USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 713 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 36 GLN : amide:sc= -3.31! C(o=-4.4!,f=-6.5!) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -1.09! C(o=-5.8!,f=-4.4!) USER MOD Set 2.1: A 27 GLN : amide:sc= -13.4! C(o=-13!,f=-16!) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -58:sc= -0.207! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -150:sc= -0.951 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.989 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 140:sc= -1.29 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -65:sc= -5.13! USER MOD Single : A 60 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.3) USER MOD Single : A 62 SER OG : rot -169:sc= -2.69! USER MOD Single : A 64 SER OG : rot 53:sc= 0.0916 USER MOD Single : A 65 THR OG1 : rot -106:sc= -3.52! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -159:sc= -3.09! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.997 K(o=-1,f=-2.8!) USER MOD Single : A 111 SER OG : rot 112:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -11.103 -3.585 9.940 1.00 0.00 N ATOM 22 CA PRO A 3 -11.190 -2.134 9.919 1.00 0.00 C ATOM 23 C PRO A 3 -10.723 -1.578 8.571 1.00 0.00 C ATOM 24 O PRO A 3 -9.576 -1.780 8.178 1.00 0.00 O ATOM 25 CB PRO A 3 -10.330 -1.670 11.084 1.00 0.00 C ATOM 26 CG PRO A 3 -9.426 -2.844 11.427 1.00 0.00 C ATOM 27 CD PRO A 3 -9.976 -4.077 10.730 1.00 0.00 C ATOM 0 HA PRO A 3 -12.212 -1.772 10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.744 -0.792 10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.947 -1.389 11.938 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.404 -2.646 11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.394 -2.998 12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.222 -4.543 10.096 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.296 -4.830 11.451 1.00 0.00 H new ATOM 35 N THR A 4 -11.637 -0.890 7.904 1.00 0.00 N ATOM 36 CA THR A 4 -11.333 -0.303 6.610 1.00 0.00 C ATOM 37 C THR A 4 -10.628 -1.324 5.712 1.00 0.00 C ATOM 38 O THR A 4 -10.957 -2.509 5.739 1.00 0.00 O ATOM 39 CB THR A 4 -10.512 0.967 6.847 1.00 0.00 C ATOM 40 OG1 THR A 4 -9.176 0.493 6.998 1.00 0.00 O ATOM 41 CG2 THR A 4 -10.829 1.625 8.191 1.00 0.00 C ATOM 0 H THR A 4 -12.588 -0.726 8.235 1.00 0.00 H new ATOM 0 HA THR A 4 -12.243 -0.024 6.079 1.00 0.00 H new ATOM 0 HB THR A 4 -10.700 1.677 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.137 -0.144 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.220 2.521 8.310 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.884 1.896 8.223 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.609 0.927 8.999 1.00 0.00 H new ATOM 49 N ALA A 5 -9.675 -0.826 4.941 1.00 0.00 N ATOM 50 CA ALA A 5 -8.920 -1.679 4.038 1.00 0.00 C ATOM 51 C ALA A 5 -7.768 -2.331 4.803 1.00 0.00 C ATOM 52 O ALA A 5 -6.952 -1.639 5.411 1.00 0.00 O ATOM 53 CB ALA A 5 -8.437 -0.857 2.842 1.00 0.00 C ATOM 0 H ALA A 5 -9.407 0.158 4.922 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.550 -2.479 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.871 -1.497 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.296 -0.442 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.799 -0.045 3.192 1.00 0.00 H new ATOM 59 N THR A 6 -7.736 -3.654 4.748 1.00 0.00 N ATOM 60 CA THR A 6 -6.695 -4.406 5.427 1.00 0.00 C ATOM 61 C THR A 6 -6.308 -5.641 4.609 1.00 0.00 C ATOM 62 O THR A 6 -7.155 -6.248 3.956 1.00 0.00 O ATOM 63 CB THR A 6 -7.198 -4.744 6.833 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.595 -4.968 6.659 1.00 0.00 O ATOM 65 CG2 THR A 6 -7.128 -3.546 7.783 1.00 0.00 C ATOM 0 H THR A 6 -8.414 -4.225 4.244 1.00 0.00 H new ATOM 0 HA THR A 6 -5.782 -3.819 5.523 1.00 0.00 H new ATOM 0 HB THR A 6 -6.610 -5.566 7.241 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.000 -5.195 7.522 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.496 -3.839 8.766 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.095 -3.209 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.743 -2.735 7.392 1.00 0.00 H new ATOM 73 N VAL A 7 -5.028 -5.974 4.671 1.00 0.00 N ATOM 74 CA VAL A 7 -4.517 -7.124 3.944 1.00 0.00 C ATOM 75 C VAL A 7 -4.651 -8.373 4.815 1.00 0.00 C ATOM 76 O VAL A 7 -4.090 -8.437 5.908 1.00 0.00 O ATOM 77 CB VAL A 7 -3.078 -6.862 3.493 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.292 -8.169 3.381 1.00 0.00 C ATOM 79 CG2 VAL A 7 -3.049 -6.088 2.174 1.00 0.00 C ATOM 0 H VAL A 7 -4.328 -5.468 5.214 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.101 -7.294 3.040 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.596 -6.246 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.273 -7.954 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.269 -8.664 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.773 -8.822 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.015 -5.915 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.557 -6.666 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.554 -5.131 2.303 1.00 0.00 H new ATOM 89 N THR A 8 -5.401 -9.339 4.299 1.00 0.00 N ATOM 90 CA THR A 8 -5.616 -10.582 5.017 1.00 0.00 C ATOM 91 C THR A 8 -4.279 -11.216 5.400 1.00 0.00 C ATOM 92 O THR A 8 -3.913 -11.243 6.574 1.00 0.00 O ATOM 93 CB THR A 8 -6.488 -11.486 4.143 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.819 -11.207 4.574 1.00 0.00 O ATOM 95 CG2 THR A 8 -6.298 -12.970 4.462 1.00 0.00 C ATOM 0 H THR A 8 -5.866 -9.284 3.393 1.00 0.00 H new ATOM 0 HA THR A 8 -6.139 -10.410 5.958 1.00 0.00 H new ATOM 0 HB THR A 8 -6.256 -11.308 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.451 -11.750 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.940 -13.567 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.257 -13.247 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.562 -13.155 5.503 1.00 0.00 H new ATOM 103 N PRO A 9 -3.563 -11.724 4.359 1.00 0.00 N ATOM 104 CA PRO A 9 -2.273 -12.356 4.575 1.00 0.00 C ATOM 105 C PRO A 9 -1.191 -11.312 4.853 1.00 0.00 C ATOM 106 O PRO A 9 -0.176 -11.262 4.160 1.00 0.00 O ATOM 107 CB PRO A 9 -2.013 -13.159 3.312 1.00 0.00 C ATOM 108 CG PRO A 9 -2.937 -12.582 2.252 1.00 0.00 C ATOM 109 CD PRO A 9 -3.964 -11.710 2.956 1.00 0.00 C ATOM 0 HA PRO A 9 -2.263 -13.003 5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.970 -13.079 3.006 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.217 -14.217 3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.370 -11.996 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.430 -13.381 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.965 -10.697 2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.972 -12.104 2.828 1.00 0.00 H new ATOM 117 N SER A 10 -1.443 -10.501 5.873 1.00 0.00 N ATOM 118 CA SER A 10 -0.504 -9.461 6.252 1.00 0.00 C ATOM 119 C SER A 10 0.504 -10.009 7.265 1.00 0.00 C ATOM 120 O SER A 10 1.099 -9.248 8.025 1.00 0.00 O ATOM 121 CB SER A 10 -1.230 -8.245 6.830 1.00 0.00 C ATOM 122 OG SER A 10 -1.817 -8.527 8.098 1.00 0.00 O ATOM 0 H SER A 10 -2.285 -10.545 6.447 1.00 0.00 H new ATOM 0 HA SER A 10 0.028 -9.140 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.528 -7.418 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.005 -7.922 6.135 1.00 0.00 H new ATOM 0 HG SER A 10 -2.270 -7.726 8.434 1.00 0.00 H new ATOM 128 N SER A 11 0.661 -11.323 7.241 1.00 0.00 N ATOM 129 CA SER A 11 1.588 -11.983 8.148 1.00 0.00 C ATOM 130 C SER A 11 2.761 -12.571 7.364 1.00 0.00 C ATOM 131 O SER A 11 2.560 -13.298 6.392 1.00 0.00 O ATOM 132 CB SER A 11 0.883 -13.077 8.952 1.00 0.00 C ATOM 133 OG SER A 11 1.063 -12.909 10.357 1.00 0.00 O ATOM 0 H SER A 11 0.163 -11.950 6.609 1.00 0.00 H new ATOM 0 HA SER A 11 1.968 -11.240 8.850 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.182 -13.068 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.267 -14.052 8.652 1.00 0.00 H new ATOM 0 HG SER A 11 0.596 -13.626 10.835 1.00 0.00 H new ATOM 139 N GLY A 12 3.960 -12.234 7.814 1.00 0.00 N ATOM 140 CA GLY A 12 5.166 -12.720 7.166 1.00 0.00 C ATOM 141 C GLY A 12 4.980 -12.796 5.650 1.00 0.00 C ATOM 142 O GLY A 12 5.264 -13.824 5.036 1.00 0.00 O ATOM 0 H GLY A 12 4.122 -11.630 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.001 -12.060 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.420 -13.706 7.555 1.00 0.00 H new ATOM 146 N LEU A 13 4.506 -11.694 5.087 1.00 0.00 N ATOM 147 CA LEU A 13 4.279 -11.623 3.654 1.00 0.00 C ATOM 148 C LEU A 13 5.562 -12.018 2.918 1.00 0.00 C ATOM 149 O LEU A 13 6.544 -12.417 3.545 1.00 0.00 O ATOM 150 CB LEU A 13 3.749 -10.242 3.263 1.00 0.00 C ATOM 151 CG LEU A 13 2.466 -9.793 3.965 1.00 0.00 C ATOM 152 CD1 LEU A 13 2.783 -9.032 5.254 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.581 -8.978 3.021 1.00 0.00 C ATOM 0 H LEU A 13 4.273 -10.843 5.598 1.00 0.00 H new ATOM 0 HA LEU A 13 3.507 -12.333 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.527 -9.506 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.573 -10.233 2.187 1.00 0.00 H new ATOM 0 HG LEU A 13 1.902 -10.682 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.853 -8.724 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.343 -9.678 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.379 -8.150 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.676 -8.671 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.124 -8.094 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.312 -9.587 2.158 1.00 0.00 H new ATOM 165 N SER A 14 5.512 -11.897 1.600 1.00 0.00 N ATOM 166 CA SER A 14 6.658 -12.238 0.774 1.00 0.00 C ATOM 167 C SER A 14 6.764 -11.262 -0.401 1.00 0.00 C ATOM 168 O SER A 14 5.757 -10.710 -0.846 1.00 0.00 O ATOM 169 CB SER A 14 6.559 -13.676 0.263 1.00 0.00 C ATOM 170 OG SER A 14 7.843 -14.237 -0.005 1.00 0.00 O ATOM 0 H SER A 14 4.696 -11.568 1.083 1.00 0.00 H new ATOM 0 HA SER A 14 7.557 -12.160 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.043 -14.289 1.002 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.957 -13.697 -0.645 1.00 0.00 H new ATOM 0 HG SER A 14 7.737 -15.156 -0.328 1.00 0.00 H new ATOM 176 N ASP A 15 7.989 -11.082 -0.870 1.00 0.00 N ATOM 177 CA ASP A 15 8.238 -10.184 -1.984 1.00 0.00 C ATOM 178 C ASP A 15 7.320 -10.556 -3.150 1.00 0.00 C ATOM 179 O ASP A 15 7.704 -11.332 -4.026 1.00 0.00 O ATOM 180 CB ASP A 15 9.685 -10.297 -2.469 1.00 0.00 C ATOM 181 CG ASP A 15 9.931 -9.800 -3.896 1.00 0.00 C ATOM 182 OD1 ASP A 15 10.794 -10.408 -4.568 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.250 -8.827 -4.283 1.00 0.00 O ATOM 0 H ASP A 15 8.820 -11.543 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 15 8.048 -9.166 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.325 -9.734 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.993 -11.341 -2.406 1.00 0.00 H new ATOM 189 N GLY A 16 6.125 -9.986 -3.125 1.00 0.00 N ATOM 190 CA GLY A 16 5.148 -10.248 -4.169 1.00 0.00 C ATOM 191 C GLY A 16 4.096 -11.255 -3.695 1.00 0.00 C ATOM 192 O GLY A 16 3.768 -12.199 -4.410 1.00 0.00 O ATOM 0 H GLY A 16 5.810 -9.343 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.661 -9.317 -4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.652 -10.633 -5.055 1.00 0.00 H new ATOM 196 N THR A 17 3.595 -11.015 -2.492 1.00 0.00 N ATOM 197 CA THR A 17 2.585 -11.887 -1.915 1.00 0.00 C ATOM 198 C THR A 17 1.184 -11.375 -2.248 1.00 0.00 C ATOM 199 O THR A 17 0.867 -10.212 -2.001 1.00 0.00 O ATOM 200 CB THR A 17 2.853 -11.988 -0.411 1.00 0.00 C ATOM 201 OG1 THR A 17 3.765 -13.078 -0.294 1.00 0.00 O ATOM 202 CG2 THR A 17 1.622 -12.448 0.374 1.00 0.00 C ATOM 0 H THR A 17 3.869 -10.230 -1.901 1.00 0.00 H new ATOM 0 HA THR A 17 2.639 -12.890 -2.339 1.00 0.00 H new ATOM 0 HB THR A 17 3.182 -11.019 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.637 -13.521 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.867 -12.503 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.809 -11.737 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.313 -13.432 0.022 1.00 0.00 H new ATOM 210 N VAL A 18 0.380 -12.269 -2.805 1.00 0.00 N ATOM 211 CA VAL A 18 -0.982 -11.922 -3.176 1.00 0.00 C ATOM 212 C VAL A 18 -1.842 -11.826 -1.912 1.00 0.00 C ATOM 213 O VAL A 18 -2.102 -12.834 -1.256 1.00 0.00 O ATOM 214 CB VAL A 18 -1.521 -12.933 -4.189 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.576 -12.291 -5.096 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.387 -13.540 -5.014 1.00 0.00 C ATOM 0 H VAL A 18 0.645 -13.233 -3.008 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.009 -10.947 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.001 -13.740 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.943 -13.031 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.405 -11.928 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.131 -11.457 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.798 -14.255 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.134 -12.749 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.313 -14.049 -4.351 1.00 0.00 H new ATOM 226 N VAL A 19 -2.257 -10.606 -1.608 1.00 0.00 N ATOM 227 CA VAL A 19 -3.082 -10.365 -0.436 1.00 0.00 C ATOM 228 C VAL A 19 -4.414 -9.754 -0.873 1.00 0.00 C ATOM 229 O VAL A 19 -4.534 -9.244 -1.984 1.00 0.00 O ATOM 230 CB VAL A 19 -2.325 -9.493 0.566 1.00 0.00 C ATOM 231 CG1 VAL A 19 -1.021 -10.168 1.003 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.054 -8.102 -0.010 1.00 0.00 C ATOM 0 H VAL A 19 -2.037 -9.772 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.306 -11.302 0.073 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.955 -9.373 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.501 -9.528 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.247 -11.125 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.386 -10.332 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.514 -7.503 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.454 -8.194 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.000 -7.617 -0.249 1.00 0.00 H new ATOM 242 N LYS A 20 -5.386 -9.827 0.028 1.00 0.00 N ATOM 243 CA LYS A 20 -6.705 -9.286 -0.252 1.00 0.00 C ATOM 244 C LYS A 20 -6.970 -8.099 0.677 1.00 0.00 C ATOM 245 O LYS A 20 -7.056 -8.264 1.892 1.00 0.00 O ATOM 246 CB LYS A 20 -7.763 -10.388 -0.160 1.00 0.00 C ATOM 247 CG LYS A 20 -9.044 -9.978 -0.892 1.00 0.00 C ATOM 248 CD LYS A 20 -10.274 -10.618 -0.244 1.00 0.00 C ATOM 249 CE LYS A 20 -11.136 -11.327 -1.291 1.00 0.00 C ATOM 250 NZ LYS A 20 -12.246 -12.059 -0.636 1.00 0.00 N ATOM 0 H LYS A 20 -5.285 -10.252 0.950 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.757 -8.910 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.372 -11.310 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.988 -10.596 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.144 -8.893 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.982 -10.278 -1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.959 -11.332 0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.864 -9.853 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.538 -10.598 -1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.523 -12.021 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.822 -12.535 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.856 -12.768 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.839 -11.389 -0.107 1.00 0.00 H new ATOM 264 N VAL A 21 -7.095 -6.929 0.069 1.00 0.00 N ATOM 265 CA VAL A 21 -7.350 -5.715 0.824 1.00 0.00 C ATOM 266 C VAL A 21 -8.860 -5.499 0.943 1.00 0.00 C ATOM 267 O VAL A 21 -9.479 -4.915 0.056 1.00 0.00 O ATOM 268 CB VAL A 21 -6.627 -4.533 0.173 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.579 -3.333 1.121 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.222 -4.932 -0.279 1.00 0.00 C ATOM 0 H VAL A 21 -7.024 -6.796 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.955 -5.805 1.836 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.192 -4.239 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.060 -2.506 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.595 -3.027 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.048 -3.610 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.730 -4.074 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.643 -5.264 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.290 -5.743 -1.005 1.00 0.00 H new ATOM 280 N ALA A 22 -9.409 -5.987 2.046 1.00 0.00 N ATOM 281 CA ALA A 22 -10.834 -5.856 2.292 1.00 0.00 C ATOM 282 C ALA A 22 -11.105 -4.531 3.009 1.00 0.00 C ATOM 283 O ALA A 22 -10.580 -4.292 4.097 1.00 0.00 O ATOM 284 CB ALA A 22 -11.329 -7.063 3.092 1.00 0.00 C ATOM 0 H ALA A 22 -8.892 -6.473 2.779 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.384 -5.841 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.399 -6.964 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.141 -7.976 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.800 -7.110 4.044 1.00 0.00 H new ATOM 290 N GLY A 23 -11.923 -3.707 2.372 1.00 0.00 N ATOM 291 CA GLY A 23 -12.269 -2.412 2.936 1.00 0.00 C ATOM 292 C GLY A 23 -13.686 -2.427 3.513 1.00 0.00 C ATOM 293 O GLY A 23 -14.647 -2.711 2.801 1.00 0.00 O ATOM 0 H GLY A 23 -12.357 -3.910 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.557 -2.150 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.194 -1.644 2.166 1.00 0.00 H new ATOM 297 N ALA A 24 -13.770 -2.116 4.799 1.00 0.00 N ATOM 298 CA ALA A 24 -15.052 -2.090 5.481 1.00 0.00 C ATOM 299 C ALA A 24 -15.309 -0.681 6.019 1.00 0.00 C ATOM 300 O ALA A 24 -14.769 -0.301 7.058 1.00 0.00 O ATOM 301 CB ALA A 24 -15.066 -3.150 6.584 1.00 0.00 C ATOM 0 H ALA A 24 -12.970 -1.880 5.386 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.860 -2.331 4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.028 -3.130 7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.909 -4.135 6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.270 -2.941 7.299 1.00 0.00 H new ATOM 307 N GLY A 25 -16.135 0.055 5.290 1.00 0.00 N ATOM 308 CA GLY A 25 -16.469 1.414 5.682 1.00 0.00 C ATOM 309 C GLY A 25 -15.499 2.420 5.060 1.00 0.00 C ATOM 310 O GLY A 25 -15.306 3.513 5.592 1.00 0.00 O ATOM 0 H GLY A 25 -16.583 -0.264 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.488 1.646 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.440 1.500 6.768 1.00 0.00 H new ATOM 314 N LEU A 26 -14.913 2.015 3.943 1.00 0.00 N ATOM 315 CA LEU A 26 -13.967 2.868 3.243 1.00 0.00 C ATOM 316 C LEU A 26 -14.718 3.726 2.222 1.00 0.00 C ATOM 317 O LEU A 26 -15.863 4.112 2.454 1.00 0.00 O ATOM 318 CB LEU A 26 -12.841 2.031 2.632 1.00 0.00 C ATOM 319 CG LEU A 26 -11.419 2.534 2.884 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.420 1.374 2.895 1.00 0.00 C ATOM 321 CD2 LEU A 26 -11.031 3.614 1.872 1.00 0.00 C ATOM 0 H LEU A 26 -15.075 1.108 3.505 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.483 3.552 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.920 1.015 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.000 1.975 1.555 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.390 2.993 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.417 1.760 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.687 0.672 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.444 0.864 1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.015 3.954 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.082 3.203 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.719 4.455 1.956 1.00 0.00 H new ATOM 333 N GLN A 27 -14.043 3.999 1.116 1.00 0.00 N ATOM 334 CA GLN A 27 -14.632 4.805 0.059 1.00 0.00 C ATOM 335 C GLN A 27 -16.067 4.349 -0.218 1.00 0.00 C ATOM 336 O GLN A 27 -16.291 3.451 -1.028 1.00 0.00 O ATOM 337 CB GLN A 27 -13.782 4.746 -1.212 1.00 0.00 C ATOM 338 CG GLN A 27 -12.540 5.627 -1.082 1.00 0.00 C ATOM 339 CD GLN A 27 -12.884 6.971 -0.438 1.00 0.00 C ATOM 340 OE1 GLN A 27 -13.278 7.920 -1.095 1.00 0.00 O ATOM 341 NE2 GLN A 27 -12.714 6.999 0.881 1.00 0.00 N ATOM 0 H GLN A 27 -13.094 3.677 0.928 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.659 5.843 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.483 3.716 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.376 5.072 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.788 5.115 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.103 5.793 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.381 6.168 1.370 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.917 7.851 1.403 1.00 0.00 H new ATOM 350 N ALA A 28 -16.999 4.990 0.471 1.00 0.00 N ATOM 351 CA ALA A 28 -18.405 4.662 0.310 1.00 0.00 C ATOM 352 C ALA A 28 -18.824 4.931 -1.139 1.00 0.00 C ATOM 353 O ALA A 28 -19.341 6.003 -1.449 1.00 0.00 O ATOM 354 CB ALA A 28 -19.234 5.463 1.315 1.00 0.00 C ATOM 0 H ALA A 28 -16.808 5.734 1.142 1.00 0.00 H new ATOM 0 HA ALA A 28 -18.579 3.605 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -20.289 5.217 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.917 5.215 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.088 6.529 1.140 1.00 0.00 H new ATOM 360 N GLY A 29 -18.588 3.940 -1.982 1.00 0.00 N ATOM 361 CA GLY A 29 -18.934 4.055 -3.389 1.00 0.00 C ATOM 362 C GLY A 29 -17.904 4.904 -4.139 1.00 0.00 C ATOM 363 O GLY A 29 -18.089 5.210 -5.316 1.00 0.00 O ATOM 0 H GLY A 29 -18.161 3.052 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.988 3.062 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.922 4.504 -3.489 1.00 0.00 H new ATOM 367 N THR A 30 -16.846 5.260 -3.425 1.00 0.00 N ATOM 368 CA THR A 30 -15.789 6.068 -4.008 1.00 0.00 C ATOM 369 C THR A 30 -14.698 5.174 -4.600 1.00 0.00 C ATOM 370 O THR A 30 -14.821 3.948 -4.588 1.00 0.00 O ATOM 371 CB THR A 30 -15.274 7.023 -2.930 1.00 0.00 C ATOM 372 OG1 THR A 30 -16.058 6.706 -1.782 1.00 0.00 O ATOM 373 CG2 THR A 30 -15.620 8.483 -3.226 1.00 0.00 C ATOM 0 H THR A 30 -16.698 5.004 -2.449 1.00 0.00 H new ATOM 0 HA THR A 30 -16.162 6.665 -4.840 1.00 0.00 H new ATOM 0 HB THR A 30 -14.193 6.918 -2.839 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.789 7.278 -1.034 1.00 0.00 H new ATOM 0 HG21 THR A 30 -15.231 9.118 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.173 8.777 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.703 8.596 -3.284 1.00 0.00 H new ATOM 381 N ALA A 31 -13.656 5.819 -5.101 1.00 0.00 N ATOM 382 CA ALA A 31 -12.544 5.096 -5.694 1.00 0.00 C ATOM 383 C ALA A 31 -11.233 5.807 -5.346 1.00 0.00 C ATOM 384 O ALA A 31 -11.065 6.987 -5.648 1.00 0.00 O ATOM 385 CB ALA A 31 -12.759 4.978 -7.204 1.00 0.00 C ATOM 0 H ALA A 31 -13.558 6.834 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.487 4.084 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.925 4.436 -7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.687 4.440 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.819 5.974 -7.642 1.00 0.00 H new ATOM 391 N TYR A 32 -10.341 5.059 -4.714 1.00 0.00 N ATOM 392 CA TYR A 32 -9.052 5.604 -4.322 1.00 0.00 C ATOM 393 C TYR A 32 -7.908 4.861 -5.014 1.00 0.00 C ATOM 394 O TYR A 32 -8.147 3.956 -5.814 1.00 0.00 O ATOM 395 CB TYR A 32 -8.946 5.386 -2.811 1.00 0.00 C ATOM 396 CG TYR A 32 -9.536 6.523 -1.975 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.329 7.480 -2.575 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.274 6.592 -0.622 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.885 8.550 -1.786 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.828 7.663 0.166 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.608 8.588 -0.456 1.00 0.00 C ATOM 402 OH TYR A 32 -11.133 9.598 0.288 1.00 0.00 O ATOM 0 H TYR A 32 -10.485 4.081 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.979 6.655 -4.600 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.454 4.457 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.896 5.260 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.533 7.427 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.653 5.843 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.508 9.305 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.629 7.730 1.225 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.852 9.497 1.221 1.00 0.00 H new ATOM 412 N ASP A 33 -6.694 5.268 -4.684 1.00 0.00 N ATOM 413 CA ASP A 33 -5.512 4.654 -5.263 1.00 0.00 C ATOM 414 C ASP A 33 -4.952 3.614 -4.288 1.00 0.00 C ATOM 415 O ASP A 33 -4.470 3.965 -3.214 1.00 0.00 O ATOM 416 CB ASP A 33 -4.421 5.693 -5.525 1.00 0.00 C ATOM 417 CG ASP A 33 -3.294 5.227 -6.450 1.00 0.00 C ATOM 418 OD1 ASP A 33 -2.902 4.049 -6.318 1.00 0.00 O ATOM 419 OD2 ASP A 33 -2.849 6.065 -7.267 1.00 0.00 O ATOM 0 H ASP A 33 -6.502 6.018 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.802 4.192 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.882 6.581 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.988 5.992 -4.570 1.00 0.00 H new ATOM 425 N VAL A 34 -5.037 2.358 -4.700 1.00 0.00 N ATOM 426 CA VAL A 34 -4.544 1.265 -3.877 1.00 0.00 C ATOM 427 C VAL A 34 -3.049 1.073 -4.135 1.00 0.00 C ATOM 428 O VAL A 34 -2.589 1.197 -5.268 1.00 0.00 O ATOM 429 CB VAL A 34 -5.365 0.001 -4.141 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.557 -1.016 -4.952 1.00 0.00 C ATOM 431 CG2 VAL A 34 -5.863 -0.613 -2.831 1.00 0.00 C ATOM 0 H VAL A 34 -5.440 2.072 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.663 1.498 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.237 0.284 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.162 -1.906 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.274 -0.576 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.659 -1.291 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.444 -1.510 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.010 -0.875 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.490 0.108 -2.307 1.00 0.00 H new ATOM 441 N GLY A 35 -2.331 0.773 -3.063 1.00 0.00 N ATOM 442 CA GLY A 35 -0.896 0.563 -3.157 1.00 0.00 C ATOM 443 C GLY A 35 -0.237 0.651 -1.781 1.00 0.00 C ATOM 444 O GLY A 35 -0.775 1.279 -0.869 1.00 0.00 O ATOM 0 H GLY A 35 -2.716 0.670 -2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.696 -0.414 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.459 1.308 -3.822 1.00 0.00 H new ATOM 448 N GLN A 36 0.919 0.012 -1.671 1.00 0.00 N ATOM 449 CA GLN A 36 1.659 0.011 -0.420 1.00 0.00 C ATOM 450 C GLN A 36 2.669 1.161 -0.398 1.00 0.00 C ATOM 451 O GLN A 36 3.741 1.060 -0.991 1.00 0.00 O ATOM 452 CB GLN A 36 2.353 -1.334 -0.195 1.00 0.00 C ATOM 453 CG GLN A 36 3.454 -1.563 -1.234 1.00 0.00 C ATOM 454 CD GLN A 36 3.304 -2.933 -1.897 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.637 -3.824 -1.397 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.960 -3.051 -3.049 1.00 0.00 N ATOM 0 H GLN A 36 1.361 -0.509 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 36 0.953 0.159 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.781 -1.363 0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.621 -2.139 -0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.412 -0.781 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.431 -1.491 -0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.500 -2.265 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.923 -3.927 -3.570 1.00 0.00 H new ATOM 465 N CYS A 37 2.288 2.227 0.292 1.00 0.00 N ATOM 466 CA CYS A 37 3.147 3.392 0.398 1.00 0.00 C ATOM 467 C CYS A 37 3.748 3.420 1.804 1.00 0.00 C ATOM 468 O CYS A 37 3.158 2.894 2.747 1.00 0.00 O ATOM 469 CB CYS A 37 2.391 4.683 0.074 1.00 0.00 C ATOM 470 SG CYS A 37 3.420 6.014 -0.648 1.00 0.00 S ATOM 0 H CYS A 37 1.397 2.307 0.782 1.00 0.00 H new ATOM 0 HA CYS A 37 3.949 3.324 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.583 4.450 -0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.928 5.056 0.988 1.00 0.00 H new ATOM 475 N ALA A 38 4.915 4.041 1.904 1.00 0.00 N ATOM 476 CA ALA A 38 5.602 4.144 3.180 1.00 0.00 C ATOM 477 C ALA A 38 6.952 4.833 2.974 1.00 0.00 C ATOM 478 O ALA A 38 7.416 4.972 1.842 1.00 0.00 O ATOM 479 CB ALA A 38 5.746 2.752 3.797 1.00 0.00 C ATOM 0 H ALA A 38 5.402 4.478 1.121 1.00 0.00 H new ATOM 0 HA ALA A 38 5.025 4.751 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.261 2.830 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.758 2.318 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.321 2.114 3.126 1.00 0.00 H new ATOM 485 N TRP A 39 7.547 5.244 4.084 1.00 0.00 N ATOM 486 CA TRP A 39 8.836 5.915 4.037 1.00 0.00 C ATOM 487 C TRP A 39 9.912 4.853 3.799 1.00 0.00 C ATOM 488 O TRP A 39 10.209 4.054 4.687 1.00 0.00 O ATOM 489 CB TRP A 39 9.074 6.732 5.308 1.00 0.00 C ATOM 490 CG TRP A 39 9.153 5.891 6.584 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.145 5.338 7.273 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.352 5.525 7.299 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.603 4.650 8.375 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.989 4.765 8.392 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.699 5.827 7.032 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.914 4.243 9.305 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.610 5.298 7.953 1.00 0.00 C ATOM 498 CH2 TRP A 39 12.261 4.531 9.059 1.00 0.00 C ATOM 0 H TRP A 39 7.161 5.126 5.021 1.00 0.00 H new ATOM 0 HA TRP A 39 8.868 6.634 3.218 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.001 7.294 5.198 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.270 7.461 5.415 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.104 5.421 6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.031 4.148 9.054 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.006 6.420 6.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.604 3.650 10.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.659 5.500 7.793 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.026 4.159 9.725 1.00 0.00 H new ATOM 509 N VAL A 40 10.466 4.878 2.595 1.00 0.00 N ATOM 510 CA VAL A 40 11.503 3.928 2.230 1.00 0.00 C ATOM 511 C VAL A 40 12.874 4.587 2.399 1.00 0.00 C ATOM 512 O VAL A 40 13.792 3.984 2.954 1.00 0.00 O ATOM 513 CB VAL A 40 11.260 3.411 0.811 1.00 0.00 C ATOM 514 CG1 VAL A 40 12.220 4.065 -0.185 1.00 0.00 C ATOM 515 CG2 VAL A 40 11.371 1.886 0.758 1.00 0.00 C ATOM 0 H VAL A 40 10.216 5.541 1.861 1.00 0.00 H new ATOM 0 HA VAL A 40 11.476 3.060 2.888 1.00 0.00 H new ATOM 0 HB VAL A 40 10.244 3.685 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.025 3.679 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.072 5.145 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.248 3.838 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.194 1.544 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.369 1.583 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.629 1.444 1.423 1.00 0.00 H new ATOM 525 N ASP A 41 12.970 5.814 1.912 1.00 0.00 N ATOM 526 CA ASP A 41 14.214 6.560 2.003 1.00 0.00 C ATOM 527 C ASP A 41 14.271 7.287 3.348 1.00 0.00 C ATOM 528 O ASP A 41 13.528 6.953 4.269 1.00 0.00 O ATOM 529 CB ASP A 41 14.309 7.610 0.893 1.00 0.00 C ATOM 530 CG ASP A 41 15.605 7.575 0.079 1.00 0.00 C ATOM 531 OD1 ASP A 41 15.693 8.373 -0.880 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.475 6.751 0.433 1.00 0.00 O ATOM 0 H ASP A 41 12.207 6.311 1.453 1.00 0.00 H new ATOM 0 HA ASP A 41 15.039 5.854 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.467 7.476 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.204 8.599 1.339 1.00 0.00 H new ATOM 538 N THR A 42 15.158 8.268 3.417 1.00 0.00 N ATOM 539 CA THR A 42 15.321 9.047 4.634 1.00 0.00 C ATOM 540 C THR A 42 14.020 9.774 4.980 1.00 0.00 C ATOM 541 O THR A 42 13.881 10.963 4.706 1.00 0.00 O ATOM 542 CB THR A 42 16.511 9.987 4.437 1.00 0.00 C ATOM 543 OG1 THR A 42 17.648 9.130 4.518 1.00 0.00 O ATOM 544 CG2 THR A 42 16.693 10.955 5.608 1.00 0.00 C ATOM 0 H THR A 42 15.772 8.542 2.650 1.00 0.00 H new ATOM 0 HA THR A 42 15.534 8.406 5.489 1.00 0.00 H new ATOM 0 HB THR A 42 16.377 10.552 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.465 9.658 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.551 11.599 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.797 11.566 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.860 10.390 6.525 1.00 0.00 H new ATOM 552 N GLY A 43 13.104 9.028 5.577 1.00 0.00 N ATOM 553 CA GLY A 43 11.819 9.587 5.963 1.00 0.00 C ATOM 554 C GLY A 43 11.046 10.079 4.739 1.00 0.00 C ATOM 555 O GLY A 43 10.192 10.959 4.851 1.00 0.00 O ATOM 0 H GLY A 43 13.225 8.041 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.233 8.833 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.972 10.413 6.658 1.00 0.00 H new ATOM 559 N VAL A 44 11.371 9.492 3.597 1.00 0.00 N ATOM 560 CA VAL A 44 10.717 9.860 2.352 1.00 0.00 C ATOM 561 C VAL A 44 9.596 8.860 2.056 1.00 0.00 C ATOM 562 O VAL A 44 9.861 7.713 1.700 1.00 0.00 O ATOM 563 CB VAL A 44 11.749 9.952 1.227 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.069 10.214 -0.119 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.796 11.027 1.530 1.00 0.00 C ATOM 0 H VAL A 44 12.079 8.763 3.507 1.00 0.00 H new ATOM 0 HA VAL A 44 10.260 10.846 2.436 1.00 0.00 H new ATOM 0 HB VAL A 44 12.262 8.993 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.824 10.275 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.379 9.400 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.518 11.154 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.518 11.072 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.305 11.994 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.312 10.781 2.458 1.00 0.00 H new ATOM 575 N LEU A 45 8.369 9.333 2.213 1.00 0.00 N ATOM 576 CA LEU A 45 7.207 8.496 1.967 1.00 0.00 C ATOM 577 C LEU A 45 7.151 8.134 0.481 1.00 0.00 C ATOM 578 O LEU A 45 6.554 8.860 -0.314 1.00 0.00 O ATOM 579 CB LEU A 45 5.937 9.176 2.484 1.00 0.00 C ATOM 580 CG LEU A 45 5.087 8.355 3.455 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.459 9.250 4.526 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.034 7.536 2.706 1.00 0.00 C ATOM 0 H LEU A 45 8.154 10.286 2.508 1.00 0.00 H new ATOM 0 HA LEU A 45 7.287 7.560 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.221 10.106 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.318 9.445 1.628 1.00 0.00 H new ATOM 0 HG LEU A 45 5.741 7.649 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.860 8.641 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.246 9.751 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.823 9.996 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.444 6.962 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.379 8.207 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.528 6.855 2.013 1.00 0.00 H new ATOM 594 N ALA A 46 7.777 7.016 0.152 1.00 0.00 N ATOM 595 CA ALA A 46 7.806 6.550 -1.225 1.00 0.00 C ATOM 596 C ALA A 46 6.822 5.391 -1.385 1.00 0.00 C ATOM 597 O ALA A 46 6.623 4.606 -0.459 1.00 0.00 O ATOM 598 CB ALA A 46 9.235 6.157 -1.602 1.00 0.00 C ATOM 0 H ALA A 46 8.269 6.417 0.815 1.00 0.00 H new ATOM 0 HA ALA A 46 7.497 7.343 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.256 5.808 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.890 7.022 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.579 5.360 -0.942 1.00 0.00 H new ATOM 604 N CYS A 47 6.229 5.320 -2.570 1.00 0.00 N ATOM 605 CA CYS A 47 5.272 4.269 -2.864 1.00 0.00 C ATOM 606 C CYS A 47 5.940 3.253 -3.794 1.00 0.00 C ATOM 607 O CYS A 47 6.858 3.599 -4.538 1.00 0.00 O ATOM 608 CB CYS A 47 3.981 4.831 -3.468 1.00 0.00 C ATOM 609 SG CYS A 47 3.335 6.326 -2.635 1.00 0.00 S ATOM 0 H CYS A 47 6.394 5.974 -3.336 1.00 0.00 H new ATOM 0 HA CYS A 47 4.979 3.774 -1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.159 5.065 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.215 4.056 -3.439 1.00 0.00 H new ATOM 614 N ASN A 48 5.454 2.023 -3.723 1.00 0.00 N ATOM 615 CA ASN A 48 5.994 0.957 -4.549 1.00 0.00 C ATOM 616 C ASN A 48 5.470 1.110 -5.979 1.00 0.00 C ATOM 617 O ASN A 48 4.549 1.886 -6.226 1.00 0.00 O ATOM 618 CB ASN A 48 5.559 -0.416 -4.029 1.00 0.00 C ATOM 619 CG ASN A 48 6.496 -0.906 -2.924 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.989 0.067 -2.162 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 6.754 -2.089 -2.773 1.00 0.00 N flip ATOM 0 H ASN A 48 4.692 1.741 -3.106 1.00 0.00 H new ATOM 0 HA ASN A 48 7.081 1.025 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.540 -0.358 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.552 -1.134 -4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.341 -2.784 -3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.383 -2.382 -2.026 1.00 0.00 H new ATOM 628 N PRO A 49 6.096 0.336 -6.906 1.00 0.00 N ATOM 629 CA PRO A 49 5.704 0.378 -8.304 1.00 0.00 C ATOM 630 C PRO A 49 4.383 -0.364 -8.524 1.00 0.00 C ATOM 631 O PRO A 49 3.734 -0.189 -9.554 1.00 0.00 O ATOM 632 CB PRO A 49 6.866 -0.242 -9.059 1.00 0.00 C ATOM 633 CG PRO A 49 7.661 -1.028 -8.028 1.00 0.00 C ATOM 634 CD PRO A 49 7.191 -0.595 -6.648 1.00 0.00 C ATOM 0 HA PRO A 49 5.514 1.392 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.510 -0.893 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.483 0.526 -9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.509 -2.099 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.728 -0.840 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.855 -1.448 -6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.994 -0.116 -6.088 1.00 0.00 H new ATOM 642 N ALA A 50 4.027 -1.176 -7.541 1.00 0.00 N ATOM 643 CA ALA A 50 2.797 -1.946 -7.615 1.00 0.00 C ATOM 644 C ALA A 50 1.751 -1.317 -6.692 1.00 0.00 C ATOM 645 O ALA A 50 0.716 -1.924 -6.417 1.00 0.00 O ATOM 646 CB ALA A 50 3.084 -3.406 -7.259 1.00 0.00 C ATOM 0 H ALA A 50 4.569 -1.318 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 50 2.396 -1.931 -8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.161 -3.982 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.810 -3.816 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.486 -3.462 -6.247 1.00 0.00 H new ATOM 652 N ASP A 51 2.057 -0.110 -6.243 1.00 0.00 N ATOM 653 CA ASP A 51 1.152 0.608 -5.356 1.00 0.00 C ATOM 654 C ASP A 51 0.194 1.456 -6.192 1.00 0.00 C ATOM 655 O ASP A 51 -0.527 2.297 -5.654 1.00 0.00 O ATOM 656 CB ASP A 51 1.927 1.545 -4.427 1.00 0.00 C ATOM 657 CG ASP A 51 1.268 2.907 -4.190 1.00 0.00 C ATOM 658 OD1 ASP A 51 1.318 3.733 -5.127 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.731 3.090 -3.075 1.00 0.00 O ATOM 0 H ASP A 51 2.915 0.390 -6.474 1.00 0.00 H new ATOM 0 HA ASP A 51 0.608 -0.124 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.061 1.050 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.921 1.706 -4.844 1.00 0.00 H new ATOM 665 N PHE A 52 0.213 1.207 -7.493 1.00 0.00 N ATOM 666 CA PHE A 52 -0.648 1.938 -8.409 1.00 0.00 C ATOM 667 C PHE A 52 -1.782 1.049 -8.920 1.00 0.00 C ATOM 668 O PHE A 52 -1.681 0.464 -9.998 1.00 0.00 O ATOM 669 CB PHE A 52 0.222 2.366 -9.594 1.00 0.00 C ATOM 670 CG PHE A 52 1.663 2.713 -9.215 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.934 3.260 -8.000 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.673 2.471 -10.092 1.00 0.00 C ATOM 673 CE1 PHE A 52 3.271 3.581 -7.646 1.00 0.00 C ATOM 674 CE2 PHE A 52 4.010 2.792 -9.739 1.00 0.00 C ATOM 675 CZ PHE A 52 4.281 3.341 -8.526 1.00 0.00 C ATOM 0 H PHE A 52 0.811 0.509 -7.935 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.093 2.793 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.234 1.563 -10.331 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.235 3.232 -10.073 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.131 3.451 -7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.458 2.035 -11.056 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.486 4.015 -6.681 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.813 2.600 -10.435 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.298 3.587 -8.260 1.00 0.00 H new ATOM 685 N SER A 53 -2.837 0.976 -8.123 1.00 0.00 N ATOM 686 CA SER A 53 -3.994 0.168 -8.483 1.00 0.00 C ATOM 687 C SER A 53 -5.263 0.775 -7.885 1.00 0.00 C ATOM 688 O SER A 53 -5.679 0.401 -6.789 1.00 0.00 O ATOM 689 CB SER A 53 -3.822 -1.277 -8.009 1.00 0.00 C ATOM 690 OG SER A 53 -5.060 -1.858 -7.610 1.00 0.00 O ATOM 0 H SER A 53 -2.917 1.462 -7.230 1.00 0.00 H new ATOM 0 HA SER A 53 -4.082 0.159 -9.569 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.384 -1.872 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.123 -1.304 -7.173 1.00 0.00 H new ATOM 0 HG SER A 53 -5.099 -2.788 -7.918 1.00 0.00 H new ATOM 696 N SER A 54 -5.844 1.704 -8.631 1.00 0.00 N ATOM 697 CA SER A 54 -7.060 2.366 -8.187 1.00 0.00 C ATOM 698 C SER A 54 -8.145 1.330 -7.899 1.00 0.00 C ATOM 699 O SER A 54 -8.362 0.414 -8.691 1.00 0.00 O ATOM 700 CB SER A 54 -7.549 3.372 -9.231 1.00 0.00 C ATOM 701 OG SER A 54 -7.523 2.831 -10.548 1.00 0.00 O ATOM 0 H SER A 54 -5.496 2.014 -9.538 1.00 0.00 H new ATOM 0 HA SER A 54 -6.838 2.912 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.565 3.683 -8.987 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.925 4.265 -9.194 1.00 0.00 H new ATOM 0 HG SER A 54 -7.844 3.504 -11.184 1.00 0.00 H new ATOM 707 N VAL A 55 -8.803 1.510 -6.762 1.00 0.00 N ATOM 708 CA VAL A 55 -9.864 0.600 -6.360 1.00 0.00 C ATOM 709 C VAL A 55 -11.110 1.407 -5.992 1.00 0.00 C ATOM 710 O VAL A 55 -11.046 2.628 -5.859 1.00 0.00 O ATOM 711 CB VAL A 55 -9.376 -0.300 -5.223 1.00 0.00 C ATOM 712 CG1 VAL A 55 -8.203 -1.171 -5.677 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.002 0.526 -3.991 1.00 0.00 C ATOM 0 H VAL A 55 -8.622 2.271 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.137 -0.059 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.196 -0.962 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.876 -1.801 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.518 -1.800 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.378 -0.533 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.659 -0.138 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.206 1.225 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.874 1.081 -3.647 1.00 0.00 H new ATOM 723 N THR A 56 -12.214 0.694 -5.838 1.00 0.00 N ATOM 724 CA THR A 56 -13.474 1.328 -5.488 1.00 0.00 C ATOM 725 C THR A 56 -14.231 0.482 -4.462 1.00 0.00 C ATOM 726 O THR A 56 -14.279 -0.742 -4.576 1.00 0.00 O ATOM 727 CB THR A 56 -14.258 1.565 -6.779 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.355 2.984 -6.873 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.713 1.101 -6.674 1.00 0.00 C ATOM 0 H THR A 56 -12.263 -0.319 -5.949 1.00 0.00 H new ATOM 0 HA THR A 56 -13.311 2.293 -5.008 1.00 0.00 H new ATOM 0 HB THR A 56 -13.767 1.044 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.893 3.325 -6.128 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.225 1.292 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.740 0.033 -6.456 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.212 1.647 -5.873 1.00 0.00 H new ATOM 737 N ALA A 57 -14.804 1.168 -3.485 1.00 0.00 N ATOM 738 CA ALA A 57 -15.557 0.494 -2.440 1.00 0.00 C ATOM 739 C ALA A 57 -17.054 0.627 -2.728 1.00 0.00 C ATOM 740 O ALA A 57 -17.533 1.716 -3.044 1.00 0.00 O ATOM 741 CB ALA A 57 -15.172 1.074 -1.077 1.00 0.00 C ATOM 0 H ALA A 57 -14.763 2.183 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.318 -0.569 -2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.737 0.568 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.105 0.927 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.399 2.140 -1.058 1.00 0.00 H new ATOM 747 N ASP A 58 -17.751 -0.493 -2.609 1.00 0.00 N ATOM 748 CA ASP A 58 -19.182 -0.515 -2.852 1.00 0.00 C ATOM 749 C ASP A 58 -19.858 0.551 -1.987 1.00 0.00 C ATOM 750 O ASP A 58 -19.300 0.984 -0.981 1.00 0.00 O ATOM 751 CB ASP A 58 -19.782 -1.872 -2.487 1.00 0.00 C ATOM 752 CG ASP A 58 -18.821 -3.057 -2.599 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.760 -2.869 -3.233 1.00 0.00 O ATOM 754 OD2 ASP A 58 -19.169 -4.125 -2.051 1.00 0.00 O ATOM 0 H ASP A 58 -17.350 -1.393 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.347 -0.323 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.157 -1.823 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.640 -2.058 -3.132 1.00 0.00 H new ATOM 760 N ALA A 59 -21.050 0.941 -2.411 1.00 0.00 N ATOM 761 CA ALA A 59 -21.809 1.948 -1.687 1.00 0.00 C ATOM 762 C ALA A 59 -21.680 1.693 -0.185 1.00 0.00 C ATOM 763 O ALA A 59 -21.747 2.628 0.614 1.00 0.00 O ATOM 764 CB ALA A 59 -23.263 1.927 -2.160 1.00 0.00 C ATOM 0 H ALA A 59 -21.510 0.579 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.416 2.945 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.833 2.682 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.301 2.141 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.693 0.943 -1.972 1.00 0.00 H new ATOM 770 N ASN A 60 -21.499 0.427 0.157 1.00 0.00 N ATOM 771 CA ASN A 60 -21.361 0.038 1.550 1.00 0.00 C ATOM 772 C ASN A 60 -19.885 0.111 1.951 1.00 0.00 C ATOM 773 O ASN A 60 -19.416 -0.692 2.755 1.00 0.00 O ATOM 774 CB ASN A 60 -21.840 -1.398 1.772 1.00 0.00 C ATOM 775 CG ASN A 60 -22.327 -1.598 3.208 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.166 -0.749 4.070 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.932 -2.764 3.417 1.00 0.00 N ATOM 0 H ASN A 60 -21.445 -0.345 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.966 0.717 2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.646 -1.628 1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.028 -2.093 1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.294 -2.992 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.034 -3.430 2.651 1.00 0.00 H new ATOM 784 N GLY A 61 -19.195 1.083 1.371 1.00 0.00 N ATOM 785 CA GLY A 61 -17.783 1.272 1.659 1.00 0.00 C ATOM 786 C GLY A 61 -17.043 -0.067 1.670 1.00 0.00 C ATOM 787 O GLY A 61 -16.187 -0.300 2.524 1.00 0.00 O ATOM 0 H GLY A 61 -19.587 1.747 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.340 1.930 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.668 1.764 2.625 1.00 0.00 H new ATOM 791 N SER A 62 -17.399 -0.914 0.717 1.00 0.00 N ATOM 792 CA SER A 62 -16.779 -2.224 0.608 1.00 0.00 C ATOM 793 C SER A 62 -15.691 -2.201 -0.468 1.00 0.00 C ATOM 794 O SER A 62 -15.975 -2.404 -1.647 1.00 0.00 O ATOM 795 CB SER A 62 -17.819 -3.300 0.287 1.00 0.00 C ATOM 796 OG SER A 62 -19.133 -2.759 0.181 1.00 0.00 O ATOM 0 H SER A 62 -18.110 -0.719 0.012 1.00 0.00 H new ATOM 0 HA SER A 62 -16.326 -2.469 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.554 -3.793 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.803 -4.063 1.065 1.00 0.00 H new ATOM 0 HG SER A 62 -19.786 -3.489 0.150 1.00 0.00 H new ATOM 802 N ALA A 63 -14.469 -1.948 -0.023 1.00 0.00 N ATOM 803 CA ALA A 63 -13.338 -1.895 -0.933 1.00 0.00 C ATOM 804 C ALA A 63 -12.572 -3.218 -0.867 1.00 0.00 C ATOM 805 O ALA A 63 -11.595 -3.339 -0.132 1.00 0.00 O ATOM 806 CB ALA A 63 -12.456 -0.694 -0.581 1.00 0.00 C ATOM 0 H ALA A 63 -14.238 -1.778 0.956 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.678 -1.762 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.607 -0.654 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.038 0.223 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.094 -0.796 0.442 1.00 0.00 H new ATOM 812 N SER A 64 -13.050 -4.180 -1.644 1.00 0.00 N ATOM 813 CA SER A 64 -12.426 -5.489 -1.683 1.00 0.00 C ATOM 814 C SER A 64 -11.476 -5.581 -2.881 1.00 0.00 C ATOM 815 O SER A 64 -11.823 -6.156 -3.912 1.00 0.00 O ATOM 816 CB SER A 64 -13.475 -6.601 -1.754 1.00 0.00 C ATOM 817 OG SER A 64 -14.468 -6.335 -2.742 1.00 0.00 O ATOM 0 H SER A 64 -13.863 -4.077 -2.251 1.00 0.00 H new ATOM 0 HA SER A 64 -11.857 -5.622 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.985 -7.548 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.953 -6.712 -0.780 1.00 0.00 H new ATOM 0 HG SER A 64 -14.034 -6.148 -3.600 1.00 0.00 H new ATOM 823 N THR A 65 -10.295 -5.003 -2.704 1.00 0.00 N ATOM 824 CA THR A 65 -9.294 -5.013 -3.757 1.00 0.00 C ATOM 825 C THR A 65 -8.138 -5.941 -3.383 1.00 0.00 C ATOM 826 O THR A 65 -7.608 -5.867 -2.277 1.00 0.00 O ATOM 827 CB THR A 65 -8.856 -3.567 -4.006 1.00 0.00 C ATOM 828 OG1 THR A 65 -7.845 -3.677 -5.002 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.133 -2.961 -2.803 1.00 0.00 C ATOM 0 H THR A 65 -10.010 -4.526 -1.849 1.00 0.00 H new ATOM 0 HA THR A 65 -9.701 -5.410 -4.687 1.00 0.00 H new ATOM 0 HB THR A 65 -9.728 -2.959 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.967 -3.525 -4.595 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.844 -1.935 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.797 -2.967 -1.939 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.242 -3.548 -2.580 1.00 0.00 H new ATOM 837 N SER A 66 -7.778 -6.797 -4.331 1.00 0.00 N ATOM 838 CA SER A 66 -6.692 -7.738 -4.114 1.00 0.00 C ATOM 839 C SER A 66 -5.481 -7.345 -4.961 1.00 0.00 C ATOM 840 O SER A 66 -5.626 -6.992 -6.132 1.00 0.00 O ATOM 841 CB SER A 66 -7.132 -9.167 -4.448 1.00 0.00 C ATOM 842 OG SER A 66 -7.503 -9.307 -5.817 1.00 0.00 O ATOM 0 H SER A 66 -8.219 -6.858 -5.249 1.00 0.00 H new ATOM 0 HA SER A 66 -6.415 -7.706 -3.060 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.321 -9.858 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.974 -9.444 -3.814 1.00 0.00 H new ATOM 0 HG SER A 66 -7.775 -10.233 -5.989 1.00 0.00 H new ATOM 848 N LEU A 67 -4.315 -7.417 -4.336 1.00 0.00 N ATOM 849 CA LEU A 67 -3.079 -7.072 -5.021 1.00 0.00 C ATOM 850 C LEU A 67 -1.929 -7.888 -4.427 1.00 0.00 C ATOM 851 O LEU A 67 -2.119 -8.618 -3.456 1.00 0.00 O ATOM 852 CB LEU A 67 -2.847 -5.559 -4.975 1.00 0.00 C ATOM 853 CG LEU A 67 -2.685 -4.865 -6.328 1.00 0.00 C ATOM 854 CD1 LEU A 67 -1.366 -5.264 -6.996 1.00 0.00 C ATOM 855 CD2 LEU A 67 -3.890 -5.136 -7.232 1.00 0.00 C ATOM 0 H LEU A 67 -4.199 -7.708 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.142 -7.331 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.684 -5.099 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.954 -5.366 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.646 -3.789 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.276 -4.756 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.532 -4.978 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.349 -6.343 -7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.749 -4.631 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.985 -6.209 -7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.795 -4.761 -6.754 1.00 0.00 H new ATOM 867 N THR A 68 -0.763 -7.737 -5.036 1.00 0.00 N ATOM 868 CA THR A 68 0.418 -8.451 -4.580 1.00 0.00 C ATOM 869 C THR A 68 1.330 -7.519 -3.779 1.00 0.00 C ATOM 870 O THR A 68 1.563 -6.380 -4.181 1.00 0.00 O ATOM 871 CB THR A 68 1.100 -9.067 -5.804 1.00 0.00 C ATOM 872 OG1 THR A 68 0.275 -10.178 -6.140 1.00 0.00 O ATOM 873 CG2 THR A 68 2.454 -9.694 -5.467 1.00 0.00 C ATOM 0 H THR A 68 -0.610 -7.131 -5.842 1.00 0.00 H new ATOM 0 HA THR A 68 0.153 -9.258 -3.897 1.00 0.00 H new ATOM 0 HB THR A 68 1.236 -8.301 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.644 -10.634 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.894 -10.116 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.118 -8.930 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.316 -10.483 -4.728 1.00 0.00 H new ATOM 881 N VAL A 69 1.820 -8.039 -2.665 1.00 0.00 N ATOM 882 CA VAL A 69 2.702 -7.266 -1.806 1.00 0.00 C ATOM 883 C VAL A 69 4.152 -7.473 -2.249 1.00 0.00 C ATOM 884 O VAL A 69 4.837 -8.360 -1.746 1.00 0.00 O ATOM 885 CB VAL A 69 2.467 -7.644 -0.340 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.309 -6.772 0.593 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.981 -7.552 0.017 1.00 0.00 C ATOM 0 H VAL A 69 1.624 -8.985 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 69 2.484 -6.202 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 69 2.782 -8.679 -0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.123 -7.061 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.366 -6.908 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.039 -5.725 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.840 -7.825 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.631 -6.532 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.412 -8.233 -0.616 1.00 0.00 H new ATOM 897 N ARG A 70 4.574 -6.639 -3.189 1.00 0.00 N ATOM 898 CA ARG A 70 5.927 -6.720 -3.707 1.00 0.00 C ATOM 899 C ARG A 70 6.846 -5.761 -2.944 1.00 0.00 C ATOM 900 O ARG A 70 6.835 -4.558 -3.195 1.00 0.00 O ATOM 901 CB ARG A 70 5.967 -6.378 -5.198 1.00 0.00 C ATOM 902 CG ARG A 70 4.960 -7.220 -5.982 1.00 0.00 C ATOM 903 CD ARG A 70 4.377 -6.429 -7.155 1.00 0.00 C ATOM 904 NE ARG A 70 3.666 -7.342 -8.078 1.00 0.00 N ATOM 905 CZ ARG A 70 4.277 -8.150 -8.953 1.00 0.00 C ATOM 906 NH1 ARG A 70 5.614 -8.165 -9.031 1.00 0.00 N ATOM 907 NH2 ARG A 70 3.550 -8.943 -9.751 1.00 0.00 N ATOM 0 H ARG A 70 4.001 -5.904 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 70 6.274 -7.745 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.748 -5.319 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.971 -6.550 -5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.446 -8.122 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.156 -7.541 -5.320 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.692 -5.666 -6.785 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.175 -5.910 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 70 2.647 -7.356 -8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.167 -7.561 -8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.079 -8.781 -9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.532 -8.931 -9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.015 -9.559 -10.418 1.00 0.00 H new ATOM 921 N ARG A 71 7.617 -6.332 -2.031 1.00 0.00 N ATOM 922 CA ARG A 71 8.537 -5.543 -1.231 1.00 0.00 C ATOM 923 C ARG A 71 9.791 -5.208 -2.041 1.00 0.00 C ATOM 924 O ARG A 71 10.447 -4.199 -1.789 1.00 0.00 O ATOM 925 CB ARG A 71 8.945 -6.293 0.038 1.00 0.00 C ATOM 926 CG ARG A 71 9.178 -5.322 1.198 1.00 0.00 C ATOM 927 CD ARG A 71 9.172 -6.057 2.540 1.00 0.00 C ATOM 928 NE ARG A 71 8.314 -7.259 2.453 1.00 0.00 N ATOM 929 CZ ARG A 71 6.980 -7.224 2.332 1.00 0.00 C ATOM 930 NH1 ARG A 71 6.344 -6.045 2.281 1.00 0.00 N ATOM 931 NH2 ARG A 71 6.283 -8.365 2.261 1.00 0.00 N ATOM 0 H ARG A 71 7.623 -7.331 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 71 8.026 -4.623 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.168 -7.008 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.853 -6.866 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.132 -4.812 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.403 -4.555 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.188 -6.344 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.807 -5.395 3.325 1.00 0.00 H new ATOM 0 HE ARG A 71 8.767 -8.172 2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.876 -5.176 2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.329 -6.017 2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.767 -9.262 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.268 -8.337 2.169 1.00 0.00 H new ATOM 945 N SER A 72 10.087 -6.076 -3.001 1.00 0.00 N ATOM 946 CA SER A 72 11.251 -5.883 -3.850 1.00 0.00 C ATOM 947 C SER A 72 10.828 -5.270 -5.186 1.00 0.00 C ATOM 948 O SER A 72 10.125 -5.907 -5.969 1.00 0.00 O ATOM 949 CB SER A 72 11.986 -7.205 -4.081 1.00 0.00 C ATOM 950 OG SER A 72 13.365 -7.115 -3.733 1.00 0.00 O ATOM 0 H SER A 72 9.541 -6.912 -3.208 1.00 0.00 H new ATOM 0 HA SER A 72 11.935 -5.200 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.514 -7.991 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.894 -7.493 -5.128 1.00 0.00 H new ATOM 0 HG SER A 72 13.800 -7.979 -3.893 1.00 0.00 H new ATOM 956 N PHE A 73 11.272 -4.041 -5.405 1.00 0.00 N ATOM 957 CA PHE A 73 10.949 -3.336 -6.632 1.00 0.00 C ATOM 958 C PHE A 73 11.408 -1.879 -6.565 1.00 0.00 C ATOM 959 O PHE A 73 12.042 -1.468 -5.593 1.00 0.00 O ATOM 960 CB PHE A 73 9.427 -3.372 -6.782 1.00 0.00 C ATOM 961 CG PHE A 73 8.945 -3.982 -8.099 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.688 -3.838 -9.229 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.773 -4.670 -8.142 1.00 0.00 C ATOM 964 CE1 PHE A 73 9.242 -4.403 -10.452 1.00 0.00 C ATOM 965 CE2 PHE A 73 7.325 -5.237 -9.364 1.00 0.00 C ATOM 966 CZ PHE A 73 8.069 -5.092 -10.494 1.00 0.00 C ATOM 0 H PHE A 73 11.853 -3.516 -4.752 1.00 0.00 H new ATOM 0 HA PHE A 73 11.452 -3.809 -7.475 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.004 -3.941 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.040 -2.356 -6.701 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.619 -3.292 -9.196 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.182 -4.785 -7.245 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.833 -4.286 -11.349 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.394 -5.783 -9.397 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.729 -5.523 -11.424 1.00 0.00 H new ATOM 976 N GLU A 74 11.069 -1.135 -7.608 1.00 0.00 N ATOM 977 CA GLU A 74 11.441 0.269 -7.678 1.00 0.00 C ATOM 978 C GLU A 74 10.336 1.140 -7.075 1.00 0.00 C ATOM 979 O GLU A 74 9.186 1.079 -7.508 1.00 0.00 O ATOM 980 CB GLU A 74 11.740 0.684 -9.120 1.00 0.00 C ATOM 981 CG GLU A 74 12.450 2.039 -9.164 1.00 0.00 C ATOM 982 CD GLU A 74 13.777 1.938 -9.920 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.815 1.830 -9.232 1.00 0.00 O ATOM 984 OE2 GLU A 74 13.723 1.971 -11.167 1.00 0.00 O ATOM 0 H GLU A 74 10.541 -1.477 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 74 12.351 0.415 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.362 -0.072 -9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.811 0.738 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.807 2.775 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.632 2.392 -8.149 1.00 0.00 H new ATOM 992 N GLY A 75 10.724 1.930 -6.086 1.00 0.00 N ATOM 993 CA GLY A 75 9.781 2.811 -5.417 1.00 0.00 C ATOM 994 C GLY A 75 9.968 4.260 -5.876 1.00 0.00 C ATOM 995 O GLY A 75 10.988 4.599 -6.472 1.00 0.00 O ATOM 0 H GLY A 75 11.679 1.979 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.762 2.487 -5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.919 2.746 -4.338 1.00 0.00 H new ATOM 999 N PHE A 76 8.964 5.074 -5.579 1.00 0.00 N ATOM 1000 CA PHE A 76 9.004 6.477 -5.953 1.00 0.00 C ATOM 1001 C PHE A 76 8.885 7.376 -4.721 1.00 0.00 C ATOM 1002 O PHE A 76 8.054 7.131 -3.847 1.00 0.00 O ATOM 1003 CB PHE A 76 7.808 6.728 -6.873 1.00 0.00 C ATOM 1004 CG PHE A 76 7.896 6.010 -8.220 1.00 0.00 C ATOM 1005 CD1 PHE A 76 7.676 4.671 -8.292 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.194 6.712 -9.347 1.00 0.00 C ATOM 1007 CE1 PHE A 76 7.757 4.002 -9.541 1.00 0.00 C ATOM 1008 CE2 PHE A 76 8.277 6.044 -10.598 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.057 4.703 -10.668 1.00 0.00 C ATOM 0 H PHE A 76 8.119 4.788 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 76 9.950 6.705 -6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.898 6.411 -6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.718 7.800 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.439 4.115 -7.397 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.367 7.776 -9.290 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.581 2.938 -9.597 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.515 6.600 -11.493 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.121 4.195 -11.619 1.00 0.00 H new ATOM 1019 N LEU A 77 9.726 8.399 -4.691 1.00 0.00 N ATOM 1020 CA LEU A 77 9.724 9.336 -3.581 1.00 0.00 C ATOM 1021 C LEU A 77 8.285 9.766 -3.284 1.00 0.00 C ATOM 1022 O LEU A 77 7.364 9.407 -4.012 1.00 0.00 O ATOM 1023 CB LEU A 77 10.669 10.506 -3.864 1.00 0.00 C ATOM 1024 CG LEU A 77 12.142 10.143 -4.072 1.00 0.00 C ATOM 1025 CD1 LEU A 77 12.900 11.294 -4.734 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.789 9.711 -2.756 1.00 0.00 C ATOM 0 H LEU A 77 10.413 8.600 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 77 10.107 8.858 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.314 11.027 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.602 11.210 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 77 12.194 9.292 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.944 11.011 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.453 11.514 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.844 12.179 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.835 9.458 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.728 10.527 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.266 8.839 -2.362 1.00 0.00 H new ATOM 1038 N PHE A 78 8.141 10.530 -2.210 1.00 0.00 N ATOM 1039 CA PHE A 78 6.829 11.012 -1.808 1.00 0.00 C ATOM 1040 C PHE A 78 6.416 12.229 -2.638 1.00 0.00 C ATOM 1041 O PHE A 78 5.227 12.503 -2.794 1.00 0.00 O ATOM 1042 CB PHE A 78 6.938 11.424 -0.338 1.00 0.00 C ATOM 1043 CG PHE A 78 7.459 12.846 -0.125 1.00 0.00 C ATOM 1044 CD1 PHE A 78 8.797 13.091 -0.160 1.00 0.00 C ATOM 1045 CD2 PHE A 78 6.588 13.866 0.096 1.00 0.00 C ATOM 1046 CE1 PHE A 78 9.282 14.409 0.036 1.00 0.00 C ATOM 1047 CE2 PHE A 78 7.073 15.185 0.293 1.00 0.00 C ATOM 1048 CZ PHE A 78 8.411 15.429 0.258 1.00 0.00 C ATOM 0 H PHE A 78 8.909 10.827 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 78 6.082 10.233 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.956 11.335 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.599 10.726 0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.490 12.282 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.526 13.672 0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 78 10.344 14.603 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.381 15.995 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.781 16.433 0.407 1.00 0.00 H new ATOM 1058 N ASP A 79 7.420 12.930 -3.146 1.00 0.00 N ATOM 1059 CA ASP A 79 7.176 14.112 -3.953 1.00 0.00 C ATOM 1060 C ASP A 79 6.682 13.684 -5.337 1.00 0.00 C ATOM 1061 O ASP A 79 5.613 14.106 -5.778 1.00 0.00 O ATOM 1062 CB ASP A 79 8.456 14.927 -4.140 1.00 0.00 C ATOM 1063 CG ASP A 79 9.748 14.106 -4.159 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.369 14.004 -3.080 1.00 0.00 O ATOM 1065 OD2 ASP A 79 10.083 13.600 -5.251 1.00 0.00 O ATOM 0 H ASP A 79 8.405 12.701 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 79 6.433 14.723 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.382 15.482 -5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.522 15.662 -3.337 1.00 0.00 H new ATOM 1071 N GLY A 80 7.482 12.851 -5.986 1.00 0.00 N ATOM 1072 CA GLY A 80 7.141 12.361 -7.310 1.00 0.00 C ATOM 1073 C GLY A 80 8.352 11.717 -7.986 1.00 0.00 C ATOM 1074 O GLY A 80 8.202 10.814 -8.810 1.00 0.00 O ATOM 0 H GLY A 80 8.367 12.503 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.333 11.634 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.773 13.184 -7.923 1.00 0.00 H new ATOM 1078 N THR A 81 9.528 12.205 -7.614 1.00 0.00 N ATOM 1079 CA THR A 81 10.764 11.690 -8.176 1.00 0.00 C ATOM 1080 C THR A 81 10.980 10.237 -7.741 1.00 0.00 C ATOM 1081 O THR A 81 10.828 9.907 -6.566 1.00 0.00 O ATOM 1082 CB THR A 81 11.899 12.624 -7.756 1.00 0.00 C ATOM 1083 OG1 THR A 81 11.663 13.813 -8.504 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.267 12.141 -8.247 1.00 0.00 C ATOM 0 H THR A 81 9.649 12.952 -6.930 1.00 0.00 H new ATOM 0 HA THR A 81 10.727 11.670 -9.265 1.00 0.00 H new ATOM 0 HB THR A 81 11.913 12.713 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.353 14.476 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.038 12.840 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.474 11.154 -7.834 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.264 12.085 -9.336 1.00 0.00 H new ATOM 1092 N ARG A 82 11.331 9.408 -8.713 1.00 0.00 N ATOM 1093 CA ARG A 82 11.571 8.000 -8.447 1.00 0.00 C ATOM 1094 C ARG A 82 12.829 7.828 -7.593 1.00 0.00 C ATOM 1095 O ARG A 82 13.851 8.462 -7.851 1.00 0.00 O ATOM 1096 CB ARG A 82 11.735 7.214 -9.748 1.00 0.00 C ATOM 1097 CG ARG A 82 12.688 7.931 -10.707 1.00 0.00 C ATOM 1098 CD ARG A 82 11.959 8.369 -11.979 1.00 0.00 C ATOM 1099 NE ARG A 82 12.354 7.501 -13.111 1.00 0.00 N ATOM 1100 CZ ARG A 82 11.782 7.542 -14.323 1.00 0.00 C ATOM 1101 NH1 ARG A 82 10.791 8.410 -14.569 1.00 0.00 N ATOM 1102 NH2 ARG A 82 12.204 6.718 -15.292 1.00 0.00 N ATOM 0 H ARG A 82 11.455 9.685 -9.687 1.00 0.00 H new ATOM 0 HA ARG A 82 10.706 7.612 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.117 6.217 -9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.763 7.086 -10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.120 8.801 -10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.514 7.269 -10.967 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.881 8.315 -11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.198 9.408 -12.206 1.00 0.00 H new ATOM 0 HE ARG A 82 13.108 6.830 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.471 9.040 -13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.357 8.440 -15.491 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.961 6.059 -15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.769 6.750 -16.214 1.00 0.00 H new ATOM 1116 N TRP A 83 12.713 6.966 -6.593 1.00 0.00 N ATOM 1117 CA TRP A 83 13.828 6.704 -5.698 1.00 0.00 C ATOM 1118 C TRP A 83 14.449 5.364 -6.100 1.00 0.00 C ATOM 1119 O TRP A 83 15.338 5.316 -6.948 1.00 0.00 O ATOM 1120 CB TRP A 83 13.379 6.739 -4.237 1.00 0.00 C ATOM 1121 CG TRP A 83 14.438 6.249 -3.248 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.325 5.274 -2.336 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.785 6.750 -3.110 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.494 5.111 -1.621 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.410 6.037 -2.108 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.450 7.771 -3.809 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.734 6.270 -1.713 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.773 7.991 -3.403 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.418 7.284 -2.397 1.00 0.00 C ATOM 0 H TRP A 83 11.865 6.440 -6.383 1.00 0.00 H new ATOM 0 HA TRP A 83 14.586 7.482 -5.787 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.100 7.760 -3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.484 6.126 -4.128 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.431 4.689 -2.180 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.656 4.436 -0.874 1.00 0.00 H new ATOM 0 HE3 TRP A 83 15.979 8.341 -4.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.202 5.699 -0.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.331 8.766 -3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.442 7.514 -2.143 1.00 0.00 H new ATOM 1140 N GLY A 84 13.954 4.306 -5.473 1.00 0.00 N ATOM 1141 CA GLY A 84 14.449 2.970 -5.754 1.00 0.00 C ATOM 1142 C GLY A 84 13.770 1.934 -4.855 1.00 0.00 C ATOM 1143 O GLY A 84 13.310 0.898 -5.333 1.00 0.00 O ATOM 0 H GLY A 84 13.215 4.348 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.268 2.724 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.528 2.938 -5.601 1.00 0.00 H new ATOM 1147 N THR A 85 13.730 2.251 -3.570 1.00 0.00 N ATOM 1148 CA THR A 85 13.116 1.359 -2.599 1.00 0.00 C ATOM 1149 C THR A 85 13.908 0.054 -2.498 1.00 0.00 C ATOM 1150 O THR A 85 14.503 -0.237 -1.461 1.00 0.00 O ATOM 1151 CB THR A 85 11.656 1.155 -3.002 1.00 0.00 C ATOM 1152 OG1 THR A 85 10.992 2.315 -2.510 1.00 0.00 O ATOM 1153 CG2 THR A 85 10.995 -0.002 -2.249 1.00 0.00 C ATOM 0 H THR A 85 14.112 3.112 -3.178 1.00 0.00 H new ATOM 0 HA THR A 85 13.134 1.791 -1.598 1.00 0.00 H new ATOM 0 HB THR A 85 11.600 0.968 -4.074 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.034 2.131 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.959 -0.103 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.533 -0.927 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.022 0.198 -1.178 1.00 0.00 H new ATOM 1161 N VAL A 86 13.889 -0.698 -3.589 1.00 0.00 N ATOM 1162 CA VAL A 86 14.597 -1.967 -3.636 1.00 0.00 C ATOM 1163 C VAL A 86 13.971 -2.932 -2.628 1.00 0.00 C ATOM 1164 O VAL A 86 12.915 -3.508 -2.888 1.00 0.00 O ATOM 1165 CB VAL A 86 16.091 -1.739 -3.398 1.00 0.00 C ATOM 1166 CG1 VAL A 86 16.840 -3.072 -3.302 1.00 0.00 C ATOM 1167 CG2 VAL A 86 16.691 -0.852 -4.489 1.00 0.00 C ATOM 0 H VAL A 86 13.395 -0.453 -4.447 1.00 0.00 H new ATOM 0 HA VAL A 86 14.504 -2.422 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 86 16.203 -1.221 -2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.900 -2.882 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.439 -3.656 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 86 16.715 -3.627 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.754 -0.706 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 86 16.561 -1.331 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.186 0.114 -4.491 1.00 0.00 H new ATOM 1177 N ASP A 87 14.650 -3.082 -1.499 1.00 0.00 N ATOM 1178 CA ASP A 87 14.173 -3.969 -0.451 1.00 0.00 C ATOM 1179 C ASP A 87 13.402 -3.154 0.589 1.00 0.00 C ATOM 1180 O ASP A 87 14.000 -2.442 1.393 1.00 0.00 O ATOM 1181 CB ASP A 87 15.339 -4.659 0.258 1.00 0.00 C ATOM 1182 CG ASP A 87 15.169 -6.164 0.469 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.023 -6.570 0.763 1.00 0.00 O ATOM 1184 OD2 ASP A 87 16.187 -6.875 0.334 1.00 0.00 O ATOM 0 H ASP A 87 15.526 -2.604 -1.288 1.00 0.00 H new ATOM 0 HA ASP A 87 13.534 -4.723 -0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.248 -4.489 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.485 -4.186 1.229 1.00 0.00 H new ATOM 1190 N CYS A 88 12.084 -3.288 0.540 1.00 0.00 N ATOM 1191 CA CYS A 88 11.225 -2.573 1.470 1.00 0.00 C ATOM 1192 C CYS A 88 11.024 -3.445 2.708 1.00 0.00 C ATOM 1193 O CYS A 88 9.927 -3.507 3.259 1.00 0.00 O ATOM 1194 CB CYS A 88 9.892 -2.184 0.822 1.00 0.00 C ATOM 1195 SG CYS A 88 8.691 -1.401 1.955 1.00 0.00 S ATOM 0 H CYS A 88 11.591 -3.880 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 88 11.701 -1.637 1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.091 -1.501 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.438 -3.077 0.394 1.00 0.00 H new ATOM 1200 N THR A 89 12.103 -4.101 3.112 1.00 0.00 N ATOM 1201 CA THR A 89 12.060 -4.968 4.276 1.00 0.00 C ATOM 1202 C THR A 89 12.375 -4.174 5.545 1.00 0.00 C ATOM 1203 O THR A 89 12.018 -4.592 6.646 1.00 0.00 O ATOM 1204 CB THR A 89 13.024 -6.132 4.033 1.00 0.00 C ATOM 1205 OG1 THR A 89 12.902 -6.933 5.208 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.487 -5.692 4.033 1.00 0.00 C ATOM 0 H THR A 89 13.012 -4.049 2.653 1.00 0.00 H new ATOM 0 HA THR A 89 11.062 -5.378 4.427 1.00 0.00 H new ATOM 0 HB THR A 89 12.789 -6.605 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.492 -7.712 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.127 -6.557 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.646 -4.956 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.734 -5.249 4.998 1.00 0.00 H new ATOM 1214 N THR A 90 13.038 -3.045 5.348 1.00 0.00 N ATOM 1215 CA THR A 90 13.405 -2.187 6.463 1.00 0.00 C ATOM 1216 C THR A 90 12.282 -1.192 6.763 1.00 0.00 C ATOM 1217 O THR A 90 11.886 -1.025 7.915 1.00 0.00 O ATOM 1218 CB THR A 90 14.738 -1.517 6.125 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.685 -2.578 6.188 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.196 -0.544 7.214 1.00 0.00 C ATOM 0 H THR A 90 13.331 -2.703 4.433 1.00 0.00 H new ATOM 0 HA THR A 90 13.538 -2.763 7.379 1.00 0.00 H new ATOM 0 HB THR A 90 14.648 -0.986 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.578 -2.232 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.147 -0.096 6.925 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.449 0.239 7.340 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.319 -1.082 8.154 1.00 0.00 H new ATOM 1228 N ALA A 91 11.800 -0.558 5.705 1.00 0.00 N ATOM 1229 CA ALA A 91 10.730 0.417 5.838 1.00 0.00 C ATOM 1230 C ALA A 91 9.380 -0.292 5.701 1.00 0.00 C ATOM 1231 O ALA A 91 8.992 -0.686 4.602 1.00 0.00 O ATOM 1232 CB ALA A 91 10.915 1.525 4.801 1.00 0.00 C ATOM 0 H ALA A 91 12.131 -0.700 4.751 1.00 0.00 H new ATOM 0 HA ALA A 91 10.758 0.885 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.112 2.255 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.875 2.016 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.890 1.094 3.800 1.00 0.00 H new ATOM 1238 N ALA A 92 8.702 -0.430 6.831 1.00 0.00 N ATOM 1239 CA ALA A 92 7.406 -1.083 6.849 1.00 0.00 C ATOM 1240 C ALA A 92 6.523 -0.487 5.749 1.00 0.00 C ATOM 1241 O ALA A 92 6.201 0.700 5.781 1.00 0.00 O ATOM 1242 CB ALA A 92 6.781 -0.940 8.238 1.00 0.00 C ATOM 0 H ALA A 92 9.027 -0.100 7.740 1.00 0.00 H new ATOM 0 HA ALA A 92 7.511 -2.149 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.808 -1.430 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.431 -1.404 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.658 0.117 8.475 1.00 0.00 H new ATOM 1248 N CYS A 93 6.158 -1.340 4.802 1.00 0.00 N ATOM 1249 CA CYS A 93 5.318 -0.911 3.695 1.00 0.00 C ATOM 1250 C CYS A 93 3.858 -0.981 4.143 1.00 0.00 C ATOM 1251 O CYS A 93 3.400 -2.019 4.618 1.00 0.00 O ATOM 1252 CB CYS A 93 5.572 -1.750 2.439 1.00 0.00 C ATOM 1253 SG CYS A 93 7.200 -2.583 2.388 1.00 0.00 S ATOM 0 H CYS A 93 6.428 -2.323 4.778 1.00 0.00 H new ATOM 0 HA CYS A 93 5.563 0.116 3.424 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.790 -2.506 2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.482 -1.106 1.565 1.00 0.00 H new ATOM 1258 N GLN A 94 3.168 0.136 3.977 1.00 0.00 N ATOM 1259 CA GLN A 94 1.769 0.216 4.359 1.00 0.00 C ATOM 1260 C GLN A 94 0.872 0.032 3.134 1.00 0.00 C ATOM 1261 O GLN A 94 0.821 0.897 2.259 1.00 0.00 O ATOM 1262 CB GLN A 94 1.466 1.541 5.064 1.00 0.00 C ATOM 1263 CG GLN A 94 2.229 1.644 6.386 1.00 0.00 C ATOM 1264 CD GLN A 94 2.558 3.102 6.717 1.00 0.00 C ATOM 1265 OE1 GLN A 94 1.878 4.026 6.306 1.00 0.00 O ATOM 1266 NE2 GLN A 94 3.636 3.253 7.482 1.00 0.00 N ATOM 0 H GLN A 94 3.552 0.995 3.583 1.00 0.00 H new ATOM 0 HA GLN A 94 1.560 -0.589 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.740 2.373 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.395 1.622 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.633 1.211 7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.150 1.064 6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.160 2.435 7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.938 4.187 7.759 1.00 0.00 H new ATOM 1275 N VAL A 95 0.187 -1.101 3.105 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.705 -1.412 2.001 1.00 0.00 C ATOM 1277 C VAL A 95 -2.088 -0.824 2.287 1.00 0.00 C ATOM 1278 O VAL A 95 -2.760 -1.240 3.229 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.734 -2.923 1.758 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.557 -3.262 0.514 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.683 -3.489 1.650 1.00 0.00 C ATOM 0 H VAL A 95 0.232 -1.817 3.830 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.343 -0.957 1.079 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.216 -3.391 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.562 -4.342 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.580 -2.910 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.117 -2.776 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.633 -4.564 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.203 -3.012 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.224 -3.295 2.576 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.472 0.135 1.456 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.763 0.783 1.608 1.00 0.00 C ATOM 1293 C GLY A 96 -4.109 1.614 0.370 1.00 0.00 C ATOM 1294 O GLY A 96 -3.291 1.752 -0.537 1.00 0.00 O ATOM 0 H GLY A 96 -1.911 0.478 0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.534 0.031 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.750 1.425 2.489 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.322 2.145 0.374 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.788 2.956 -0.738 1.00 0.00 C ATOM 1300 C LEU A 97 -5.858 4.420 -0.299 1.00 0.00 C ATOM 1301 O LEU A 97 -6.673 4.779 0.548 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.110 2.415 -1.282 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.858 1.435 -0.374 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -7.008 0.196 -0.087 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.323 2.122 0.909 1.00 0.00 C ATOM 0 H LEU A 97 -5.997 2.030 1.130 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.084 2.903 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.767 3.259 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.914 1.921 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.752 1.097 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.563 -0.484 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.771 -0.308 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.084 0.495 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.851 1.403 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.458 2.508 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.992 2.946 0.659 1.00 0.00 H new ATOM 1317 N SER A 98 -4.991 5.226 -0.896 1.00 0.00 N ATOM 1318 CA SER A 98 -4.945 6.644 -0.577 1.00 0.00 C ATOM 1319 C SER A 98 -6.002 7.396 -1.387 1.00 0.00 C ATOM 1320 O SER A 98 -6.421 6.936 -2.447 1.00 0.00 O ATOM 1321 CB SER A 98 -3.555 7.224 -0.849 1.00 0.00 C ATOM 1322 OG SER A 98 -3.127 6.978 -2.186 1.00 0.00 O ATOM 0 H SER A 98 -4.315 4.924 -1.598 1.00 0.00 H new ATOM 0 HA SER A 98 -5.158 6.764 0.485 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.568 8.298 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.838 6.789 -0.153 1.00 0.00 H new ATOM 0 HG SER A 98 -2.237 7.365 -2.321 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.402 8.541 -0.855 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.404 9.364 -1.513 1.00 0.00 C ATOM 1330 C ASP A 99 -7.107 9.413 -3.013 1.00 0.00 C ATOM 1331 O ASP A 99 -6.003 9.085 -3.443 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.378 10.796 -0.979 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.017 10.928 0.502 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -7.039 9.882 1.187 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.723 12.070 0.916 1.00 0.00 O ATOM 0 H ASP A 99 -6.051 8.919 0.025 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.383 8.926 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.662 11.373 -1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.358 11.246 -1.140 1.00 0.00 H new ATOM 1341 N ALA A 100 -8.113 9.829 -3.771 1.00 0.00 N ATOM 1342 CA ALA A 100 -7.975 9.926 -5.212 1.00 0.00 C ATOM 1343 C ALA A 100 -6.885 10.946 -5.549 1.00 0.00 C ATOM 1344 O ALA A 100 -6.319 10.918 -6.639 1.00 0.00 O ATOM 1345 CB ALA A 100 -9.325 10.293 -5.832 1.00 0.00 C ATOM 0 H ALA A 100 -9.027 10.103 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.672 8.967 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.220 10.366 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.058 9.524 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.659 11.251 -5.435 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.622 11.821 -4.589 1.00 0.00 N ATOM 1352 CA ALA A 101 -5.610 12.848 -4.768 1.00 0.00 C ATOM 1353 C ALA A 101 -4.224 12.195 -4.774 1.00 0.00 C ATOM 1354 O ALA A 101 -3.228 12.852 -5.072 1.00 0.00 O ATOM 1355 CB ALA A 101 -5.752 13.904 -3.670 1.00 0.00 C ATOM 0 H ALA A 101 -7.093 11.840 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.742 13.354 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.992 14.674 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.742 14.357 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.623 13.434 -2.695 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.209 10.913 -4.441 1.00 0.00 N ATOM 1362 CA GLY A 102 -2.963 10.166 -4.405 1.00 0.00 C ATOM 1363 C GLY A 102 -2.195 10.444 -3.111 1.00 0.00 C ATOM 1364 O GLY A 102 -0.969 10.362 -3.084 1.00 0.00 O ATOM 0 H GLY A 102 -5.038 10.373 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.172 9.099 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.347 10.437 -5.263 1.00 0.00 H new ATOM 1368 N ASN A 103 -2.950 10.763 -2.070 1.00 0.00 N ATOM 1369 CA ASN A 103 -2.355 11.053 -0.776 1.00 0.00 C ATOM 1370 C ASN A 103 -3.296 10.571 0.331 1.00 0.00 C ATOM 1371 O ASN A 103 -4.500 10.445 0.116 1.00 0.00 O ATOM 1372 CB ASN A 103 -2.142 12.557 -0.592 1.00 0.00 C ATOM 1373 CG ASN A 103 -3.382 13.344 -1.019 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.506 13.015 -0.676 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -3.118 14.400 -1.783 1.00 0.00 N ATOM 0 H ASN A 103 -3.968 10.827 -2.096 1.00 0.00 H new ATOM 0 HA ASN A 103 -1.393 10.544 -0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.914 12.770 0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.282 12.880 -1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.879 14.990 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.154 14.620 -2.034 1.00 0.00 H new ATOM 1382 N GLY A 104 -2.708 10.312 1.490 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.477 9.847 2.630 1.00 0.00 C ATOM 1384 C GLY A 104 -2.672 8.850 3.465 1.00 0.00 C ATOM 1385 O GLY A 104 -1.845 8.114 2.932 1.00 0.00 O ATOM 0 H GLY A 104 -1.708 10.416 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.765 10.696 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.398 9.377 2.285 1.00 0.00 H new ATOM 1389 N PRO A 105 -2.950 8.859 4.797 1.00 0.00 N ATOM 1390 CA PRO A 105 -2.258 7.966 5.713 1.00 0.00 C ATOM 1391 C PRO A 105 -2.782 6.534 5.578 1.00 0.00 C ATOM 1392 O PRO A 105 -2.176 5.597 6.093 1.00 0.00 O ATOM 1393 CB PRO A 105 -2.494 8.556 7.093 1.00 0.00 C ATOM 1394 CG PRO A 105 -3.685 9.489 6.949 1.00 0.00 C ATOM 1395 CD PRO A 105 -3.923 9.718 5.465 1.00 0.00 C ATOM 0 HA PRO A 105 -1.191 7.893 5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.698 7.773 7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -1.614 9.097 7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -4.569 9.053 7.414 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -3.492 10.435 7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.943 9.456 5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.777 10.764 5.197 1.00 0.00 H new ATOM 1403 N GLU A 106 -3.904 6.410 4.883 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.515 5.109 4.674 1.00 0.00 C ATOM 1405 C GLU A 106 -3.459 4.089 4.240 1.00 0.00 C ATOM 1406 O GLU A 106 -2.944 4.160 3.126 1.00 0.00 O ATOM 1407 CB GLU A 106 -5.649 5.193 3.651 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.000 4.900 4.306 1.00 0.00 C ATOM 1409 CD GLU A 106 -7.659 6.186 4.805 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.388 6.548 5.970 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -8.419 6.781 4.009 1.00 0.00 O ATOM 0 H GLU A 106 -4.405 7.190 4.458 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.946 4.777 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.666 6.186 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.470 4.482 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.656 4.406 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.862 4.211 5.139 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.170 3.166 5.144 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.183 2.133 4.868 1.00 0.00 C ATOM 1421 C GLY A 107 -2.071 1.154 6.039 1.00 0.00 C ATOM 1422 O GLY A 107 -2.059 1.566 7.198 1.00 0.00 O ATOM 0 H GLY A 107 -3.600 3.110 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.460 1.593 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.213 2.593 4.680 1.00 0.00 H new ATOM 1426 N VAL A 108 -1.994 -0.124 5.695 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.884 -1.164 6.704 1.00 0.00 C ATOM 1428 C VAL A 108 -0.441 -1.670 6.754 1.00 0.00 C ATOM 1429 O VAL A 108 0.125 -2.046 5.728 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.898 -2.275 6.421 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.562 -3.004 5.121 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.978 -3.254 7.595 1.00 0.00 C ATOM 0 H VAL A 108 -2.006 -0.462 4.733 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.123 -0.767 7.691 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.878 -1.814 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.298 -3.788 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.579 -2.296 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.570 -3.448 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.705 -4.034 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.000 -3.706 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.286 -2.720 8.494 1.00 0.00 H new ATOM 1442 N ALA A 109 0.114 -1.661 7.957 1.00 0.00 N ATOM 1443 CA ALA A 109 1.481 -2.114 8.155 1.00 0.00 C ATOM 1444 C ALA A 109 1.570 -3.607 7.834 1.00 0.00 C ATOM 1445 O ALA A 109 1.322 -4.447 8.698 1.00 0.00 O ATOM 1446 CB ALA A 109 1.922 -1.798 9.584 1.00 0.00 C ATOM 0 H ALA A 109 -0.358 -1.347 8.805 1.00 0.00 H new ATOM 0 HA ALA A 109 2.160 -1.591 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.947 -2.138 9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.869 -0.722 9.752 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.265 -2.308 10.289 1.00 0.00 H new ATOM 1452 N ILE A 110 1.922 -3.893 6.589 1.00 0.00 N ATOM 1453 CA ILE A 110 2.047 -5.270 6.144 1.00 0.00 C ATOM 1454 C ILE A 110 3.270 -5.909 6.806 1.00 0.00 C ATOM 1455 O ILE A 110 4.374 -5.376 6.722 1.00 0.00 O ATOM 1456 CB ILE A 110 2.069 -5.339 4.616 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.851 -6.094 4.082 1.00 0.00 C ATOM 1458 CG2 ILE A 110 3.383 -5.944 4.112 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.413 -5.240 4.190 1.00 0.00 C ATOM 0 H ILE A 110 2.125 -3.194 5.874 1.00 0.00 H new ATOM 0 HA ILE A 110 1.178 -5.850 6.455 1.00 0.00 H new ATOM 0 HB ILE A 110 2.012 -4.322 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.018 -6.372 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 110 0.718 -7.020 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 110 3.372 -5.981 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.218 -5.329 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.495 -6.953 4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.265 -5.800 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -0.591 -4.984 5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -0.286 -4.327 3.609 1.00 0.00 H new ATOM 1471 N SER A 111 3.031 -7.040 7.451 1.00 0.00 N ATOM 1472 CA SER A 111 4.098 -7.757 8.129 1.00 0.00 C ATOM 1473 C SER A 111 5.101 -8.291 7.104 1.00 0.00 C ATOM 1474 O SER A 111 5.285 -9.501 6.982 1.00 0.00 O ATOM 1475 CB SER A 111 3.542 -8.903 8.975 1.00 0.00 C ATOM 1476 OG SER A 111 2.466 -8.480 9.807 1.00 0.00 O ATOM 0 H SER A 111 2.113 -7.479 7.519 1.00 0.00 H new ATOM 0 HA SER A 111 4.606 -7.062 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.200 -9.704 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.338 -9.316 9.594 1.00 0.00 H new ATOM 0 HG SER A 111 1.631 -8.888 9.495 1.00 0.00 H new