USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=27 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= -3.04! C(o=-9.4!,f=-9.8!) USER MOD Set 1.2: A 48 ASN : amide:sc= -6.34! C(o=-9.4!,f=-9.8!) USER MOD Single : A 4 THR OG1 : rot 158:sc= -0.027 USER MOD Single : A 6 THR OG1 : rot -79:sc= 0.82 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 180:sc= -1.13! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.629 F(o=-2!,f=-0.63) USER MOD Single : A 30 THR OG1 : rot 87:sc= -1.25! USER MOD Single : A 32 TYR OH : rot -112:sc= -0.151 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -62:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -96:sc= -7.66! USER MOD Single : A 60 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.2) USER MOD Single : A 62 SER OG : rot 32:sc= 0.543 USER MOD Single : A 64 SER OG : rot 55:sc= 0.0869 USER MOD Single : A 65 THR OG1 : rot -166:sc= -0.136 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 72 SER OG : rot 28:sc= 0.609 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 47:sc= -2.48! 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= -1.21 K(o=-1.2,f=-6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -1.5 F(o=-2.6!,f=-1.5) USER MOD Single : A 111 SER OG : rot 73:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -8.728 -2.722 10.738 1.00 0.00 N ATOM 22 CA PRO A 3 -9.437 -1.495 10.411 1.00 0.00 C ATOM 23 C PRO A 3 -9.237 -1.123 8.940 1.00 0.00 C ATOM 24 O PRO A 3 -8.183 -1.390 8.365 1.00 0.00 O ATOM 25 CB PRO A 3 -8.880 -0.453 11.367 1.00 0.00 C ATOM 26 CG PRO A 3 -7.561 -1.015 11.874 1.00 0.00 C ATOM 27 CD PRO A 3 -7.512 -2.489 11.512 1.00 0.00 C ATOM 0 HA PRO A 3 -10.517 -1.588 10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.729 0.501 10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.570 -0.271 12.191 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.722 -0.484 11.425 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.480 -0.884 12.953 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.621 -2.724 10.930 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.484 -3.115 12.404 1.00 0.00 H new ATOM 35 N THR A 4 -10.267 -0.514 8.373 1.00 0.00 N ATOM 36 CA THR A 4 -10.220 -0.103 6.980 1.00 0.00 C ATOM 37 C THR A 4 -9.530 -1.174 6.131 1.00 0.00 C ATOM 38 O THR A 4 -9.516 -2.347 6.497 1.00 0.00 O ATOM 39 CB THR A 4 -9.531 1.262 6.913 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.156 0.968 7.147 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.923 2.172 8.077 1.00 0.00 C ATOM 0 H THR A 4 -11.140 -0.295 8.853 1.00 0.00 H new ATOM 0 HA THR A 4 -11.222 0.001 6.564 1.00 0.00 H new ATOM 0 HB THR A 4 -9.782 1.750 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.601 1.688 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.407 3.127 7.982 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.000 2.338 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.642 1.700 9.018 1.00 0.00 H new ATOM 49 N ALA A 5 -8.973 -0.730 5.013 1.00 0.00 N ATOM 50 CA ALA A 5 -8.284 -1.635 4.110 1.00 0.00 C ATOM 51 C ALA A 5 -7.365 -2.554 4.919 1.00 0.00 C ATOM 52 O ALA A 5 -6.620 -2.089 5.780 1.00 0.00 O ATOM 53 CB ALA A 5 -7.523 -0.827 3.058 1.00 0.00 C ATOM 0 H ALA A 5 -8.985 0.245 4.713 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.998 -2.266 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.006 -1.507 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.225 -0.215 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.795 -0.183 3.551 1.00 0.00 H new ATOM 59 N THR A 6 -7.448 -3.840 4.611 1.00 0.00 N ATOM 60 CA THR A 6 -6.633 -4.827 5.300 1.00 0.00 C ATOM 61 C THR A 6 -6.109 -5.869 4.310 1.00 0.00 C ATOM 62 O THR A 6 -6.580 -5.944 3.176 1.00 0.00 O ATOM 63 CB THR A 6 -7.471 -5.430 6.427 1.00 0.00 C ATOM 64 OG1 THR A 6 -8.512 -6.129 5.752 1.00 0.00 O ATOM 65 CG2 THR A 6 -8.206 -4.365 7.244 1.00 0.00 C ATOM 0 H THR A 6 -8.066 -4.221 3.895 1.00 0.00 H new ATOM 0 HA THR A 6 -5.748 -4.369 5.743 1.00 0.00 H new ATOM 0 HB THR A 6 -6.827 -6.013 7.085 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.196 -5.492 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.786 -4.846 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.481 -3.685 7.692 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.875 -3.804 6.592 1.00 0.00 H new ATOM 73 N VAL A 7 -5.140 -6.646 4.773 1.00 0.00 N ATOM 74 CA VAL A 7 -4.546 -7.679 3.942 1.00 0.00 C ATOM 75 C VAL A 7 -4.752 -9.041 4.607 1.00 0.00 C ATOM 76 O VAL A 7 -4.317 -9.255 5.738 1.00 0.00 O ATOM 77 CB VAL A 7 -3.075 -7.357 3.679 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.273 -8.633 3.414 1.00 0.00 C ATOM 79 CG2 VAL A 7 -2.926 -6.370 2.521 1.00 0.00 C ATOM 0 H VAL A 7 -4.752 -6.580 5.714 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.034 -7.715 2.968 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.672 -6.886 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.230 -8.376 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.337 -9.290 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.680 -9.144 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.869 -6.159 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.355 -6.802 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.447 -5.444 2.763 1.00 0.00 H new ATOM 89 N THR A 8 -5.413 -9.928 3.877 1.00 0.00 N ATOM 90 CA THR A 8 -5.679 -11.264 4.383 1.00 0.00 C ATOM 91 C THR A 8 -4.541 -11.728 5.291 1.00 0.00 C ATOM 92 O THR A 8 -4.728 -11.884 6.497 1.00 0.00 O ATOM 93 CB THR A 8 -5.914 -12.184 3.183 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.333 -12.228 3.052 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.522 -13.634 3.472 1.00 0.00 C ATOM 0 H THR A 8 -5.772 -9.748 2.939 1.00 0.00 H new ATOM 0 HA THR A 8 -6.574 -11.281 5.005 1.00 0.00 H new ATOM 0 HB THR A 8 -5.346 -11.818 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.574 -12.802 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.709 -14.244 2.588 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.464 -13.681 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.114 -14.012 4.305 1.00 0.00 H new ATOM 103 N PRO A 9 -3.354 -11.944 4.661 1.00 0.00 N ATOM 104 CA PRO A 9 -2.184 -12.386 5.400 1.00 0.00 C ATOM 105 C PRO A 9 -1.585 -11.240 6.215 1.00 0.00 C ATOM 106 O PRO A 9 -2.247 -10.233 6.460 1.00 0.00 O ATOM 107 CB PRO A 9 -1.234 -12.927 4.343 1.00 0.00 C ATOM 108 CG PRO A 9 -1.706 -12.344 3.021 1.00 0.00 C ATOM 109 CD PRO A 9 -3.097 -11.770 3.234 1.00 0.00 C ATOM 0 HA PRO A 9 -2.416 -13.154 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.206 -12.633 4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.256 -14.017 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.021 -11.568 2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.725 -13.114 2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.140 -10.719 2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.839 -12.294 2.631 1.00 0.00 H new ATOM 117 N SER A 10 -0.335 -11.432 6.614 1.00 0.00 N ATOM 118 CA SER A 10 0.362 -10.426 7.398 1.00 0.00 C ATOM 119 C SER A 10 1.812 -10.306 6.922 1.00 0.00 C ATOM 120 O SER A 10 2.334 -9.200 6.780 1.00 0.00 O ATOM 121 CB SER A 10 0.321 -10.762 8.888 1.00 0.00 C ATOM 122 OG SER A 10 -0.706 -10.044 9.568 1.00 0.00 O ATOM 0 H SER A 10 0.212 -12.268 6.409 1.00 0.00 H new ATOM 0 HA SER A 10 -0.143 -9.471 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.160 -11.833 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.286 -10.530 9.339 1.00 0.00 H new ATOM 0 HG SER A 10 -0.701 -10.287 10.517 1.00 0.00 H new ATOM 128 N SER A 11 2.422 -11.458 6.687 1.00 0.00 N ATOM 129 CA SER A 11 3.801 -11.495 6.231 1.00 0.00 C ATOM 130 C SER A 11 3.912 -10.852 4.847 1.00 0.00 C ATOM 131 O SER A 11 4.097 -11.546 3.848 1.00 0.00 O ATOM 132 CB SER A 11 4.329 -12.931 6.192 1.00 0.00 C ATOM 133 OG SER A 11 4.471 -13.485 7.497 1.00 0.00 O ATOM 0 H SER A 11 1.987 -12.373 6.804 1.00 0.00 H new ATOM 0 HA SER A 11 4.410 -10.931 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.649 -13.551 5.607 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.293 -12.949 5.684 1.00 0.00 H new ATOM 0 HG SER A 11 4.809 -14.402 7.428 1.00 0.00 H new ATOM 139 N GLY A 12 3.797 -9.532 4.834 1.00 0.00 N ATOM 140 CA GLY A 12 3.882 -8.787 3.589 1.00 0.00 C ATOM 141 C GLY A 12 5.116 -9.200 2.785 1.00 0.00 C ATOM 142 O GLY A 12 5.095 -9.181 1.556 1.00 0.00 O ATOM 0 H GLY A 12 3.646 -8.960 5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.983 -8.959 2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.924 -7.719 3.803 1.00 0.00 H new ATOM 146 N LEU A 13 6.162 -9.564 3.513 1.00 0.00 N ATOM 147 CA LEU A 13 7.403 -9.981 2.883 1.00 0.00 C ATOM 148 C LEU A 13 7.244 -11.404 2.346 1.00 0.00 C ATOM 149 O LEU A 13 7.849 -12.339 2.866 1.00 0.00 O ATOM 150 CB LEU A 13 8.576 -9.816 3.852 1.00 0.00 C ATOM 151 CG LEU A 13 8.273 -10.089 5.326 1.00 0.00 C ATOM 152 CD1 LEU A 13 7.425 -11.353 5.488 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.562 -10.156 6.148 1.00 0.00 C ATOM 0 H LEU A 13 6.175 -9.579 4.533 1.00 0.00 H new ATOM 0 HA LEU A 13 7.632 -9.342 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.378 -10.484 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.955 -8.798 3.762 1.00 0.00 H new ATOM 0 HG LEU A 13 7.686 -9.256 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.224 -11.523 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.482 -11.229 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.964 -12.208 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.318 -10.351 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.195 -10.958 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.093 -9.207 6.071 1.00 0.00 H new ATOM 165 N SER A 14 6.424 -11.523 1.310 1.00 0.00 N ATOM 166 CA SER A 14 6.177 -12.818 0.698 1.00 0.00 C ATOM 167 C SER A 14 6.303 -12.707 -0.823 1.00 0.00 C ATOM 168 O SER A 14 5.298 -12.638 -1.530 1.00 0.00 O ATOM 169 CB SER A 14 4.797 -13.355 1.080 1.00 0.00 C ATOM 170 OG SER A 14 4.879 -14.602 1.762 1.00 0.00 O ATOM 0 H SER A 14 5.924 -10.745 0.880 1.00 0.00 H new ATOM 0 HA SER A 14 6.923 -13.521 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.288 -12.628 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.192 -13.473 0.181 1.00 0.00 H new ATOM 0 HG SER A 14 3.977 -14.910 1.990 1.00 0.00 H new ATOM 176 N ASP A 15 7.546 -12.695 -1.284 1.00 0.00 N ATOM 177 CA ASP A 15 7.815 -12.594 -2.708 1.00 0.00 C ATOM 178 C ASP A 15 6.550 -12.121 -3.430 1.00 0.00 C ATOM 179 O ASP A 15 5.991 -12.847 -4.249 1.00 0.00 O ATOM 180 CB ASP A 15 8.210 -13.953 -3.291 1.00 0.00 C ATOM 181 CG ASP A 15 7.266 -15.105 -2.945 1.00 0.00 C ATOM 182 OD1 ASP A 15 6.920 -15.217 -1.749 1.00 0.00 O ATOM 183 OD2 ASP A 15 6.910 -15.850 -3.886 1.00 0.00 O ATOM 0 H ASP A 15 8.377 -12.754 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 15 8.634 -11.889 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.267 -13.863 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.210 -14.205 -2.939 1.00 0.00 H new ATOM 189 N GLY A 16 6.139 -10.907 -3.098 1.00 0.00 N ATOM 190 CA GLY A 16 4.952 -10.327 -3.705 1.00 0.00 C ATOM 191 C GLY A 16 3.754 -11.274 -3.577 1.00 0.00 C ATOM 192 O GLY A 16 3.292 -11.830 -4.573 1.00 0.00 O ATOM 0 H GLY A 16 6.606 -10.308 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.721 -9.376 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.143 -10.116 -4.757 1.00 0.00 H new ATOM 196 N THR A 17 3.289 -11.424 -2.348 1.00 0.00 N ATOM 197 CA THR A 17 2.156 -12.294 -2.077 1.00 0.00 C ATOM 198 C THR A 17 0.866 -11.668 -2.610 1.00 0.00 C ATOM 199 O THR A 17 0.638 -10.470 -2.443 1.00 0.00 O ATOM 200 CB THR A 17 2.121 -12.571 -0.574 1.00 0.00 C ATOM 201 OG1 THR A 17 2.218 -13.991 -0.481 1.00 0.00 O ATOM 202 CG2 THR A 17 0.760 -12.250 0.049 1.00 0.00 C ATOM 0 H THR A 17 3.675 -10.958 -1.527 1.00 0.00 H new ATOM 0 HA THR A 17 2.256 -13.248 -2.595 1.00 0.00 H new ATOM 0 HB THR A 17 2.895 -11.985 -0.079 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.204 -14.259 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.789 -12.464 1.117 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.530 -11.196 -0.103 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.009 -12.861 -0.423 1.00 0.00 H new ATOM 210 N VAL A 18 0.055 -12.505 -3.241 1.00 0.00 N ATOM 211 CA VAL A 18 -1.206 -12.047 -3.798 1.00 0.00 C ATOM 212 C VAL A 18 -2.354 -12.504 -2.893 1.00 0.00 C ATOM 213 O VAL A 18 -2.549 -13.700 -2.689 1.00 0.00 O ATOM 214 CB VAL A 18 -1.350 -12.539 -5.240 1.00 0.00 C ATOM 215 CG1 VAL A 18 -2.269 -11.618 -6.046 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.017 -12.670 -5.912 1.00 0.00 C ATOM 0 H VAL A 18 0.247 -13.497 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.234 -10.958 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.808 -13.528 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.354 -11.991 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.256 -11.595 -5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.852 -10.611 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.113 -13.021 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.512 -11.699 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.628 -13.383 -5.358 1.00 0.00 H new ATOM 226 N VAL A 19 -3.083 -11.524 -2.379 1.00 0.00 N ATOM 227 CA VAL A 19 -4.207 -11.810 -1.503 1.00 0.00 C ATOM 228 C VAL A 19 -5.316 -10.787 -1.753 1.00 0.00 C ATOM 229 O VAL A 19 -5.283 -10.058 -2.743 1.00 0.00 O ATOM 230 CB VAL A 19 -3.739 -11.841 -0.047 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.969 -13.130 0.255 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.895 -10.609 0.286 1.00 0.00 C ATOM 0 H VAL A 19 -2.918 -10.532 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.620 -12.795 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.624 -11.822 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.648 -13.126 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.615 -13.990 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.095 -13.192 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.576 -10.657 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.018 -10.583 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.489 -9.708 0.130 1.00 0.00 H new ATOM 242 N LYS A 20 -6.274 -10.763 -0.836 1.00 0.00 N ATOM 243 CA LYS A 20 -7.391 -9.841 -0.944 1.00 0.00 C ATOM 244 C LYS A 20 -7.189 -8.684 0.036 1.00 0.00 C ATOM 245 O LYS A 20 -6.712 -8.888 1.151 1.00 0.00 O ATOM 246 CB LYS A 20 -8.716 -10.581 -0.757 1.00 0.00 C ATOM 247 CG LYS A 20 -8.983 -11.533 -1.924 1.00 0.00 C ATOM 248 CD LYS A 20 -9.228 -12.959 -1.426 1.00 0.00 C ATOM 249 CE LYS A 20 -10.356 -13.630 -2.213 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.191 -14.459 -1.318 1.00 0.00 N ATOM 0 H LYS A 20 -6.298 -11.368 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.432 -9.408 -1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.694 -11.142 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.530 -9.861 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.849 -11.188 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.133 -11.524 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.314 -13.544 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.481 -12.939 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.972 -12.871 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.936 -14.250 -3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.951 -14.907 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.603 -15.195 -0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.607 -13.859 -0.577 1.00 0.00 H new ATOM 264 N VAL A 21 -7.560 -7.495 -0.415 1.00 0.00 N ATOM 265 CA VAL A 21 -7.425 -6.306 0.409 1.00 0.00 C ATOM 266 C VAL A 21 -8.817 -5.774 0.760 1.00 0.00 C ATOM 267 O VAL A 21 -9.338 -4.892 0.080 1.00 0.00 O ATOM 268 CB VAL A 21 -6.552 -5.272 -0.304 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.139 -4.150 0.652 1.00 0.00 C ATOM 270 CG2 VAL A 21 -5.326 -5.932 -0.938 1.00 0.00 C ATOM 0 H VAL A 21 -7.954 -7.329 -1.341 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.922 -6.545 1.346 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.144 -4.829 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.519 -3.428 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.030 -3.651 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.574 -4.570 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.723 -5.174 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.732 -6.416 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.649 -6.677 -1.665 1.00 0.00 H new ATOM 280 N ALA A 22 -9.379 -6.333 1.821 1.00 0.00 N ATOM 281 CA ALA A 22 -10.699 -5.927 2.270 1.00 0.00 C ATOM 282 C ALA A 22 -10.562 -4.769 3.262 1.00 0.00 C ATOM 283 O ALA A 22 -9.783 -4.850 4.212 1.00 0.00 O ATOM 284 CB ALA A 22 -11.426 -7.130 2.876 1.00 0.00 C ATOM 0 H ALA A 22 -8.944 -7.064 2.383 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.297 -5.574 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.417 -6.825 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.524 -7.913 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.856 -7.510 3.724 1.00 0.00 H new ATOM 290 N GLY A 23 -11.329 -3.720 3.007 1.00 0.00 N ATOM 291 CA GLY A 23 -11.302 -2.547 3.867 1.00 0.00 C ATOM 292 C GLY A 23 -12.689 -2.261 4.447 1.00 0.00 C ATOM 293 O GLY A 23 -13.649 -2.067 3.701 1.00 0.00 O ATOM 0 H GLY A 23 -11.973 -3.657 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.590 -2.702 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.956 -1.683 3.299 1.00 0.00 H new ATOM 297 N ALA A 24 -12.749 -2.243 5.769 1.00 0.00 N ATOM 298 CA ALA A 24 -14.002 -1.983 6.458 1.00 0.00 C ATOM 299 C ALA A 24 -14.039 -0.522 6.905 1.00 0.00 C ATOM 300 O ALA A 24 -13.424 -0.159 7.907 1.00 0.00 O ATOM 301 CB ALA A 24 -14.153 -2.956 7.631 1.00 0.00 C ATOM 0 H ALA A 24 -11.950 -2.404 6.383 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.848 -2.145 5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.093 -2.760 8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.151 -3.980 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.323 -2.821 8.325 1.00 0.00 H new ATOM 307 N GLY A 25 -14.768 0.280 6.142 1.00 0.00 N ATOM 308 CA GLY A 25 -14.895 1.695 6.446 1.00 0.00 C ATOM 309 C GLY A 25 -13.900 2.523 5.630 1.00 0.00 C ATOM 310 O GLY A 25 -13.336 3.494 6.131 1.00 0.00 O ATOM 0 H GLY A 25 -15.277 -0.024 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.911 2.027 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.723 1.859 7.510 1.00 0.00 H new ATOM 314 N LEU A 26 -13.715 2.108 4.386 1.00 0.00 N ATOM 315 CA LEU A 26 -12.797 2.798 3.494 1.00 0.00 C ATOM 316 C LEU A 26 -13.209 4.268 3.386 1.00 0.00 C ATOM 317 O LEU A 26 -13.597 4.883 4.378 1.00 0.00 O ATOM 318 CB LEU A 26 -12.718 2.080 2.146 1.00 0.00 C ATOM 319 CG LEU A 26 -11.362 2.127 1.439 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.574 0.837 1.679 1.00 0.00 C ATOM 321 CD2 LEU A 26 -11.529 2.431 -0.049 1.00 0.00 C ATOM 0 H LEU A 26 -14.185 1.302 3.974 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.785 2.778 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.991 1.035 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.467 2.512 1.482 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.781 2.943 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.614 0.896 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.406 0.707 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.139 -0.012 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.550 2.459 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.137 1.655 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.019 3.397 -0.170 1.00 0.00 H new ATOM 333 N GLN A 27 -13.111 4.788 2.171 1.00 0.00 N ATOM 334 CA GLN A 27 -13.470 6.175 1.921 1.00 0.00 C ATOM 335 C GLN A 27 -14.981 6.308 1.736 1.00 0.00 C ATOM 336 O GLN A 27 -15.443 7.051 0.872 1.00 0.00 O ATOM 337 CB GLN A 27 -12.718 6.722 0.704 1.00 0.00 C ATOM 338 CG GLN A 27 -12.903 8.235 0.582 1.00 0.00 C ATOM 339 CD GLN A 27 -12.658 8.928 1.927 1.00 0.00 C ATOM 340 OE1 GLN A 27 -11.630 8.432 2.609 1.00 0.00 O flip ATOM 341 NE2 GLN A 27 -13.357 9.848 2.316 1.00 0.00 N flip ATOM 0 H GLN A 27 -12.789 4.275 1.350 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.178 6.768 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.657 6.487 0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.079 6.233 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.215 8.630 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.912 8.455 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.131 10.179 1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.168 10.287 3.217 1.00 0.00 H new ATOM 350 N ALA A 28 -15.713 5.574 2.563 1.00 0.00 N ATOM 351 CA ALA A 28 -17.164 5.601 2.503 1.00 0.00 C ATOM 352 C ALA A 28 -17.633 4.806 1.283 1.00 0.00 C ATOM 353 O ALA A 28 -18.827 4.545 1.131 1.00 0.00 O ATOM 354 CB ALA A 28 -17.648 7.053 2.476 1.00 0.00 C ATOM 0 H ALA A 28 -15.327 4.957 3.278 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.594 5.132 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -18.737 7.073 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.313 7.565 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.239 7.556 1.600 1.00 0.00 H new ATOM 360 N GLY A 29 -16.674 4.445 0.447 1.00 0.00 N ATOM 361 CA GLY A 29 -16.974 3.684 -0.757 1.00 0.00 C ATOM 362 C GLY A 29 -16.535 4.443 -2.007 1.00 0.00 C ATOM 363 O GLY A 29 -16.837 4.031 -3.127 1.00 0.00 O ATOM 0 H GLY A 29 -15.686 4.664 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.469 2.719 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.044 3.482 -0.807 1.00 0.00 H new ATOM 367 N THR A 30 -15.827 5.540 -1.779 1.00 0.00 N ATOM 368 CA THR A 30 -15.343 6.361 -2.875 1.00 0.00 C ATOM 369 C THR A 30 -14.415 5.548 -3.780 1.00 0.00 C ATOM 370 O THR A 30 -14.540 4.327 -3.869 1.00 0.00 O ATOM 371 CB THR A 30 -14.677 7.602 -2.280 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.555 7.996 -1.228 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.691 8.793 -3.240 1.00 0.00 C ATOM 0 H THR A 30 -15.577 5.879 -0.850 1.00 0.00 H new ATOM 0 HA THR A 30 -16.163 6.690 -3.514 1.00 0.00 H new ATOM 0 HB THR A 30 -13.648 7.366 -2.009 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.319 7.515 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.206 9.647 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.156 8.531 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.721 9.051 -3.485 1.00 0.00 H new ATOM 381 N ALA A 31 -13.502 6.257 -4.427 1.00 0.00 N ATOM 382 CA ALA A 31 -12.552 5.616 -5.320 1.00 0.00 C ATOM 383 C ALA A 31 -11.163 6.223 -5.101 1.00 0.00 C ATOM 384 O ALA A 31 -11.026 7.438 -4.977 1.00 0.00 O ATOM 385 CB ALA A 31 -13.030 5.765 -6.766 1.00 0.00 C ATOM 0 H ALA A 31 -13.400 7.269 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.484 4.549 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.317 5.284 -7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.007 5.294 -6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.107 6.823 -7.017 1.00 0.00 H new ATOM 391 N TYR A 32 -10.170 5.348 -5.063 1.00 0.00 N ATOM 392 CA TYR A 32 -8.799 5.781 -4.861 1.00 0.00 C ATOM 393 C TYR A 32 -7.815 4.824 -5.539 1.00 0.00 C ATOM 394 O TYR A 32 -8.226 3.857 -6.178 1.00 0.00 O ATOM 395 CB TYR A 32 -8.563 5.748 -3.349 1.00 0.00 C ATOM 396 CG TYR A 32 -9.134 6.954 -2.603 1.00 0.00 C ATOM 397 CD1 TYR A 32 -9.302 8.156 -3.260 1.00 0.00 C ATOM 398 CD2 TYR A 32 -9.483 6.842 -1.274 1.00 0.00 C ATOM 399 CE1 TYR A 32 -9.840 9.292 -2.558 1.00 0.00 C ATOM 400 CE2 TYR A 32 -10.023 7.977 -0.571 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.175 9.146 -1.248 1.00 0.00 C ATOM 402 OH TYR A 32 -10.682 10.221 -0.586 1.00 0.00 O ATOM 0 H TYR A 32 -10.288 4.340 -5.169 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.644 6.772 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.007 4.839 -2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.491 5.692 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.030 8.245 -4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.351 5.902 -0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.974 10.239 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.301 7.901 0.470 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.043 10.517 0.095 1.00 0.00 H new ATOM 412 N ASP A 33 -6.537 5.130 -5.377 1.00 0.00 N ATOM 413 CA ASP A 33 -5.490 4.307 -5.966 1.00 0.00 C ATOM 414 C ASP A 33 -4.877 3.419 -4.884 1.00 0.00 C ATOM 415 O ASP A 33 -4.200 3.909 -3.983 1.00 0.00 O ATOM 416 CB ASP A 33 -4.377 5.175 -6.554 1.00 0.00 C ATOM 417 CG ASP A 33 -3.164 4.401 -7.078 1.00 0.00 C ATOM 418 OD1 ASP A 33 -3.299 3.799 -8.164 1.00 0.00 O ATOM 419 OD2 ASP A 33 -2.129 4.428 -6.376 1.00 0.00 O ATOM 0 H ASP A 33 -6.201 5.935 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.936 3.706 -6.759 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.791 5.768 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.040 5.875 -5.790 1.00 0.00 H new ATOM 425 N VAL A 34 -5.135 2.125 -5.008 1.00 0.00 N ATOM 426 CA VAL A 34 -4.616 1.161 -4.053 1.00 0.00 C ATOM 427 C VAL A 34 -3.129 0.926 -4.327 1.00 0.00 C ATOM 428 O VAL A 34 -2.702 0.909 -5.482 1.00 0.00 O ATOM 429 CB VAL A 34 -5.444 -0.125 -4.104 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.539 -1.353 -4.202 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.375 -0.224 -2.896 1.00 0.00 C ATOM 0 H VAL A 34 -5.698 1.721 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.702 1.547 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.063 -0.092 -5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.151 -2.254 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.936 -1.289 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.884 -1.393 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.952 -1.147 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.784 -0.225 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.054 0.629 -2.889 1.00 0.00 H new ATOM 441 N GLY A 35 -2.381 0.754 -3.249 1.00 0.00 N ATOM 442 CA GLY A 35 -0.951 0.522 -3.360 1.00 0.00 C ATOM 443 C GLY A 35 -0.271 0.627 -1.993 1.00 0.00 C ATOM 444 O GLY A 35 -0.829 1.201 -1.060 1.00 0.00 O ATOM 0 H GLY A 35 -2.738 0.770 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.771 -0.466 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.513 1.248 -4.045 1.00 0.00 H new ATOM 448 N GLN A 36 0.926 0.063 -1.917 1.00 0.00 N ATOM 449 CA GLN A 36 1.690 0.087 -0.681 1.00 0.00 C ATOM 450 C GLN A 36 2.668 1.264 -0.685 1.00 0.00 C ATOM 451 O GLN A 36 3.706 1.207 -1.340 1.00 0.00 O ATOM 452 CB GLN A 36 2.422 -1.238 -0.464 1.00 0.00 C ATOM 453 CG GLN A 36 1.729 -2.377 -1.212 1.00 0.00 C ATOM 454 CD GLN A 36 2.708 -3.097 -2.142 1.00 0.00 C ATOM 455 OE1 GLN A 36 2.980 -4.279 -2.003 1.00 0.00 O ATOM 456 NE2 GLN A 36 3.219 -2.324 -3.094 1.00 0.00 N ATOM 0 H GLN A 36 1.386 -0.414 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 36 0.998 0.220 0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.453 -1.148 -0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.458 -1.467 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.313 -3.086 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.895 -1.982 -1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.949 -1.342 -3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.882 -2.712 -3.765 1.00 0.00 H new ATOM 465 N CYS A 37 2.302 2.299 0.057 1.00 0.00 N ATOM 466 CA CYS A 37 3.135 3.485 0.150 1.00 0.00 C ATOM 467 C CYS A 37 3.785 3.510 1.535 1.00 0.00 C ATOM 468 O CYS A 37 3.250 2.941 2.485 1.00 0.00 O ATOM 469 CB CYS A 37 2.336 4.759 -0.129 1.00 0.00 C ATOM 470 SG CYS A 37 3.326 6.164 -0.757 1.00 0.00 S ATOM 0 H CYS A 37 1.439 2.340 0.599 1.00 0.00 H new ATOM 0 HA CYS A 37 3.912 3.447 -0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.555 4.530 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.837 5.067 0.790 1.00 0.00 H new ATOM 475 N ALA A 38 4.927 4.176 1.605 1.00 0.00 N ATOM 476 CA ALA A 38 5.655 4.282 2.857 1.00 0.00 C ATOM 477 C ALA A 38 6.973 5.021 2.615 1.00 0.00 C ATOM 478 O ALA A 38 7.449 5.094 1.483 1.00 0.00 O ATOM 479 CB ALA A 38 5.870 2.886 3.445 1.00 0.00 C ATOM 0 H ALA A 38 5.366 4.648 0.815 1.00 0.00 H new ATOM 0 HA ALA A 38 5.082 4.857 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.417 2.967 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.904 2.415 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.443 2.280 2.743 1.00 0.00 H new ATOM 485 N TRP A 39 7.525 5.552 3.696 1.00 0.00 N ATOM 486 CA TRP A 39 8.778 6.283 3.616 1.00 0.00 C ATOM 487 C TRP A 39 9.840 5.338 3.051 1.00 0.00 C ATOM 488 O TRP A 39 10.416 4.534 3.782 1.00 0.00 O ATOM 489 CB TRP A 39 9.162 6.866 4.977 1.00 0.00 C ATOM 490 CG TRP A 39 9.115 5.853 6.123 1.00 0.00 C ATOM 491 CD1 TRP A 39 8.038 5.388 6.769 1.00 0.00 C ATOM 492 CD2 TRP A 39 10.244 5.196 6.736 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.388 4.483 7.750 1.00 0.00 N ATOM 494 CE2 TRP A 39 9.774 4.363 7.730 1.00 0.00 C ATOM 495 CE3 TRP A 39 11.618 5.304 6.462 1.00 0.00 C ATOM 496 CZ2 TRP A 39 10.608 3.572 8.528 1.00 0.00 C ATOM 497 CZ3 TRP A 39 12.441 4.506 7.267 1.00 0.00 C ATOM 498 CH2 TRP A 39 11.982 3.661 8.272 1.00 0.00 C ATOM 0 H TRP A 39 7.127 5.490 4.633 1.00 0.00 H new ATOM 0 HA TRP A 39 8.682 7.140 2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.168 7.280 4.913 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.491 7.693 5.209 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.023 5.684 6.550 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.748 3.992 8.375 1.00 0.00 H new ATOM 0 HE3 TRP A 39 12.009 5.952 5.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.213 2.928 9.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.506 4.550 7.095 1.00 0.00 H new ATOM 0 HH2 TRP A 39 12.681 3.077 8.852 1.00 0.00 H new ATOM 509 N VAL A 40 10.069 5.468 1.750 1.00 0.00 N ATOM 510 CA VAL A 40 11.053 4.635 1.078 1.00 0.00 C ATOM 511 C VAL A 40 12.446 5.237 1.278 1.00 0.00 C ATOM 512 O VAL A 40 13.387 4.527 1.629 1.00 0.00 O ATOM 513 CB VAL A 40 10.677 4.470 -0.396 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.568 5.337 -1.288 1.00 0.00 C ATOM 515 CG2 VAL A 40 10.742 3.002 -0.817 1.00 0.00 C ATOM 0 H VAL A 40 9.591 6.136 1.146 1.00 0.00 H new ATOM 0 HA VAL A 40 11.068 3.634 1.510 1.00 0.00 H new ATOM 0 HB VAL A 40 9.648 4.808 -0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.281 5.202 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.450 6.385 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.609 5.043 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.470 2.913 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.755 2.626 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.048 2.419 -0.212 1.00 0.00 H new ATOM 525 N ASP A 41 12.533 6.537 1.045 1.00 0.00 N ATOM 526 CA ASP A 41 13.794 7.242 1.195 1.00 0.00 C ATOM 527 C ASP A 41 13.908 7.779 2.623 1.00 0.00 C ATOM 528 O ASP A 41 13.365 7.189 3.556 1.00 0.00 O ATOM 529 CB ASP A 41 13.878 8.431 0.235 1.00 0.00 C ATOM 530 CG ASP A 41 15.277 8.722 -0.315 1.00 0.00 C ATOM 531 OD1 ASP A 41 16.227 8.087 0.192 1.00 0.00 O ATOM 532 OD2 ASP A 41 15.363 9.571 -1.227 1.00 0.00 O ATOM 0 H ASP A 41 11.750 7.122 0.753 1.00 0.00 H new ATOM 0 HA ASP A 41 14.599 6.542 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.205 8.250 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.514 9.320 0.750 1.00 0.00 H new ATOM 538 N THR A 42 14.618 8.891 2.749 1.00 0.00 N ATOM 539 CA THR A 42 14.808 9.513 4.048 1.00 0.00 C ATOM 540 C THR A 42 13.549 10.276 4.464 1.00 0.00 C ATOM 541 O THR A 42 13.417 11.465 4.181 1.00 0.00 O ATOM 542 CB THR A 42 16.056 10.397 3.969 1.00 0.00 C ATOM 543 OG1 THR A 42 17.136 9.493 4.182 1.00 0.00 O ATOM 544 CG2 THR A 42 16.154 11.378 5.139 1.00 0.00 C ATOM 0 H THR A 42 15.068 9.377 1.973 1.00 0.00 H new ATOM 0 HA THR A 42 14.968 8.766 4.825 1.00 0.00 H new ATOM 0 HB THR A 42 16.049 10.951 3.031 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.984 9.982 4.145 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.056 11.980 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.281 12.030 5.141 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.195 10.823 6.076 1.00 0.00 H new ATOM 552 N GLY A 43 12.655 9.559 5.131 1.00 0.00 N ATOM 553 CA GLY A 43 11.411 10.152 5.589 1.00 0.00 C ATOM 554 C GLY A 43 10.574 10.652 4.410 1.00 0.00 C ATOM 555 O GLY A 43 9.745 11.548 4.568 1.00 0.00 O ATOM 0 H GLY A 43 12.769 8.573 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.842 9.417 6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.626 10.980 6.264 1.00 0.00 H new ATOM 559 N VAL A 44 10.821 10.054 3.256 1.00 0.00 N ATOM 560 CA VAL A 44 10.101 10.427 2.050 1.00 0.00 C ATOM 561 C VAL A 44 9.047 9.362 1.740 1.00 0.00 C ATOM 562 O VAL A 44 9.370 8.303 1.203 1.00 0.00 O ATOM 563 CB VAL A 44 11.084 10.648 0.899 1.00 0.00 C ATOM 564 CG1 VAL A 44 10.357 11.114 -0.363 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.182 11.635 1.298 1.00 0.00 C ATOM 0 H VAL A 44 11.510 9.313 3.129 1.00 0.00 H new ATOM 0 HA VAL A 44 9.576 11.371 2.196 1.00 0.00 H new ATOM 0 HB VAL A 44 11.559 9.692 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.080 11.263 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.631 10.359 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.841 12.053 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.867 11.774 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.732 12.592 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.730 11.243 2.155 1.00 0.00 H new ATOM 575 N LEU A 45 7.810 9.679 2.093 1.00 0.00 N ATOM 576 CA LEU A 45 6.707 8.763 1.860 1.00 0.00 C ATOM 577 C LEU A 45 6.640 8.419 0.370 1.00 0.00 C ATOM 578 O LEU A 45 5.935 9.080 -0.392 1.00 0.00 O ATOM 579 CB LEU A 45 5.403 9.341 2.415 1.00 0.00 C ATOM 580 CG LEU A 45 5.105 9.029 3.883 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.421 10.214 4.567 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.288 7.742 4.015 1.00 0.00 C ATOM 0 H LEU A 45 7.547 10.558 2.539 1.00 0.00 H new ATOM 0 HA LEU A 45 6.870 7.829 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.426 10.424 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.577 8.969 1.810 1.00 0.00 H new ATOM 0 HG LEU A 45 6.052 8.863 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.220 9.966 5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.073 11.087 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.482 10.435 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.090 7.543 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.343 7.855 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.848 6.910 3.588 1.00 0.00 H new ATOM 594 N ALA A 46 7.385 7.389 -0.001 1.00 0.00 N ATOM 595 CA ALA A 46 7.421 6.952 -1.386 1.00 0.00 C ATOM 596 C ALA A 46 6.506 5.737 -1.556 1.00 0.00 C ATOM 597 O ALA A 46 6.278 4.989 -0.605 1.00 0.00 O ATOM 598 CB ALA A 46 8.866 6.653 -1.790 1.00 0.00 C ATOM 0 H ALA A 46 7.969 6.844 0.634 1.00 0.00 H new ATOM 0 HA ALA A 46 7.054 7.738 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.893 6.325 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.469 7.554 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.267 5.866 -1.151 1.00 0.00 H new ATOM 604 N CYS A 47 6.006 5.577 -2.773 1.00 0.00 N ATOM 605 CA CYS A 47 5.122 4.467 -3.079 1.00 0.00 C ATOM 606 C CYS A 47 5.837 3.540 -4.064 1.00 0.00 C ATOM 607 O CYS A 47 6.676 3.986 -4.843 1.00 0.00 O ATOM 608 CB CYS A 47 3.776 4.949 -3.623 1.00 0.00 C ATOM 609 SG CYS A 47 3.110 6.447 -2.810 1.00 0.00 S ATOM 0 H CYS A 47 6.197 6.199 -3.559 1.00 0.00 H new ATOM 0 HA CYS A 47 4.894 3.918 -2.165 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.882 5.148 -4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.049 4.143 -3.520 1.00 0.00 H new ATOM 614 N ASN A 48 5.479 2.265 -3.992 1.00 0.00 N ATOM 615 CA ASN A 48 6.077 1.272 -4.869 1.00 0.00 C ATOM 616 C ASN A 48 5.477 1.406 -6.269 1.00 0.00 C ATOM 617 O ASN A 48 4.505 2.134 -6.466 1.00 0.00 O ATOM 618 CB ASN A 48 5.794 -0.145 -4.367 1.00 0.00 C ATOM 619 CG ASN A 48 5.790 -0.196 -2.838 1.00 0.00 C ATOM 620 OD1 ASN A 48 5.104 -0.993 -2.219 1.00 0.00 O ATOM 621 ND2 ASN A 48 6.592 0.697 -2.265 1.00 0.00 N ATOM 0 H ASN A 48 4.784 1.898 -3.342 1.00 0.00 H new ATOM 0 HA ASN A 48 7.154 1.441 -4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.831 -0.484 -4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.549 -0.829 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.660 0.743 -1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.139 1.335 -2.842 1.00 0.00 H new ATOM 628 N PRO A 49 6.102 0.676 -7.233 1.00 0.00 N ATOM 629 CA PRO A 49 5.640 0.707 -8.611 1.00 0.00 C ATOM 630 C PRO A 49 4.354 -0.106 -8.776 1.00 0.00 C ATOM 631 O PRO A 49 3.697 -0.032 -9.815 1.00 0.00 O ATOM 632 CB PRO A 49 6.799 0.157 -9.426 1.00 0.00 C ATOM 633 CG PRO A 49 7.682 -0.590 -8.442 1.00 0.00 C ATOM 634 CD PRO A 49 7.255 -0.195 -7.038 1.00 0.00 C ATOM 0 HA PRO A 49 5.377 1.711 -8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.442 -0.507 -10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.350 0.961 -9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.583 -1.666 -8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.731 -0.342 -8.606 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.994 -1.070 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.057 0.322 -6.511 1.00 0.00 H new ATOM 642 N ALA A 50 4.031 -0.862 -7.738 1.00 0.00 N ATOM 643 CA ALA A 50 2.836 -1.687 -7.756 1.00 0.00 C ATOM 644 C ALA A 50 1.791 -1.084 -6.816 1.00 0.00 C ATOM 645 O ALA A 50 0.809 -1.740 -6.469 1.00 0.00 O ATOM 646 CB ALA A 50 3.200 -3.124 -7.376 1.00 0.00 C ATOM 0 H ALA A 50 4.577 -0.921 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 50 2.404 -1.714 -8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.303 -3.742 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.923 -3.517 -8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.634 -3.137 -6.376 1.00 0.00 H new ATOM 652 N ASP A 51 2.037 0.158 -6.429 1.00 0.00 N ATOM 653 CA ASP A 51 1.130 0.858 -5.535 1.00 0.00 C ATOM 654 C ASP A 51 0.066 1.587 -6.361 1.00 0.00 C ATOM 655 O ASP A 51 -0.715 2.368 -5.822 1.00 0.00 O ATOM 656 CB ASP A 51 1.874 1.901 -4.700 1.00 0.00 C ATOM 657 CG ASP A 51 1.003 3.036 -4.154 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.782 3.997 -4.920 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.579 2.914 -2.984 1.00 0.00 O ATOM 0 H ASP A 51 2.852 0.699 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 51 0.677 0.121 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.355 1.397 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.667 2.333 -5.310 1.00 0.00 H new ATOM 665 N PHE A 52 0.074 1.303 -7.655 1.00 0.00 N ATOM 666 CA PHE A 52 -0.880 1.921 -8.560 1.00 0.00 C ATOM 667 C PHE A 52 -1.941 0.916 -9.011 1.00 0.00 C ATOM 668 O PHE A 52 -1.731 0.171 -9.965 1.00 0.00 O ATOM 669 CB PHE A 52 -0.091 2.392 -9.785 1.00 0.00 C ATOM 670 CG PHE A 52 1.342 2.828 -9.473 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.594 3.616 -8.394 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.364 2.426 -10.274 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.923 4.019 -8.103 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.694 2.828 -9.985 1.00 0.00 C ATOM 675 CZ PHE A 52 3.947 3.617 -8.906 1.00 0.00 C ATOM 0 H PHE A 52 0.725 0.654 -8.098 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.388 2.745 -8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.063 1.586 -10.518 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.621 3.225 -10.247 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.782 3.935 -7.758 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.164 1.800 -11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.122 4.644 -7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.505 2.508 -10.622 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.959 3.924 -8.686 1.00 0.00 H new ATOM 685 N SER A 53 -3.059 0.927 -8.300 1.00 0.00 N ATOM 686 CA SER A 53 -4.154 0.024 -8.613 1.00 0.00 C ATOM 687 C SER A 53 -5.488 0.659 -8.209 1.00 0.00 C ATOM 688 O SER A 53 -5.983 0.420 -7.109 1.00 0.00 O ATOM 689 CB SER A 53 -3.975 -1.324 -7.913 1.00 0.00 C ATOM 690 OG SER A 53 -4.727 -2.357 -8.542 1.00 0.00 O ATOM 0 H SER A 53 -3.230 1.547 -7.508 1.00 0.00 H new ATOM 0 HA SER A 53 -4.153 -0.153 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.919 -1.594 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.283 -1.235 -6.871 1.00 0.00 H new ATOM 0 HG SER A 53 -5.682 -2.141 -8.496 1.00 0.00 H new ATOM 696 N SER A 54 -6.027 1.455 -9.120 1.00 0.00 N ATOM 697 CA SER A 54 -7.293 2.125 -8.872 1.00 0.00 C ATOM 698 C SER A 54 -8.323 1.121 -8.352 1.00 0.00 C ATOM 699 O SER A 54 -8.356 -0.026 -8.796 1.00 0.00 O ATOM 700 CB SER A 54 -7.810 2.809 -10.139 1.00 0.00 C ATOM 701 OG SER A 54 -8.814 3.778 -9.851 1.00 0.00 O ATOM 0 H SER A 54 -5.611 1.651 -10.030 1.00 0.00 H new ATOM 0 HA SER A 54 -7.132 2.894 -8.116 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.980 3.290 -10.656 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.215 2.058 -10.817 1.00 0.00 H new ATOM 0 HG SER A 54 -9.117 4.193 -10.685 1.00 0.00 H new ATOM 707 N VAL A 55 -9.139 1.591 -7.419 1.00 0.00 N ATOM 708 CA VAL A 55 -10.169 0.748 -6.834 1.00 0.00 C ATOM 709 C VAL A 55 -11.180 1.626 -6.094 1.00 0.00 C ATOM 710 O VAL A 55 -10.979 2.832 -5.961 1.00 0.00 O ATOM 711 CB VAL A 55 -9.528 -0.313 -5.936 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.546 0.125 -4.470 1.00 0.00 C ATOM 713 CG2 VAL A 55 -10.217 -1.668 -6.112 1.00 0.00 C ATOM 0 H VAL A 55 -9.108 2.543 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.712 0.212 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.487 -0.424 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.085 -0.647 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.990 1.056 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.576 0.278 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.743 -2.404 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.271 -1.577 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.129 -1.989 -7.150 1.00 0.00 H new ATOM 723 N THR A 56 -12.244 0.987 -5.631 1.00 0.00 N ATOM 724 CA THR A 56 -13.286 1.694 -4.908 1.00 0.00 C ATOM 725 C THR A 56 -13.870 0.805 -3.809 1.00 0.00 C ATOM 726 O THR A 56 -13.762 -0.418 -3.871 1.00 0.00 O ATOM 727 CB THR A 56 -14.327 2.168 -5.923 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.060 3.560 -6.071 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.753 2.119 -5.367 1.00 0.00 C ATOM 0 H THR A 56 -12.407 -0.014 -5.743 1.00 0.00 H new ATOM 0 HA THR A 56 -12.887 2.570 -4.396 1.00 0.00 H new ATOM 0 HB THR A 56 -14.266 1.551 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.653 4.071 -5.482 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.452 2.466 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.000 1.095 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.824 2.762 -4.489 1.00 0.00 H new ATOM 737 N ALA A 57 -14.477 1.454 -2.825 1.00 0.00 N ATOM 738 CA ALA A 57 -15.077 0.738 -1.715 1.00 0.00 C ATOM 739 C ALA A 57 -16.600 0.741 -1.875 1.00 0.00 C ATOM 740 O ALA A 57 -17.167 1.677 -2.435 1.00 0.00 O ATOM 741 CB ALA A 57 -14.630 1.371 -0.395 1.00 0.00 C ATOM 0 H ALA A 57 -14.565 2.469 -2.775 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.747 -0.301 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.081 0.832 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.544 1.318 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.946 2.414 -0.366 1.00 0.00 H new ATOM 747 N ASP A 58 -17.216 -0.319 -1.372 1.00 0.00 N ATOM 748 CA ASP A 58 -18.662 -0.450 -1.453 1.00 0.00 C ATOM 749 C ASP A 58 -19.317 0.604 -0.559 1.00 0.00 C ATOM 750 O ASP A 58 -18.682 1.126 0.358 1.00 0.00 O ATOM 751 CB ASP A 58 -19.117 -1.829 -0.970 1.00 0.00 C ATOM 752 CG ASP A 58 -18.258 -2.999 -1.451 1.00 0.00 C ATOM 753 OD1 ASP A 58 -17.409 -2.754 -2.335 1.00 0.00 O ATOM 754 OD2 ASP A 58 -18.471 -4.114 -0.928 1.00 0.00 O ATOM 0 H ASP A 58 -16.742 -1.094 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.955 -0.317 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.128 -1.830 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.143 -1.992 -1.299 1.00 0.00 H new ATOM 760 N ALA A 59 -20.577 0.884 -0.854 1.00 0.00 N ATOM 761 CA ALA A 59 -21.323 1.867 -0.088 1.00 0.00 C ATOM 762 C ALA A 59 -20.993 1.710 1.397 1.00 0.00 C ATOM 763 O ALA A 59 -20.891 2.697 2.124 1.00 0.00 O ATOM 764 CB ALA A 59 -22.820 1.707 -0.372 1.00 0.00 C ATOM 0 H ALA A 59 -21.100 0.447 -1.613 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.040 2.877 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.380 2.445 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -23.007 1.857 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.140 0.705 -0.086 1.00 0.00 H new ATOM 770 N ASN A 60 -20.830 0.461 1.806 1.00 0.00 N ATOM 771 CA ASN A 60 -20.514 0.161 3.191 1.00 0.00 C ATOM 772 C ASN A 60 -18.997 0.207 3.383 1.00 0.00 C ATOM 773 O ASN A 60 -18.435 -0.606 4.116 1.00 0.00 O ATOM 774 CB ASN A 60 -20.996 -1.239 3.576 1.00 0.00 C ATOM 775 CG ASN A 60 -21.712 -1.220 4.930 1.00 0.00 C ATOM 776 OD1 ASN A 60 -22.402 -0.277 5.281 1.00 0.00 O ATOM 777 ND2 ASN A 60 -21.510 -2.309 5.664 1.00 0.00 N ATOM 0 H ASN A 60 -20.911 -0.356 1.201 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.013 0.899 3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -21.671 -1.619 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.147 -1.921 3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.945 -2.393 6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.920 -3.061 5.309 1.00 0.00 H new ATOM 784 N GLY A 61 -18.376 1.166 2.710 1.00 0.00 N ATOM 785 CA GLY A 61 -16.935 1.331 2.799 1.00 0.00 C ATOM 786 C GLY A 61 -16.228 -0.027 2.775 1.00 0.00 C ATOM 787 O GLY A 61 -15.269 -0.244 3.516 1.00 0.00 O ATOM 0 H GLY A 61 -18.845 1.836 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.583 1.944 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.681 1.862 3.717 1.00 0.00 H new ATOM 791 N SER A 62 -16.726 -0.905 1.916 1.00 0.00 N ATOM 792 CA SER A 62 -16.153 -2.233 1.787 1.00 0.00 C ATOM 793 C SER A 62 -15.312 -2.318 0.512 1.00 0.00 C ATOM 794 O SER A 62 -15.847 -2.519 -0.577 1.00 0.00 O ATOM 795 CB SER A 62 -17.246 -3.305 1.774 1.00 0.00 C ATOM 796 OG SER A 62 -18.019 -3.292 2.970 1.00 0.00 O ATOM 0 H SER A 62 -17.520 -0.722 1.303 1.00 0.00 H new ATOM 0 HA SER A 62 -15.513 -2.415 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.901 -3.145 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.790 -4.287 1.648 1.00 0.00 H new ATOM 0 HG SER A 62 -18.072 -2.376 3.316 1.00 0.00 H new ATOM 802 N ALA A 63 -14.008 -2.160 0.690 1.00 0.00 N ATOM 803 CA ALA A 63 -13.088 -2.217 -0.433 1.00 0.00 C ATOM 804 C ALA A 63 -12.352 -3.558 -0.416 1.00 0.00 C ATOM 805 O ALA A 63 -11.354 -3.715 0.288 1.00 0.00 O ATOM 806 CB ALA A 63 -12.130 -1.025 -0.368 1.00 0.00 C ATOM 0 H ALA A 63 -13.567 -1.993 1.595 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.629 -2.150 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.439 -1.067 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.700 -0.097 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.567 -1.061 0.565 1.00 0.00 H new ATOM 812 N SER A 64 -12.869 -4.491 -1.201 1.00 0.00 N ATOM 813 CA SER A 64 -12.275 -5.814 -1.286 1.00 0.00 C ATOM 814 C SER A 64 -11.537 -5.972 -2.617 1.00 0.00 C ATOM 815 O SER A 64 -12.046 -6.606 -3.540 1.00 0.00 O ATOM 816 CB SER A 64 -13.334 -6.906 -1.133 1.00 0.00 C ATOM 817 OG SER A 64 -14.474 -6.662 -1.952 1.00 0.00 O ATOM 0 H SER A 64 -13.694 -4.357 -1.785 1.00 0.00 H new ATOM 0 HA SER A 64 -11.563 -5.921 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.900 -7.871 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.643 -6.967 -0.090 1.00 0.00 H new ATOM 0 HG SER A 64 -14.191 -6.558 -2.884 1.00 0.00 H new ATOM 823 N THR A 65 -10.351 -5.384 -2.673 1.00 0.00 N ATOM 824 CA THR A 65 -9.539 -5.451 -3.878 1.00 0.00 C ATOM 825 C THR A 65 -8.335 -6.369 -3.656 1.00 0.00 C ATOM 826 O THR A 65 -7.619 -6.232 -2.666 1.00 0.00 O ATOM 827 CB THR A 65 -9.154 -4.025 -4.268 1.00 0.00 C ATOM 828 OG1 THR A 65 -8.311 -4.192 -5.405 1.00 0.00 O ATOM 829 CG2 THR A 65 -8.251 -3.357 -3.229 1.00 0.00 C ATOM 0 H THR A 65 -9.933 -4.859 -1.905 1.00 0.00 H new ATOM 0 HA THR A 65 -10.094 -5.889 -4.707 1.00 0.00 H new ATOM 0 HB THR A 65 -10.057 -3.429 -4.401 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.840 -3.352 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.007 -2.346 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.769 -3.314 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.333 -3.934 -3.120 1.00 0.00 H new ATOM 837 N SER A 66 -8.146 -7.284 -4.596 1.00 0.00 N ATOM 838 CA SER A 66 -7.041 -8.221 -4.517 1.00 0.00 C ATOM 839 C SER A 66 -5.822 -7.659 -5.252 1.00 0.00 C ATOM 840 O SER A 66 -5.938 -7.194 -6.385 1.00 0.00 O ATOM 841 CB SER A 66 -7.429 -9.583 -5.100 1.00 0.00 C ATOM 842 OG SER A 66 -7.516 -9.550 -6.522 1.00 0.00 O ATOM 0 H SER A 66 -8.741 -7.395 -5.417 1.00 0.00 H new ATOM 0 HA SER A 66 -6.790 -8.363 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.693 -10.329 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.388 -9.895 -4.685 1.00 0.00 H new ATOM 0 HG SER A 66 -7.764 -10.438 -6.855 1.00 0.00 H new ATOM 848 N LEU A 67 -4.683 -7.720 -4.580 1.00 0.00 N ATOM 849 CA LEU A 67 -3.447 -7.223 -5.154 1.00 0.00 C ATOM 850 C LEU A 67 -2.272 -8.036 -4.608 1.00 0.00 C ATOM 851 O LEU A 67 -2.463 -8.950 -3.807 1.00 0.00 O ATOM 852 CB LEU A 67 -3.314 -5.718 -4.918 1.00 0.00 C ATOM 853 CG LEU A 67 -3.160 -4.852 -6.171 1.00 0.00 C ATOM 854 CD1 LEU A 67 -3.321 -3.368 -5.837 1.00 0.00 C ATOM 855 CD2 LEU A 67 -1.834 -5.140 -6.877 1.00 0.00 C ATOM 0 H LEU A 67 -4.591 -8.107 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.451 -7.354 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.193 -5.377 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.452 -5.546 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.958 -5.113 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.207 -2.776 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.310 -3.196 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.561 -3.073 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.750 -4.512 -7.764 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.007 -4.925 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.799 -6.189 -7.171 1.00 0.00 H new ATOM 867 N THR A 68 -1.081 -7.677 -5.065 1.00 0.00 N ATOM 868 CA THR A 68 0.125 -8.362 -4.633 1.00 0.00 C ATOM 869 C THR A 68 0.916 -7.487 -3.659 1.00 0.00 C ATOM 870 O THR A 68 1.142 -6.306 -3.924 1.00 0.00 O ATOM 871 CB THR A 68 0.918 -8.757 -5.879 1.00 0.00 C ATOM 872 OG1 THR A 68 -0.036 -9.414 -6.708 1.00 0.00 O ATOM 873 CG2 THR A 68 1.967 -9.833 -5.592 1.00 0.00 C ATOM 0 H THR A 68 -0.926 -6.920 -5.731 1.00 0.00 H new ATOM 0 HA THR A 68 -0.113 -9.272 -4.082 1.00 0.00 H new ATOM 0 HB THR A 68 1.408 -7.874 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.396 -9.701 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.500 -10.076 -6.511 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.674 -9.463 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.475 -10.728 -5.211 1.00 0.00 H new ATOM 881 N VAL A 69 1.318 -8.098 -2.555 1.00 0.00 N ATOM 882 CA VAL A 69 2.080 -7.389 -1.541 1.00 0.00 C ATOM 883 C VAL A 69 3.573 -7.521 -1.846 1.00 0.00 C ATOM 884 O VAL A 69 4.243 -8.409 -1.320 1.00 0.00 O ATOM 885 CB VAL A 69 1.707 -7.904 -0.150 1.00 0.00 C ATOM 886 CG1 VAL A 69 2.208 -9.336 0.057 1.00 0.00 C ATOM 887 CG2 VAL A 69 2.239 -6.974 0.941 1.00 0.00 C ATOM 0 H VAL A 69 1.130 -9.077 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 69 1.838 -6.326 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 69 0.619 -7.915 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.930 -9.678 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.759 -9.990 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.293 -9.360 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.959 -7.364 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.325 -6.915 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.812 -5.979 0.811 1.00 0.00 H new ATOM 897 N ARG A 70 4.054 -6.625 -2.697 1.00 0.00 N ATOM 898 CA ARG A 70 5.455 -6.630 -3.079 1.00 0.00 C ATOM 899 C ARG A 70 6.257 -5.699 -2.167 1.00 0.00 C ATOM 900 O ARG A 70 6.005 -4.495 -2.128 1.00 0.00 O ATOM 901 CB ARG A 70 5.631 -6.186 -4.531 1.00 0.00 C ATOM 902 CG ARG A 70 4.652 -6.917 -5.451 1.00 0.00 C ATOM 903 CD ARG A 70 5.380 -7.544 -6.642 1.00 0.00 C ATOM 904 NE ARG A 70 4.511 -8.551 -7.293 1.00 0.00 N ATOM 905 CZ ARG A 70 4.936 -9.427 -8.213 1.00 0.00 C ATOM 906 NH1 ARG A 70 6.220 -9.426 -8.597 1.00 0.00 N ATOM 907 NH2 ARG A 70 4.078 -10.304 -8.750 1.00 0.00 N ATOM 0 H ARG A 70 3.497 -5.890 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 70 5.823 -7.651 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.473 -5.110 -4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.654 -6.382 -4.853 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.131 -7.693 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.895 -6.220 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.655 -6.771 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.306 -8.012 -6.308 1.00 0.00 H new ATOM 0 HE ARG A 70 3.527 -8.579 -7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.874 -8.758 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.543 -10.093 -9.298 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.101 -10.305 -8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.402 -10.971 -9.451 1.00 0.00 H new ATOM 921 N ARG A 71 7.205 -6.293 -1.455 1.00 0.00 N ATOM 922 CA ARG A 71 8.044 -5.531 -0.548 1.00 0.00 C ATOM 923 C ARG A 71 9.292 -5.024 -1.275 1.00 0.00 C ATOM 924 O ARG A 71 9.787 -3.938 -0.980 1.00 0.00 O ATOM 925 CB ARG A 71 8.472 -6.381 0.651 1.00 0.00 C ATOM 926 CG ARG A 71 9.386 -5.587 1.588 1.00 0.00 C ATOM 927 CD ARG A 71 10.138 -6.521 2.540 1.00 0.00 C ATOM 928 NE ARG A 71 10.788 -7.608 1.775 1.00 0.00 N ATOM 929 CZ ARG A 71 11.302 -8.715 2.329 1.00 0.00 C ATOM 930 NH1 ARG A 71 11.246 -8.887 3.657 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.874 -9.648 1.555 1.00 0.00 N ATOM 0 H ARG A 71 7.409 -7.292 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 71 7.459 -4.684 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.590 -6.717 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.991 -7.274 0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.099 -5.008 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.794 -4.875 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.887 -5.959 3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.447 -6.942 3.270 1.00 0.00 H new ATOM 0 HE ARG A 71 10.849 -7.509 0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.812 -8.176 4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.637 -9.729 4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.918 -9.515 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.265 -10.490 1.976 1.00 0.00 H new ATOM 945 N SER A 72 9.761 -5.835 -2.211 1.00 0.00 N ATOM 946 CA SER A 72 10.941 -5.484 -2.983 1.00 0.00 C ATOM 947 C SER A 72 10.526 -4.845 -4.310 1.00 0.00 C ATOM 948 O SER A 72 9.913 -5.497 -5.153 1.00 0.00 O ATOM 949 CB SER A 72 11.820 -6.709 -3.237 1.00 0.00 C ATOM 950 OG SER A 72 11.204 -7.632 -4.131 1.00 0.00 O ATOM 0 H SER A 72 9.345 -6.735 -2.453 1.00 0.00 H new ATOM 0 HA SER A 72 11.525 -4.766 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.777 -6.389 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.031 -7.207 -2.290 1.00 0.00 H new ATOM 0 HG SER A 72 10.603 -7.150 -4.736 1.00 0.00 H new ATOM 956 N PHE A 73 10.878 -3.574 -4.452 1.00 0.00 N ATOM 957 CA PHE A 73 10.549 -2.841 -5.663 1.00 0.00 C ATOM 958 C PHE A 73 11.107 -1.415 -5.607 1.00 0.00 C ATOM 959 O PHE A 73 11.505 -0.943 -4.543 1.00 0.00 O ATOM 960 CB PHE A 73 9.023 -2.775 -5.747 1.00 0.00 C ATOM 961 CG PHE A 73 8.444 -3.381 -7.027 1.00 0.00 C ATOM 962 CD1 PHE A 73 9.166 -3.354 -8.180 1.00 0.00 C ATOM 963 CD2 PHE A 73 7.208 -3.948 -7.012 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.629 -3.917 -9.367 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.670 -4.509 -8.201 1.00 0.00 C ATOM 966 CZ PHE A 73 7.391 -4.482 -9.353 1.00 0.00 C ATOM 0 H PHE A 73 11.386 -3.035 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 73 10.982 -3.340 -6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.599 -3.294 -4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.710 -1.733 -5.676 1.00 0.00 H new ATOM 0 HD1 PHE A 73 10.148 -2.904 -8.192 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.636 -3.972 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.203 -3.897 -10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.687 -4.957 -8.190 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.982 -4.909 -10.257 1.00 0.00 H new ATOM 976 N GLU A 74 11.114 -0.772 -6.764 1.00 0.00 N ATOM 977 CA GLU A 74 11.616 0.588 -6.862 1.00 0.00 C ATOM 978 C GLU A 74 10.542 1.583 -6.410 1.00 0.00 C ATOM 979 O GLU A 74 9.537 1.767 -7.094 1.00 0.00 O ATOM 980 CB GLU A 74 12.088 0.898 -8.283 1.00 0.00 C ATOM 981 CG GLU A 74 12.560 2.349 -8.400 1.00 0.00 C ATOM 982 CD GLU A 74 14.081 2.424 -8.538 1.00 0.00 C ATOM 983 OE1 GLU A 74 14.531 3.048 -9.523 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.759 1.854 -7.657 1.00 0.00 O ATOM 0 H GLU A 74 10.780 -1.167 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 74 12.477 0.686 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.901 0.224 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.276 0.718 -8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.090 2.819 -9.264 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.244 2.910 -7.520 1.00 0.00 H new ATOM 992 N GLY A 75 10.794 2.196 -5.264 1.00 0.00 N ATOM 993 CA GLY A 75 9.861 3.165 -4.714 1.00 0.00 C ATOM 994 C GLY A 75 10.023 4.527 -5.394 1.00 0.00 C ATOM 995 O GLY A 75 11.045 4.793 -6.026 1.00 0.00 O ATOM 0 H GLY A 75 11.630 2.041 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.840 2.808 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.027 3.267 -3.642 1.00 0.00 H new ATOM 999 N PHE A 76 8.998 5.353 -5.244 1.00 0.00 N ATOM 1000 CA PHE A 76 9.012 6.680 -5.836 1.00 0.00 C ATOM 1001 C PHE A 76 8.631 7.744 -4.807 1.00 0.00 C ATOM 1002 O PHE A 76 7.657 7.583 -4.072 1.00 0.00 O ATOM 1003 CB PHE A 76 7.975 6.680 -6.960 1.00 0.00 C ATOM 1004 CG PHE A 76 8.301 5.722 -8.107 1.00 0.00 C ATOM 1005 CD1 PHE A 76 8.136 4.382 -7.941 1.00 0.00 C ATOM 1006 CD2 PHE A 76 8.751 6.208 -9.293 1.00 0.00 C ATOM 1007 CE1 PHE A 76 8.439 3.492 -9.005 1.00 0.00 C ATOM 1008 CE2 PHE A 76 9.053 5.320 -10.359 1.00 0.00 C ATOM 1009 CZ PHE A 76 8.891 3.980 -10.191 1.00 0.00 C ATOM 0 H PHE A 76 8.152 5.129 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 76 10.011 6.911 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.003 6.415 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.886 7.691 -7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.774 3.995 -7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.879 7.272 -9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.311 2.428 -8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.411 5.708 -11.301 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.122 3.303 -11.000 1.00 0.00 H new ATOM 1019 N LEU A 77 9.420 8.809 -4.782 1.00 0.00 N ATOM 1020 CA LEU A 77 9.177 9.901 -3.854 1.00 0.00 C ATOM 1021 C LEU A 77 7.927 10.668 -4.291 1.00 0.00 C ATOM 1022 O LEU A 77 7.727 10.909 -5.481 1.00 0.00 O ATOM 1023 CB LEU A 77 10.422 10.777 -3.721 1.00 0.00 C ATOM 1024 CG LEU A 77 11.727 10.045 -3.398 1.00 0.00 C ATOM 1025 CD1 LEU A 77 11.538 9.082 -2.224 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.281 9.340 -4.636 1.00 0.00 C ATOM 0 H LEU A 77 10.229 8.939 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 77 8.980 9.515 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.557 11.325 -4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.240 11.516 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 77 12.467 10.784 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.480 8.574 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.223 9.640 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.777 8.344 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.208 8.828 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.553 8.613 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.477 10.075 -5.416 1.00 0.00 H new ATOM 1038 N PHE A 78 7.120 11.030 -3.306 1.00 0.00 N ATOM 1039 CA PHE A 78 5.896 11.767 -3.574 1.00 0.00 C ATOM 1040 C PHE A 78 6.197 13.099 -4.268 1.00 0.00 C ATOM 1041 O PHE A 78 5.352 13.634 -4.984 1.00 0.00 O ATOM 1042 CB PHE A 78 5.236 12.048 -2.222 1.00 0.00 C ATOM 1043 CG PHE A 78 5.552 13.432 -1.651 1.00 0.00 C ATOM 1044 CD1 PHE A 78 6.766 13.677 -1.093 1.00 0.00 C ATOM 1045 CD2 PHE A 78 4.615 14.417 -1.703 1.00 0.00 C ATOM 1046 CE1 PHE A 78 7.059 14.962 -0.564 1.00 0.00 C ATOM 1047 CE2 PHE A 78 4.907 15.702 -1.175 1.00 0.00 C ATOM 1048 CZ PHE A 78 6.123 15.947 -0.616 1.00 0.00 C ATOM 0 H PHE A 78 7.289 10.827 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 78 5.248 11.185 -4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.156 11.948 -2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.557 11.290 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.509 12.894 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.650 14.221 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.024 15.157 -0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.164 16.485 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.345 16.924 -0.213 1.00 0.00 H new ATOM 1058 N ASP A 79 7.403 13.592 -4.030 1.00 0.00 N ATOM 1059 CA ASP A 79 7.824 14.850 -4.623 1.00 0.00 C ATOM 1060 C ASP A 79 7.611 14.793 -6.137 1.00 0.00 C ATOM 1061 O ASP A 79 6.959 15.664 -6.709 1.00 0.00 O ATOM 1062 CB ASP A 79 9.310 15.108 -4.363 1.00 0.00 C ATOM 1063 CG ASP A 79 9.800 16.507 -4.750 1.00 0.00 C ATOM 1064 OD1 ASP A 79 10.962 16.816 -4.405 1.00 0.00 O ATOM 1065 OD2 ASP A 79 9.001 17.234 -5.379 1.00 0.00 O ATOM 0 H ASP A 79 8.101 13.144 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 79 7.234 15.650 -4.175 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.511 14.949 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.894 14.370 -4.913 1.00 0.00 H new ATOM 1071 N GLY A 80 8.175 13.757 -6.743 1.00 0.00 N ATOM 1072 CA GLY A 80 8.055 13.576 -8.179 1.00 0.00 C ATOM 1073 C GLY A 80 9.159 12.659 -8.710 1.00 0.00 C ATOM 1074 O GLY A 80 8.986 12.002 -9.737 1.00 0.00 O ATOM 0 H GLY A 80 8.715 13.036 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.079 13.151 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.110 14.544 -8.677 1.00 0.00 H new ATOM 1078 N THR A 81 10.268 12.646 -7.988 1.00 0.00 N ATOM 1079 CA THR A 81 11.402 11.820 -8.373 1.00 0.00 C ATOM 1080 C THR A 81 11.225 10.394 -7.850 1.00 0.00 C ATOM 1081 O THR A 81 10.367 10.141 -7.005 1.00 0.00 O ATOM 1082 CB THR A 81 12.677 12.499 -7.868 1.00 0.00 C ATOM 1083 OG1 THR A 81 12.511 13.866 -8.237 1.00 0.00 O ATOM 1084 CG2 THR A 81 13.922 12.055 -8.637 1.00 0.00 C ATOM 0 H THR A 81 10.407 13.193 -7.139 1.00 0.00 H new ATOM 0 HA THR A 81 11.474 11.729 -9.457 1.00 0.00 H new ATOM 0 HB THR A 81 12.809 12.281 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.293 14.381 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.798 12.567 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.051 10.978 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.806 12.303 -9.692 1.00 0.00 H new ATOM 1092 N ARG A 82 12.052 9.499 -8.375 1.00 0.00 N ATOM 1093 CA ARG A 82 11.997 8.104 -7.969 1.00 0.00 C ATOM 1094 C ARG A 82 13.238 7.743 -7.150 1.00 0.00 C ATOM 1095 O ARG A 82 14.342 8.191 -7.454 1.00 0.00 O ATOM 1096 CB ARG A 82 11.910 7.181 -9.186 1.00 0.00 C ATOM 1097 CG ARG A 82 13.143 7.333 -10.079 1.00 0.00 C ATOM 1098 CD ARG A 82 13.071 6.385 -11.278 1.00 0.00 C ATOM 1099 NE ARG A 82 12.827 7.155 -12.518 1.00 0.00 N ATOM 1100 CZ ARG A 82 12.685 6.603 -13.731 1.00 0.00 C ATOM 1101 NH1 ARG A 82 12.762 5.272 -13.873 1.00 0.00 N ATOM 1102 NH2 ARG A 82 12.465 7.381 -14.799 1.00 0.00 N ATOM 0 H ARG A 82 12.762 9.713 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 82 11.103 7.968 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.821 6.146 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.011 7.412 -9.758 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.219 8.363 -10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.043 7.126 -9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.002 5.825 -11.365 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.273 5.657 -11.129 1.00 0.00 H new ATOM 0 HE ARG A 82 12.763 8.170 -12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.928 4.681 -13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.654 4.850 -14.796 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.406 8.393 -14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.357 6.961 -15.722 1.00 0.00 H new ATOM 1116 N TRP A 83 13.016 6.928 -6.128 1.00 0.00 N ATOM 1117 CA TRP A 83 14.100 6.500 -5.262 1.00 0.00 C ATOM 1118 C TRP A 83 14.465 5.062 -5.640 1.00 0.00 C ATOM 1119 O TRP A 83 15.320 4.837 -6.495 1.00 0.00 O ATOM 1120 CB TRP A 83 13.720 6.653 -3.789 1.00 0.00 C ATOM 1121 CG TRP A 83 14.679 5.951 -2.823 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.558 4.730 -2.282 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.916 6.481 -2.303 1.00 0.00 C ATOM 1124 NE1 TRP A 83 15.622 4.437 -1.456 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.473 5.534 -1.467 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.542 7.719 -2.528 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.685 5.727 -0.791 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 17.751 7.896 -1.846 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.327 6.953 -1.002 1.00 0.00 C ATOM 0 H TRP A 83 12.100 6.553 -5.881 1.00 0.00 H new ATOM 0 HA TRP A 83 14.978 7.131 -5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 83 13.684 7.714 -3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.716 6.256 -3.640 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.731 4.061 -2.470 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.759 3.572 -0.932 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.123 8.474 -3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 18.101 4.971 -0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.274 8.831 -1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.265 7.165 -0.511 1.00 0.00 H new ATOM 1140 N GLY A 84 13.799 4.125 -4.982 1.00 0.00 N ATOM 1141 CA GLY A 84 14.041 2.715 -5.237 1.00 0.00 C ATOM 1142 C GLY A 84 13.827 1.882 -3.971 1.00 0.00 C ATOM 1143 O GLY A 84 12.796 1.230 -3.820 1.00 0.00 O ATOM 0 H GLY A 84 13.091 4.315 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.373 2.365 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.060 2.577 -5.599 1.00 0.00 H new ATOM 1147 N THR A 85 14.819 1.934 -3.094 1.00 0.00 N ATOM 1148 CA THR A 85 14.753 1.195 -1.845 1.00 0.00 C ATOM 1149 C THR A 85 14.812 -0.310 -2.113 1.00 0.00 C ATOM 1150 O THR A 85 15.672 -1.007 -1.577 1.00 0.00 O ATOM 1151 CB THR A 85 13.487 1.629 -1.104 1.00 0.00 C ATOM 1152 OG1 THR A 85 13.803 2.929 -0.613 1.00 0.00 O ATOM 1153 CG2 THR A 85 13.235 0.806 0.160 1.00 0.00 C ATOM 0 H THR A 85 15.673 2.477 -3.224 1.00 0.00 H new ATOM 0 HA THR A 85 15.611 1.416 -1.210 1.00 0.00 H new ATOM 0 HB THR A 85 12.629 1.541 -1.770 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.216 3.457 -1.328 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.325 1.156 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.123 -0.245 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.078 0.920 0.842 1.00 0.00 H new ATOM 1161 N VAL A 86 13.887 -0.768 -2.946 1.00 0.00 N ATOM 1162 CA VAL A 86 13.823 -2.178 -3.291 1.00 0.00 C ATOM 1163 C VAL A 86 13.315 -2.971 -2.087 1.00 0.00 C ATOM 1164 O VAL A 86 12.122 -2.952 -1.786 1.00 0.00 O ATOM 1165 CB VAL A 86 15.188 -2.657 -3.790 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.167 -4.156 -4.095 1.00 0.00 C ATOM 1167 CG2 VAL A 86 15.639 -1.855 -5.013 1.00 0.00 C ATOM 0 H VAL A 86 13.177 -0.187 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 86 13.118 -2.340 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 86 15.912 -2.488 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.150 -4.469 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.913 -4.708 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.423 -4.360 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.612 -2.216 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.912 -1.976 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.715 -0.800 -4.749 1.00 0.00 H new ATOM 1177 N ASP A 87 14.244 -3.653 -1.431 1.00 0.00 N ATOM 1178 CA ASP A 87 13.905 -4.450 -0.266 1.00 0.00 C ATOM 1179 C ASP A 87 13.279 -3.549 0.802 1.00 0.00 C ATOM 1180 O ASP A 87 13.988 -2.980 1.630 1.00 0.00 O ATOM 1181 CB ASP A 87 15.149 -5.103 0.338 1.00 0.00 C ATOM 1182 CG ASP A 87 14.993 -6.580 0.705 1.00 0.00 C ATOM 1183 OD1 ASP A 87 13.867 -7.092 0.525 1.00 0.00 O ATOM 1184 OD2 ASP A 87 16.001 -7.163 1.157 1.00 0.00 O ATOM 0 H ASP A 87 15.232 -3.669 -1.686 1.00 0.00 H new ATOM 0 HA ASP A 87 13.208 -5.226 -0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.972 -5.006 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.432 -4.550 1.234 1.00 0.00 H new ATOM 1190 N CYS A 88 11.960 -3.448 0.746 1.00 0.00 N ATOM 1191 CA CYS A 88 11.232 -2.625 1.696 1.00 0.00 C ATOM 1192 C CYS A 88 11.182 -3.366 3.033 1.00 0.00 C ATOM 1193 O CYS A 88 10.102 -3.668 3.540 1.00 0.00 O ATOM 1194 CB CYS A 88 9.832 -2.274 1.187 1.00 0.00 C ATOM 1195 SG CYS A 88 8.854 -1.205 2.303 1.00 0.00 S ATOM 0 H CYS A 88 11.376 -3.923 0.057 1.00 0.00 H new ATOM 0 HA CYS A 88 11.748 -1.674 1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.926 -1.777 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.280 -3.199 1.017 1.00 0.00 H new ATOM 1200 N THR A 89 12.364 -3.638 3.567 1.00 0.00 N ATOM 1201 CA THR A 89 12.468 -4.340 4.836 1.00 0.00 C ATOM 1202 C THR A 89 12.798 -3.359 5.962 1.00 0.00 C ATOM 1203 O THR A 89 12.640 -3.683 7.139 1.00 0.00 O ATOM 1204 CB THR A 89 13.507 -5.453 4.678 1.00 0.00 C ATOM 1205 OG1 THR A 89 14.731 -4.756 4.459 1.00 0.00 O ATOM 1206 CG2 THR A 89 13.306 -6.262 3.394 1.00 0.00 C ATOM 0 H THR A 89 13.257 -3.385 3.145 1.00 0.00 H new ATOM 0 HA THR A 89 11.518 -4.798 5.113 1.00 0.00 H new ATOM 0 HB THR A 89 13.460 -6.119 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.460 -5.402 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.068 -7.038 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.319 -6.723 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 89 13.388 -5.601 2.531 1.00 0.00 H new ATOM 1214 N THR A 90 13.245 -2.177 5.562 1.00 0.00 N ATOM 1215 CA THR A 90 13.596 -1.146 6.522 1.00 0.00 C ATOM 1216 C THR A 90 12.373 -0.287 6.855 1.00 0.00 C ATOM 1217 O THR A 90 12.011 -0.141 8.022 1.00 0.00 O ATOM 1218 CB THR A 90 14.765 -0.342 5.948 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.039 0.634 6.948 1.00 0.00 O ATOM 1220 CG2 THR A 90 14.363 0.481 4.724 1.00 0.00 C ATOM 0 H THR A 90 13.372 -1.911 4.585 1.00 0.00 H new ATOM 0 HA THR A 90 13.916 -1.581 7.469 1.00 0.00 H new ATOM 0 HB THR A 90 15.575 -1.020 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.786 1.199 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.228 1.032 4.356 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.997 -0.185 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.576 1.183 5.000 1.00 0.00 H new ATOM 1228 N ALA A 91 11.772 0.259 5.809 1.00 0.00 N ATOM 1229 CA ALA A 91 10.598 1.098 5.975 1.00 0.00 C ATOM 1230 C ALA A 91 9.339 0.234 5.878 1.00 0.00 C ATOM 1231 O ALA A 91 9.235 -0.618 4.996 1.00 0.00 O ATOM 1232 CB ALA A 91 10.619 2.216 4.930 1.00 0.00 C ATOM 0 H ALA A 91 12.076 0.137 4.843 1.00 0.00 H new ATOM 0 HA ALA A 91 10.599 1.569 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.738 2.846 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.518 2.819 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.616 1.780 3.931 1.00 0.00 H new ATOM 1238 N ALA A 92 8.417 0.482 6.796 1.00 0.00 N ATOM 1239 CA ALA A 92 7.169 -0.262 6.824 1.00 0.00 C ATOM 1240 C ALA A 92 6.288 0.183 5.657 1.00 0.00 C ATOM 1241 O ALA A 92 5.907 1.350 5.571 1.00 0.00 O ATOM 1242 CB ALA A 92 6.488 -0.064 8.179 1.00 0.00 C ATOM 0 H ALA A 92 8.509 1.188 7.526 1.00 0.00 H new ATOM 0 HA ALA A 92 7.355 -1.329 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.552 -0.622 8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.144 -0.424 8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.283 0.996 8.332 1.00 0.00 H new ATOM 1248 N CYS A 93 5.986 -0.770 4.786 1.00 0.00 N ATOM 1249 CA CYS A 93 5.154 -0.488 3.628 1.00 0.00 C ATOM 1250 C CYS A 93 3.695 -0.740 4.013 1.00 0.00 C ATOM 1251 O CYS A 93 3.338 -1.844 4.421 1.00 0.00 O ATOM 1252 CB CYS A 93 5.577 -1.322 2.415 1.00 0.00 C ATOM 1253 SG CYS A 93 7.195 -2.156 2.584 1.00 0.00 S ATOM 0 H CYS A 93 6.302 -1.737 4.859 1.00 0.00 H new ATOM 0 HA CYS A 93 5.275 0.554 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.813 -2.076 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.608 -0.674 1.539 1.00 0.00 H new ATOM 1258 N GLN A 94 2.890 0.302 3.867 1.00 0.00 N ATOM 1259 CA GLN A 94 1.477 0.208 4.193 1.00 0.00 C ATOM 1260 C GLN A 94 0.644 0.089 2.914 1.00 0.00 C ATOM 1261 O GLN A 94 0.705 0.960 2.047 1.00 0.00 O ATOM 1262 CB GLN A 94 1.027 1.406 5.032 1.00 0.00 C ATOM 1263 CG GLN A 94 0.577 2.562 4.138 1.00 0.00 C ATOM 1264 CD GLN A 94 0.188 3.782 4.976 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -0.976 4.099 5.157 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.225 4.449 5.474 1.00 0.00 N ATOM 0 H GLN A 94 3.189 1.216 3.527 1.00 0.00 H new ATOM 0 HA GLN A 94 1.320 -0.690 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.209 1.109 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.846 1.734 5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.380 2.829 3.451 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.272 2.248 3.530 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.175 4.130 5.284 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.070 5.280 6.046 1.00 0.00 H new ATOM 1275 N VAL A 95 -0.116 -0.992 2.840 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.960 -1.236 1.683 1.00 0.00 C ATOM 1277 C VAL A 95 -2.316 -0.559 1.896 1.00 0.00 C ATOM 1278 O VAL A 95 -3.072 -0.941 2.786 1.00 0.00 O ATOM 1279 CB VAL A 95 -1.077 -2.741 1.427 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.400 -3.024 -0.040 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.196 -3.470 1.859 1.00 0.00 C ATOM 0 H VAL A 95 -0.165 -1.710 3.563 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.515 -0.802 0.788 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.902 -3.121 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.478 -4.100 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.346 -2.551 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.607 -2.623 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.087 -4.537 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.045 -3.084 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.364 -3.309 2.924 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.580 0.436 1.060 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.832 1.171 1.145 1.00 0.00 C ATOM 1293 C GLY A 96 -4.073 1.990 -0.124 1.00 0.00 C ATOM 1294 O GLY A 96 -3.254 1.979 -1.040 1.00 0.00 O ATOM 0 H GLY A 96 -1.950 0.750 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.657 0.475 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.812 1.833 2.011 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.205 2.680 -0.139 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.565 3.505 -1.280 1.00 0.00 C ATOM 1300 C LEU A 97 -5.387 4.980 -0.915 1.00 0.00 C ATOM 1301 O LEU A 97 -5.941 5.446 0.079 1.00 0.00 O ATOM 1302 CB LEU A 97 -6.971 3.156 -1.769 1.00 0.00 C ATOM 1303 CG LEU A 97 -7.821 2.306 -0.821 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -8.392 3.155 0.316 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -8.915 1.559 -1.585 1.00 0.00 C ATOM 0 H LEU A 97 -5.885 2.684 0.621 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.901 3.304 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.505 4.085 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.883 2.628 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.176 1.554 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.991 2.526 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.575 3.599 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.017 3.946 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.504 0.963 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.564 2.277 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.458 0.904 -2.326 1.00 0.00 H new ATOM 1317 N SER A 98 -4.616 5.672 -1.740 1.00 0.00 N ATOM 1318 CA SER A 98 -4.359 7.085 -1.516 1.00 0.00 C ATOM 1319 C SER A 98 -5.484 7.924 -2.127 1.00 0.00 C ATOM 1320 O SER A 98 -6.146 7.490 -3.069 1.00 0.00 O ATOM 1321 CB SER A 98 -3.009 7.499 -2.104 1.00 0.00 C ATOM 1322 OG SER A 98 -2.982 7.367 -3.522 1.00 0.00 O ATOM 0 H SER A 98 -4.161 5.281 -2.565 1.00 0.00 H new ATOM 0 HA SER A 98 -4.326 7.261 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.797 8.533 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.220 6.886 -1.668 1.00 0.00 H new ATOM 0 HG SER A 98 -2.104 7.643 -3.860 1.00 0.00 H new ATOM 1328 N ASP A 99 -5.665 9.110 -1.565 1.00 0.00 N ATOM 1329 CA ASP A 99 -6.698 10.012 -2.043 1.00 0.00 C ATOM 1330 C ASP A 99 -6.127 10.890 -3.159 1.00 0.00 C ATOM 1331 O ASP A 99 -4.911 11.004 -3.301 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.189 10.933 -0.923 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.124 10.330 0.483 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -8.198 10.263 1.120 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -6.005 9.949 0.887 1.00 0.00 O ATOM 0 H ASP A 99 -5.114 9.467 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.530 9.408 -2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.596 11.847 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.220 11.218 -1.133 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.032 11.487 -3.921 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.633 12.351 -5.019 1.00 0.00 C ATOM 1343 C ALA A 100 -6.423 13.772 -4.495 1.00 0.00 C ATOM 1344 O ALA A 100 -6.338 14.718 -5.274 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.686 12.288 -6.128 1.00 0.00 C ATOM 0 H ALA A 100 -8.040 11.389 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.688 12.015 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.386 12.936 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.775 11.263 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.647 12.620 -5.736 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.343 13.876 -3.176 1.00 0.00 N ATOM 1352 CA ALA A 101 -6.144 15.165 -2.539 1.00 0.00 C ATOM 1353 C ALA A 101 -4.684 15.292 -2.097 1.00 0.00 C ATOM 1354 O ALA A 101 -3.862 15.854 -2.817 1.00 0.00 O ATOM 1355 CB ALA A 101 -7.121 15.314 -1.370 1.00 0.00 C ATOM 0 H ALA A 101 -6.413 13.088 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.348 15.974 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.971 16.282 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.144 15.246 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.944 14.520 -0.645 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.408 14.760 -0.916 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.062 14.806 -0.371 1.00 0.00 C ATOM 1363 C GLY A 102 -3.030 14.257 1.058 1.00 0.00 C ATOM 1364 O GLY A 102 -2.452 14.875 1.951 1.00 0.00 O ATOM 0 H GLY A 102 -5.093 14.295 -0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.390 14.225 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.698 15.833 -0.378 1.00 0.00 H new ATOM 1368 N ASN A 103 -3.660 13.105 1.230 1.00 0.00 N ATOM 1369 CA ASN A 103 -3.711 12.467 2.534 1.00 0.00 C ATOM 1370 C ASN A 103 -3.469 10.965 2.371 1.00 0.00 C ATOM 1371 O ASN A 103 -3.682 10.411 1.293 1.00 0.00 O ATOM 1372 CB ASN A 103 -5.080 12.658 3.187 1.00 0.00 C ATOM 1373 CG ASN A 103 -5.752 13.938 2.686 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -4.992 15.024 2.789 1.00 0.00 O flip ATOM 1375 ND2 ASN A 103 -6.887 13.940 2.239 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.140 12.596 0.487 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.946 12.922 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.715 11.800 2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.967 12.702 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.416 13.070 2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.307 14.812 1.916 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.029 10.347 3.457 1.00 0.00 N ATOM 1383 CA GLY A 104 -2.757 8.920 3.451 1.00 0.00 C ATOM 1384 C GLY A 104 -3.287 8.254 4.722 1.00 0.00 C ATOM 1385 O GLY A 104 -2.518 7.696 5.503 1.00 0.00 O ATOM 0 H GLY A 104 -2.854 10.810 4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.219 8.462 2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.683 8.751 3.369 1.00 0.00 H new ATOM 1389 N PRO A 105 -4.633 8.336 4.894 1.00 0.00 N ATOM 1390 CA PRO A 105 -5.278 7.747 6.056 1.00 0.00 C ATOM 1391 C PRO A 105 -5.350 6.224 5.930 1.00 0.00 C ATOM 1392 O PRO A 105 -5.188 5.507 6.916 1.00 0.00 O ATOM 1393 CB PRO A 105 -6.646 8.405 6.124 1.00 0.00 C ATOM 1394 CG PRO A 105 -6.898 8.988 4.743 1.00 0.00 C ATOM 1395 CD PRO A 105 -5.576 8.988 3.990 1.00 0.00 C ATOM 0 HA PRO A 105 -4.723 7.920 6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.416 7.680 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.667 9.184 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.642 8.397 4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.293 10.001 4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.658 8.448 3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.257 10.002 3.750 1.00 0.00 H new ATOM 1403 N GLU A 106 -5.598 5.775 4.709 1.00 0.00 N ATOM 1404 CA GLU A 106 -5.697 4.351 4.441 1.00 0.00 C ATOM 1405 C GLU A 106 -4.307 3.763 4.183 1.00 0.00 C ATOM 1406 O GLU A 106 -3.433 4.439 3.642 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.635 4.077 3.263 1.00 0.00 C ATOM 1408 CG GLU A 106 -7.587 2.923 3.578 1.00 0.00 C ATOM 1409 CD GLU A 106 -8.628 3.338 4.620 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -8.243 3.416 5.806 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -9.785 3.568 4.206 1.00 0.00 O ATOM 0 H GLU A 106 -5.733 6.373 3.894 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.120 3.864 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.209 4.975 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.050 3.838 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.089 2.602 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.019 2.069 3.947 1.00 0.00 H new ATOM 1419 N GLY A 107 -4.146 2.509 4.582 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.879 1.823 4.402 1.00 0.00 C ATOM 1421 C GLY A 107 -2.445 1.126 5.692 1.00 0.00 C ATOM 1422 O GLY A 107 -2.250 1.776 6.717 1.00 0.00 O ATOM 0 H GLY A 107 -4.873 1.951 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.969 1.090 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.115 2.537 4.096 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.303 -0.188 5.599 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.894 -0.979 6.746 1.00 0.00 C ATOM 1428 C VAL A 108 -0.440 -1.420 6.565 1.00 0.00 C ATOM 1429 O VAL A 108 -0.101 -2.070 5.578 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.854 -2.156 6.939 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.679 -3.195 5.828 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.671 -2.791 8.318 1.00 0.00 C ATOM 0 H VAL A 108 -2.464 -0.724 4.747 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.942 -0.382 7.657 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.872 -1.772 6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.373 -4.020 5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.883 -2.733 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.657 -3.573 5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.365 -3.624 8.430 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.648 -3.154 8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.870 -2.048 9.090 1.00 0.00 H new ATOM 1442 N ALA A 109 0.383 -1.045 7.536 1.00 0.00 N ATOM 1443 CA ALA A 109 1.794 -1.392 7.496 1.00 0.00 C ATOM 1444 C ALA A 109 1.940 -2.915 7.515 1.00 0.00 C ATOM 1445 O ALA A 109 2.056 -3.517 8.582 1.00 0.00 O ATOM 1446 CB ALA A 109 2.517 -0.721 8.664 1.00 0.00 C ATOM 0 H ALA A 109 0.099 -0.505 8.354 1.00 0.00 H new ATOM 0 HA ALA A 109 2.254 -1.029 6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.575 -0.981 8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.407 0.361 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.085 -1.064 9.604 1.00 0.00 H new ATOM 1452 N ILE A 110 1.931 -3.493 6.323 1.00 0.00 N ATOM 1453 CA ILE A 110 2.062 -4.934 6.191 1.00 0.00 C ATOM 1454 C ILE A 110 3.538 -5.294 6.015 1.00 0.00 C ATOM 1455 O ILE A 110 4.349 -4.445 5.644 1.00 0.00 O ATOM 1456 CB ILE A 110 1.164 -5.452 5.064 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.511 -6.781 5.451 1.00 0.00 C ATOM 1458 CG2 ILE A 110 1.941 -5.555 3.749 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.403 -6.609 6.665 1.00 0.00 C ATOM 0 H ILE A 110 1.835 -2.990 5.441 1.00 0.00 H new ATOM 0 HA ILE A 110 1.718 -5.432 7.097 1.00 0.00 H new ATOM 0 HB ILE A 110 0.360 -4.733 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.065 -7.166 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.282 -7.518 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.281 -5.925 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.318 -4.571 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.778 -6.242 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.854 -7.568 6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.181 -6.247 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.187 -5.889 6.431 1.00 0.00 H new ATOM 1471 N SER A 111 3.845 -6.554 6.290 1.00 0.00 N ATOM 1472 CA SER A 111 5.209 -7.035 6.166 1.00 0.00 C ATOM 1473 C SER A 111 5.401 -8.289 7.024 1.00 0.00 C ATOM 1474 O SER A 111 5.737 -9.353 6.508 1.00 0.00 O ATOM 1475 CB SER A 111 6.215 -5.956 6.573 1.00 0.00 C ATOM 1476 OG SER A 111 6.724 -5.249 5.444 1.00 0.00 O ATOM 0 H SER A 111 3.172 -7.255 6.598 1.00 0.00 H new ATOM 0 HA SER A 111 5.389 -7.285 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.737 -5.253 7.256 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.041 -6.416 7.116 1.00 0.00 H new ATOM 0 HG SER A 111 6.028 -4.658 5.087 1.00 0.00 H new