 0.00 C ATOM 1479 O PHE A 92 4.937 -1.893 -19.525 1.00 0.00 O ATOM 1480 CB PHE A 92 4.859 -4.021 -17.819 1.00 0.00 C ATOM 1481 CG PHE A 92 3.466 -4.426 -18.244 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.941 -3.972 -19.459 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.700 -5.256 -17.417 1.00 0.00 C ATOM 1484 CE1 PHE A 92 1.651 -4.348 -19.849 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.410 -5.633 -17.806 1.00 0.00 C ATOM 1486 CZ PHE A 92 0.884 -5.179 -19.023 1.00 0.00 C ATOM 0 H PHE A 92 2.840 -3.065 -16.650 1.00 0.00 H new ATOM 0 HA PHE A 92 5.633 -2.519 -16.486 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.534 -4.064 -18.674 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.239 -4.723 -17.077 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.532 -3.331 -20.096 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.105 -5.605 -16.479 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.247 -3.997 -20.787 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.819 -6.274 -17.168 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.112 -5.470 -19.324 1.00 0.00 H new ATOM 1496 N ARG A 93 5.467 -0.388 -18.017 1.00 0.00 N ATOM 1497 CA ARG A 93 5.724 0.642 -19.064 1.00 0.00 C ATOM 1498 C ARG A 93 6.758 1.644 -18.544 1.00 0.00 C ATOM 1499 O ARG A 93 6.420 2.663 -17.975 1.00 0.00 O ATOM 1500 CB ARG A 93 4.422 1.376 -19.391 1.00 0.00 C ATOM 1501 CG ARG A 93 4.384 1.708 -20.885 1.00 0.00 C ATOM 1502 CD ARG A 93 4.198 3.215 -21.071 1.00 0.00 C ATOM 1503 NE ARG A 93 4.766 3.629 -22.385 1.00 0.00 N ATOM 1504 CZ ARG A 93 6.029 3.946 -22.479 1.00 0.00 C ATOM 1505 NH1 ARG A 93 6.470 5.042 -21.926 1.00 0.00 N ATOM 1506 NH2 ARG A 93 6.851 3.167 -23.128 1.00 0.00 N ATOM 0 H ARG A 93 5.610 -0.075 -17.057 1.00 0.00 H new ATOM 0 HA ARG A 93 6.103 0.159 -19.965 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.566 0.757 -19.123 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.350 2.291 -18.802 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.308 1.384 -21.364 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.569 1.168 -21.367 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.139 3.470 -21.024 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.692 3.755 -20.263 1.00 0.00 H new ATOM 0 HE ARG A 93 4.168 3.665 -23.211 1.00 0.00 H new ATOM 0 HH11 ARG A 93 5.828 5.652 -21.420 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.457 5.289 -22.000 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.507 2.310 -23.562 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.838 3.415 -23.201 1.00 0.00 H new ATOM 1520 N LYS A 94 8.018 1.360 -18.732 1.00 0.00 N ATOM 1521 CA LYS A 94 9.074 2.293 -18.246 1.00 0.00 C ATOM 1522 C LYS A 94 8.925 3.650 -18.938 1.00 0.00 C ATOM 1523 O LYS A 94 9.361 3.838 -20.056 1.00 0.00 O ATOM 1524 CB LYS A 94 10.453 1.708 -18.561 1.00 0.00 C ATOM 1525 CG LYS A 94 10.540 0.282 -18.014 1.00 0.00 C ATOM 1526 CD LYS A 94 11.322 -0.595 -18.993 1.00 0.00 C ATOM 1527 CE LYS A 94 10.358 -1.530 -19.725 1.00 0.00 C ATOM 1528 NZ LYS A 94 10.720 -2.945 -19.431 1.00 0.00 N ATOM 0 H LYS A 94 8.362 0.522 -19.201 1.00 0.00 H new ATOM 0 HA LYS A 94 8.970 2.426 -17.169 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.622 1.707 -19.638 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.232 2.327 -18.117 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.030 0.284 -17.040 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.539 -0.123 -17.866 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.855 0.029 -19.710 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.072 -1.176 -18.457 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.333 -1.333 -19.410 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.402 -1.348 -20.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.065 -3.581 -19.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.692 -3.129 -19.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.656 -3.114 -18.407 1.00 0.00 H new ATOM 1542 N ARG A 95 8.319 4.600 -18.278 1.00 0.00 N ATOM 1543 CA ARG A 95 8.151 5.947 -18.899 1.00 0.00 C ATOM 1544 C ARG A 95 9.059 6.950 -18.185 1.00 0.00 C ATOM 1545 O ARG A 95 9.566 6.685 -17.113 1.00 0.00 O ATOM 1546 CB ARG A 95 6.693 6.393 -18.768 1.00 0.00 C ATOM 1547 CG ARG A 95 6.315 6.486 -17.288 1.00 0.00 C ATOM 1548 CD ARG A 95 4.847 6.901 -17.162 1.00 0.00 C ATOM 1549 NE ARG A 95 4.723 7.998 -16.161 1.00 0.00 N ATOM 1550 CZ ARG A 95 5.371 9.116 -16.332 1.00 0.00 C ATOM 1551 NH1 ARG A 95 5.790 9.452 -17.523 1.00 0.00 N ATOM 1552 NH2 ARG A 95 5.601 9.900 -15.315 1.00 0.00 N ATOM 0 H ARG A 95 7.934 4.503 -17.339 1.00 0.00 H new ATOM 0 HA ARG A 95 8.420 5.898 -19.954 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.553 7.360 -19.251 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.039 5.685 -19.277 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.476 5.525 -16.799 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.954 7.211 -16.783 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.468 7.232 -18.129 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.242 6.047 -16.858 1.00 0.00 H new ATOM 0 HE ARG A 95 4.130 7.874 -15.340 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.610 8.840 -18.319 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.297 10.327 -17.657 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.274 9.638 -14.385 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.108 10.775 -15.450 1.00 0.00 H new ATOM 1566 N ARG A 96 9.275 8.099 -18.766 1.00 0.00 N ATOM 1567 CA ARG A 96 10.156 9.105 -18.107 1.00 0.00 C ATOM 1568 C ARG A 96 9.863 10.501 -18.662 1.00 0.00 C ATOM 1569 O ARG A 96 10.676 11.399 -18.560 1.00 0.00 O ATOM 1570 CB ARG A 96 11.619 8.749 -18.376 1.00 0.00 C ATOM 1571 CG ARG A 96 11.754 8.168 -19.785 1.00 0.00 C ATOM 1572 CD ARG A 96 13.222 7.845 -20.067 1.00 0.00 C ATOM 1573 NE ARG A 96 13.514 6.449 -19.638 1.00 0.00 N ATOM 1574 CZ ARG A 96 14.738 6.096 -19.355 1.00 0.00 C ATOM 1575 NH1 ARG A 96 15.539 5.698 -20.305 1.00 0.00 N ATOM 1576 NH2 ARG A 96 15.161 6.143 -18.121 1.00 0.00 N ATOM 0 H ARG A 96 8.882 8.384 -19.663 1.00 0.00 H new ATOM 0 HA ARG A 96 9.965 9.100 -17.034 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.244 9.636 -18.276 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.970 8.027 -17.639 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.148 7.266 -19.877 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.380 8.880 -20.521 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.434 7.962 -21.130 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.868 8.543 -19.535 1.00 0.00 H new ATOM 0 HE ARG A 96 12.757 5.769 -19.565 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.209 5.663 -21.269 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.496 5.422 -20.083 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.535 6.455 -17.379 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.118 5.867 -17.899 1.00 0.00 H new ATOM 1590 N GLN A 97 8.710 10.701 -19.242 1.00 0.00 N ATOM 1591 CA GLN A 97 8.383 12.047 -19.792 1.00 0.00 C ATOM 1592 C GLN A 97 6.967 12.042 -20.371 1.00 0.00 C ATOM 1593 O GLN A 97 6.650 11.273 -21.256 1.00 0.00 O ATOM 1594 CB GLN A 97 9.382 12.405 -20.895 1.00 0.00 C ATOM 1595 CG GLN A 97 9.281 13.899 -21.209 1.00 0.00 C ATOM 1596 CD GLN A 97 10.364 14.285 -22.218 1.00 0.00 C ATOM 1597 OE1 GLN A 97 10.081 14.912 -23.220 1.00 0.00 O ATOM 1598 NE2 GLN A 97 11.602 13.935 -21.996 1.00 0.00 N ATOM 0 H GLN A 97 7.984 9.994 -19.358 1.00 0.00 H new ATOM 0 HA GLN A 97 8.442 12.784 -18.991 1.00 0.00 H new ATOM 0 HB2 GLN A 97 10.395 12.157 -20.578 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.176 11.819 -21.791 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.295 14.130 -21.612 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.397 14.482 -20.295 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.840 13.409 -21.155 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.331 14.188 -22.663 1.00 0.00 H new ATOM 1607 N ARG A 98 6.114 12.899 -19.878 1.00 0.00 N ATOM 1608 CA ARG A 98 4.718 12.951 -20.399 1.00 0.00 C ATOM 1609 C ARG A 98 4.158 14.362 -20.204 1.00 0.00 C ATOM 1610 O ARG A 98 4.277 14.946 -19.145 1.00 0.00 O ATOM 1611 CB ARG A 98 3.850 11.948 -19.636 1.00 0.00 C ATOM 1612 CG ARG A 98 3.888 10.594 -20.348 1.00 0.00 C ATOM 1613 CD ARG A 98 2.541 10.335 -21.025 1.00 0.00 C ATOM 1614 NE ARG A 98 2.638 9.114 -21.873 1.00 0.00 N ATOM 1615 CZ ARG A 98 1.919 8.063 -21.589 1.00 0.00 C ATOM 1616 NH1 ARG A 98 0.626 8.091 -21.762 1.00 0.00 N ATOM 1617 NH2 ARG A 98 2.494 6.984 -21.132 1.00 0.00 N ATOM 0 H ARG A 98 6.324 13.566 -19.136 1.00 0.00 H new ATOM 0 HA ARG A 98 4.715 12.699 -21.460 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.211 11.843 -18.613 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.824 12.311 -19.576 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.687 10.583 -21.089 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.106 9.801 -19.633 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.762 10.207 -20.273 1.00 0.00 H new ATOM 0 HD3 ARG A 98 2.258 11.193 -21.635 1.00 0.00 H new ATOM 0 HE ARG A 98 3.267 9.100 -22.676 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.177 8.935 -22.119 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.064 7.269 -21.540 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.505 6.963 -20.997 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.933 6.162 -20.910 1.00 0.00 H new ATOM 1631 N GLY A 99 3.551 14.918 -21.217 1.00 0.00 N ATOM 1632 CA GLY A 99 2.989 16.292 -21.084 1.00 0.00 C ATOM 1633 C GLY A 99 2.221 16.657 -22.357 1.00 0.00 C ATOM 1634 O GLY A 99 2.751 16.608 -23.450 1.00 0.00 O ATOM 0 H GLY A 99 3.420 14.481 -22.129 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.326 16.343 -20.220 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.792 17.009 -20.913 1.00 0.00 H new ATOM 1638 N VAL A 100 0.977 17.026 -22.224 1.00 0.00 N ATOM 1639 CA VAL A 100 0.176 17.398 -23.425 1.00 0.00 C ATOM 1640 C VAL A 100 -0.571 18.706 -23.157 1.00 0.00 C ATOM 1641 O VAL A 100 -1.351 19.164 -23.970 1.00 0.00 O ATOM 1642 CB VAL A 100 -0.835 16.289 -23.729 1.00 0.00 C ATOM 1643 CG1 VAL A 100 -0.100 15.062 -24.274 1.00 0.00 C ATOM 1644 CG2 VAL A 100 -1.576 15.909 -22.444 1.00 0.00 C ATOM 0 H VAL A 100 0.480 17.086 -21.335 1.00 0.00 H new ATOM 0 HA VAL A 100 0.842 17.528 -24.278 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.550 16.644 -24.471 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.820 14.273 -24.490 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.429 15.331 -25.188 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.615 14.707 -23.532 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.296 15.120 -22.659 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.860 15.555 -21.702 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.100 16.782 -22.055 1.00 0.00 H new ATOM 1654 N SER A 101 -0.343 19.312 -22.024 1.00 0.00 N ATOM 1655 CA SER A 101 -1.042 20.588 -21.707 1.00 0.00 C ATOM 1656 C SER A 101 -0.051 21.571 -21.079 1.00 0.00 C ATOM 1657 O SER A 101 0.825 22.034 -21.791 1.00 0.00 O ATOM 1658 CB SER A 101 -2.180 20.315 -20.724 1.00 0.00 C ATOM 1659 OG SER A 101 -3.299 19.797 -21.432 1.00 0.00 O ATOM 1660 OXT SER A 101 -0.184 21.842 -19.897 1.00 0.00 O ATOM 0 H SER A 101 0.298 18.978 -21.304 1.00 0.00 H new ATOM 0 HA SER A 101 -1.448 21.017 -22.623 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.856 19.605 -19.963 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.456 21.233 -20.206 1.00 0.00 H new ATOM 0 HG SER A 101 -3.014 19.496 -22.320 1.00 0.00 H new TER 1666 SER A 101