USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 937 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 87 THR OG1 : rot -72:sc= 0.931 USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0.807 USER MOD Set 2.1: A 1 ALA N :NH3+ 171:sc= 1.23 (180deg=-0.00246) USER MOD Set 2.2: A 11 THR OG1 : rot 100:sc= 2.04 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -126:sc= -0.163 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.17) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 5:sc= 0.934 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0.698) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.648 (180deg=0.585) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.2) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -85:sc= 0.529 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.562 F(o=-2!,f=-0.56) USER MOD Single : A 49 GLN : amide:sc= -0.059 K(o=-0.059,f=-1.3) USER MOD Single : A 52 GLN : amide:sc= -1.67 K(o=-1.7,f=-5!) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.0809 (180deg=-0.484) USER MOD Single : A 65 THR OG1 : rot 68:sc= -1.05 USER MOD Single : A 67 THR OG1 : rot -88:sc= 1.2 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -2.06! C(o=-2.1!,f=-3.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 110:sc= -0.809 USER MOD Single : A 84 SER OG : rot 94:sc= 0.976 USER MOD Single : A 86 TYR OH : rot -140:sc= 0.622 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 102 SER OG : rot 180:sc= -0.087 USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 164:sc= -0.135 (180deg=-0.684) USER MOD Single : A 110 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.078 3.022 -9.798 1.00 0.00 N ATOM 2 CA ALA A 1 10.929 3.876 -9.538 1.00 0.00 C ATOM 3 C ALA A 1 11.357 5.310 -9.456 1.00 0.00 C ATOM 4 O ALA A 1 12.358 5.630 -8.804 1.00 0.00 O ATOM 5 CB ALA A 1 10.225 3.481 -8.243 1.00 0.00 C ATOM 0 H1 ALA A 1 11.798 2.025 -9.702 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.426 3.192 -10.763 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.832 3.237 -9.115 1.00 0.00 H new ATOM 0 HA ALA A 1 10.229 3.749 -10.364 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.371 4.138 -8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.880 2.450 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.920 3.573 -7.408 1.00 0.00 H new ATOM 13 N ASP A 2 10.620 6.153 -10.122 1.00 0.00 N ATOM 14 CA ASP A 2 10.803 7.599 -10.056 1.00 0.00 C ATOM 15 C ASP A 2 9.695 8.146 -9.190 1.00 0.00 C ATOM 16 O ASP A 2 9.856 9.125 -8.448 1.00 0.00 O ATOM 17 CB ASP A 2 10.691 8.224 -11.461 1.00 0.00 C ATOM 18 CG ASP A 2 10.728 9.751 -11.444 1.00 0.00 C ATOM 19 OD1 ASP A 2 11.831 10.330 -11.441 1.00 0.00 O ATOM 20 OD2 ASP A 2 9.650 10.403 -11.448 1.00 0.00 O ATOM 0 H ASP A 2 9.861 5.864 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 2 11.788 7.835 -9.652 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.506 7.854 -12.082 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.762 7.894 -11.925 1.00 0.00 H new ATOM 25 N GLU A 3 8.604 7.440 -9.264 1.00 0.00 N ATOM 26 CA GLU A 3 7.356 7.744 -8.652 1.00 0.00 C ATOM 27 C GLU A 3 7.442 7.485 -7.140 1.00 0.00 C ATOM 28 O GLU A 3 7.674 6.355 -6.720 1.00 0.00 O ATOM 29 CB GLU A 3 6.269 6.822 -9.267 1.00 0.00 C ATOM 30 CG GLU A 3 6.151 6.806 -10.812 1.00 0.00 C ATOM 31 CD GLU A 3 7.308 6.104 -11.534 1.00 0.00 C ATOM 32 OE1 GLU A 3 8.093 5.363 -10.890 1.00 0.00 O ATOM 33 OE2 GLU A 3 7.461 6.288 -12.756 1.00 0.00 O ATOM 0 H GLU A 3 8.568 6.571 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 3 7.106 8.791 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.460 5.803 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.303 7.117 -8.857 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.217 6.315 -11.087 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.088 7.834 -11.169 1.00 0.00 H new ATOM 40 N PRO A 4 7.309 8.526 -6.301 1.00 0.00 N ATOM 41 CA PRO A 4 7.360 8.366 -4.862 1.00 0.00 C ATOM 42 C PRO A 4 5.969 8.233 -4.210 1.00 0.00 C ATOM 43 O PRO A 4 5.862 8.029 -3.003 1.00 0.00 O ATOM 44 CB PRO A 4 8.035 9.663 -4.416 1.00 0.00 C ATOM 45 CG PRO A 4 7.592 10.696 -5.416 1.00 0.00 C ATOM 46 CD PRO A 4 7.184 9.945 -6.685 1.00 0.00 C ATOM 0 HA PRO A 4 7.879 7.453 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.734 9.937 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.120 9.561 -4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.756 11.276 -5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.398 11.399 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.166 10.191 -6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.834 10.192 -7.524 1.00 0.00 H new ATOM 54 N ALA A 5 4.908 8.373 -4.994 1.00 0.00 N ATOM 55 CA ALA A 5 3.557 8.288 -4.447 1.00 0.00 C ATOM 56 C ALA A 5 3.050 6.869 -4.494 1.00 0.00 C ATOM 57 O ALA A 5 2.132 6.504 -3.770 1.00 0.00 O ATOM 58 CB ALA A 5 2.607 9.224 -5.166 1.00 0.00 C ATOM 0 H ALA A 5 4.953 8.544 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 5 3.602 8.602 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.611 9.134 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.958 10.251 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.568 8.961 -6.223 1.00 0.00 H new ATOM 64 N TYR A 6 3.674 6.094 -5.327 1.00 0.00 N ATOM 65 CA TYR A 6 3.426 4.712 -5.537 1.00 0.00 C ATOM 66 C TYR A 6 4.598 4.268 -6.351 1.00 0.00 C ATOM 67 O TYR A 6 5.034 5.004 -7.211 1.00 0.00 O ATOM 68 CB TYR A 6 2.071 4.454 -6.274 1.00 0.00 C ATOM 69 CG TYR A 6 1.903 5.170 -7.612 1.00 0.00 C ATOM 70 CD1 TYR A 6 2.366 4.605 -8.792 1.00 0.00 C ATOM 71 CD2 TYR A 6 1.279 6.407 -7.685 1.00 0.00 C ATOM 72 CE1 TYR A 6 2.222 5.250 -9.998 1.00 0.00 C ATOM 73 CE2 TYR A 6 1.128 7.058 -8.889 1.00 0.00 C ATOM 74 CZ TYR A 6 1.602 6.475 -10.041 1.00 0.00 C ATOM 75 OH TYR A 6 1.454 7.123 -11.242 1.00 0.00 O ATOM 0 H TYR A 6 4.426 6.444 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 6 3.326 4.161 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.966 3.382 -6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.256 4.756 -5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.849 3.639 -8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.905 6.867 -6.782 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.594 4.797 -10.905 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.640 8.021 -8.928 1.00 0.00 H new ATOM 0 HH TYR A 6 0.994 7.977 -11.099 1.00 0.00 H new ATOM 85 N LEU A 7 5.147 3.156 -6.047 1.00 0.00 N ATOM 86 CA LEU A 7 6.345 2.721 -6.734 1.00 0.00 C ATOM 87 C LEU A 7 6.013 1.979 -8.028 1.00 0.00 C ATOM 88 O LEU A 7 4.832 1.771 -8.365 1.00 0.00 O ATOM 89 CB LEU A 7 7.220 1.860 -5.813 1.00 0.00 C ATOM 90 CG LEU A 7 7.477 2.420 -4.401 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.451 1.549 -3.634 1.00 0.00 C ATOM 92 CD2 LEU A 7 7.946 3.870 -4.446 1.00 0.00 C ATOM 0 H LEU A 7 4.803 2.516 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 7 6.911 3.612 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.752 0.881 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.182 1.705 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 7 6.527 2.405 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.612 1.970 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.043 0.543 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.400 1.507 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.117 4.229 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.874 3.935 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.183 4.484 -4.925 1.00 0.00 H new ATOM 104 N THR A 8 7.039 1.571 -8.730 1.00 0.00 N ATOM 105 CA THR A 8 6.899 0.919 -9.999 1.00 0.00 C ATOM 106 C THR A 8 7.773 -0.336 -10.078 1.00 0.00 C ATOM 107 O THR A 8 8.645 -0.568 -9.209 1.00 0.00 O ATOM 108 CB THR A 8 7.232 1.896 -11.149 1.00 0.00 C ATOM 109 OG1 THR A 8 8.401 2.671 -10.811 1.00 0.00 O ATOM 110 CG2 THR A 8 6.056 2.815 -11.442 1.00 0.00 C ATOM 0 H THR A 8 8.007 1.686 -8.429 1.00 0.00 H new ATOM 0 HA THR A 8 5.861 0.605 -10.104 1.00 0.00 H new ATOM 0 HB THR A 8 7.436 1.314 -12.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.198 3.625 -10.901 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.317 3.492 -12.255 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.191 2.218 -11.731 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.816 3.394 -10.550 1.00 0.00 H new ATOM 118 N VAL A 9 7.536 -1.129 -11.101 1.00 0.00 N ATOM 119 CA VAL A 9 8.220 -2.402 -11.320 1.00 0.00 C ATOM 120 C VAL A 9 9.705 -2.194 -11.665 1.00 0.00 C ATOM 121 O VAL A 9 10.088 -1.155 -12.232 1.00 0.00 O ATOM 122 CB VAL A 9 7.513 -3.187 -12.468 1.00 0.00 C ATOM 123 CG1 VAL A 9 8.197 -4.515 -12.767 1.00 0.00 C ATOM 124 CG2 VAL A 9 6.047 -3.413 -12.133 1.00 0.00 C ATOM 0 H VAL A 9 6.850 -0.909 -11.823 1.00 0.00 H new ATOM 0 HA VAL A 9 8.170 -2.976 -10.395 1.00 0.00 H new ATOM 0 HB VAL A 9 7.586 -2.575 -13.367 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.668 -5.024 -13.573 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.229 -4.333 -13.068 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.185 -5.140 -11.874 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.569 -3.962 -12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.969 -3.988 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.551 -2.451 -12.004 1.00 0.00 H new ATOM 134 N GLY A 10 10.535 -3.153 -11.265 1.00 0.00 N ATOM 135 CA GLY A 10 11.941 -3.141 -11.612 1.00 0.00 C ATOM 136 C GLY A 10 12.793 -2.441 -10.587 1.00 0.00 C ATOM 137 O GLY A 10 14.018 -2.425 -10.688 1.00 0.00 O ATOM 0 H GLY A 10 10.250 -3.951 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.290 -4.167 -11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.067 -2.651 -12.577 1.00 0.00 H new ATOM 141 N THR A 11 12.157 -1.852 -9.619 1.00 0.00 N ATOM 142 CA THR A 11 12.827 -1.121 -8.605 1.00 0.00 C ATOM 143 C THR A 11 13.341 -2.060 -7.520 1.00 0.00 C ATOM 144 O THR A 11 12.663 -3.014 -7.150 1.00 0.00 O ATOM 145 CB THR A 11 11.840 -0.149 -7.981 1.00 0.00 C ATOM 146 OG1 THR A 11 11.112 0.523 -9.024 1.00 0.00 O ATOM 147 CG2 THR A 11 12.565 0.876 -7.172 1.00 0.00 C ATOM 0 H THR A 11 11.142 -1.871 -9.517 1.00 0.00 H new ATOM 0 HA THR A 11 13.672 -0.591 -9.044 1.00 0.00 H new ATOM 0 HB THR A 11 11.159 -0.705 -7.337 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.234 0.102 -9.133 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.846 1.566 -6.730 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.128 0.383 -6.380 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.251 1.428 -7.815 1.00 0.00 H new ATOM 155 N ASP A 12 14.522 -1.792 -7.043 1.00 0.00 N ATOM 156 CA ASP A 12 15.107 -2.532 -5.941 1.00 0.00 C ATOM 157 C ASP A 12 15.028 -1.665 -4.722 1.00 0.00 C ATOM 158 O ASP A 12 15.665 -0.613 -4.663 1.00 0.00 O ATOM 159 CB ASP A 12 16.573 -2.891 -6.227 1.00 0.00 C ATOM 160 CG ASP A 12 17.274 -3.592 -5.057 1.00 0.00 C ATOM 161 OD1 ASP A 12 17.784 -2.900 -4.147 1.00 0.00 O ATOM 162 OD2 ASP A 12 17.380 -4.843 -5.073 1.00 0.00 O ATOM 0 H ASP A 12 15.119 -1.048 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 12 14.563 -3.466 -5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 12 16.616 -3.537 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 12 17.119 -1.981 -6.474 1.00 0.00 H new ATOM 167 N VAL A 13 14.214 -2.048 -3.799 1.00 0.00 N ATOM 168 CA VAL A 13 14.059 -1.302 -2.579 1.00 0.00 C ATOM 169 C VAL A 13 14.252 -2.223 -1.420 1.00 0.00 C ATOM 170 O VAL A 13 14.351 -3.426 -1.599 1.00 0.00 O ATOM 171 CB VAL A 13 12.685 -0.582 -2.456 1.00 0.00 C ATOM 172 CG1 VAL A 13 12.515 0.453 -3.535 1.00 0.00 C ATOM 173 CG2 VAL A 13 11.526 -1.550 -2.478 1.00 0.00 C ATOM 0 H VAL A 13 13.634 -2.885 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 13 14.814 -0.516 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 13 12.682 -0.084 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.546 0.939 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.306 1.198 -3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.569 -0.027 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 13 10.590 -0.999 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.533 -2.105 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.617 -2.246 -1.644 1.00 0.00 H new ATOM 183 N SER A 14 14.305 -1.691 -0.251 1.00 0.00 N ATOM 184 CA SER A 14 14.497 -2.519 0.890 1.00 0.00 C ATOM 185 C SER A 14 13.155 -2.876 1.527 1.00 0.00 C ATOM 186 O SER A 14 12.235 -2.069 1.523 1.00 0.00 O ATOM 187 CB SER A 14 15.458 -1.851 1.848 1.00 0.00 C ATOM 188 OG SER A 14 16.666 -1.533 1.158 1.00 0.00 O ATOM 0 H SER A 14 14.219 -0.693 -0.058 1.00 0.00 H new ATOM 0 HA SER A 14 14.950 -3.465 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 14 15.011 -0.946 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 14 15.669 -2.511 2.689 1.00 0.00 H new ATOM 0 HG SER A 14 17.291 -1.098 1.775 1.00 0.00 H new ATOM 194 N ALA A 15 13.046 -4.089 2.013 1.00 0.00 N ATOM 195 CA ALA A 15 11.831 -4.592 2.607 1.00 0.00 C ATOM 196 C ALA A 15 12.151 -5.291 3.905 1.00 0.00 C ATOM 197 O ALA A 15 13.048 -6.141 3.952 1.00 0.00 O ATOM 198 CB ALA A 15 11.163 -5.570 1.665 1.00 0.00 C ATOM 0 H ALA A 15 13.810 -4.764 2.007 1.00 0.00 H new ATOM 0 HA ALA A 15 11.158 -3.756 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.247 -5.945 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.923 -5.067 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.837 -6.403 1.467 1.00 0.00 H new ATOM 204 N LYS A 16 11.455 -4.940 4.956 1.00 0.00 N ATOM 205 CA LYS A 16 11.699 -5.568 6.220 1.00 0.00 C ATOM 206 C LYS A 16 10.750 -6.712 6.427 1.00 0.00 C ATOM 207 O LYS A 16 9.522 -6.554 6.390 1.00 0.00 O ATOM 208 CB LYS A 16 11.699 -4.572 7.407 1.00 0.00 C ATOM 209 CG LYS A 16 10.369 -3.943 7.753 1.00 0.00 C ATOM 210 CD LYS A 16 10.532 -2.818 8.765 1.00 0.00 C ATOM 211 CE LYS A 16 11.082 -3.256 10.116 1.00 0.00 C ATOM 212 NZ LYS A 16 11.173 -2.106 11.055 1.00 0.00 N ATOM 0 H LYS A 16 10.723 -4.230 4.958 1.00 0.00 H new ATOM 0 HA LYS A 16 12.712 -5.970 6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.072 -5.092 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.407 -3.774 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.902 -3.555 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.700 -4.703 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.196 -2.062 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.564 -2.342 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.439 -4.027 10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.068 -3.701 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.404 -2.453 12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.917 -1.454 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.262 -1.605 11.080 1.00 0.00 H new ATOM 226 N TYR A 17 11.307 -7.855 6.588 1.00 0.00 N ATOM 227 CA TYR A 17 10.560 -9.023 6.823 1.00 0.00 C ATOM 228 C TYR A 17 10.998 -9.571 8.159 1.00 0.00 C ATOM 229 O TYR A 17 12.192 -9.774 8.391 1.00 0.00 O ATOM 230 CB TYR A 17 10.716 -10.032 5.654 1.00 0.00 C ATOM 231 CG TYR A 17 12.088 -10.636 5.448 1.00 0.00 C ATOM 232 CD1 TYR A 17 13.041 -9.991 4.677 1.00 0.00 C ATOM 233 CD2 TYR A 17 12.413 -11.865 6.001 1.00 0.00 C ATOM 234 CE1 TYR A 17 14.273 -10.559 4.471 1.00 0.00 C ATOM 235 CE2 TYR A 17 13.643 -12.433 5.799 1.00 0.00 C ATOM 236 CZ TYR A 17 14.570 -11.777 5.035 1.00 0.00 C ATOM 237 OH TYR A 17 15.811 -12.345 4.824 1.00 0.00 O ATOM 0 H TYR A 17 12.316 -8.003 6.559 1.00 0.00 H new ATOM 0 HA TYR A 17 9.492 -8.811 6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.008 -10.845 5.811 1.00 0.00 H new ATOM 0 HB3 TYR A 17 10.425 -9.530 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.812 -9.033 4.234 1.00 0.00 H new ATOM 0 HD2 TYR A 17 11.682 -12.385 6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 17 15.009 -10.050 3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.879 -13.391 6.239 1.00 0.00 H new ATOM 0 HH TYR A 17 15.861 -13.205 5.292 1.00 0.00 H new ATOM 247 N ARG A 18 10.051 -9.690 9.072 1.00 0.00 N ATOM 248 CA ARG A 18 10.315 -10.135 10.448 1.00 0.00 C ATOM 249 C ARG A 18 11.216 -9.140 11.174 1.00 0.00 C ATOM 250 O ARG A 18 11.906 -9.478 12.124 1.00 0.00 O ATOM 251 CB ARG A 18 10.885 -11.575 10.518 1.00 0.00 C ATOM 252 CG ARG A 18 9.835 -12.674 10.403 1.00 0.00 C ATOM 253 CD ARG A 18 9.165 -12.746 9.044 1.00 0.00 C ATOM 254 NE ARG A 18 7.947 -13.556 9.119 1.00 0.00 N ATOM 255 CZ ARG A 18 7.268 -14.069 8.090 1.00 0.00 C ATOM 256 NH1 ARG A 18 7.781 -14.052 6.864 1.00 0.00 N ATOM 257 NH2 ARG A 18 6.092 -14.655 8.307 1.00 0.00 N ATOM 0 H ARG A 18 9.069 -9.482 8.889 1.00 0.00 H new ATOM 0 HA ARG A 18 9.354 -10.167 10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.616 -11.703 9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.418 -11.696 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.304 -13.634 10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.072 -12.515 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.921 -11.742 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.852 -13.176 8.315 1.00 0.00 H new ATOM 0 HE ARG A 18 7.580 -13.748 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.702 -13.644 6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.254 -14.447 6.085 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.716 -14.709 9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.567 -15.049 7.526 1.00 0.00 H new ATOM 271 N GLY A 19 11.159 -7.898 10.734 1.00 0.00 N ATOM 272 CA GLY A 19 11.936 -6.839 11.334 1.00 0.00 C ATOM 273 C GLY A 19 13.290 -6.630 10.672 1.00 0.00 C ATOM 274 O GLY A 19 13.913 -5.576 10.846 1.00 0.00 O ATOM 0 H GLY A 19 10.574 -7.599 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.369 -5.910 11.284 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.087 -7.064 12.390 1.00 0.00 H new ATOM 278 N ALA A 20 13.719 -7.583 9.875 1.00 0.00 N ATOM 279 CA ALA A 20 15.016 -7.502 9.231 1.00 0.00 C ATOM 280 C ALA A 20 14.828 -7.144 7.782 1.00 0.00 C ATOM 281 O ALA A 20 14.003 -7.745 7.092 1.00 0.00 O ATOM 282 CB ALA A 20 15.767 -8.818 9.369 1.00 0.00 C ATOM 0 H ALA A 20 13.189 -8.426 9.655 1.00 0.00 H new ATOM 0 HA ALA A 20 15.611 -6.729 9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 20 16.737 -8.736 8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 20 15.912 -9.045 10.425 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.191 -9.616 8.902 1.00 0.00 H new ATOM 288 N PHE A 21 15.543 -6.162 7.319 1.00 0.00 N ATOM 289 CA PHE A 21 15.373 -5.727 5.965 1.00 0.00 C ATOM 290 C PHE A 21 16.446 -6.126 5.004 1.00 0.00 C ATOM 291 O PHE A 21 17.642 -5.844 5.190 1.00 0.00 O ATOM 292 CB PHE A 21 14.977 -4.258 5.823 1.00 0.00 C ATOM 293 CG PHE A 21 15.636 -3.275 6.740 1.00 0.00 C ATOM 294 CD1 PHE A 21 16.830 -2.669 6.407 1.00 0.00 C ATOM 295 CD2 PHE A 21 15.010 -2.913 7.918 1.00 0.00 C ATOM 296 CE1 PHE A 21 17.393 -1.727 7.244 1.00 0.00 C ATOM 297 CE2 PHE A 21 15.552 -1.973 8.750 1.00 0.00 C ATOM 298 CZ PHE A 21 16.751 -1.376 8.418 1.00 0.00 C ATOM 0 H PHE A 21 16.245 -5.650 7.854 1.00 0.00 H new ATOM 0 HA PHE A 21 14.508 -6.312 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.182 -3.952 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 21 13.899 -4.184 5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.327 -2.933 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.075 -3.382 8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.333 -1.265 6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.044 -1.699 9.663 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.187 -0.636 9.073 1.00 0.00 H new ATOM 308 N CYS A 22 15.995 -6.780 3.982 1.00 0.00 N ATOM 309 CA CYS A 22 16.789 -7.176 2.870 1.00 0.00 C ATOM 310 C CYS A 22 16.231 -6.406 1.702 1.00 0.00 C ATOM 311 O CYS A 22 15.110 -5.902 1.779 1.00 0.00 O ATOM 312 CB CYS A 22 16.631 -8.688 2.630 1.00 0.00 C ATOM 313 SG CYS A 22 17.657 -9.390 1.292 1.00 0.00 S ATOM 0 H CYS A 22 15.019 -7.064 3.899 1.00 0.00 H new ATOM 0 HA CYS A 22 17.850 -6.978 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.868 -9.211 3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 22 15.584 -8.894 2.406 1.00 0.00 H new ATOM 0 HG CYS A 22 18.441 -8.468 0.817 1.00 0.00 H new ATOM 319 N GLU A 23 16.964 -6.272 0.672 1.00 0.00 N ATOM 320 CA GLU A 23 16.474 -5.590 -0.476 1.00 0.00 C ATOM 321 C GLU A 23 15.819 -6.557 -1.406 1.00 0.00 C ATOM 322 O GLU A 23 16.209 -7.727 -1.514 1.00 0.00 O ATOM 323 CB GLU A 23 17.532 -4.761 -1.198 1.00 0.00 C ATOM 324 CG GLU A 23 18.708 -5.551 -1.698 1.00 0.00 C ATOM 325 CD GLU A 23 19.586 -6.040 -0.557 1.00 0.00 C ATOM 326 OE1 GLU A 23 20.412 -5.258 -0.067 1.00 0.00 O ATOM 327 OE2 GLU A 23 19.400 -7.196 -0.082 1.00 0.00 O ATOM 0 H GLU A 23 17.917 -6.626 0.589 1.00 0.00 H new ATOM 0 HA GLU A 23 15.736 -4.871 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 23 17.065 -4.255 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 23 17.892 -3.986 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 23 18.353 -6.405 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 23 19.300 -4.933 -2.373 1.00 0.00 H new ATOM 334 N ALA A 24 14.870 -6.075 -2.079 1.00 0.00 N ATOM 335 CA ALA A 24 14.075 -6.861 -2.932 1.00 0.00 C ATOM 336 C ALA A 24 13.693 -6.068 -4.135 1.00 0.00 C ATOM 337 O ALA A 24 13.545 -4.840 -4.073 1.00 0.00 O ATOM 338 CB ALA A 24 12.856 -7.334 -2.199 1.00 0.00 C ATOM 0 H ALA A 24 14.608 -5.090 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 24 14.642 -7.733 -3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.244 -7.942 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.158 -7.930 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.278 -6.474 -1.860 1.00 0.00 H new ATOM 344 N LYS A 25 13.531 -6.739 -5.206 1.00 0.00 N ATOM 345 CA LYS A 25 13.228 -6.092 -6.442 1.00 0.00 C ATOM 346 C LYS A 25 11.743 -6.284 -6.804 1.00 0.00 C ATOM 347 O LYS A 25 11.241 -7.395 -6.841 1.00 0.00 O ATOM 348 CB LYS A 25 14.178 -6.610 -7.513 1.00 0.00 C ATOM 349 CG LYS A 25 14.018 -5.954 -8.872 1.00 0.00 C ATOM 350 CD LYS A 25 14.972 -6.557 -9.883 1.00 0.00 C ATOM 351 CE LYS A 25 14.827 -5.896 -11.237 1.00 0.00 C ATOM 352 NZ LYS A 25 15.758 -6.466 -12.227 1.00 0.00 N ATOM 0 H LYS A 25 13.602 -7.755 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 25 13.378 -5.016 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.203 -6.464 -7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.029 -7.684 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.992 -6.074 -9.219 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.202 -4.883 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.997 -6.447 -9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.780 -7.626 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.803 -6.014 -11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.010 -4.826 -11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.628 -5.987 -13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.736 -6.331 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.567 -7.482 -12.338 1.00 0.00 H new ATOM 366 N ILE A 26 11.064 -5.192 -7.052 1.00 0.00 N ATOM 367 CA ILE A 26 9.626 -5.177 -7.310 1.00 0.00 C ATOM 368 C ILE A 26 9.269 -5.829 -8.654 1.00 0.00 C ATOM 369 O ILE A 26 9.698 -5.367 -9.718 1.00 0.00 O ATOM 370 CB ILE A 26 9.057 -3.730 -7.289 1.00 0.00 C ATOM 371 CG1 ILE A 26 9.530 -2.968 -6.034 1.00 0.00 C ATOM 372 CG2 ILE A 26 7.536 -3.784 -7.320 1.00 0.00 C ATOM 373 CD1 ILE A 26 9.076 -1.527 -5.966 1.00 0.00 C ATOM 0 H ILE A 26 11.493 -4.267 -7.083 1.00 0.00 H new ATOM 0 HA ILE A 26 9.173 -5.758 -6.507 1.00 0.00 H new ATOM 0 HB ILE A 26 9.425 -3.199 -8.167 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.168 -3.492 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 26 10.619 -2.995 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.136 -2.770 -7.305 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.208 -4.290 -8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.173 -4.330 -6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.454 -1.069 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.460 -0.984 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.987 -1.488 -5.968 1.00 0.00 H new ATOM 385 N LYS A 27 8.478 -6.878 -8.581 1.00 0.00 N ATOM 386 CA LYS A 27 7.985 -7.596 -9.742 1.00 0.00 C ATOM 387 C LYS A 27 6.678 -7.018 -10.165 1.00 0.00 C ATOM 388 O LYS A 27 6.464 -6.679 -11.311 1.00 0.00 O ATOM 389 CB LYS A 27 7.692 -9.055 -9.387 1.00 0.00 C ATOM 390 CG LYS A 27 8.859 -9.848 -8.902 1.00 0.00 C ATOM 391 CD LYS A 27 9.943 -9.969 -9.974 1.00 0.00 C ATOM 392 CE LYS A 27 9.430 -10.632 -11.270 1.00 0.00 C ATOM 393 NZ LYS A 27 9.029 -12.036 -11.083 1.00 0.00 N ATOM 0 H LYS A 27 8.152 -7.265 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 27 8.744 -7.522 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.918 -9.075 -8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.281 -9.549 -10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.277 -9.375 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.526 -10.843 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.330 -8.977 -10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.776 -10.551 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.579 -10.065 -11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.210 -10.582 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.495 -12.358 -11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.877 -12.627 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.431 -12.116 -10.236 1.00 0.00 H new ATOM 407 N THR A 28 5.792 -6.949 -9.236 1.00 0.00 N ATOM 408 CA THR A 28 4.456 -6.536 -9.516 1.00 0.00 C ATOM 409 C THR A 28 4.025 -5.446 -8.553 1.00 0.00 C ATOM 410 O THR A 28 4.394 -5.463 -7.369 1.00 0.00 O ATOM 411 CB THR A 28 3.526 -7.744 -9.381 1.00 0.00 C ATOM 412 OG1 THR A 28 4.070 -8.843 -10.148 1.00 0.00 O ATOM 413 CG2 THR A 28 2.121 -7.434 -9.875 1.00 0.00 C ATOM 0 H THR A 28 5.969 -7.177 -8.258 1.00 0.00 H new ATOM 0 HA THR A 28 4.406 -6.139 -10.530 1.00 0.00 H new ATOM 0 HB THR A 28 3.459 -8.005 -8.325 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.481 -9.622 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.492 -8.317 -9.762 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.703 -6.614 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.160 -7.148 -10.926 1.00 0.00 H new ATOM 421 N VAL A 29 3.267 -4.524 -9.067 1.00 0.00 N ATOM 422 CA VAL A 29 2.751 -3.412 -8.328 1.00 0.00 C ATOM 423 C VAL A 29 1.267 -3.337 -8.518 1.00 0.00 C ATOM 424 O VAL A 29 0.776 -3.278 -9.653 1.00 0.00 O ATOM 425 CB VAL A 29 3.354 -2.058 -8.796 1.00 0.00 C ATOM 426 CG1 VAL A 29 2.729 -0.893 -8.042 1.00 0.00 C ATOM 427 CG2 VAL A 29 4.831 -2.054 -8.596 1.00 0.00 C ATOM 0 H VAL A 29 2.981 -4.526 -10.046 1.00 0.00 H new ATOM 0 HA VAL A 29 3.019 -3.572 -7.284 1.00 0.00 H new ATOM 0 HB VAL A 29 3.135 -1.941 -9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.169 0.042 -8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.654 -0.878 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.916 -1.008 -6.974 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.241 -1.100 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.055 -2.197 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.279 -2.862 -9.175 1.00 0.00 H new ATOM 437 N LYS A 30 0.563 -3.361 -7.439 1.00 0.00 N ATOM 438 CA LYS A 30 -0.846 -3.122 -7.493 1.00 0.00 C ATOM 439 C LYS A 30 -1.090 -1.829 -6.797 1.00 0.00 C ATOM 440 O LYS A 30 -0.788 -1.709 -5.606 1.00 0.00 O ATOM 441 CB LYS A 30 -1.705 -4.189 -6.803 1.00 0.00 C ATOM 442 CG LYS A 30 -3.203 -3.925 -7.035 1.00 0.00 C ATOM 443 CD LYS A 30 -4.107 -4.664 -6.072 1.00 0.00 C ATOM 444 CE LYS A 30 -5.587 -4.450 -6.434 1.00 0.00 C ATOM 445 NZ LYS A 30 -6.004 -3.014 -6.465 1.00 0.00 N ATOM 0 H LYS A 30 0.935 -3.543 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.134 -3.128 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.442 -5.175 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.494 -4.195 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.392 -2.855 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.460 -4.213 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.874 -5.729 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.923 -4.317 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.780 -4.895 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.207 -4.982 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.002 -2.948 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.885 -2.597 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.415 -2.496 -7.148 1.00 0.00 H new ATOM 459 N ARG A 31 -1.600 -0.868 -7.506 1.00 0.00 N ATOM 460 CA ARG A 31 -1.923 0.398 -6.910 1.00 0.00 C ATOM 461 C ARG A 31 -3.143 0.204 -6.037 1.00 0.00 C ATOM 462 O ARG A 31 -4.247 -0.045 -6.530 1.00 0.00 O ATOM 463 CB ARG A 31 -2.151 1.454 -7.989 1.00 0.00 C ATOM 464 CG ARG A 31 -0.917 1.706 -8.825 1.00 0.00 C ATOM 465 CD ARG A 31 -1.166 2.704 -9.933 1.00 0.00 C ATOM 466 NE ARG A 31 -0.014 2.760 -10.830 1.00 0.00 N ATOM 467 CZ ARG A 31 -0.044 3.111 -12.111 1.00 0.00 C ATOM 468 NH1 ARG A 31 -1.138 3.654 -12.643 1.00 0.00 N ATOM 469 NH2 ARG A 31 1.049 2.956 -12.844 1.00 0.00 N ATOM 0 H ARG A 31 -1.803 -0.935 -8.503 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.098 0.757 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.966 1.135 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.464 2.387 -7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.115 2.072 -8.184 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.576 0.765 -9.257 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.058 2.422 -10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.354 3.690 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 31 0.893 2.507 -10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.965 3.805 -12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.148 3.919 -13.628 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.895 2.573 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.044 3.220 -13.829 1.00 0.00 H new ATOM 483 N LEU A 32 -2.934 0.248 -4.756 1.00 0.00 N ATOM 484 CA LEU A 32 -3.951 -0.021 -3.819 1.00 0.00 C ATOM 485 C LEU A 32 -4.003 1.080 -2.818 1.00 0.00 C ATOM 486 O LEU A 32 -2.983 1.552 -2.331 1.00 0.00 O ATOM 487 CB LEU A 32 -3.718 -1.417 -3.197 1.00 0.00 C ATOM 488 CG LEU A 32 -4.633 -1.887 -2.066 1.00 0.00 C ATOM 489 CD1 LEU A 32 -4.594 -3.390 -2.010 1.00 0.00 C ATOM 490 CD2 LEU A 32 -4.142 -1.341 -0.737 1.00 0.00 C ATOM 0 H LEU A 32 -2.032 0.477 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.930 -0.053 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.785 -2.150 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.694 -1.444 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.647 -1.532 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.242 -3.741 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.939 -3.799 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.573 -3.721 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.801 -1.682 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.129 -1.697 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.143 -0.251 -0.768 1.00 0.00 H new ATOM 502 N VAL A 33 -5.164 1.477 -2.514 1.00 0.00 N ATOM 503 CA VAL A 33 -5.362 2.567 -1.625 1.00 0.00 C ATOM 504 C VAL A 33 -6.060 2.069 -0.380 1.00 0.00 C ATOM 505 O VAL A 33 -6.999 1.282 -0.476 1.00 0.00 O ATOM 506 CB VAL A 33 -6.232 3.668 -2.296 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.347 4.897 -1.418 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.688 4.045 -3.669 1.00 0.00 C ATOM 0 H VAL A 33 -6.023 1.060 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.393 2.995 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.231 3.251 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.962 5.645 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.808 4.624 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.354 5.307 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.319 4.817 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.671 4.423 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.685 3.166 -4.313 1.00 0.00 H new ATOM 518 N LYS A 34 -5.561 2.457 0.768 1.00 0.00 N ATOM 519 CA LYS A 34 -6.244 2.221 2.001 1.00 0.00 C ATOM 520 C LYS A 34 -7.214 3.337 2.174 1.00 0.00 C ATOM 521 O LYS A 34 -6.844 4.470 2.510 1.00 0.00 O ATOM 522 CB LYS A 34 -5.320 2.157 3.213 1.00 0.00 C ATOM 523 CG LYS A 34 -4.546 0.871 3.380 1.00 0.00 C ATOM 524 CD LYS A 34 -3.801 0.899 4.703 1.00 0.00 C ATOM 525 CE LYS A 34 -3.107 -0.414 5.003 1.00 0.00 C ATOM 526 NZ LYS A 34 -2.502 -0.397 6.355 1.00 0.00 N ATOM 0 H LYS A 34 -4.670 2.944 0.866 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.727 1.245 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.610 2.981 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.917 2.319 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.225 0.019 3.350 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.843 0.747 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.063 1.701 4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.501 1.129 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.823 -1.233 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.334 -0.600 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.033 -1.307 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.803 0.371 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.245 -0.243 7.066 1.00 0.00 H new ATOM 540 N VAL A 35 -8.413 3.051 1.888 1.00 0.00 N ATOM 541 CA VAL A 35 -9.438 4.013 1.921 1.00 0.00 C ATOM 542 C VAL A 35 -10.075 3.999 3.293 1.00 0.00 C ATOM 543 O VAL A 35 -10.602 2.965 3.737 1.00 0.00 O ATOM 544 CB VAL A 35 -10.508 3.711 0.851 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.463 4.874 0.706 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.868 3.367 -0.492 1.00 0.00 C ATOM 0 H VAL A 35 -8.723 2.118 1.616 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.012 4.994 1.711 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.074 2.841 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.209 4.640 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.960 5.058 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.909 5.764 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.648 3.159 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.264 4.208 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.234 2.488 -0.378 1.00 0.00 H new ATOM 556 N LYS A 36 -9.984 5.110 3.972 1.00 0.00 N ATOM 557 CA LYS A 36 -10.589 5.269 5.257 1.00 0.00 C ATOM 558 C LYS A 36 -12.029 5.567 5.007 1.00 0.00 C ATOM 559 O LYS A 36 -12.369 6.663 4.580 1.00 0.00 O ATOM 560 CB LYS A 36 -9.933 6.435 6.034 1.00 0.00 C ATOM 561 CG LYS A 36 -10.397 6.600 7.483 1.00 0.00 C ATOM 562 CD LYS A 36 -9.674 7.759 8.177 1.00 0.00 C ATOM 563 CE LYS A 36 -10.182 7.982 9.606 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.521 9.139 10.268 1.00 0.00 N ATOM 0 H LYS A 36 -9.483 5.935 3.642 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.463 4.370 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.853 6.290 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.131 7.363 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.472 6.776 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.215 5.676 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.603 7.556 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.812 8.671 7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.259 8.146 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.008 7.082 10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.897 9.249 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.495 8.973 10.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.708 10.004 9.722 1.00 0.00 H new ATOM 578 N VAL A 37 -12.854 4.609 5.205 1.00 0.00 N ATOM 579 CA VAL A 37 -14.247 4.783 4.967 1.00 0.00 C ATOM 580 C VAL A 37 -15.008 4.757 6.223 1.00 0.00 C ATOM 581 O VAL A 37 -14.706 3.996 7.150 1.00 0.00 O ATOM 582 CB VAL A 37 -14.860 3.752 3.988 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.491 4.083 2.565 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.417 2.336 4.340 1.00 0.00 C ATOM 0 H VAL A 37 -12.590 3.681 5.536 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.325 5.762 4.493 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.945 3.802 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.932 3.346 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.867 5.074 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.406 4.068 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.861 1.631 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.331 2.270 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.742 2.094 5.352 1.00 0.00 H new ATOM 594 N LEU A 38 -15.985 5.563 6.230 1.00 0.00 N ATOM 595 CA LEU A 38 -16.867 5.740 7.309 1.00 0.00 C ATOM 596 C LEU A 38 -18.194 5.190 6.882 1.00 0.00 C ATOM 597 O LEU A 38 -18.781 5.655 5.901 1.00 0.00 O ATOM 598 CB LEU A 38 -16.914 7.261 7.653 1.00 0.00 C ATOM 599 CG LEU A 38 -17.903 7.783 8.733 1.00 0.00 C ATOM 600 CD1 LEU A 38 -19.339 7.847 8.207 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.828 6.932 9.993 1.00 0.00 C ATOM 0 H LEU A 38 -16.208 6.158 5.432 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.555 5.217 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.911 7.555 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.131 7.796 6.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.602 8.800 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.998 8.217 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.383 8.519 7.350 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.660 6.851 7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.529 7.317 10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.085 5.901 9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.816 6.969 10.397 1.00 0.00 H new ATOM 613 N LEU A 39 -18.636 4.184 7.559 1.00 0.00 N ATOM 614 CA LEU A 39 -19.903 3.580 7.263 1.00 0.00 C ATOM 615 C LEU A 39 -20.973 4.519 7.752 1.00 0.00 C ATOM 616 O LEU A 39 -21.131 4.667 8.934 1.00 0.00 O ATOM 617 CB LEU A 39 -20.046 2.229 7.982 1.00 0.00 C ATOM 618 CG LEU A 39 -18.965 1.180 7.717 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.242 -0.089 8.505 1.00 0.00 C ATOM 620 CD2 LEU A 39 -18.851 0.871 6.242 1.00 0.00 C ATOM 0 H LEU A 39 -18.133 3.753 8.335 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.988 3.402 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.077 2.419 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.009 1.799 7.706 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.013 1.594 8.049 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.461 -0.821 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.256 0.140 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.208 -0.497 8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.074 0.122 6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.803 0.488 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.593 1.780 5.699 1.00 0.00 H new ATOM 632 N LYS A 40 -21.678 5.168 6.859 1.00 0.00 N ATOM 633 CA LYS A 40 -22.668 6.164 7.265 1.00 0.00 C ATOM 634 C LYS A 40 -23.805 5.582 8.106 1.00 0.00 C ATOM 635 O LYS A 40 -24.346 6.258 8.974 1.00 0.00 O ATOM 636 CB LYS A 40 -23.210 6.959 6.075 1.00 0.00 C ATOM 637 CG LYS A 40 -23.744 6.120 4.932 1.00 0.00 C ATOM 638 CD LYS A 40 -24.431 6.984 3.894 1.00 0.00 C ATOM 639 CE LYS A 40 -24.899 6.149 2.726 1.00 0.00 C ATOM 640 NZ LYS A 40 -25.787 6.892 1.812 1.00 0.00 N ATOM 0 H LYS A 40 -21.594 5.034 5.851 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.130 6.858 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.007 7.614 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.415 7.601 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -22.926 5.570 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -24.447 5.381 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.281 7.495 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -23.745 7.755 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.032 5.790 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.424 5.270 3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -25.982 6.313 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.681 7.110 2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -25.325 7.778 1.523 1.00 0.00 H new ATOM 654 N GLN A 41 -24.133 4.333 7.873 1.00 0.00 N ATOM 655 CA GLN A 41 -25.201 3.698 8.590 1.00 0.00 C ATOM 656 C GLN A 41 -24.750 3.228 9.983 1.00 0.00 C ATOM 657 O GLN A 41 -25.475 3.373 10.975 1.00 0.00 O ATOM 658 CB GLN A 41 -25.752 2.524 7.777 1.00 0.00 C ATOM 659 CG GLN A 41 -26.899 1.826 8.457 1.00 0.00 C ATOM 660 CD GLN A 41 -27.493 0.694 7.647 1.00 0.00 C ATOM 661 OE1 GLN A 41 -27.076 -0.464 7.760 1.00 0.00 O ATOM 662 NE2 GLN A 41 -28.468 1.009 6.835 1.00 0.00 N ATOM 0 H GLN A 41 -23.669 3.738 7.187 1.00 0.00 H new ATOM 0 HA GLN A 41 -25.992 4.433 8.736 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -26.080 2.886 6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.952 1.806 7.597 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.557 1.434 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -27.680 2.555 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -28.785 1.976 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -28.912 0.287 6.267 1.00 0.00 H new ATOM 671 N ASP A 42 -23.560 2.701 10.067 1.00 0.00 N ATOM 672 CA ASP A 42 -23.093 2.124 11.329 1.00 0.00 C ATOM 673 C ASP A 42 -22.275 3.134 12.135 1.00 0.00 C ATOM 674 O ASP A 42 -22.201 3.062 13.356 1.00 0.00 O ATOM 675 CB ASP A 42 -22.269 0.873 11.050 1.00 0.00 C ATOM 676 CG ASP A 42 -22.014 0.048 12.288 1.00 0.00 C ATOM 677 OD1 ASP A 42 -21.003 0.260 12.966 1.00 0.00 O ATOM 678 OD2 ASP A 42 -22.821 -0.866 12.579 1.00 0.00 O ATOM 0 H ASP A 42 -22.893 2.652 9.297 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.965 1.855 11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -22.787 0.260 10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.315 1.163 10.610 1.00 0.00 H new ATOM 683 N ASN A 43 -21.688 4.084 11.423 1.00 0.00 N ATOM 684 CA ASN A 43 -20.838 5.161 11.966 1.00 0.00 C ATOM 685 C ASN A 43 -19.458 4.679 12.384 1.00 0.00 C ATOM 686 O ASN A 43 -18.767 5.330 13.172 1.00 0.00 O ATOM 687 CB ASN A 43 -21.521 6.001 13.069 1.00 0.00 C ATOM 688 CG ASN A 43 -22.587 6.936 12.523 1.00 0.00 C ATOM 689 OD1 ASN A 43 -22.284 8.055 12.104 1.00 0.00 O ATOM 690 ND2 ASN A 43 -23.830 6.523 12.555 1.00 0.00 N ATOM 0 H ASN A 43 -21.788 4.138 10.409 1.00 0.00 H new ATOM 0 HA ASN A 43 -20.689 5.841 11.127 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.972 5.332 13.802 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -20.766 6.586 13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -24.579 7.133 12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.049 5.591 12.907 1.00 0.00 H new ATOM 697 N THR A 44 -19.037 3.581 11.824 1.00 0.00 N ATOM 698 CA THR A 44 -17.729 3.050 12.075 1.00 0.00 C ATOM 699 C THR A 44 -16.788 3.308 10.914 1.00 0.00 C ATOM 700 O THR A 44 -17.221 3.398 9.753 1.00 0.00 O ATOM 701 CB THR A 44 -17.815 1.574 12.384 1.00 0.00 C ATOM 702 OG1 THR A 44 -18.913 1.001 11.646 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.011 1.375 13.862 1.00 0.00 C ATOM 0 H THR A 44 -19.596 3.026 11.176 1.00 0.00 H new ATOM 0 HA THR A 44 -17.318 3.565 12.943 1.00 0.00 H new ATOM 0 HB THR A 44 -16.890 1.078 12.089 1.00 0.00 H new ATOM 0 HG1 THR A 44 -19.744 1.116 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.073 0.309 14.081 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.169 1.808 14.402 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.934 1.864 14.176 1.00 0.00 H new ATOM 711 N THR A 45 -15.528 3.438 11.214 1.00 0.00 N ATOM 712 CA THR A 45 -14.555 3.764 10.222 1.00 0.00 C ATOM 713 C THR A 45 -13.517 2.633 10.125 1.00 0.00 C ATOM 714 O THR A 45 -13.286 1.916 11.096 1.00 0.00 O ATOM 715 CB THR A 45 -13.847 5.070 10.616 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.814 5.992 11.167 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.215 5.720 9.409 1.00 0.00 C ATOM 0 H THR A 45 -15.150 3.320 12.154 1.00 0.00 H new ATOM 0 HA THR A 45 -15.048 3.888 9.258 1.00 0.00 H new ATOM 0 HB THR A 45 -13.075 4.833 11.348 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.364 6.825 11.421 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.719 6.643 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.483 5.041 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.986 5.946 8.672 1.00 0.00 H new ATOM 725 N GLN A 46 -12.931 2.478 8.956 1.00 0.00 N ATOM 726 CA GLN A 46 -11.891 1.490 8.704 1.00 0.00 C ATOM 727 C GLN A 46 -11.069 1.911 7.498 1.00 0.00 C ATOM 728 O GLN A 46 -11.519 2.731 6.703 1.00 0.00 O ATOM 729 CB GLN A 46 -12.439 0.044 8.472 1.00 0.00 C ATOM 730 CG GLN A 46 -13.405 -0.141 7.293 1.00 0.00 C ATOM 731 CD GLN A 46 -14.861 0.056 7.667 1.00 0.00 C ATOM 732 OE1 GLN A 46 -15.353 1.249 7.567 1.00 0.00 O flip ATOM 733 NE2 GLN A 46 -15.546 -0.898 8.046 1.00 0.00 N flip ATOM 0 H GLN A 46 -13.164 3.042 8.138 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.278 1.454 9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.590 -0.623 8.325 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.945 -0.279 9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.142 0.564 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.276 -1.142 6.882 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.132 -1.828 8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.526 -0.757 8.290 1.00 0.00 H new ATOM 742 N LEU A 47 -9.900 1.339 7.373 1.00 0.00 N ATOM 743 CA LEU A 47 -9.000 1.552 6.264 1.00 0.00 C ATOM 744 C LEU A 47 -8.909 0.263 5.503 1.00 0.00 C ATOM 745 O LEU A 47 -8.235 -0.688 5.939 1.00 0.00 O ATOM 746 CB LEU A 47 -7.595 1.930 6.755 1.00 0.00 C ATOM 747 CG LEU A 47 -7.339 3.371 7.206 1.00 0.00 C ATOM 748 CD1 LEU A 47 -6.017 3.435 7.927 1.00 0.00 C ATOM 749 CD2 LEU A 47 -7.278 4.307 6.006 1.00 0.00 C ATOM 0 H LEU A 47 -9.533 0.687 8.066 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.377 2.365 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.348 1.273 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.892 1.704 5.953 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.153 3.679 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.828 4.459 8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.045 2.778 8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.220 3.114 7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.095 5.326 6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.470 3.997 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.225 4.270 5.467 1.00 0.00 H new ATOM 761 N VAL A 48 -9.586 0.198 4.414 1.00 0.00 N ATOM 762 CA VAL A 48 -9.629 -1.007 3.625 1.00 0.00 C ATOM 763 C VAL A 48 -9.048 -0.767 2.263 1.00 0.00 C ATOM 764 O VAL A 48 -8.761 0.362 1.909 1.00 0.00 O ATOM 765 CB VAL A 48 -11.055 -1.584 3.523 1.00 0.00 C ATOM 766 CG1 VAL A 48 -11.501 -2.107 4.881 1.00 0.00 C ATOM 767 CG2 VAL A 48 -12.023 -0.527 3.021 1.00 0.00 C ATOM 0 H VAL A 48 -10.130 0.972 4.033 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.020 -1.753 4.136 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.049 -2.409 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.509 -2.513 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.819 -2.891 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.494 -1.292 5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.024 -0.952 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.031 0.316 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.709 -0.185 2.035 1.00 0.00 H new ATOM 777 N GLN A 49 -8.889 -1.806 1.505 1.00 0.00 N ATOM 778 CA GLN A 49 -8.236 -1.698 0.229 1.00 0.00 C ATOM 779 C GLN A 49 -9.203 -1.274 -0.873 1.00 0.00 C ATOM 780 O GLN A 49 -10.418 -1.455 -0.758 1.00 0.00 O ATOM 781 CB GLN A 49 -7.536 -3.005 -0.123 1.00 0.00 C ATOM 782 CG GLN A 49 -8.459 -4.194 -0.269 1.00 0.00 C ATOM 783 CD GLN A 49 -7.712 -5.484 -0.497 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.431 -5.866 -1.630 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.399 -6.169 0.560 1.00 0.00 N ATOM 0 H GLN A 49 -9.203 -2.746 1.745 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.483 -0.914 0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.989 -2.869 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.799 -3.226 0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.071 -4.287 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.140 -4.021 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.648 -5.821 1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.903 -7.055 0.465 1.00 0.00 H new ATOM 794 N ASP A 50 -8.637 -0.788 -1.965 1.00 0.00 N ATOM 795 CA ASP A 50 -9.385 -0.255 -3.124 1.00 0.00 C ATOM 796 C ASP A 50 -10.204 -1.346 -3.794 1.00 0.00 C ATOM 797 O ASP A 50 -11.176 -1.075 -4.474 1.00 0.00 O ATOM 798 CB ASP A 50 -8.416 0.330 -4.175 1.00 0.00 C ATOM 799 CG ASP A 50 -7.650 -0.747 -4.940 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.709 -1.339 -4.382 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.999 -1.040 -6.102 1.00 0.00 O ATOM 0 H ASP A 50 -7.625 -0.746 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.047 0.525 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.979 0.940 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.706 0.991 -3.679 1.00 0.00 H new ATOM 806 N ASP A 51 -9.829 -2.579 -3.548 1.00 0.00 N ATOM 807 CA ASP A 51 -10.453 -3.728 -4.188 1.00 0.00 C ATOM 808 C ASP A 51 -11.778 -4.031 -3.508 1.00 0.00 C ATOM 809 O ASP A 51 -12.683 -4.619 -4.090 1.00 0.00 O ATOM 810 CB ASP A 51 -9.499 -4.929 -4.102 1.00 0.00 C ATOM 811 CG ASP A 51 -9.977 -6.157 -4.848 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.713 -6.267 -6.063 1.00 0.00 O ATOM 813 OD2 ASP A 51 -10.565 -7.055 -4.220 1.00 0.00 O ATOM 0 H ASP A 51 -9.081 -2.821 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.651 -3.514 -5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.526 -4.635 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.353 -5.189 -3.053 1.00 0.00 H new ATOM 818 N GLN A 52 -11.893 -3.566 -2.285 1.00 0.00 N ATOM 819 CA GLN A 52 -13.082 -3.756 -1.476 1.00 0.00 C ATOM 820 C GLN A 52 -13.946 -2.520 -1.545 1.00 0.00 C ATOM 821 O GLN A 52 -15.080 -2.511 -1.099 1.00 0.00 O ATOM 822 CB GLN A 52 -12.675 -4.023 -0.038 1.00 0.00 C ATOM 823 CG GLN A 52 -11.859 -5.281 0.112 1.00 0.00 C ATOM 824 CD GLN A 52 -11.306 -5.470 1.500 1.00 0.00 C ATOM 825 OE1 GLN A 52 -11.017 -4.508 2.201 1.00 0.00 O ATOM 826 NE2 GLN A 52 -11.139 -6.699 1.901 1.00 0.00 N ATOM 0 H GLN A 52 -11.157 -3.039 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.649 -4.607 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.100 -3.176 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.570 -4.099 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.478 -6.140 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.034 -5.258 -0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.392 -7.474 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.756 -6.885 2.828 1.00 0.00 H new ATOM 835 N VAL A 53 -13.385 -1.479 -2.084 1.00 0.00 N ATOM 836 CA VAL A 53 -14.081 -0.218 -2.230 1.00 0.00 C ATOM 837 C VAL A 53 -14.655 -0.056 -3.625 1.00 0.00 C ATOM 838 O VAL A 53 -13.929 0.071 -4.611 1.00 0.00 O ATOM 839 CB VAL A 53 -13.177 0.982 -1.861 1.00 0.00 C ATOM 840 CG1 VAL A 53 -13.865 2.310 -2.158 1.00 0.00 C ATOM 841 CG2 VAL A 53 -12.836 0.909 -0.398 1.00 0.00 C ATOM 0 H VAL A 53 -12.429 -1.472 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.914 -0.232 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.271 0.930 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.202 3.132 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.100 2.368 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -14.786 2.380 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.199 1.752 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.752 0.945 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.310 -0.023 -0.193 1.00 0.00 H new ATOM 851 N LYS A 54 -15.942 -0.086 -3.697 1.00 0.00 N ATOM 852 CA LYS A 54 -16.651 0.076 -4.951 1.00 0.00 C ATOM 853 C LYS A 54 -17.132 1.505 -5.100 1.00 0.00 C ATOM 854 O LYS A 54 -18.090 1.913 -4.439 1.00 0.00 O ATOM 855 CB LYS A 54 -17.861 -0.862 -5.035 1.00 0.00 C ATOM 856 CG LYS A 54 -17.547 -2.339 -4.926 1.00 0.00 C ATOM 857 CD LYS A 54 -16.542 -2.764 -5.975 1.00 0.00 C ATOM 858 CE LYS A 54 -16.410 -4.271 -6.040 1.00 0.00 C ATOM 859 NZ LYS A 54 -17.668 -4.908 -6.491 1.00 0.00 N ATOM 0 H LYS A 54 -16.550 -0.224 -2.890 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.955 -0.171 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.560 -0.597 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.371 -0.685 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.154 -2.558 -3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.463 -2.918 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.848 -2.382 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -15.571 -2.322 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.602 -4.537 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.138 -4.656 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.463 -5.857 -6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.325 -4.985 -5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.101 -4.330 -7.239 1.00 0.00 H new ATOM 873 N GLY A 55 -16.458 2.264 -5.916 1.00 0.00 N ATOM 874 CA GLY A 55 -16.872 3.620 -6.158 1.00 0.00 C ATOM 875 C GLY A 55 -15.698 4.576 -6.262 1.00 0.00 C ATOM 876 O GLY A 55 -14.545 4.143 -6.142 1.00 0.00 O ATOM 0 H GLY A 55 -15.623 1.971 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.452 3.660 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.531 3.945 -5.352 1.00 0.00 H new ATOM 880 N PRO A 56 -15.959 5.872 -6.511 1.00 0.00 N ATOM 881 CA PRO A 56 -14.909 6.896 -6.660 1.00 0.00 C ATOM 882 C PRO A 56 -14.065 7.102 -5.409 1.00 0.00 C ATOM 883 O PRO A 56 -14.572 7.143 -4.280 1.00 0.00 O ATOM 884 CB PRO A 56 -15.676 8.189 -6.950 1.00 0.00 C ATOM 885 CG PRO A 56 -17.078 7.926 -6.523 1.00 0.00 C ATOM 886 CD PRO A 56 -17.306 6.444 -6.690 1.00 0.00 C ATOM 0 HA PRO A 56 -14.209 6.593 -7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.250 9.029 -6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.630 8.443 -8.009 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.231 8.228 -5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.782 8.497 -7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.008 6.059 -5.950 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -17.716 6.208 -7.672 1.00 0.00 H new ATOM 894 N LEU A 57 -12.796 7.284 -5.617 1.00 0.00 N ATOM 895 CA LEU A 57 -11.880 7.530 -4.544 1.00 0.00 C ATOM 896 C LEU A 57 -11.811 9.021 -4.308 1.00 0.00 C ATOM 897 O LEU A 57 -10.970 9.726 -4.867 1.00 0.00 O ATOM 898 CB LEU A 57 -10.475 6.927 -4.841 1.00 0.00 C ATOM 899 CG LEU A 57 -10.362 5.378 -4.954 1.00 0.00 C ATOM 900 CD1 LEU A 57 -10.984 4.686 -3.755 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.935 4.836 -6.265 1.00 0.00 C ATOM 0 H LEU A 57 -12.364 7.266 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.236 7.036 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.115 7.359 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.795 7.257 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.296 5.149 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.887 3.606 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.473 5.003 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.039 4.951 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.829 3.751 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.990 5.099 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.395 5.271 -7.106 1.00 0.00 H new ATOM 913 N ARG A 58 -12.779 9.501 -3.565 1.00 0.00 N ATOM 914 CA ARG A 58 -12.890 10.895 -3.193 1.00 0.00 C ATOM 915 C ARG A 58 -13.339 11.022 -1.780 1.00 0.00 C ATOM 916 O ARG A 58 -14.270 10.343 -1.367 1.00 0.00 O ATOM 917 CB ARG A 58 -13.852 11.652 -4.102 1.00 0.00 C ATOM 918 CG ARG A 58 -13.303 11.988 -5.469 1.00 0.00 C ATOM 919 CD ARG A 58 -14.359 12.646 -6.325 1.00 0.00 C ATOM 920 NE ARG A 58 -14.964 13.822 -5.672 1.00 0.00 N ATOM 921 CZ ARG A 58 -16.105 14.398 -6.066 1.00 0.00 C ATOM 922 NH1 ARG A 58 -16.683 14.020 -7.205 1.00 0.00 N ATOM 923 NH2 ARG A 58 -16.642 15.372 -5.341 1.00 0.00 N ATOM 0 H ARG A 58 -13.531 8.921 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.900 11.336 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.757 11.057 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.145 12.578 -3.606 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.445 12.652 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.948 11.080 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.916 12.949 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.139 11.921 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.481 14.222 -4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.255 13.291 -7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.553 14.459 -7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.184 15.681 -4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.512 15.811 -5.642 1.00 0.00 H new ATOM 937 N VAL A 59 -12.698 11.882 -1.035 1.00 0.00 N ATOM 938 CA VAL A 59 -13.095 12.125 0.326 1.00 0.00 C ATOM 939 C VAL A 59 -14.464 12.790 0.316 1.00 0.00 C ATOM 940 O VAL A 59 -14.650 13.862 -0.272 1.00 0.00 O ATOM 941 CB VAL A 59 -12.061 12.994 1.098 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.483 13.180 2.551 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.689 12.346 1.042 1.00 0.00 C ATOM 0 H VAL A 59 -11.896 12.428 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.142 11.172 0.852 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.018 13.973 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.744 13.791 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.453 13.675 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.554 12.207 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.973 12.963 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.735 11.357 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.373 12.253 0.003 1.00 0.00 H new ATOM 953 N GLY A 60 -15.411 12.128 0.907 1.00 0.00 N ATOM 954 CA GLY A 60 -16.759 12.611 0.911 1.00 0.00 C ATOM 955 C GLY A 60 -17.625 11.920 -0.127 1.00 0.00 C ATOM 956 O GLY A 60 -18.785 12.300 -0.321 1.00 0.00 O ATOM 0 H GLY A 60 -15.274 11.244 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.193 12.461 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.758 13.685 0.723 1.00 0.00 H new ATOM 960 N ALA A 61 -17.093 10.904 -0.798 1.00 0.00 N ATOM 961 CA ALA A 61 -17.875 10.214 -1.814 1.00 0.00 C ATOM 962 C ALA A 61 -18.518 8.973 -1.239 1.00 0.00 C ATOM 963 O ALA A 61 -18.044 8.437 -0.232 1.00 0.00 O ATOM 964 CB ALA A 61 -17.040 9.882 -3.043 1.00 0.00 C ATOM 0 H ALA A 61 -16.147 10.548 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.665 10.891 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.661 9.368 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.651 10.803 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.209 9.238 -2.755 1.00 0.00 H new ATOM 970 N ILE A 62 -19.598 8.542 -1.850 1.00 0.00 N ATOM 971 CA ILE A 62 -20.319 7.372 -1.414 1.00 0.00 C ATOM 972 C ILE A 62 -19.866 6.173 -2.223 1.00 0.00 C ATOM 973 O ILE A 62 -20.031 6.122 -3.457 1.00 0.00 O ATOM 974 CB ILE A 62 -21.864 7.540 -1.560 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.362 8.773 -0.788 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.606 6.280 -1.095 1.00 0.00 C ATOM 977 CD1 ILE A 62 -22.076 8.747 0.698 1.00 0.00 C ATOM 0 H ILE A 62 -20.002 8.998 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 62 -20.102 7.226 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 62 -22.079 7.689 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.902 9.663 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.438 8.867 -0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.680 6.427 -1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.291 5.429 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.375 6.088 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.463 9.656 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.559 7.879 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -21.000 8.688 0.860 1.00 0.00 H new ATOM 989 N VAL A 63 -19.300 5.243 -1.549 1.00 0.00 N ATOM 990 CA VAL A 63 -18.814 4.038 -2.147 1.00 0.00 C ATOM 991 C VAL A 63 -19.395 2.884 -1.422 1.00 0.00 C ATOM 992 O VAL A 63 -20.018 3.057 -0.408 1.00 0.00 O ATOM 993 CB VAL A 63 -17.274 3.931 -2.071 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.636 5.013 -2.892 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.789 3.999 -0.619 1.00 0.00 C ATOM 0 H VAL A 63 -19.154 5.291 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.104 4.044 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.979 2.964 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.551 4.926 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.949 4.913 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.944 5.987 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.702 3.921 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.095 4.947 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.224 3.177 -0.051 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.217 1.737 -1.932 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.627 0.561 -1.233 1.00 0.00 C ATOM 1007 C GLU A 64 -18.417 -0.199 -0.854 1.00 0.00 C ATOM 1008 O GLU A 64 -17.615 -0.554 -1.695 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.578 -0.270 -2.040 1.00 0.00 C ATOM 1010 CG GLU A 64 -21.900 0.406 -2.254 1.00 0.00 C ATOM 1011 CD GLU A 64 -22.790 -0.414 -3.144 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.390 -1.403 -2.670 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -22.863 -0.123 -4.355 1.00 0.00 O ATOM 0 H GLU A 64 -18.786 1.569 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.175 0.846 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.128 -0.493 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -20.739 -1.223 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.390 0.566 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.742 1.388 -2.699 1.00 0.00 H new ATOM 1020 N THR A 65 -18.263 -0.413 0.387 1.00 0.00 N ATOM 1021 CA THR A 65 -17.091 -1.033 0.877 1.00 0.00 C ATOM 1022 C THR A 65 -17.445 -2.315 1.585 1.00 0.00 C ATOM 1023 O THR A 65 -18.593 -2.505 2.029 1.00 0.00 O ATOM 1024 CB THR A 65 -16.328 -0.073 1.810 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.117 -0.665 2.273 1.00 0.00 O ATOM 1026 CG2 THR A 65 -17.194 0.317 2.983 1.00 0.00 C ATOM 0 H THR A 65 -18.946 -0.164 1.103 1.00 0.00 H new ATOM 0 HA THR A 65 -16.437 -1.275 0.039 1.00 0.00 H new ATOM 0 HB THR A 65 -16.076 0.822 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.494 -0.764 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.642 0.995 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 65 -18.094 0.814 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.472 -0.576 3.543 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.490 -3.176 1.675 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.666 -4.465 2.273 1.00 0.00 C ATOM 1036 C ARG A 66 -16.558 -4.349 3.787 1.00 0.00 C ATOM 1037 O ARG A 66 -15.579 -3.815 4.305 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.586 -5.398 1.770 1.00 0.00 C ATOM 1039 CG ARG A 66 -15.848 -6.864 2.054 1.00 0.00 C ATOM 1040 CD ARG A 66 -14.697 -7.723 1.573 1.00 0.00 C ATOM 1041 NE ARG A 66 -14.996 -9.160 1.660 1.00 0.00 N ATOM 1042 CZ ARG A 66 -14.325 -10.044 2.413 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -13.465 -9.631 3.345 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -14.550 -11.342 2.265 1.00 0.00 N ATOM 0 H ARG A 66 -15.545 -3.005 1.330 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.649 -4.855 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.477 -5.262 0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.637 -5.115 2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.994 -7.011 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.769 -7.175 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.462 -7.465 0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.810 -7.503 2.167 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.775 -9.512 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.312 -8.633 3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.961 -10.313 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.232 -11.666 1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.041 -12.016 2.836 1.00 0.00 H new ATOM 1058 N THR A 67 -17.548 -4.828 4.483 1.00 0.00 N ATOM 1059 CA THR A 67 -17.519 -4.832 5.923 1.00 0.00 C ATOM 1060 C THR A 67 -16.892 -6.150 6.409 1.00 0.00 C ATOM 1061 O THR A 67 -16.458 -6.982 5.579 1.00 0.00 O ATOM 1062 CB THR A 67 -18.938 -4.688 6.493 1.00 0.00 C ATOM 1063 OG1 THR A 67 -19.762 -5.749 5.991 1.00 0.00 O ATOM 1064 CG2 THR A 67 -19.547 -3.344 6.104 1.00 0.00 C ATOM 0 H THR A 67 -18.394 -5.225 4.075 1.00 0.00 H new ATOM 0 HA THR A 67 -16.923 -3.988 6.270 1.00 0.00 H new ATOM 0 HB THR A 67 -18.883 -4.741 7.580 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.162 -5.477 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 67 -20.552 -3.266 6.519 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.928 -2.537 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.597 -3.268 5.018 1.00 0.00 H new ATOM 1072 N SER A 68 -16.854 -6.368 7.713 1.00 0.00 N ATOM 1073 CA SER A 68 -16.270 -7.580 8.266 1.00 0.00 C ATOM 1074 C SER A 68 -17.094 -8.830 7.910 1.00 0.00 C ATOM 1075 O SER A 68 -16.552 -9.929 7.789 1.00 0.00 O ATOM 1076 CB SER A 68 -16.111 -7.440 9.776 1.00 0.00 C ATOM 1077 OG SER A 68 -15.326 -6.288 10.088 1.00 0.00 O ATOM 0 H SER A 68 -17.221 -5.720 8.410 1.00 0.00 H new ATOM 0 HA SER A 68 -15.285 -7.713 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.091 -7.358 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.636 -8.333 10.183 1.00 0.00 H new ATOM 0 HG SER A 68 -15.233 -6.209 11.060 1.00 0.00 H new ATOM 1083 N ASP A 69 -18.398 -8.642 7.673 1.00 0.00 N ATOM 1084 CA ASP A 69 -19.298 -9.763 7.329 1.00 0.00 C ATOM 1085 C ASP A 69 -19.155 -10.131 5.863 1.00 0.00 C ATOM 1086 O ASP A 69 -19.760 -11.099 5.378 1.00 0.00 O ATOM 1087 CB ASP A 69 -20.771 -9.415 7.591 1.00 0.00 C ATOM 1088 CG ASP A 69 -21.080 -9.070 9.023 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -21.308 -9.981 9.838 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -21.139 -7.866 9.345 1.00 0.00 O ATOM 0 H ASP A 69 -18.857 -7.732 7.711 1.00 0.00 H new ATOM 0 HA ASP A 69 -19.009 -10.601 7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -21.052 -8.573 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -21.391 -10.260 7.291 1.00 0.00 H new ATOM 1095 N GLY A 70 -18.397 -9.331 5.143 1.00 0.00 N ATOM 1096 CA GLY A 70 -18.186 -9.561 3.735 1.00 0.00 C ATOM 1097 C GLY A 70 -19.161 -8.773 2.893 1.00 0.00 C ATOM 1098 O GLY A 70 -18.934 -8.550 1.706 1.00 0.00 O ATOM 0 H GLY A 70 -17.916 -8.512 5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.166 -9.283 3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.293 -10.624 3.519 1.00 0.00 H new ATOM 1102 N SER A 71 -20.232 -8.341 3.514 1.00 0.00 N ATOM 1103 CA SER A 71 -21.265 -7.593 2.854 1.00 0.00 C ATOM 1104 C SER A 71 -20.779 -6.181 2.556 1.00 0.00 C ATOM 1105 O SER A 71 -20.042 -5.586 3.356 1.00 0.00 O ATOM 1106 CB SER A 71 -22.484 -7.548 3.765 1.00 0.00 C ATOM 1107 OG SER A 71 -22.813 -8.859 4.207 1.00 0.00 O ATOM 0 H SER A 71 -20.409 -8.503 4.505 1.00 0.00 H new ATOM 0 HA SER A 71 -21.526 -8.071 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.283 -6.906 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 71 -23.330 -7.113 3.233 1.00 0.00 H new ATOM 0 HG SER A 71 -23.597 -8.819 4.794 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.149 -5.666 1.426 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.780 -4.327 1.064 1.00 0.00 C ATOM 1115 C PHE A 72 -21.839 -3.358 1.554 1.00 0.00 C ATOM 1116 O PHE A 72 -23.035 -3.610 1.400 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.570 -4.200 -0.457 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.361 -4.943 -0.989 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.363 -6.327 -1.116 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.220 -4.251 -1.360 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.257 -6.998 -1.600 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.111 -4.919 -1.845 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.129 -6.294 -1.966 1.00 0.00 C ATOM 0 H PHE A 72 -21.712 -6.155 0.730 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.831 -4.082 1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.460 -4.569 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.472 -3.144 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.242 -6.886 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.196 -3.175 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.276 -8.074 -1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.229 -4.364 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.263 -6.816 -2.346 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.419 -2.294 2.171 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.329 -1.280 2.676 1.00 0.00 C ATOM 1135 C GLN A 73 -21.907 0.033 2.060 1.00 0.00 C ATOM 1136 O GLN A 73 -20.705 0.225 1.799 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.233 -1.186 4.214 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.347 -0.370 4.871 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.172 -0.203 6.376 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -22.589 0.773 6.843 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -23.658 -1.156 7.137 1.00 0.00 N ATOM 0 H GLN A 73 -20.434 -2.094 2.345 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.359 -1.527 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.246 -2.194 4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.272 -0.745 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.387 0.615 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.304 -0.854 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.136 -1.952 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.557 -1.101 8.151 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.847 0.913 1.786 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.485 2.187 1.236 1.00 0.00 C ATOM 1152 C GLU A 74 -21.952 3.108 2.318 1.00 0.00 C ATOM 1153 O GLU A 74 -22.630 3.445 3.298 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.565 2.822 0.341 1.00 0.00 C ATOM 1155 CG GLU A 74 -24.915 3.027 0.975 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.900 3.642 0.012 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -26.551 2.898 -0.745 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -26.063 4.886 0.010 1.00 0.00 O ATOM 0 H GLU A 74 -23.846 0.768 1.934 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.668 2.009 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -23.199 3.788 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.692 2.194 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -25.300 2.070 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -24.812 3.670 1.849 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.731 3.455 2.138 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.954 4.224 3.081 1.00 0.00 C ATOM 1167 C ALA A 75 -19.380 5.462 2.428 1.00 0.00 C ATOM 1168 O ALA A 75 -19.506 5.643 1.218 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.836 3.369 3.621 1.00 0.00 C ATOM 0 H ALA A 75 -20.209 3.208 1.297 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.607 4.539 3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.247 3.947 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.255 2.495 4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.196 3.045 2.800 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.752 6.307 3.221 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.188 7.554 2.711 1.00 0.00 C ATOM 1177 C ILE A 76 -16.676 7.528 2.903 1.00 0.00 C ATOM 1178 O ILE A 76 -16.200 6.978 3.889 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.724 8.770 3.508 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.228 8.631 3.782 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.443 10.063 2.740 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.783 9.688 4.701 1.00 0.00 C ATOM 0 H ILE A 76 -18.616 6.159 4.221 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.464 7.645 1.660 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.208 8.805 4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.765 8.670 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.419 7.650 4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.823 10.913 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.368 10.174 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.937 10.024 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.850 9.521 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.275 9.637 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.626 10.672 4.260 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.925 8.093 1.979 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.478 8.189 2.158 1.00 0.00 C ATOM 1196 C ILE A 77 -14.164 9.332 3.120 1.00 0.00 C ATOM 1197 O ILE A 77 -14.609 10.461 2.921 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.660 8.407 0.829 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.820 7.261 -0.165 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.178 8.616 1.106 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.130 7.226 -0.862 1.00 0.00 C ATOM 0 H ILE A 77 -16.279 8.489 1.108 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.166 7.222 2.553 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.079 9.308 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.028 7.331 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.679 6.318 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.649 8.763 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.046 9.495 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.776 7.740 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.154 6.380 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.930 7.122 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.269 8.151 -1.422 1.00 0.00 H new ATOM 1213 N SER A 78 -13.431 9.034 4.147 1.00 0.00 N ATOM 1214 CA SER A 78 -13.026 10.002 5.128 1.00 0.00 C ATOM 1215 C SER A 78 -11.545 10.399 4.881 1.00 0.00 C ATOM 1216 O SER A 78 -11.092 11.466 5.307 1.00 0.00 O ATOM 1217 CB SER A 78 -13.229 9.400 6.539 1.00 0.00 C ATOM 1218 OG SER A 78 -13.010 10.348 7.570 1.00 0.00 O ATOM 0 H SER A 78 -13.088 8.092 4.334 1.00 0.00 H new ATOM 0 HA SER A 78 -13.631 10.905 5.050 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.242 9.007 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.549 8.559 6.673 1.00 0.00 H new ATOM 0 HG SER A 78 -13.151 9.922 8.441 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.811 9.540 4.174 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.402 9.763 3.832 1.00 0.00 C ATOM 1226 C LYS A 79 -8.975 8.649 2.907 1.00 0.00 C ATOM 1227 O LYS A 79 -9.571 7.581 2.931 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.484 9.734 5.093 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.036 10.154 4.799 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.163 10.233 6.043 1.00 0.00 C ATOM 1231 CE LYS A 79 -6.017 8.902 6.754 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.118 9.023 7.915 1.00 0.00 N ATOM 0 H LYS A 79 -11.180 8.659 3.817 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.306 10.745 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.900 10.396 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.485 8.728 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.595 9.444 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.041 11.126 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.175 10.599 5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.589 10.962 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.995 8.551 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.626 8.156 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.033 8.100 8.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.179 9.336 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.506 9.718 8.584 1.00 0.00 H new ATOM 1246 N LEU A 80 -8.009 8.892 2.083 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.436 7.854 1.282 1.00 0.00 C ATOM 1248 C LEU A 80 -5.916 7.842 1.390 1.00 0.00 C ATOM 1249 O LEU A 80 -5.235 8.806 1.045 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.994 7.794 -0.175 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.356 9.104 -0.909 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.174 10.032 -1.076 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.915 8.775 -2.261 1.00 0.00 C ATOM 0 H LEU A 80 -7.593 9.813 1.944 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.770 6.906 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.257 7.272 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.890 7.173 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.092 9.623 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.491 10.935 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.780 10.300 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.398 9.532 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.172 9.697 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.171 8.226 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.809 8.162 -2.146 1.00 0.00 H new ATOM 1265 N THR A 81 -5.407 6.779 1.933 1.00 0.00 N ATOM 1266 CA THR A 81 -3.997 6.613 2.184 1.00 0.00 C ATOM 1267 C THR A 81 -3.417 5.634 1.157 1.00 0.00 C ATOM 1268 O THR A 81 -3.905 4.525 1.031 1.00 0.00 O ATOM 1269 CB THR A 81 -3.836 6.040 3.610 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.529 6.887 4.544 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.375 5.934 4.016 1.00 0.00 C ATOM 0 H THR A 81 -5.970 5.979 2.223 1.00 0.00 H new ATOM 0 HA THR A 81 -3.470 7.564 2.100 1.00 0.00 H new ATOM 0 HB THR A 81 -4.260 5.036 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.320 6.420 4.884 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.306 5.527 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.852 5.276 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.918 6.923 3.992 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.398 6.033 0.425 1.00 0.00 N ATOM 1280 CA ASP A 82 -1.845 5.148 -0.599 1.00 0.00 C ATOM 1281 C ASP A 82 -1.017 4.075 0.060 1.00 0.00 C ATOM 1282 O ASP A 82 -0.166 4.372 0.916 1.00 0.00 O ATOM 1283 CB ASP A 82 -0.978 5.896 -1.603 1.00 0.00 C ATOM 1284 CG ASP A 82 -0.745 5.083 -2.871 1.00 0.00 C ATOM 1285 OD1 ASP A 82 0.026 4.091 -2.864 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -1.365 5.421 -3.894 1.00 0.00 O ATOM 0 H ASP A 82 -1.939 6.940 0.510 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.684 4.712 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.455 6.842 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.019 6.137 -1.145 1.00 0.00 H new ATOM 1291 N ALA A 83 -1.262 2.853 -0.310 1.00 0.00 N ATOM 1292 CA ALA A 83 -0.563 1.739 0.256 1.00 0.00 C ATOM 1293 C ALA A 83 0.149 0.997 -0.841 1.00 0.00 C ATOM 1294 O ALA A 83 1.372 1.055 -0.947 1.00 0.00 O ATOM 1295 CB ALA A 83 -1.538 0.829 0.977 1.00 0.00 C ATOM 0 H ALA A 83 -1.954 2.601 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 83 0.171 2.091 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.999 -0.016 1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.033 1.384 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.284 0.464 0.272 1.00 0.00 H new ATOM 1301 N SER A 84 -0.642 0.380 -1.695 1.00 0.00 N ATOM 1302 CA SER A 84 -0.192 -0.399 -2.816 1.00 0.00 C ATOM 1303 C SER A 84 0.532 -1.707 -2.405 1.00 0.00 C ATOM 1304 O SER A 84 1.174 -1.794 -1.353 1.00 0.00 O ATOM 1305 CB SER A 84 0.631 0.479 -3.773 1.00 0.00 C ATOM 1306 OG SER A 84 -0.138 1.623 -4.188 1.00 0.00 O ATOM 0 H SER A 84 -1.659 0.413 -1.618 1.00 0.00 H new ATOM 0 HA SER A 84 -1.074 -0.744 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.546 0.807 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.930 -0.103 -4.645 1.00 0.00 H new ATOM 0 HG SER A 84 0.060 2.381 -3.599 1.00 0.00 H new ATOM 1312 N TRP A 85 0.345 -2.731 -3.200 1.00 0.00 N ATOM 1313 CA TRP A 85 1.025 -3.992 -2.990 1.00 0.00 C ATOM 1314 C TRP A 85 2.248 -4.037 -3.844 1.00 0.00 C ATOM 1315 O TRP A 85 2.196 -3.680 -5.034 1.00 0.00 O ATOM 1316 CB TRP A 85 0.168 -5.213 -3.338 1.00 0.00 C ATOM 1317 CG TRP A 85 -0.921 -5.570 -2.375 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -2.203 -5.883 -2.693 1.00 0.00 C ATOM 1319 CD2 TRP A 85 -0.823 -5.686 -0.941 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -2.907 -6.200 -1.561 1.00 0.00 N ATOM 1321 CE2 TRP A 85 -2.089 -6.076 -0.474 1.00 0.00 C ATOM 1322 CE3 TRP A 85 0.209 -5.499 -0.007 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 -2.357 -6.286 0.873 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 -0.060 -5.706 1.328 1.00 0.00 C ATOM 1325 CH2 TRP A 85 -1.333 -6.094 1.755 1.00 0.00 C ATOM 0 H TRP A 85 -0.278 -2.718 -4.007 1.00 0.00 H new ATOM 0 HA TRP A 85 1.261 -4.041 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.285 -5.043 -4.315 1.00 0.00 H new ATOM 0 HB3 TRP A 85 0.829 -6.074 -3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -2.609 -5.882 -3.694 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -3.886 -6.484 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 85 1.195 -5.199 -0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -3.337 -6.589 1.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 0.725 -5.566 2.056 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -1.511 -6.246 2.809 1.00 0.00 H new ATOM 1336 N TYR A 86 3.334 -4.451 -3.263 1.00 0.00 N ATOM 1337 CA TYR A 86 4.557 -4.578 -3.975 1.00 0.00 C ATOM 1338 C TYR A 86 5.083 -5.976 -3.794 1.00 0.00 C ATOM 1339 O TYR A 86 5.536 -6.353 -2.706 1.00 0.00 O ATOM 1340 CB TYR A 86 5.583 -3.530 -3.511 1.00 0.00 C ATOM 1341 CG TYR A 86 5.085 -2.109 -3.674 1.00 0.00 C ATOM 1342 CD1 TYR A 86 5.150 -1.464 -4.900 1.00 0.00 C ATOM 1343 CD2 TYR A 86 4.514 -1.427 -2.608 1.00 0.00 C ATOM 1344 CE1 TYR A 86 4.659 -0.195 -5.058 1.00 0.00 C ATOM 1345 CE2 TYR A 86 4.031 -0.150 -2.763 1.00 0.00 C ATOM 1346 CZ TYR A 86 4.103 0.458 -3.991 1.00 0.00 C ATOM 1347 OH TYR A 86 3.608 1.730 -4.160 1.00 0.00 O ATOM 0 H TYR A 86 3.390 -4.710 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 86 4.378 -4.396 -5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.828 -3.707 -2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.505 -3.654 -4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.595 -1.970 -5.744 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.448 -1.907 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.710 0.289 -6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.597 0.372 -1.923 1.00 0.00 H new ATOM 0 HH TYR A 86 3.835 2.276 -3.378 1.00 0.00 H new ATOM 1357 N THR A 87 4.938 -6.764 -4.814 1.00 0.00 N ATOM 1358 CA THR A 87 5.446 -8.077 -4.830 1.00 0.00 C ATOM 1359 C THR A 87 6.888 -7.988 -5.231 1.00 0.00 C ATOM 1360 O THR A 87 7.206 -7.689 -6.379 1.00 0.00 O ATOM 1361 CB THR A 87 4.670 -8.944 -5.816 1.00 0.00 C ATOM 1362 OG1 THR A 87 3.264 -8.901 -5.492 1.00 0.00 O ATOM 1363 CG2 THR A 87 5.153 -10.364 -5.745 1.00 0.00 C ATOM 0 H THR A 87 4.452 -6.496 -5.670 1.00 0.00 H new ATOM 0 HA THR A 87 5.346 -8.538 -3.847 1.00 0.00 H new ATOM 0 HB THR A 87 4.828 -8.562 -6.825 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.103 -9.405 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.593 -10.975 -6.453 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.213 -10.401 -5.994 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.004 -10.749 -4.736 1.00 0.00 H new ATOM 1371 N VAL A 88 7.736 -8.191 -4.289 1.00 0.00 N ATOM 1372 CA VAL A 88 9.138 -8.023 -4.476 1.00 0.00 C ATOM 1373 C VAL A 88 9.858 -9.354 -4.369 1.00 0.00 C ATOM 1374 O VAL A 88 9.483 -10.216 -3.572 1.00 0.00 O ATOM 1375 CB VAL A 88 9.712 -7.009 -3.454 1.00 0.00 C ATOM 1376 CG1 VAL A 88 9.170 -5.621 -3.699 1.00 0.00 C ATOM 1377 CG2 VAL A 88 9.383 -7.432 -2.047 1.00 0.00 C ATOM 0 H VAL A 88 7.474 -8.484 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 88 9.300 -7.626 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 88 10.794 -6.991 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.590 -4.932 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.444 -5.295 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.084 -5.633 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.794 -6.708 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.301 -7.482 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.815 -8.413 -1.852 1.00 0.00 H new ATOM 1387 N VAL A 89 10.853 -9.517 -5.180 1.00 0.00 N ATOM 1388 CA VAL A 89 11.640 -10.714 -5.221 1.00 0.00 C ATOM 1389 C VAL A 89 12.925 -10.510 -4.443 1.00 0.00 C ATOM 1390 O VAL A 89 13.658 -9.539 -4.663 1.00 0.00 O ATOM 1391 CB VAL A 89 11.927 -11.195 -6.695 1.00 0.00 C ATOM 1392 CG1 VAL A 89 12.703 -10.171 -7.515 1.00 0.00 C ATOM 1393 CG2 VAL A 89 12.635 -12.536 -6.710 1.00 0.00 C ATOM 0 H VAL A 89 11.151 -8.807 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 89 11.064 -11.511 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 89 10.952 -11.309 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.869 -10.560 -8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.132 -9.244 -7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 89 13.663 -9.975 -7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.818 -12.839 -7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.585 -12.452 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.011 -13.282 -6.218 1.00 0.00 H new ATOM 1403 N PHE A 90 13.163 -11.379 -3.502 1.00 0.00 N ATOM 1404 CA PHE A 90 14.356 -11.308 -2.694 1.00 0.00 C ATOM 1405 C PHE A 90 15.480 -12.070 -3.356 1.00 0.00 C ATOM 1406 O PHE A 90 15.286 -12.689 -4.409 1.00 0.00 O ATOM 1407 CB PHE A 90 14.109 -11.885 -1.298 1.00 0.00 C ATOM 1408 CG PHE A 90 13.143 -11.107 -0.460 1.00 0.00 C ATOM 1409 CD1 PHE A 90 13.486 -9.858 0.018 1.00 0.00 C ATOM 1410 CD2 PHE A 90 11.913 -11.638 -0.118 1.00 0.00 C ATOM 1411 CE1 PHE A 90 12.620 -9.145 0.820 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.036 -10.929 0.678 1.00 0.00 C ATOM 1413 CZ PHE A 90 11.392 -9.680 1.151 1.00 0.00 C ATOM 0 H PHE A 90 12.542 -12.154 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 90 14.632 -10.258 -2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 90 13.739 -12.905 -1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 90 15.061 -11.943 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.445 -9.434 -0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 90 11.635 -12.618 -0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 90 12.902 -8.170 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.074 -11.349 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.711 -9.124 1.778 1.00 0.00 H new ATOM 1423 N ASP A 91 16.639 -12.052 -2.714 1.00 0.00 N ATOM 1424 CA ASP A 91 17.844 -12.782 -3.162 1.00 0.00 C ATOM 1425 C ASP A 91 17.559 -14.268 -3.367 1.00 0.00 C ATOM 1426 O ASP A 91 18.118 -14.907 -4.254 1.00 0.00 O ATOM 1427 CB ASP A 91 18.964 -12.609 -2.130 1.00 0.00 C ATOM 1428 CG ASP A 91 20.170 -13.472 -2.413 1.00 0.00 C ATOM 1429 OD1 ASP A 91 21.020 -13.095 -3.256 1.00 0.00 O ATOM 1430 OD2 ASP A 91 20.304 -14.541 -1.777 1.00 0.00 O ATOM 0 H ASP A 91 16.784 -11.525 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 91 18.153 -12.365 -4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 91 19.271 -11.563 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 91 18.577 -12.849 -1.140 1.00 0.00 H new ATOM 1435 N ASP A 92 16.646 -14.786 -2.569 1.00 0.00 N ATOM 1436 CA ASP A 92 16.226 -16.190 -2.610 1.00 0.00 C ATOM 1437 C ASP A 92 15.520 -16.524 -3.919 1.00 0.00 C ATOM 1438 O ASP A 92 15.352 -17.692 -4.275 1.00 0.00 O ATOM 1439 CB ASP A 92 15.257 -16.474 -1.456 1.00 0.00 C ATOM 1440 CG ASP A 92 15.855 -16.234 -0.097 1.00 0.00 C ATOM 1441 OD1 ASP A 92 16.093 -15.058 0.265 1.00 0.00 O ATOM 1442 OD2 ASP A 92 16.113 -17.201 0.629 1.00 0.00 O ATOM 0 H ASP A 92 16.161 -14.240 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 92 17.123 -16.804 -2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 92 14.373 -15.846 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 92 14.923 -17.510 -1.519 1.00 0.00 H new ATOM 1447 N GLY A 93 15.087 -15.505 -4.626 1.00 0.00 N ATOM 1448 CA GLY A 93 14.377 -15.717 -5.861 1.00 0.00 C ATOM 1449 C GLY A 93 12.905 -15.936 -5.617 1.00 0.00 C ATOM 1450 O GLY A 93 12.153 -16.283 -6.525 1.00 0.00 O ATOM 0 H GLY A 93 15.214 -14.527 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.515 -14.856 -6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.794 -16.581 -6.379 1.00 0.00 H new ATOM 1454 N ASP A 94 12.499 -15.762 -4.390 1.00 0.00 N ATOM 1455 CA ASP A 94 11.104 -15.877 -4.038 1.00 0.00 C ATOM 1456 C ASP A 94 10.549 -14.486 -4.019 1.00 0.00 C ATOM 1457 O ASP A 94 11.215 -13.553 -3.523 1.00 0.00 O ATOM 1458 CB ASP A 94 10.922 -16.506 -2.650 1.00 0.00 C ATOM 1459 CG ASP A 94 9.481 -16.945 -2.355 1.00 0.00 C ATOM 1460 OD1 ASP A 94 8.539 -16.141 -2.500 1.00 0.00 O ATOM 1461 OD2 ASP A 94 9.268 -18.130 -2.012 1.00 0.00 O ATOM 0 H ASP A 94 13.116 -15.538 -3.609 1.00 0.00 H new ATOM 0 HA ASP A 94 10.594 -16.517 -4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.581 -17.370 -2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.236 -15.789 -1.892 1.00 0.00 H new ATOM 1466 N GLU A 95 9.398 -14.321 -4.569 1.00 0.00 N ATOM 1467 CA GLU A 95 8.766 -13.045 -4.559 1.00 0.00 C ATOM 1468 C GLU A 95 7.610 -13.048 -3.591 1.00 0.00 C ATOM 1469 O GLU A 95 6.713 -13.893 -3.658 1.00 0.00 O ATOM 1470 CB GLU A 95 8.354 -12.600 -5.968 1.00 0.00 C ATOM 1471 CG GLU A 95 7.431 -13.551 -6.707 1.00 0.00 C ATOM 1472 CD GLU A 95 7.124 -13.066 -8.093 1.00 0.00 C ATOM 1473 OE1 GLU A 95 8.024 -13.081 -8.934 1.00 0.00 O ATOM 1474 OE2 GLU A 95 5.966 -12.689 -8.381 1.00 0.00 O ATOM 0 H GLU A 95 8.870 -15.058 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 95 9.487 -12.304 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.865 -11.629 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.256 -12.459 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.893 -14.537 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.502 -13.664 -6.148 1.00 0.00 H new ATOM 1481 N ARG A 96 7.625 -12.102 -2.714 1.00 0.00 N ATOM 1482 CA ARG A 96 6.641 -11.983 -1.676 1.00 0.00 C ATOM 1483 C ARG A 96 5.986 -10.627 -1.797 1.00 0.00 C ATOM 1484 O ARG A 96 6.635 -9.657 -2.197 1.00 0.00 O ATOM 1485 CB ARG A 96 7.309 -12.094 -0.286 1.00 0.00 C ATOM 1486 CG ARG A 96 8.027 -13.420 0.047 1.00 0.00 C ATOM 1487 CD ARG A 96 7.068 -14.603 0.235 1.00 0.00 C ATOM 1488 NE ARG A 96 6.503 -15.111 -1.019 1.00 0.00 N ATOM 1489 CZ ARG A 96 5.243 -15.546 -1.195 1.00 0.00 C ATOM 1490 NH1 ARG A 96 4.406 -15.602 -0.166 1.00 0.00 N ATOM 1491 NH2 ARG A 96 4.840 -15.958 -2.400 1.00 0.00 N ATOM 0 H ARG A 96 8.335 -11.370 -2.693 1.00 0.00 H new ATOM 0 HA ARG A 96 5.906 -12.781 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.033 -11.285 -0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.544 -11.925 0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.729 -13.655 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.613 -13.289 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.598 -15.412 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.254 -14.298 0.892 1.00 0.00 H new ATOM 0 HE ARG A 96 7.121 -15.137 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.718 -15.315 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.451 -15.932 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.488 -15.943 -3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.884 -16.288 -2.533 1.00 0.00 H new ATOM 1505 N THR A 97 4.731 -10.557 -1.496 1.00 0.00 N ATOM 1506 CA THR A 97 4.031 -9.315 -1.524 1.00 0.00 C ATOM 1507 C THR A 97 4.176 -8.623 -0.171 1.00 0.00 C ATOM 1508 O THR A 97 3.800 -9.177 0.868 1.00 0.00 O ATOM 1509 CB THR A 97 2.555 -9.547 -1.889 1.00 0.00 C ATOM 1510 OG1 THR A 97 2.496 -10.281 -3.137 1.00 0.00 O ATOM 1511 CG2 THR A 97 1.839 -8.226 -2.067 1.00 0.00 C ATOM 0 H THR A 97 4.162 -11.359 -1.224 1.00 0.00 H new ATOM 0 HA THR A 97 4.458 -8.665 -2.288 1.00 0.00 H new ATOM 0 HB THR A 97 2.073 -10.106 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.560 -10.437 -3.381 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.796 -8.409 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.889 -7.657 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.316 -7.658 -2.866 1.00 0.00 H new ATOM 1519 N LEU A 98 4.751 -7.446 -0.186 1.00 0.00 N ATOM 1520 CA LEU A 98 5.009 -6.702 1.025 1.00 0.00 C ATOM 1521 C LEU A 98 4.118 -5.497 1.128 1.00 0.00 C ATOM 1522 O LEU A 98 3.485 -5.080 0.147 1.00 0.00 O ATOM 1523 CB LEU A 98 6.487 -6.266 1.128 1.00 0.00 C ATOM 1524 CG LEU A 98 7.507 -7.262 1.724 1.00 0.00 C ATOM 1525 CD1 LEU A 98 7.199 -7.555 3.185 1.00 0.00 C ATOM 1526 CD2 LEU A 98 7.586 -8.553 0.930 1.00 0.00 C ATOM 0 H LEU A 98 5.054 -6.975 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 98 4.790 -7.374 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.826 -6.003 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.524 -5.355 1.726 1.00 0.00 H new ATOM 0 HG LEU A 98 8.484 -6.782 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.933 -8.259 3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.241 -6.629 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.202 -7.988 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.316 -9.219 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.609 -9.036 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.889 -8.333 -0.093 1.00 0.00 H new ATOM 1538 N ARG A 99 4.092 -4.939 2.315 1.00 0.00 N ATOM 1539 CA ARG A 99 3.266 -3.819 2.637 1.00 0.00 C ATOM 1540 C ARG A 99 4.096 -2.553 2.450 1.00 0.00 C ATOM 1541 O ARG A 99 5.320 -2.598 2.581 1.00 0.00 O ATOM 1542 CB ARG A 99 2.800 -3.965 4.098 1.00 0.00 C ATOM 1543 CG ARG A 99 1.723 -2.990 4.551 1.00 0.00 C ATOM 1544 CD ARG A 99 1.353 -3.220 6.016 1.00 0.00 C ATOM 1545 NE ARG A 99 0.896 -4.604 6.273 1.00 0.00 N ATOM 1546 CZ ARG A 99 0.504 -5.089 7.472 1.00 0.00 C ATOM 1547 NH1 ARG A 99 0.440 -4.296 8.542 1.00 0.00 N ATOM 1548 NH2 ARG A 99 0.156 -6.367 7.582 1.00 0.00 N ATOM 0 H ARG A 99 4.661 -5.265 3.096 1.00 0.00 H new ATOM 0 HA ARG A 99 2.388 -3.767 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.428 -4.980 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.666 -3.848 4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.075 -1.967 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.837 -3.106 3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.217 -3.003 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.567 -2.522 6.303 1.00 0.00 H new ATOM 0 HE ARG A 99 0.875 -5.245 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.689 -3.310 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.142 -4.675 9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.186 -6.976 6.764 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.141 -6.739 8.484 1.00 0.00 H new ATOM 1562 N ARG A 100 3.430 -1.459 2.139 1.00 0.00 N ATOM 1563 CA ARG A 100 4.039 -0.142 1.905 1.00 0.00 C ATOM 1564 C ARG A 100 4.974 0.255 3.035 1.00 0.00 C ATOM 1565 O ARG A 100 6.122 0.604 2.816 1.00 0.00 O ATOM 1566 CB ARG A 100 2.927 0.893 1.817 1.00 0.00 C ATOM 1567 CG ARG A 100 3.380 2.306 1.499 1.00 0.00 C ATOM 1568 CD ARG A 100 4.052 2.363 0.146 1.00 0.00 C ATOM 1569 NE ARG A 100 4.173 3.728 -0.330 1.00 0.00 N ATOM 1570 CZ ARG A 100 3.327 4.279 -1.215 1.00 0.00 C ATOM 1571 NH1 ARG A 100 2.315 3.569 -1.703 1.00 0.00 N ATOM 1572 NH2 ARG A 100 3.479 5.528 -1.583 1.00 0.00 N ATOM 0 H ARG A 100 2.415 -1.450 2.036 1.00 0.00 H new ATOM 0 HA ARG A 100 4.617 -0.192 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.218 0.576 1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.389 0.906 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.523 2.979 1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.070 2.653 2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.041 1.910 0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.479 1.776 -0.571 1.00 0.00 H new ATOM 0 HE ARG A 100 4.940 4.298 0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.179 2.603 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.674 3.990 -2.375 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.242 6.084 -1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.835 5.944 -2.256 1.00 0.00 H new ATOM 1586 N THR A 101 4.474 0.132 4.231 1.00 0.00 N ATOM 1587 CA THR A 101 5.159 0.522 5.427 1.00 0.00 C ATOM 1588 C THR A 101 6.194 -0.531 5.879 1.00 0.00 C ATOM 1589 O THR A 101 6.722 -0.481 6.988 1.00 0.00 O ATOM 1590 CB THR A 101 4.097 0.758 6.494 1.00 0.00 C ATOM 1591 OG1 THR A 101 3.100 -0.282 6.384 1.00 0.00 O ATOM 1592 CG2 THR A 101 3.427 2.115 6.296 1.00 0.00 C ATOM 0 H THR A 101 3.547 -0.256 4.405 1.00 0.00 H new ATOM 0 HA THR A 101 5.733 1.431 5.247 1.00 0.00 H new ATOM 0 HB THR A 101 4.566 0.742 7.478 1.00 0.00 H new ATOM 0 HG1 THR A 101 2.409 -0.146 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.672 2.264 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.176 2.904 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.954 2.147 5.315 1.00 0.00 H new ATOM 1600 N SER A 102 6.456 -1.478 5.018 1.00 0.00 N ATOM 1601 CA SER A 102 7.443 -2.480 5.254 1.00 0.00 C ATOM 1602 C SER A 102 8.494 -2.392 4.155 1.00 0.00 C ATOM 1603 O SER A 102 9.421 -3.204 4.090 1.00 0.00 O ATOM 1604 CB SER A 102 6.772 -3.852 5.252 1.00 0.00 C ATOM 1605 OG SER A 102 5.684 -3.874 6.178 1.00 0.00 O ATOM 0 H SER A 102 5.979 -1.570 4.121 1.00 0.00 H new ATOM 0 HA SER A 102 7.923 -2.330 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.411 -4.086 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.499 -4.620 5.516 1.00 0.00 H new ATOM 0 HG SER A 102 5.262 -4.758 6.166 1.00 0.00 H new ATOM 1611 N LEU A 103 8.353 -1.375 3.321 1.00 0.00 N ATOM 1612 CA LEU A 103 9.187 -1.175 2.180 1.00 0.00 C ATOM 1613 C LEU A 103 9.933 0.151 2.342 1.00 0.00 C ATOM 1614 O LEU A 103 9.573 0.967 3.186 1.00 0.00 O ATOM 1615 CB LEU A 103 8.299 -1.120 0.954 1.00 0.00 C ATOM 1616 CG LEU A 103 8.826 -1.802 -0.282 1.00 0.00 C ATOM 1617 CD1 LEU A 103 8.890 -3.303 -0.053 1.00 0.00 C ATOM 1618 CD2 LEU A 103 7.946 -1.479 -1.461 1.00 0.00 C ATOM 0 H LEU A 103 7.636 -0.658 3.433 1.00 0.00 H new ATOM 0 HA LEU A 103 9.911 -1.984 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.337 -1.566 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.111 -0.073 0.714 1.00 0.00 H new ATOM 0 HG LEU A 103 9.832 -1.440 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.272 -3.792 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.553 -3.515 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.892 -3.680 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.333 -1.975 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.932 -1.826 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.935 -0.401 -1.623 1.00 0.00 H new ATOM 1630 N CYS A 104 10.952 0.376 1.543 1.00 0.00 N ATOM 1631 CA CYS A 104 11.731 1.570 1.686 1.00 0.00 C ATOM 1632 C CYS A 104 12.008 2.269 0.372 1.00 0.00 C ATOM 1633 O CYS A 104 12.743 1.771 -0.470 1.00 0.00 O ATOM 1634 CB CYS A 104 13.043 1.267 2.389 1.00 0.00 C ATOM 1635 SG CYS A 104 14.062 2.718 2.748 1.00 0.00 S ATOM 0 H CYS A 104 11.253 -0.250 0.796 1.00 0.00 H new ATOM 0 HA CYS A 104 11.131 2.252 2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 104 12.827 0.751 3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 104 13.620 0.579 1.771 1.00 0.00 H new ATOM 0 HG CYS A 104 15.153 2.344 3.348 1.00 0.00 H new ATOM 1641 N LEU A 105 11.357 3.383 0.215 1.00 0.00 N ATOM 1642 CA LEU A 105 11.616 4.382 -0.814 1.00 0.00 C ATOM 1643 C LEU A 105 10.783 5.571 -0.400 1.00 0.00 C ATOM 1644 O LEU A 105 11.274 6.686 -0.284 1.00 0.00 O ATOM 1645 CB LEU A 105 11.292 3.888 -2.253 1.00 0.00 C ATOM 1646 CG LEU A 105 11.857 4.741 -3.433 1.00 0.00 C ATOM 1647 CD1 LEU A 105 11.825 3.954 -4.728 1.00 0.00 C ATOM 1648 CD2 LEU A 105 11.086 6.050 -3.619 1.00 0.00 C ATOM 0 H LEU A 105 10.586 3.646 0.828 1.00 0.00 H new ATOM 0 HA LEU A 105 12.677 4.626 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.671 2.871 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.208 3.837 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 105 12.888 4.985 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.223 4.567 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.432 3.055 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.797 3.673 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.514 6.610 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.040 5.829 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.154 6.645 -2.708 1.00 0.00 H new ATOM 1660 N LYS A 106 9.522 5.302 -0.140 1.00 0.00 N ATOM 1661 CA LYS A 106 8.644 6.242 0.494 1.00 0.00 C ATOM 1662 C LYS A 106 7.527 5.442 1.120 1.00 0.00 C ATOM 1663 O LYS A 106 7.113 4.413 0.561 1.00 0.00 O ATOM 1664 CB LYS A 106 8.136 7.347 -0.437 1.00 0.00 C ATOM 1665 CG LYS A 106 7.623 8.540 0.354 1.00 0.00 C ATOM 1666 CD LYS A 106 7.349 9.747 -0.509 1.00 0.00 C ATOM 1667 CE LYS A 106 7.055 10.969 0.355 1.00 0.00 C ATOM 1668 NZ LYS A 106 8.198 11.311 1.247 1.00 0.00 N ATOM 0 H LYS A 106 9.079 4.412 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 106 9.194 6.797 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.940 7.666 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.338 6.956 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.708 8.257 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.355 8.805 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.209 9.946 -1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.502 9.547 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.829 11.821 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.168 10.781 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.078 12.278 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.229 10.643 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.087 11.251 0.711 1.00 0.00 H new ATOM 1682 N GLY A 107 7.054 5.886 2.248 1.00 0.00 N ATOM 1683 CA GLY A 107 6.197 5.061 3.060 1.00 0.00 C ATOM 1684 C GLY A 107 7.096 4.355 4.041 1.00 0.00 C ATOM 1685 O GLY A 107 6.819 3.265 4.508 1.00 0.00 O ATOM 0 H GLY A 107 7.245 6.813 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.454 5.666 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.652 4.344 2.446 1.00 0.00 H new ATOM 1689 N GLU A 108 8.175 5.064 4.366 1.00 0.00 N ATOM 1690 CA GLU A 108 9.309 4.600 5.160 1.00 0.00 C ATOM 1691 C GLU A 108 8.940 4.389 6.619 1.00 0.00 C ATOM 1692 O GLU A 108 9.717 3.842 7.392 1.00 0.00 O ATOM 1693 CB GLU A 108 10.397 5.659 5.069 1.00 0.00 C ATOM 1694 CG GLU A 108 10.781 6.007 3.642 1.00 0.00 C ATOM 1695 CD GLU A 108 10.841 7.496 3.422 1.00 0.00 C ATOM 1696 OE1 GLU A 108 9.807 8.093 3.053 1.00 0.00 O ATOM 1697 OE2 GLU A 108 11.896 8.098 3.630 1.00 0.00 O ATOM 0 H GLU A 108 8.287 6.032 4.065 1.00 0.00 H new ATOM 0 HA GLU A 108 9.643 3.639 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.058 6.562 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.282 5.307 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.751 5.567 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.058 5.568 2.954 1.00 0.00 H new ATOM 1704 N ARG A 109 7.781 4.835 6.989 1.00 0.00 N ATOM 1705 CA ARG A 109 7.315 4.712 8.341 1.00 0.00 C ATOM 1706 C ARG A 109 6.959 3.271 8.644 1.00 0.00 C ATOM 1707 O ARG A 109 6.316 2.617 7.847 1.00 0.00 O ATOM 1708 CB ARG A 109 6.166 5.683 8.599 1.00 0.00 C ATOM 1709 CG ARG A 109 6.598 7.140 8.450 1.00 0.00 C ATOM 1710 CD ARG A 109 7.674 7.497 9.472 1.00 0.00 C ATOM 1711 NE ARG A 109 8.290 8.790 9.225 1.00 0.00 N ATOM 1712 CZ ARG A 109 8.809 9.579 10.171 1.00 0.00 C ATOM 1713 NH1 ARG A 109 8.635 9.302 11.463 1.00 0.00 N ATOM 1714 NH2 ARG A 109 9.511 10.642 9.820 1.00 0.00 N ATOM 0 H ARG A 109 7.125 5.298 6.360 1.00 0.00 H new ATOM 0 HA ARG A 109 8.113 4.988 9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 109 5.353 5.474 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.776 5.522 9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.977 7.310 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.736 7.794 8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.234 7.496 10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.445 6.727 9.463 1.00 0.00 H new ATOM 0 HE ARG A 109 8.329 9.119 8.260 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.100 8.479 11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.037 9.913 12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.654 10.856 8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 109 9.910 11.249 10.536 1.00 0.00 H new ATOM 1728 N HIS A 110 7.413 2.802 9.813 1.00 0.00 N ATOM 1729 CA HIS A 110 7.354 1.381 10.270 1.00 0.00 C ATOM 1730 C HIS A 110 8.566 0.633 9.765 1.00 0.00 C ATOM 1731 O HIS A 110 9.121 -0.212 10.477 1.00 0.00 O ATOM 1732 CB HIS A 110 6.042 0.606 9.954 1.00 0.00 C ATOM 1733 CG HIS A 110 4.810 1.156 10.602 1.00 0.00 C ATOM 1734 ND1 HIS A 110 4.254 0.636 11.743 1.00 0.00 N ATOM 1735 CD2 HIS A 110 4.031 2.194 10.257 1.00 0.00 C ATOM 1736 CE1 HIS A 110 3.193 1.333 12.071 1.00 0.00 C ATOM 1737 NE2 HIS A 110 3.037 2.288 11.183 1.00 0.00 N ATOM 0 H HIS A 110 7.850 3.413 10.502 1.00 0.00 H new ATOM 0 HA HIS A 110 7.356 1.435 11.359 1.00 0.00 H new ATOM 0 HB2 HIS A 110 5.894 0.598 8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 110 6.166 -0.431 10.266 1.00 0.00 H new ATOM 0 HD2 HIS A 110 4.168 2.837 9.401 1.00 0.00 H new ATOM 0 HE1 HIS A 110 2.557 1.153 12.925 1.00 0.00 H new ATOM 0 HE2 HIS A 110 2.293 2.986 11.186 1.00 0.00 H new ATOM 1746 N PHE A 111 8.991 0.945 8.537 1.00 0.00 N ATOM 1747 CA PHE A 111 10.239 0.427 8.021 1.00 0.00 C ATOM 1748 C PHE A 111 11.336 0.996 8.879 1.00 0.00 C ATOM 1749 O PHE A 111 12.027 0.267 9.603 1.00 0.00 O ATOM 1750 CB PHE A 111 10.451 0.793 6.544 1.00 0.00 C ATOM 1751 CG PHE A 111 11.730 0.235 5.974 1.00 0.00 C ATOM 1752 CD1 PHE A 111 12.922 0.946 6.067 1.00 0.00 C ATOM 1753 CD2 PHE A 111 11.742 -1.000 5.363 1.00 0.00 C ATOM 1754 CE1 PHE A 111 14.092 0.431 5.562 1.00 0.00 C ATOM 1755 CE2 PHE A 111 12.909 -1.519 4.856 1.00 0.00 C ATOM 1756 CZ PHE A 111 14.085 -0.801 4.955 1.00 0.00 C ATOM 0 H PHE A 111 8.484 1.552 7.892 1.00 0.00 H new ATOM 0 HA PHE A 111 10.234 -0.662 8.059 1.00 0.00 H new ATOM 0 HB2 PHE A 111 9.608 0.423 5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 111 10.458 1.878 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 111 12.928 1.916 6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 111 10.825 -1.565 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 111 15.011 0.992 5.642 1.00 0.00 H new ATOM 0 HE2 PHE A 111 12.907 -2.488 4.380 1.00 0.00 H new ATOM 0 HZ PHE A 111 15.001 -1.209 4.554 1.00 0.00 H new ATOM 1766 N ALA A 112 11.444 2.289 8.832 1.00 0.00 N ATOM 1767 CA ALA A 112 12.303 3.008 9.684 1.00 0.00 C ATOM 1768 C ALA A 112 11.430 3.514 10.791 1.00 0.00 C ATOM 1769 O ALA A 112 10.768 4.553 10.665 1.00 0.00 O ATOM 1770 CB ALA A 112 12.991 4.155 8.948 1.00 0.00 C ATOM 0 H ALA A 112 10.920 2.874 8.181 1.00 0.00 H new ATOM 0 HA ALA A 112 13.109 2.380 10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.646 4.688 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 112 13.580 3.756 8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 112 12.239 4.841 8.559 1.00 0.00 H new ATOM 1776 N GLU A 113 11.313 2.713 11.808 1.00 0.00 N ATOM 1777 CA GLU A 113 10.487 3.031 12.926 1.00 0.00 C ATOM 1778 C GLU A 113 11.053 4.178 13.733 1.00 0.00 C ATOM 1779 O GLU A 113 12.052 4.042 14.434 1.00 0.00 O ATOM 1780 CB GLU A 113 10.121 1.780 13.773 1.00 0.00 C ATOM 1781 CG GLU A 113 11.085 0.578 13.703 1.00 0.00 C ATOM 1782 CD GLU A 113 12.473 0.831 14.237 1.00 0.00 C ATOM 1783 OE1 GLU A 113 12.674 0.754 15.461 1.00 0.00 O ATOM 1784 OE2 GLU A 113 13.399 1.052 13.434 1.00 0.00 O ATOM 0 H GLU A 113 11.793 1.816 11.882 1.00 0.00 H new ATOM 0 HA GLU A 113 9.534 3.388 12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.040 2.089 14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.133 1.440 13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.646 -0.251 14.258 1.00 0.00 H new ATOM 0 HG3 GLU A 113 11.166 0.259 12.664 1.00 0.00 H new ATOM 1791 N SER A 114 10.440 5.322 13.590 1.00 0.00 N ATOM 1792 CA SER A 114 10.910 6.496 14.253 1.00 0.00 C ATOM 1793 C SER A 114 10.033 6.748 15.475 1.00 0.00 C ATOM 1794 O SER A 114 10.505 7.207 16.513 1.00 0.00 O ATOM 1795 CB SER A 114 10.917 7.676 13.276 1.00 0.00 C ATOM 1796 OG SER A 114 11.683 8.770 13.769 1.00 0.00 O ATOM 0 H SER A 114 9.609 5.461 13.015 1.00 0.00 H new ATOM 0 HA SER A 114 11.936 6.367 14.596 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.323 7.351 12.318 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.893 8.003 13.094 1.00 0.00 H new ATOM 0 HG SER A 114 11.665 9.502 13.118 1.00 0.00 H new ATOM 1802 N GLU A 115 8.759 6.440 15.346 1.00 0.00 N ATOM 1803 CA GLU A 115 7.851 6.457 16.477 1.00 0.00 C ATOM 1804 C GLU A 115 7.425 5.034 16.769 1.00 0.00 C ATOM 1805 O GLU A 115 6.784 4.757 17.771 1.00 0.00 O ATOM 1806 CB GLU A 115 6.612 7.322 16.198 1.00 0.00 C ATOM 1807 CG GLU A 115 6.886 8.813 16.089 1.00 0.00 C ATOM 1808 CD GLU A 115 5.629 9.615 15.829 1.00 0.00 C ATOM 1809 OE1 GLU A 115 4.729 9.643 16.686 1.00 0.00 O ATOM 1810 OE2 GLU A 115 5.533 10.263 14.775 1.00 0.00 O ATOM 0 H GLU A 115 8.325 6.173 14.462 1.00 0.00 H new ATOM 0 HA GLU A 115 8.366 6.891 17.334 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.151 6.983 15.270 1.00 0.00 H new ATOM 0 HB3 GLU A 115 5.885 7.158 16.994 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.352 9.162 17.011 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.599 8.990 15.284 1.00 0.00 H new ATOM 1817 N THR A 116 7.779 4.143 15.850 1.00 0.00 N ATOM 1818 CA THR A 116 7.430 2.725 15.875 1.00 0.00 C ATOM 1819 C THR A 116 5.983 2.546 15.431 1.00 0.00 C ATOM 1820 O THR A 116 5.711 1.889 14.418 1.00 0.00 O ATOM 1821 CB THR A 116 7.723 2.033 17.235 1.00 0.00 C ATOM 1822 OG1 THR A 116 9.119 2.212 17.559 1.00 0.00 O ATOM 1823 CG2 THR A 116 7.419 0.542 17.157 1.00 0.00 C ATOM 0 H THR A 116 8.338 4.397 15.036 1.00 0.00 H new ATOM 0 HA THR A 116 8.082 2.215 15.166 1.00 0.00 H new ATOM 0 HB THR A 116 7.091 2.480 18.002 1.00 0.00 H new ATOM 0 HG1 THR A 116 9.314 1.780 18.417 1.00 0.00 H new ATOM 0 HG21 THR A 116 7.631 0.077 18.120 1.00 0.00 H new ATOM 0 HG22 THR A 116 6.368 0.398 16.908 1.00 0.00 H new ATOM 0 HG23 THR A 116 8.041 0.084 16.388 1.00 0.00 H new ATOM 1831 N LEU A 117 5.074 3.195 16.123 1.00 0.00 N ATOM 1832 CA LEU A 117 3.690 3.198 15.738 1.00 0.00 C ATOM 1833 C LEU A 117 3.422 4.468 14.930 1.00 0.00 C ATOM 1834 O LEU A 117 2.486 5.213 15.187 1.00 0.00 O ATOM 1835 CB LEU A 117 2.709 3.053 16.953 1.00 0.00 C ATOM 1836 CG LEU A 117 2.555 4.217 17.972 1.00 0.00 C ATOM 1837 CD1 LEU A 117 1.427 3.910 18.934 1.00 0.00 C ATOM 1838 CD2 LEU A 117 3.828 4.482 18.754 1.00 0.00 C ATOM 0 H LEU A 117 5.277 3.733 16.966 1.00 0.00 H new ATOM 0 HA LEU A 117 3.496 2.319 15.124 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.719 2.845 16.547 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.016 2.170 17.514 1.00 0.00 H new ATOM 0 HG LEU A 117 2.332 5.117 17.398 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.323 4.729 19.646 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.497 3.792 18.378 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.648 2.988 19.471 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.663 5.304 19.450 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.107 3.587 19.310 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.630 4.746 18.065 1.00 0.00 H new ATOM 1850 N ASP A 118 4.315 4.714 13.982 1.00 0.00 N ATOM 1851 CA ASP A 118 4.239 5.844 13.057 1.00 0.00 C ATOM 1852 C ASP A 118 2.929 5.780 12.274 1.00 0.00 C ATOM 1853 O ASP A 118 2.777 4.866 11.443 1.00 0.00 O ATOM 1854 CB ASP A 118 5.430 5.831 12.063 1.00 0.00 C ATOM 1855 CG ASP A 118 6.801 6.125 12.672 1.00 0.00 C ATOM 1856 OD1 ASP A 118 7.469 5.192 13.185 1.00 0.00 O ATOM 1857 OD2 ASP A 118 7.254 7.284 12.611 1.00 0.00 O ATOM 1858 OXT ASP A 118 2.036 6.623 12.487 1.00 0.00 O ATOM 0 H ASP A 118 5.132 4.123 13.828 1.00 0.00 H new ATOM 0 HA ASP A 118 4.281 6.764 13.639 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.468 4.854 11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.235 6.564 11.280 1.00 0.00 H new TER 1863 ASP A 118