USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 9:sc= 0.307 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00454 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 146:sc= -2.46 (180deg=-4.37!) USER MOD Single : A 33 HIS : no HD1:sc= -1.68! C(o=-1.7!,f=-4.7!) USER MOD Single : A 42 TYR OH : rot 100:sc= -0.068 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot -21:sc= 0.429 USER MOD Single : A 51 THR OG1 : rot -23:sc= 0.273 USER MOD Single : A 58 ASN : amide:sc= -7.59! C(o=-7.6!,f=-4.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.125 (180deg=-0.631) USER MOD Single : A 70 THR OG1 : rot 35:sc= 0.0199 USER MOD Single : A 74 THR OG1 : rot -40:sc= 0.237 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -175:sc= -2.45 (180deg=-2.54) USER MOD Single : A 86 ASN : amide:sc= -0.668 K(o=-0.67,f=-1.4) USER MOD Single : A 91 SER OG : rot 83:sc= 0.78 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.842 -2.578 -0.097 1.00 0.00 N ATOM 60 CA GLY A 7 -20.574 -1.675 0.772 1.00 0.00 C ATOM 61 C GLY A 7 -19.779 -0.432 1.118 1.00 0.00 C ATOM 62 O GLY A 7 -20.264 0.689 0.958 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.505 -1.383 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.843 -2.198 1.690 1.00 0.00 H new ATOM 66 N THR A 8 -18.554 -0.628 1.595 1.00 0.00 N ATOM 67 CA THR A 8 -17.691 0.486 1.967 1.00 0.00 C ATOM 68 C THR A 8 -16.885 0.981 0.772 1.00 0.00 C ATOM 69 O THR A 8 -16.733 0.271 -0.223 1.00 0.00 O ATOM 70 CB THR A 8 -16.722 0.092 3.098 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.419 -0.652 4.104 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.088 1.327 3.721 1.00 0.00 C ATOM 0 H THR A 8 -18.137 -1.549 1.733 1.00 0.00 H new ATOM 0 HA THR A 8 -18.342 1.286 2.318 1.00 0.00 H new ATOM 0 HB THR A 8 -15.933 -0.527 2.671 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.796 -0.900 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.408 1.024 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.534 1.875 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 8 -16.868 1.967 4.134 1.00 0.00 H new ATOM 80 N SER A 9 -16.370 2.202 0.876 1.00 0.00 N ATOM 81 CA SER A 9 -15.582 2.792 -0.199 1.00 0.00 C ATOM 82 C SER A 9 -14.107 2.429 -0.055 1.00 0.00 C ATOM 83 O SER A 9 -13.596 2.229 1.047 1.00 0.00 O ATOM 84 CB SER A 9 -15.746 4.314 -0.204 1.00 0.00 C ATOM 85 OG SER A 9 -16.847 4.705 -1.004 1.00 0.00 O ATOM 0 H SER A 9 -16.484 2.801 1.693 1.00 0.00 H new ATOM 0 HA SER A 9 -15.946 2.391 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.889 4.671 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.835 4.780 -0.580 1.00 0.00 H new ATOM 0 HG SER A 9 -16.932 5.681 -0.989 1.00 0.00 H new ATOM 91 N PRO A 10 -13.406 2.340 -1.194 1.00 0.00 N ATOM 92 CA PRO A 10 -11.980 2.001 -1.222 1.00 0.00 C ATOM 93 C PRO A 10 -11.108 3.116 -0.658 1.00 0.00 C ATOM 94 O PRO A 10 -11.561 4.238 -0.432 1.00 0.00 O ATOM 95 CB PRO A 10 -11.693 1.799 -2.712 1.00 0.00 C ATOM 96 CG PRO A 10 -12.723 2.617 -3.411 1.00 0.00 C ATOM 97 CD PRO A 10 -13.951 2.565 -2.544 1.00 0.00 C ATOM 0 HA PRO A 10 -11.756 1.128 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.686 2.127 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.767 0.748 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.382 3.644 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.929 2.219 -4.404 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.521 3.493 -2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.622 1.761 -2.846 1.00 0.00 H new ATOM 105 N PRO A 11 -9.824 2.804 -0.423 1.00 0.00 N ATOM 106 CA PRO A 11 -8.861 3.768 0.118 1.00 0.00 C ATOM 107 C PRO A 11 -8.513 4.864 -0.884 1.00 0.00 C ATOM 108 O PRO A 11 -8.237 4.587 -2.052 1.00 0.00 O ATOM 109 CB PRO A 11 -7.631 2.908 0.419 1.00 0.00 C ATOM 110 CG PRO A 11 -7.743 1.748 -0.509 1.00 0.00 C ATOM 111 CD PRO A 11 -9.215 1.486 -0.668 1.00 0.00 C ATOM 0 HA PRO A 11 -9.254 4.293 0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.709 3.463 0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.620 2.583 1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.280 1.971 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.232 0.874 -0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.451 1.113 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.570 0.741 0.044 1.00 0.00 H new ATOM 119 N THR A 12 -8.528 6.109 -0.420 1.00 0.00 N ATOM 120 CA THR A 12 -8.215 7.247 -1.276 1.00 0.00 C ATOM 121 C THR A 12 -7.044 8.048 -0.718 1.00 0.00 C ATOM 122 O THR A 12 -6.556 7.773 0.379 1.00 0.00 O ATOM 123 CB THR A 12 -9.430 8.180 -1.437 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.806 8.719 -0.164 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.608 7.434 -2.045 1.00 0.00 C ATOM 0 H THR A 12 -8.753 6.355 0.544 1.00 0.00 H new ATOM 0 HA THR A 12 -7.944 6.844 -2.252 1.00 0.00 H new ATOM 0 HB THR A 12 -9.150 8.993 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.578 9.312 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.454 8.113 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.328 7.050 -3.026 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.887 6.604 -1.396 1.00 0.00 H new ATOM 133 N LEU A 13 -6.598 9.042 -1.479 1.00 0.00 N ATOM 134 CA LEU A 13 -5.483 9.884 -1.060 1.00 0.00 C ATOM 135 C LEU A 13 -4.262 9.039 -0.713 1.00 0.00 C ATOM 136 O LEU A 13 -3.656 9.209 0.346 1.00 0.00 O ATOM 137 CB LEU A 13 -5.887 10.736 0.145 1.00 0.00 C ATOM 138 CG LEU A 13 -6.952 11.803 -0.114 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.740 12.089 1.155 1.00 0.00 C ATOM 140 CD2 LEU A 13 -6.312 13.077 -0.645 1.00 0.00 C ATOM 0 H LEU A 13 -6.991 9.284 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.223 10.540 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.250 10.072 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.995 11.228 0.532 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.642 11.425 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.493 12.850 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.229 11.176 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.063 12.446 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.084 13.825 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.600 13.458 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.793 12.861 -1.579 1.00 0.00 H new ATOM 152 N LEU A 14 -3.903 8.130 -1.613 1.00 0.00 N ATOM 153 CA LEU A 14 -2.751 7.260 -1.404 1.00 0.00 C ATOM 154 C LEU A 14 -1.456 7.970 -1.784 1.00 0.00 C ATOM 155 O LEU A 14 -1.318 8.483 -2.895 1.00 0.00 O ATOM 156 CB LEU A 14 -2.902 5.977 -2.223 1.00 0.00 C ATOM 157 CG LEU A 14 -1.836 4.905 -1.994 1.00 0.00 C ATOM 158 CD1 LEU A 14 -0.599 5.194 -2.830 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.476 4.818 -0.518 1.00 0.00 C ATOM 0 H LEU A 14 -4.393 7.976 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.706 7.005 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.878 5.543 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.901 6.242 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.243 3.943 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.148 4.420 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.868 5.205 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.189 6.165 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.716 4.050 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.089 5.780 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.365 4.562 0.059 1.00 0.00 H new ATOM 171 N THR A 15 -0.506 7.994 -0.854 1.00 0.00 N ATOM 172 CA THR A 15 0.779 8.639 -1.091 1.00 0.00 C ATOM 173 C THR A 15 1.890 7.960 -0.298 1.00 0.00 C ATOM 174 O THR A 15 1.635 7.305 0.713 1.00 0.00 O ATOM 175 CB THR A 15 0.735 10.132 -0.715 1.00 0.00 C ATOM 176 OG1 THR A 15 0.028 10.869 -1.718 1.00 0.00 O ATOM 177 CG2 THR A 15 2.141 10.694 -0.563 1.00 0.00 C ATOM 0 H THR A 15 -0.603 7.574 0.070 1.00 0.00 H new ATOM 0 HA THR A 15 0.988 8.546 -2.157 1.00 0.00 H new ATOM 0 HB THR A 15 0.217 10.228 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.395 10.246 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.084 11.750 -0.297 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.667 10.150 0.221 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.680 10.585 -1.504 1.00 0.00 H new ATOM 185 N VAL A 16 3.125 8.119 -0.763 1.00 0.00 N ATOM 186 CA VAL A 16 4.276 7.523 -0.096 1.00 0.00 C ATOM 187 C VAL A 16 4.726 8.371 1.088 1.00 0.00 C ATOM 188 O VAL A 16 5.278 9.458 0.912 1.00 0.00 O ATOM 189 CB VAL A 16 5.459 7.347 -1.067 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.528 6.457 -0.452 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.979 6.778 -2.394 1.00 0.00 C ATOM 0 H VAL A 16 3.354 8.656 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 16 3.961 6.543 0.262 1.00 0.00 H new ATOM 0 HB VAL A 16 5.900 8.326 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.355 6.345 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.892 6.910 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.103 5.478 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.828 6.660 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.512 5.808 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.253 7.458 -2.840 1.00 0.00 H new ATOM 201 N ASP A 17 4.488 7.868 2.294 1.00 0.00 N ATOM 202 CA ASP A 17 4.871 8.579 3.508 1.00 0.00 C ATOM 203 C ASP A 17 6.369 8.866 3.521 1.00 0.00 C ATOM 204 O ASP A 17 6.793 9.991 3.785 1.00 0.00 O ATOM 205 CB ASP A 17 4.485 7.765 4.744 1.00 0.00 C ATOM 206 CG ASP A 17 4.479 8.600 6.009 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.456 9.345 6.233 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.497 8.510 6.775 1.00 0.00 O ATOM 0 H ASP A 17 4.032 6.971 2.457 1.00 0.00 H new ATOM 0 HA ASP A 17 4.337 9.529 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.497 7.330 4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.183 6.937 4.862 1.00 0.00 H new ATOM 213 N SER A 18 7.166 7.841 3.234 1.00 0.00 N ATOM 214 CA SER A 18 8.617 7.982 3.217 1.00 0.00 C ATOM 215 C SER A 18 9.258 6.900 2.355 1.00 0.00 C ATOM 216 O SER A 18 8.579 5.999 1.862 1.00 0.00 O ATOM 217 CB SER A 18 9.174 7.913 4.640 1.00 0.00 C ATOM 218 OG SER A 18 10.478 8.464 4.705 1.00 0.00 O ATOM 0 H SER A 18 6.831 6.904 3.010 1.00 0.00 H new ATOM 0 HA SER A 18 8.858 8.954 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.514 8.453 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.197 6.876 4.975 1.00 0.00 H new ATOM 0 HG SER A 18 10.811 8.409 5.625 1.00 0.00 H new ATOM 224 N VAL A 19 10.572 6.995 2.176 1.00 0.00 N ATOM 225 CA VAL A 19 11.307 6.024 1.374 1.00 0.00 C ATOM 226 C VAL A 19 12.744 5.883 1.863 1.00 0.00 C ATOM 227 O VAL A 19 13.437 6.876 2.085 1.00 0.00 O ATOM 228 CB VAL A 19 11.319 6.420 -0.115 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.208 5.477 -0.911 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.904 6.431 -0.674 1.00 0.00 C ATOM 0 H VAL A 19 11.149 7.735 2.576 1.00 0.00 H new ATOM 0 HA VAL A 19 10.794 5.069 1.484 1.00 0.00 H new ATOM 0 HB VAL A 19 11.728 7.427 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.204 5.772 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.226 5.524 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.832 4.458 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.931 6.713 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.466 5.438 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.300 7.150 -0.121 1.00 0.00 H new ATOM 240 N THR A 20 13.187 4.641 2.028 1.00 0.00 N ATOM 241 CA THR A 20 14.542 4.368 2.492 1.00 0.00 C ATOM 242 C THR A 20 15.148 3.181 1.752 1.00 0.00 C ATOM 243 O THR A 20 14.515 2.133 1.617 1.00 0.00 O ATOM 244 CB THR A 20 14.572 4.085 4.005 1.00 0.00 C ATOM 245 OG1 THR A 20 13.673 4.967 4.687 1.00 0.00 O ATOM 246 CG2 THR A 20 15.977 4.257 4.561 1.00 0.00 C ATOM 0 H THR A 20 12.627 3.808 1.847 1.00 0.00 H new ATOM 0 HA THR A 20 15.132 5.261 2.286 1.00 0.00 H new ATOM 0 HB THR A 20 14.259 3.053 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.697 4.779 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.972 4.052 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.653 3.563 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.314 5.279 4.389 1.00 0.00 H new ATOM 254 N ASP A 21 16.376 3.351 1.275 1.00 0.00 N ATOM 255 CA ASP A 21 17.068 2.292 0.550 1.00 0.00 C ATOM 256 C ASP A 21 16.800 0.932 1.187 1.00 0.00 C ATOM 257 O ASP A 21 16.870 -0.102 0.522 1.00 0.00 O ATOM 258 CB ASP A 21 18.572 2.566 0.517 1.00 0.00 C ATOM 259 CG ASP A 21 19.124 2.930 1.882 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.361 2.862 2.867 1.00 0.00 O ATOM 261 OD2 ASP A 21 20.319 3.283 1.964 1.00 0.00 O ATOM 0 H ASP A 21 16.913 4.212 1.377 1.00 0.00 H new ATOM 0 HA ASP A 21 16.687 2.276 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.091 1.684 0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.775 3.377 -0.182 1.00 0.00 H new ATOM 266 N THR A 22 16.494 0.941 2.481 1.00 0.00 N ATOM 267 CA THR A 22 16.217 -0.291 3.209 1.00 0.00 C ATOM 268 C THR A 22 14.771 -0.732 3.015 1.00 0.00 C ATOM 269 O THR A 22 14.502 -1.889 2.687 1.00 0.00 O ATOM 270 CB THR A 22 16.495 -0.128 4.715 1.00 0.00 C ATOM 271 OG1 THR A 22 15.669 0.910 5.255 1.00 0.00 O ATOM 272 CG2 THR A 22 17.959 0.201 4.963 1.00 0.00 C ATOM 0 H THR A 22 16.432 1.788 3.046 1.00 0.00 H new ATOM 0 HA THR A 22 16.883 -1.053 2.805 1.00 0.00 H new ATOM 0 HB THR A 22 16.263 -1.071 5.209 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.850 1.007 6.213 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.131 0.311 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.583 -0.604 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.213 1.132 4.457 1.00 0.00 H new ATOM 280 N THR A 23 13.842 0.197 3.218 1.00 0.00 N ATOM 281 CA THR A 23 12.422 -0.096 3.065 1.00 0.00 C ATOM 282 C THR A 23 11.643 1.152 2.669 1.00 0.00 C ATOM 283 O THR A 23 12.171 2.264 2.705 1.00 0.00 O ATOM 284 CB THR A 23 11.825 -0.671 4.364 1.00 0.00 C ATOM 285 OG1 THR A 23 11.807 0.336 5.382 1.00 0.00 O ATOM 286 CG2 THR A 23 12.627 -1.871 4.844 1.00 0.00 C ATOM 0 H THR A 23 14.047 1.159 3.489 1.00 0.00 H new ATOM 0 HA THR A 23 12.335 -0.840 2.273 1.00 0.00 H new ATOM 0 HB THR A 23 10.805 -0.996 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.425 -0.036 6.204 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.186 -2.259 5.762 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.614 -2.647 4.079 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.656 -1.568 5.036 1.00 0.00 H new ATOM 294 N VAL A 24 10.382 0.962 2.292 1.00 0.00 N ATOM 295 CA VAL A 24 9.528 2.074 1.891 1.00 0.00 C ATOM 296 C VAL A 24 8.304 2.181 2.794 1.00 0.00 C ATOM 297 O VAL A 24 7.836 1.184 3.344 1.00 0.00 O ATOM 298 CB VAL A 24 9.064 1.926 0.430 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.259 1.906 -0.511 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.223 0.670 0.263 1.00 0.00 C ATOM 0 H VAL A 24 9.930 0.049 2.256 1.00 0.00 H new ATOM 0 HA VAL A 24 10.125 2.981 1.985 1.00 0.00 H new ATOM 0 HB VAL A 24 8.446 2.787 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.911 1.801 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.817 2.837 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.906 1.066 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.904 0.581 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.815 -0.203 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.347 0.731 0.908 1.00 0.00 H new ATOM 310 N THR A 25 7.789 3.397 2.941 1.00 0.00 N ATOM 311 CA THR A 25 6.619 3.635 3.777 1.00 0.00 C ATOM 312 C THR A 25 5.464 4.201 2.959 1.00 0.00 C ATOM 313 O THR A 25 5.609 5.221 2.286 1.00 0.00 O ATOM 314 CB THR A 25 6.940 4.605 4.930 1.00 0.00 C ATOM 315 OG1 THR A 25 8.241 4.324 5.459 1.00 0.00 O ATOM 316 CG2 THR A 25 5.903 4.494 6.036 1.00 0.00 C ATOM 0 H THR A 25 8.164 4.233 2.492 1.00 0.00 H new ATOM 0 HA THR A 25 6.327 2.671 4.193 1.00 0.00 H new ATOM 0 HB THR A 25 6.920 5.621 4.536 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.438 4.946 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.151 5.188 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.918 4.737 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.895 3.476 6.426 1.00 0.00 H new ATOM 324 N MET A 26 4.317 3.533 3.022 1.00 0.00 N ATOM 325 CA MET A 26 3.136 3.971 2.288 1.00 0.00 C ATOM 326 C MET A 26 1.957 4.186 3.232 1.00 0.00 C ATOM 327 O MET A 26 1.690 3.359 4.104 1.00 0.00 O ATOM 328 CB MET A 26 2.766 2.945 1.216 1.00 0.00 C ATOM 329 CG MET A 26 3.861 2.718 0.187 1.00 0.00 C ATOM 330 SD MET A 26 4.137 4.159 -0.862 1.00 0.00 S ATOM 331 CE MET A 26 2.646 4.146 -1.854 1.00 0.00 C ATOM 0 H MET A 26 4.180 2.686 3.574 1.00 0.00 H new ATOM 0 HA MET A 26 3.370 4.920 1.806 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.530 1.997 1.699 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.862 3.276 0.705 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.789 2.463 0.699 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.597 1.864 -0.437 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.351 5.171 -2.081 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.832 3.608 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.846 3.652 -1.302 1.00 0.00 H new ATOM 341 N ARG A 27 1.256 5.301 3.052 1.00 0.00 N ATOM 342 CA ARG A 27 0.107 5.624 3.889 1.00 0.00 C ATOM 343 C ARG A 27 -1.124 5.910 3.035 1.00 0.00 C ATOM 344 O ARG A 27 -1.012 6.195 1.843 1.00 0.00 O ATOM 345 CB ARG A 27 0.418 6.831 4.776 1.00 0.00 C ATOM 346 CG ARG A 27 0.701 8.104 3.994 1.00 0.00 C ATOM 347 CD ARG A 27 0.707 9.325 4.900 1.00 0.00 C ATOM 348 NE ARG A 27 1.014 10.550 4.167 1.00 0.00 N ATOM 349 CZ ARG A 27 1.476 11.654 4.742 1.00 0.00 C ATOM 350 NH1 ARG A 27 1.684 11.687 6.051 1.00 0.00 N ATOM 351 NH2 ARG A 27 1.732 12.729 4.007 1.00 0.00 N ATOM 0 H ARG A 27 1.464 5.995 2.334 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.104 4.762 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.424 7.006 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.280 6.599 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.665 8.017 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.053 8.230 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.266 9.425 5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.441 9.184 5.693 1.00 0.00 H new ATOM 0 HE ARG A 27 0.865 10.558 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.489 10.863 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.039 12.537 6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.574 12.707 3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.087 13.577 4.450 1.00 0.00 H new ATOM 365 N TRP A 28 -2.297 5.832 3.653 1.00 0.00 N ATOM 366 CA TRP A 28 -3.550 6.082 2.949 1.00 0.00 C ATOM 367 C TRP A 28 -4.565 6.756 3.866 1.00 0.00 C ATOM 368 O TRP A 28 -4.299 6.972 5.049 1.00 0.00 O ATOM 369 CB TRP A 28 -4.124 4.772 2.407 1.00 0.00 C ATOM 370 CG TRP A 28 -4.236 3.698 3.445 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.289 3.475 4.285 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.256 2.701 3.755 1.00 0.00 C ATOM 373 NE1 TRP A 28 -5.024 2.400 5.098 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.783 1.907 4.793 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.986 2.400 3.256 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.083 0.834 5.338 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.292 1.335 3.799 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.841 0.563 4.831 1.00 0.00 C ATOM 0 H TRP A 28 -2.407 5.598 4.640 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.342 6.752 2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.110 4.963 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.492 4.416 1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.198 4.059 4.307 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.650 2.029 5.813 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.554 2.989 2.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.505 0.237 6.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.309 1.094 3.421 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.273 -0.262 5.234 1.00 0.00 H new ATOM 389 N ARG A 29 -5.728 7.084 3.314 1.00 0.00 N ATOM 390 CA ARG A 29 -6.782 7.734 4.084 1.00 0.00 C ATOM 391 C ARG A 29 -8.030 6.857 4.145 1.00 0.00 C ATOM 392 O ARG A 29 -8.306 6.064 3.245 1.00 0.00 O ATOM 393 CB ARG A 29 -7.129 9.091 3.469 1.00 0.00 C ATOM 394 CG ARG A 29 -6.203 10.214 3.908 1.00 0.00 C ATOM 395 CD ARG A 29 -6.724 10.909 5.156 1.00 0.00 C ATOM 396 NE ARG A 29 -8.043 11.500 4.943 1.00 0.00 N ATOM 397 CZ ARG A 29 -8.691 12.203 5.865 1.00 0.00 C ATOM 398 NH1 ARG A 29 -8.144 12.402 7.057 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.887 12.709 5.596 1.00 0.00 N ATOM 0 H ARG A 29 -5.965 6.911 2.337 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.415 7.886 5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.095 9.007 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.153 9.350 3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.209 9.812 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.102 10.940 3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.776 10.192 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.023 11.687 5.457 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.491 11.365 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.224 12.015 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.643 12.942 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.310 12.558 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.384 13.249 6.305 1.00 0.00 H new ATOM 413 N PRO A 30 -8.802 7.002 5.232 1.00 0.00 N ATOM 414 CA PRO A 30 -10.032 6.232 5.438 1.00 0.00 C ATOM 415 C PRO A 30 -11.141 6.644 4.475 1.00 0.00 C ATOM 416 O PRO A 30 -11.191 7.777 3.996 1.00 0.00 O ATOM 417 CB PRO A 30 -10.424 6.566 6.879 1.00 0.00 C ATOM 418 CG PRO A 30 -9.810 7.899 7.139 1.00 0.00 C ATOM 419 CD PRO A 30 -8.534 7.928 6.345 1.00 0.00 C ATOM 0 HA PRO A 30 -9.881 5.167 5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.507 6.599 6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.050 5.815 7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.479 8.703 6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.612 8.037 8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.307 8.932 5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.682 7.603 6.942 1.00 0.00 H new ATOM 427 N PRO A 31 -12.053 5.704 4.184 1.00 0.00 N ATOM 428 CA PRO A 31 -13.178 5.947 3.277 1.00 0.00 C ATOM 429 C PRO A 31 -14.208 6.900 3.873 1.00 0.00 C ATOM 430 O PRO A 31 -14.539 6.811 5.056 1.00 0.00 O ATOM 431 CB PRO A 31 -13.786 4.555 3.086 1.00 0.00 C ATOM 432 CG PRO A 31 -13.402 3.802 4.312 1.00 0.00 C ATOM 433 CD PRO A 31 -12.055 4.332 4.719 1.00 0.00 C ATOM 0 HA PRO A 31 -12.858 6.419 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.869 4.608 2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.398 4.074 2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.135 3.948 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.356 2.731 4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.930 4.323 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.245 3.736 4.299 1.00 0.00 H new ATOM 441 N ASP A 32 -14.711 7.811 3.048 1.00 0.00 N ATOM 442 CA ASP A 32 -15.705 8.781 3.494 1.00 0.00 C ATOM 443 C ASP A 32 -16.887 8.081 4.159 1.00 0.00 C ATOM 444 O ASP A 32 -17.396 8.538 5.183 1.00 0.00 O ATOM 445 CB ASP A 32 -16.193 9.623 2.314 1.00 0.00 C ATOM 446 CG ASP A 32 -17.337 10.543 2.692 1.00 0.00 C ATOM 447 OD1 ASP A 32 -17.385 10.979 3.862 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.182 10.828 1.819 1.00 0.00 O ATOM 0 H ASP A 32 -14.447 7.899 2.067 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.234 9.436 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.365 10.218 1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.513 8.963 1.508 1.00 0.00 H new ATOM 453 N HIS A 33 -17.318 6.971 3.569 1.00 0.00 N ATOM 454 CA HIS A 33 -18.441 6.208 4.104 1.00 0.00 C ATOM 455 C HIS A 33 -17.974 4.859 4.641 1.00 0.00 C ATOM 456 O HIS A 33 -16.921 4.354 4.249 1.00 0.00 O ATOM 457 CB HIS A 33 -19.504 6.001 3.025 1.00 0.00 C ATOM 458 CG HIS A 33 -20.810 5.500 3.560 1.00 0.00 C ATOM 459 ND1 HIS A 33 -20.990 4.215 4.028 1.00 0.00 N ATOM 460 CD2 HIS A 33 -22.005 6.121 3.702 1.00 0.00 C ATOM 461 CE1 HIS A 33 -22.238 4.067 4.433 1.00 0.00 C ATOM 462 NE2 HIS A 33 -22.876 5.208 4.246 1.00 0.00 N ATOM 0 H HIS A 33 -16.908 6.580 2.721 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.876 6.776 4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -19.671 6.945 2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.128 5.293 2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -22.231 7.143 3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.665 3.165 4.847 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -23.856 5.383 4.469 1.00 0.00 H new ATOM 471 N ILE A 34 -18.762 4.281 5.542 1.00 0.00 N ATOM 472 CA ILE A 34 -18.429 2.991 6.132 1.00 0.00 C ATOM 473 C ILE A 34 -19.571 1.995 5.958 1.00 0.00 C ATOM 474 O ILE A 34 -20.504 1.958 6.759 1.00 0.00 O ATOM 475 CB ILE A 34 -18.103 3.124 7.631 1.00 0.00 C ATOM 476 CG1 ILE A 34 -17.062 4.223 7.853 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.607 1.798 8.186 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.706 3.899 7.266 1.00 0.00 C ATOM 0 H ILE A 34 -19.635 4.686 5.879 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.547 2.624 5.608 1.00 0.00 H new ATOM 0 HB ILE A 34 -19.014 3.399 8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.427 5.152 7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.953 4.398 8.923 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.381 1.909 9.247 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.378 1.038 8.057 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.706 1.495 7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.019 4.722 7.461 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.320 2.988 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.801 3.753 6.190 1.00 0.00 H new ATOM 517 N GLY A 38 -18.954 -2.833 7.827 1.00 0.00 N ATOM 518 CA GLY A 38 -17.914 -2.224 8.636 1.00 0.00 C ATOM 519 C GLY A 38 -16.525 -2.498 8.096 1.00 0.00 C ATOM 520 O GLY A 38 -16.150 -3.652 7.882 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.077 -1.147 8.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.985 -2.600 9.657 1.00 0.00 H new ATOM 524 N LEU A 39 -15.759 -1.436 7.872 1.00 0.00 N ATOM 525 CA LEU A 39 -14.402 -1.568 7.351 1.00 0.00 C ATOM 526 C LEU A 39 -13.442 -2.025 8.443 1.00 0.00 C ATOM 527 O LEU A 39 -13.334 -1.393 9.494 1.00 0.00 O ATOM 528 CB LEU A 39 -13.929 -0.236 6.764 1.00 0.00 C ATOM 529 CG LEU A 39 -12.427 -0.113 6.505 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.077 -0.659 5.129 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.980 1.335 6.636 1.00 0.00 C ATOM 0 H LEU A 39 -16.054 -0.475 8.043 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.412 -2.322 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.455 -0.069 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.227 0.564 7.442 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.899 -0.704 7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.004 -0.563 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.361 -1.710 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.615 -0.096 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.908 1.403 6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.515 1.948 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.196 1.693 7.643 1.00 0.00 H new ATOM 543 N ASP A 40 -12.744 -3.127 8.187 1.00 0.00 N ATOM 544 CA ASP A 40 -11.789 -3.668 9.147 1.00 0.00 C ATOM 545 C ASP A 40 -10.361 -3.530 8.630 1.00 0.00 C ATOM 546 O ASP A 40 -9.879 -4.375 7.876 1.00 0.00 O ATOM 547 CB ASP A 40 -12.101 -5.137 9.437 1.00 0.00 C ATOM 548 CG ASP A 40 -13.581 -5.448 9.323 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.397 -4.514 9.471 1.00 0.00 O ATOM 550 OD2 ASP A 40 -13.922 -6.625 9.085 1.00 0.00 O ATOM 0 H ASP A 40 -12.822 -3.663 7.323 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.878 -3.097 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.546 -5.767 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.756 -5.387 10.440 1.00 0.00 H new ATOM 555 N GLY A 41 -9.689 -2.459 9.039 1.00 0.00 N ATOM 556 CA GLY A 41 -8.323 -2.230 8.606 1.00 0.00 C ATOM 557 C GLY A 41 -8.201 -2.136 7.098 1.00 0.00 C ATOM 558 O GLY A 41 -9.098 -1.626 6.426 1.00 0.00 O ATOM 0 H GLY A 41 -10.066 -1.745 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.952 -1.309 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.690 -3.039 8.969 1.00 0.00 H new ATOM 562 N TYR A 42 -7.088 -2.627 6.564 1.00 0.00 N ATOM 563 CA TYR A 42 -6.850 -2.592 5.126 1.00 0.00 C ATOM 564 C TYR A 42 -5.854 -3.671 4.712 1.00 0.00 C ATOM 565 O TYR A 42 -5.429 -4.487 5.530 1.00 0.00 O ATOM 566 CB TYR A 42 -6.332 -1.216 4.706 1.00 0.00 C ATOM 567 CG TYR A 42 -7.103 -0.067 5.316 1.00 0.00 C ATOM 568 CD1 TYR A 42 -6.973 0.245 6.664 1.00 0.00 C ATOM 569 CD2 TYR A 42 -7.964 0.705 4.545 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.676 1.294 7.225 1.00 0.00 C ATOM 571 CE2 TYR A 42 -8.669 1.756 5.098 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.522 2.046 6.438 1.00 0.00 C ATOM 573 OH TYR A 42 -9.225 3.091 6.993 1.00 0.00 O ATOM 0 H TYR A 42 -6.336 -3.054 7.106 1.00 0.00 H new ATOM 0 HA TYR A 42 -7.797 -2.785 4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.283 -1.130 4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.376 -1.136 3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.311 -0.342 7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.084 0.479 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.563 1.524 8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.332 2.348 4.484 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.773 3.936 6.787 1.00 0.00 H new ATOM 583 N VAL A 43 -5.484 -3.667 3.435 1.00 0.00 N ATOM 584 CA VAL A 43 -4.535 -4.643 2.912 1.00 0.00 C ATOM 585 C VAL A 43 -3.577 -3.999 1.916 1.00 0.00 C ATOM 586 O VAL A 43 -3.990 -3.224 1.053 1.00 0.00 O ATOM 587 CB VAL A 43 -5.259 -5.816 2.224 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.254 -6.800 1.646 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.195 -6.511 3.203 1.00 0.00 C ATOM 0 H VAL A 43 -5.827 -2.999 2.744 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.970 -5.022 3.763 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.856 -5.420 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.785 -7.621 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.628 -6.292 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.628 -7.193 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.699 -7.337 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.620 -6.895 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.937 -5.799 3.564 1.00 0.00 H new ATOM 599 N LEU A 44 -2.295 -4.324 2.042 1.00 0.00 N ATOM 600 CA LEU A 44 -1.276 -3.778 1.153 1.00 0.00 C ATOM 601 C LEU A 44 -0.730 -4.856 0.223 1.00 0.00 C ATOM 602 O LEU A 44 -0.757 -6.042 0.549 1.00 0.00 O ATOM 603 CB LEU A 44 -0.135 -3.166 1.968 1.00 0.00 C ATOM 604 CG LEU A 44 0.871 -2.322 1.186 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.432 -0.866 1.148 1.00 0.00 C ATOM 606 CD2 LEU A 44 2.260 -2.447 1.795 1.00 0.00 C ATOM 0 H LEU A 44 -1.937 -4.963 2.752 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.738 -3.000 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.568 -2.545 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.405 -3.973 2.462 1.00 0.00 H new ATOM 0 HG LEU A 44 0.910 -2.695 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.161 -0.281 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.542 -0.792 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.363 -0.480 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.963 -1.839 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.237 -2.102 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.577 -3.490 1.768 1.00 0.00 H new ATOM 618 N GLU A 45 -0.234 -4.435 -0.936 1.00 0.00 N ATOM 619 CA GLU A 45 0.319 -5.365 -1.913 1.00 0.00 C ATOM 620 C GLU A 45 1.294 -4.656 -2.849 1.00 0.00 C ATOM 621 O GLU A 45 1.078 -3.506 -3.233 1.00 0.00 O ATOM 622 CB GLU A 45 -0.804 -6.014 -2.725 1.00 0.00 C ATOM 623 CG GLU A 45 -1.759 -6.846 -1.886 1.00 0.00 C ATOM 624 CD GLU A 45 -2.712 -7.669 -2.731 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.236 -8.366 -3.653 1.00 0.00 O ATOM 626 OE2 GLU A 45 -3.932 -7.618 -2.472 1.00 0.00 O ATOM 0 H GLU A 45 -0.204 -3.456 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 45 0.861 -6.140 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.368 -5.234 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.364 -6.647 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.185 -7.511 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.333 -6.187 -1.235 1.00 0.00 H new ATOM 633 N TYR A 46 2.367 -5.349 -3.211 1.00 0.00 N ATOM 634 CA TYR A 46 3.377 -4.786 -4.099 1.00 0.00 C ATOM 635 C TYR A 46 3.906 -5.843 -5.064 1.00 0.00 C ATOM 636 O TYR A 46 4.185 -6.976 -4.668 1.00 0.00 O ATOM 637 CB TYR A 46 4.532 -4.199 -3.285 1.00 0.00 C ATOM 638 CG TYR A 46 5.410 -5.246 -2.638 1.00 0.00 C ATOM 639 CD1 TYR A 46 4.931 -6.040 -1.604 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.719 -5.442 -3.062 1.00 0.00 C ATOM 641 CE1 TYR A 46 5.730 -6.997 -1.009 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.524 -6.398 -2.474 1.00 0.00 C ATOM 643 CZ TYR A 46 7.026 -7.172 -1.448 1.00 0.00 C ATOM 644 OH TYR A 46 7.824 -8.126 -0.859 1.00 0.00 O ATOM 0 H TYR A 46 2.560 -6.302 -2.903 1.00 0.00 H new ATOM 0 HA TYR A 46 2.910 -3.991 -4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.144 -3.575 -3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.126 -3.548 -2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.916 -5.907 -1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.113 -4.837 -3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.342 -7.605 -0.205 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.539 -6.538 -2.816 1.00 0.00 H new ATOM 0 HH TYR A 46 8.707 -8.122 -1.285 1.00 0.00 H new ATOM 654 N CYS A 47 4.041 -5.465 -6.330 1.00 0.00 N ATOM 655 CA CYS A 47 4.536 -6.379 -7.352 1.00 0.00 C ATOM 656 C CYS A 47 5.941 -5.987 -7.798 1.00 0.00 C ATOM 657 O CYS A 47 6.146 -4.917 -8.372 1.00 0.00 O ATOM 658 CB CYS A 47 3.591 -6.393 -8.555 1.00 0.00 C ATOM 659 SG CYS A 47 4.353 -6.981 -10.086 1.00 0.00 S ATOM 0 H CYS A 47 3.814 -4.532 -6.673 1.00 0.00 H new ATOM 0 HA CYS A 47 4.577 -7.379 -6.920 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.734 -7.025 -8.323 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.210 -5.385 -8.716 1.00 0.00 H new ATOM 0 HG CYS A 47 5.645 -6.873 -9.997 1.00 0.00 H new ATOM 665 N PHE A 48 6.906 -6.860 -7.530 1.00 0.00 N ATOM 666 CA PHE A 48 8.293 -6.604 -7.901 1.00 0.00 C ATOM 667 C PHE A 48 8.440 -6.496 -9.416 1.00 0.00 C ATOM 668 O PHE A 48 7.549 -6.895 -10.165 1.00 0.00 O ATOM 669 CB PHE A 48 9.199 -7.716 -7.367 1.00 0.00 C ATOM 670 CG PHE A 48 10.585 -7.248 -7.027 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.814 -6.488 -5.891 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.659 -7.567 -7.842 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.088 -6.055 -5.574 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.935 -7.138 -7.530 1.00 0.00 C ATOM 675 CZ PHE A 48 13.150 -6.380 -6.395 1.00 0.00 C ATOM 0 H PHE A 48 6.753 -7.751 -7.057 1.00 0.00 H new ATOM 0 HA PHE A 48 8.593 -5.655 -7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.742 -8.150 -6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.264 -8.509 -8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.987 -6.231 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.497 -8.158 -8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.253 -5.463 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.764 -7.395 -8.173 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.146 -6.042 -6.150 1.00 0.00 H new ATOM 685 N GLU A 49 9.570 -5.953 -9.858 1.00 0.00 N ATOM 686 CA GLU A 49 9.832 -5.791 -11.283 1.00 0.00 C ATOM 687 C GLU A 49 10.131 -7.137 -11.938 1.00 0.00 C ATOM 688 O GLU A 49 9.525 -7.497 -12.946 1.00 0.00 O ATOM 689 CB GLU A 49 11.005 -4.833 -11.502 1.00 0.00 C ATOM 690 CG GLU A 49 12.323 -5.348 -10.948 1.00 0.00 C ATOM 691 CD GLU A 49 13.404 -4.285 -10.933 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.510 -3.562 -9.920 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.144 -4.175 -11.933 1.00 0.00 O ATOM 0 H GLU A 49 10.318 -5.618 -9.250 1.00 0.00 H new ATOM 0 HA GLU A 49 8.938 -5.372 -11.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.117 -4.648 -12.570 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.773 -3.876 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.167 -5.717 -9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.659 -6.194 -11.547 1.00 0.00 H new ATOM 700 N GLY A 50 11.071 -7.876 -11.356 1.00 0.00 N ATOM 701 CA GLY A 50 11.435 -9.173 -11.896 1.00 0.00 C ATOM 702 C GLY A 50 10.445 -10.256 -11.519 1.00 0.00 C ATOM 703 O GLY A 50 10.835 -11.348 -11.102 1.00 0.00 O ATOM 0 H GLY A 50 11.587 -7.600 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.499 -9.106 -12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.426 -9.449 -11.534 1.00 0.00 H new ATOM 707 N THR A 51 9.158 -9.956 -11.662 1.00 0.00 N ATOM 708 CA THR A 51 8.109 -10.912 -11.331 1.00 0.00 C ATOM 709 C THR A 51 6.808 -10.570 -12.048 1.00 0.00 C ATOM 710 O THR A 51 6.646 -9.467 -12.567 1.00 0.00 O ATOM 711 CB THR A 51 7.848 -10.956 -9.813 1.00 0.00 C ATOM 712 OG1 THR A 51 7.358 -9.689 -9.363 1.00 0.00 O ATOM 713 CG2 THR A 51 9.119 -11.313 -9.057 1.00 0.00 C ATOM 0 H THR A 51 8.817 -9.058 -12.005 1.00 0.00 H new ATOM 0 HA THR A 51 8.457 -11.891 -11.661 1.00 0.00 H new ATOM 0 HB THR A 51 7.099 -11.724 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.632 -8.990 -9.993 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.911 -11.338 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.472 -12.292 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.885 -10.565 -9.260 1.00 0.00 H new ATOM 721 N GLU A 52 5.883 -11.525 -12.073 1.00 0.00 N ATOM 722 CA GLU A 52 4.595 -11.324 -12.727 1.00 0.00 C ATOM 723 C GLU A 52 3.446 -11.549 -11.749 1.00 0.00 C ATOM 724 O GLU A 52 2.294 -11.703 -12.154 1.00 0.00 O ATOM 725 CB GLU A 52 4.454 -12.267 -13.924 1.00 0.00 C ATOM 726 CG GLU A 52 3.345 -11.869 -14.884 1.00 0.00 C ATOM 727 CD GLU A 52 3.626 -12.301 -16.310 1.00 0.00 C ATOM 728 OE1 GLU A 52 3.273 -13.446 -16.665 1.00 0.00 O ATOM 729 OE2 GLU A 52 4.199 -11.494 -17.072 1.00 0.00 O ATOM 0 H GLU A 52 6.002 -12.445 -11.648 1.00 0.00 H new ATOM 0 HA GLU A 52 4.552 -10.293 -13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.399 -12.297 -14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.263 -13.277 -13.560 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.406 -12.312 -14.552 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.215 -10.787 -14.855 1.00 0.00 H new ATOM 736 N ASP A 53 3.769 -11.569 -10.461 1.00 0.00 N ATOM 737 CA ASP A 53 2.765 -11.776 -9.424 1.00 0.00 C ATOM 738 C ASP A 53 2.808 -10.651 -8.394 1.00 0.00 C ATOM 739 O ASP A 53 3.836 -9.999 -8.216 1.00 0.00 O ATOM 740 CB ASP A 53 2.983 -13.124 -8.734 1.00 0.00 C ATOM 741 CG ASP A 53 2.671 -14.296 -9.643 1.00 0.00 C ATOM 742 OD1 ASP A 53 1.493 -14.452 -10.028 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.604 -15.058 -9.969 1.00 0.00 O ATOM 0 H ASP A 53 4.718 -11.444 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 53 1.783 -11.774 -9.898 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.018 -13.194 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.355 -13.180 -7.845 1.00 0.00 H new ATOM 748 N TRP A 54 1.684 -10.429 -7.722 1.00 0.00 N ATOM 749 CA TRP A 54 1.593 -9.382 -6.711 1.00 0.00 C ATOM 750 C TRP A 54 1.714 -9.967 -5.308 1.00 0.00 C ATOM 751 O TRP A 54 0.818 -10.670 -4.840 1.00 0.00 O ATOM 752 CB TRP A 54 0.271 -8.625 -6.848 1.00 0.00 C ATOM 753 CG TRP A 54 0.219 -7.736 -8.054 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.082 -8.107 -9.334 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.476 -6.328 -8.092 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.027 -7.015 -10.165 1.00 0.00 N ATOM 757 CE2 TRP A 54 0.312 -5.911 -9.428 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.826 -5.379 -7.129 1.00 0.00 C ATOM 759 CZ2 TRP A 54 0.488 -4.587 -9.821 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.001 -4.065 -7.520 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.831 -3.679 -8.857 1.00 0.00 C ATOM 0 H TRP A 54 0.824 -10.960 -7.859 1.00 0.00 H new ATOM 0 HA TRP A 54 2.419 -8.688 -6.868 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.547 -9.343 -6.899 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.111 -8.022 -5.954 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.327 -9.111 -9.646 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.209 -7.024 -11.169 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.958 -5.667 -6.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.358 -4.287 -10.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.273 -3.323 -6.784 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.974 -2.644 -9.131 1.00 0.00 H new ATOM 772 N ILE A 55 2.826 -9.673 -4.643 1.00 0.00 N ATOM 773 CA ILE A 55 3.062 -10.170 -3.293 1.00 0.00 C ATOM 774 C ILE A 55 2.248 -9.387 -2.269 1.00 0.00 C ATOM 775 O ILE A 55 2.157 -8.161 -2.338 1.00 0.00 O ATOM 776 CB ILE A 55 4.553 -10.090 -2.916 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.410 -10.766 -3.988 1.00 0.00 C ATOM 778 CG2 ILE A 55 4.792 -10.731 -1.558 1.00 0.00 C ATOM 779 CD1 ILE A 55 6.802 -10.185 -4.105 1.00 0.00 C ATOM 0 H ILE A 55 3.577 -9.093 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 55 2.748 -11.214 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 55 4.841 -9.040 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.487 -11.830 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.907 -10.680 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.851 -10.666 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.206 -10.209 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.491 -11.778 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.352 -10.713 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.735 -9.128 -4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.323 -10.295 -3.154 1.00 0.00 H new ATOM 791 N VAL A 56 1.658 -10.104 -1.317 1.00 0.00 N ATOM 792 CA VAL A 56 0.853 -9.476 -0.276 1.00 0.00 C ATOM 793 C VAL A 56 1.710 -9.092 0.925 1.00 0.00 C ATOM 794 O VAL A 56 2.334 -9.946 1.553 1.00 0.00 O ATOM 795 CB VAL A 56 -0.281 -10.407 0.194 1.00 0.00 C ATOM 796 CG1 VAL A 56 -1.062 -9.765 1.331 1.00 0.00 C ATOM 797 CG2 VAL A 56 -1.202 -10.752 -0.967 1.00 0.00 C ATOM 0 H VAL A 56 1.723 -11.119 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 56 0.418 -8.576 -0.711 1.00 0.00 H new ATOM 0 HB VAL A 56 0.161 -11.332 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.859 -10.437 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.392 -9.573 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.495 -8.825 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.997 -11.410 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.638 -9.838 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.631 -11.255 -1.747 1.00 0.00 H new ATOM 807 N ALA A 57 1.735 -7.801 1.238 1.00 0.00 N ATOM 808 CA ALA A 57 2.514 -7.303 2.365 1.00 0.00 C ATOM 809 C ALA A 57 1.844 -7.651 3.691 1.00 0.00 C ATOM 810 O ALA A 57 2.438 -8.311 4.542 1.00 0.00 O ATOM 811 CB ALA A 57 2.709 -5.799 2.249 1.00 0.00 C ATOM 0 H ALA A 57 1.225 -7.081 0.727 1.00 0.00 H new ATOM 0 HA ALA A 57 3.490 -7.787 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.292 -5.441 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.237 -5.571 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.737 -5.305 2.243 1.00 0.00 H new ATOM 817 N ASN A 58 0.605 -7.201 3.858 1.00 0.00 N ATOM 818 CA ASN A 58 -0.144 -7.463 5.082 1.00 0.00 C ATOM 819 C ASN A 58 -0.615 -8.914 5.131 1.00 0.00 C ATOM 820 O ASN A 58 -0.497 -9.650 4.151 1.00 0.00 O ATOM 821 CB ASN A 58 -1.346 -6.522 5.180 1.00 0.00 C ATOM 822 CG ASN A 58 -2.115 -6.699 6.475 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.583 -6.469 7.562 1.00 0.00 O ATOM 824 ND2 ASN A 58 -3.373 -7.109 6.365 1.00 0.00 N ATOM 0 H ASN A 58 0.098 -6.654 3.162 1.00 0.00 H new ATOM 0 HA ASN A 58 0.518 -7.285 5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -1.003 -5.490 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.013 -6.701 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.940 -7.246 7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.773 -7.287 5.444 1.00 0.00 H new ATOM 831 N LYS A 59 -1.150 -9.318 6.278 1.00 0.00 N ATOM 832 CA LYS A 59 -1.641 -10.680 6.456 1.00 0.00 C ATOM 833 C LYS A 59 -3.154 -10.692 6.647 1.00 0.00 C ATOM 834 O LYS A 59 -3.894 -11.177 5.791 1.00 0.00 O ATOM 835 CB LYS A 59 -0.959 -11.337 7.658 1.00 0.00 C ATOM 836 CG LYS A 59 -1.341 -12.794 7.853 1.00 0.00 C ATOM 837 CD LYS A 59 -0.410 -13.721 7.089 1.00 0.00 C ATOM 838 CE LYS A 59 -0.804 -15.179 7.271 1.00 0.00 C ATOM 839 NZ LYS A 59 0.343 -16.098 7.029 1.00 0.00 N ATOM 0 H LYS A 59 -1.255 -8.722 7.099 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.402 -11.246 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.122 -11.267 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.214 -10.780 8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.311 -13.040 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.367 -12.950 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.431 -13.467 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.614 -13.574 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.183 -15.329 8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.616 -15.424 6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.034 -17.082 7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.689 -15.973 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.109 -15.882 7.699 1.00 0.00 H new ATOM 853 N ASP A 60 -3.607 -10.153 7.774 1.00 0.00 N ATOM 854 CA ASP A 60 -5.033 -10.100 8.077 1.00 0.00 C ATOM 855 C ASP A 60 -5.590 -8.703 7.821 1.00 0.00 C ATOM 856 O ASP A 60 -6.315 -8.480 6.850 1.00 0.00 O ATOM 857 CB ASP A 60 -5.283 -10.505 9.530 1.00 0.00 C ATOM 858 CG ASP A 60 -5.254 -12.008 9.726 1.00 0.00 C ATOM 859 OD1 ASP A 60 -4.523 -12.690 8.978 1.00 0.00 O ATOM 860 OD2 ASP A 60 -5.963 -12.502 10.628 1.00 0.00 O ATOM 0 H ASP A 60 -3.008 -9.747 8.493 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.546 -10.802 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.529 -10.044 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.250 -10.118 9.850 1.00 0.00 H new ATOM 865 N LEU A 61 -5.249 -7.766 8.699 1.00 0.00 N ATOM 866 CA LEU A 61 -5.716 -6.390 8.569 1.00 0.00 C ATOM 867 C LEU A 61 -4.734 -5.418 9.216 1.00 0.00 C ATOM 868 O LEU A 61 -4.245 -5.658 10.320 1.00 0.00 O ATOM 869 CB LEU A 61 -7.098 -6.238 9.209 1.00 0.00 C ATOM 870 CG LEU A 61 -7.114 -5.906 10.701 1.00 0.00 C ATOM 871 CD1 LEU A 61 -6.926 -4.413 10.918 1.00 0.00 C ATOM 872 CD2 LEU A 61 -8.411 -6.381 11.339 1.00 0.00 C ATOM 0 H LEU A 61 -4.651 -7.934 9.508 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.785 -6.154 7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.638 -5.455 8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.650 -7.165 9.058 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.285 -6.428 11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.940 -4.196 11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.970 -4.102 10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.733 -3.869 10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.405 -6.136 12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.255 -5.887 10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.503 -7.460 11.216 1.00 0.00 H new ATOM 884 N ILE A 62 -4.452 -4.321 8.521 1.00 0.00 N ATOM 885 CA ILE A 62 -3.531 -3.312 9.029 1.00 0.00 C ATOM 886 C ILE A 62 -4.258 -2.293 9.900 1.00 0.00 C ATOM 887 O ILE A 62 -5.003 -1.451 9.398 1.00 0.00 O ATOM 888 CB ILE A 62 -2.817 -2.573 7.882 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.271 -3.576 6.863 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.695 -1.703 8.430 1.00 0.00 C ATOM 891 CD1 ILE A 62 -2.157 -3.012 5.463 1.00 0.00 C ATOM 0 H ILE A 62 -4.848 -4.109 7.605 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.788 -3.837 9.630 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.538 -1.928 7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.289 -3.916 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.921 -4.451 6.842 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.200 -1.187 7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.108 -0.969 9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.972 -2.329 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.764 -3.777 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.141 -2.698 5.116 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.484 -2.155 5.470 1.00 0.00 H new ATOM 903 N ASP A 63 -4.036 -2.375 11.207 1.00 0.00 N ATOM 904 CA ASP A 63 -4.668 -1.458 12.149 1.00 0.00 C ATOM 905 C ASP A 63 -4.401 -0.008 11.757 1.00 0.00 C ATOM 906 O ASP A 63 -5.291 0.840 11.830 1.00 0.00 O ATOM 907 CB ASP A 63 -4.158 -1.718 13.567 1.00 0.00 C ATOM 908 CG ASP A 63 -4.807 -2.932 14.202 1.00 0.00 C ATOM 909 OD1 ASP A 63 -4.267 -4.046 14.039 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.855 -2.768 14.862 1.00 0.00 O ATOM 0 H ASP A 63 -3.423 -3.067 11.639 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.744 -1.631 12.121 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.077 -1.859 13.541 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.350 -0.841 14.186 1.00 0.00 H new ATOM 915 N LYS A 64 -3.170 0.271 11.342 1.00 0.00 N ATOM 916 CA LYS A 64 -2.785 1.618 10.938 1.00 0.00 C ATOM 917 C LYS A 64 -3.228 1.905 9.507 1.00 0.00 C ATOM 918 O LYS A 64 -3.524 0.986 8.741 1.00 0.00 O ATOM 919 CB LYS A 64 -1.270 1.795 11.059 1.00 0.00 C ATOM 920 CG LYS A 64 -0.804 2.099 12.472 1.00 0.00 C ATOM 921 CD LYS A 64 0.493 2.891 12.473 1.00 0.00 C ATOM 922 CE LYS A 64 1.689 2.003 12.168 1.00 0.00 C ATOM 923 NZ LYS A 64 2.961 2.593 12.670 1.00 0.00 N ATOM 0 H LYS A 64 -2.421 -0.419 11.277 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.282 2.325 11.602 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.778 0.887 10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.953 2.603 10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.576 2.662 12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.662 1.166 13.018 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.433 3.689 11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.630 3.366 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.539 1.023 12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.761 1.848 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.752 1.957 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.118 3.516 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.903 2.718 13.701 1.00 0.00 H new ATOM 937 N THR A 65 -3.271 3.185 9.151 1.00 0.00 N ATOM 938 CA THR A 65 -3.677 3.592 7.812 1.00 0.00 C ATOM 939 C THR A 65 -2.489 3.606 6.857 1.00 0.00 C ATOM 940 O THR A 65 -2.550 4.204 5.782 1.00 0.00 O ATOM 941 CB THR A 65 -4.329 4.988 7.823 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.562 5.880 8.639 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.756 4.915 8.346 1.00 0.00 C ATOM 0 H THR A 65 -3.030 3.958 9.772 1.00 0.00 H new ATOM 0 HA THR A 65 -4.408 2.860 7.467 1.00 0.00 H new ATOM 0 HB THR A 65 -4.353 5.362 6.799 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.982 6.766 8.640 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.196 5.912 8.344 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.345 4.258 7.706 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.751 4.522 9.363 1.00 0.00 H new ATOM 951 N LYS A 66 -1.409 2.943 7.254 1.00 0.00 N ATOM 952 CA LYS A 66 -0.206 2.877 6.433 1.00 0.00 C ATOM 953 C LYS A 66 0.477 1.521 6.577 1.00 0.00 C ATOM 954 O LYS A 66 -0.014 0.638 7.281 1.00 0.00 O ATOM 955 CB LYS A 66 0.765 3.993 6.824 1.00 0.00 C ATOM 956 CG LYS A 66 0.968 4.126 8.323 1.00 0.00 C ATOM 957 CD LYS A 66 2.286 4.807 8.649 1.00 0.00 C ATOM 958 CE LYS A 66 2.130 6.319 8.722 1.00 0.00 C ATOM 959 NZ LYS A 66 1.224 6.730 9.830 1.00 0.00 N ATOM 0 H LYS A 66 -1.342 2.443 8.140 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.500 3.008 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.729 3.807 6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.394 4.940 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.146 4.698 8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.944 3.138 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.664 4.433 9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.026 4.553 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.108 6.779 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.737 6.690 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.456 7.700 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.237 6.694 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.345 6.084 10.636 1.00 0.00 H new ATOM 973 N PHE A 67 1.614 1.361 5.907 1.00 0.00 N ATOM 974 CA PHE A 67 2.365 0.113 5.962 1.00 0.00 C ATOM 975 C PHE A 67 3.776 0.303 5.414 1.00 0.00 C ATOM 976 O PHE A 67 4.020 1.176 4.581 1.00 0.00 O ATOM 977 CB PHE A 67 1.641 -0.978 5.169 1.00 0.00 C ATOM 978 CG PHE A 67 2.207 -2.352 5.385 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.441 -2.698 4.859 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.504 -3.298 6.114 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.965 -3.962 5.056 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.023 -4.563 6.315 1.00 0.00 C ATOM 983 CZ PHE A 67 3.255 -4.896 5.785 1.00 0.00 C ATOM 0 H PHE A 67 2.035 2.081 5.320 1.00 0.00 H new ATOM 0 HA PHE A 67 2.437 -0.193 7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.587 -0.980 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.689 -0.737 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.000 -1.972 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.540 -3.044 6.530 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.928 -4.219 4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.466 -5.291 6.886 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.662 -5.884 5.940 1.00 0.00 H new ATOM 993 N THR A 68 4.705 -0.522 5.888 1.00 0.00 N ATOM 994 CA THR A 68 6.092 -0.445 5.449 1.00 0.00 C ATOM 995 C THR A 68 6.608 -1.812 5.015 1.00 0.00 C ATOM 996 O THR A 68 6.665 -2.747 5.814 1.00 0.00 O ATOM 997 CB THR A 68 7.004 0.106 6.561 1.00 0.00 C ATOM 998 OG1 THR A 68 6.542 1.395 6.980 1.00 0.00 O ATOM 999 CG2 THR A 68 8.444 0.210 6.079 1.00 0.00 C ATOM 0 H THR A 68 4.521 -1.252 6.577 1.00 0.00 H new ATOM 0 HA THR A 68 6.117 0.236 4.599 1.00 0.00 H new ATOM 0 HB THR A 68 6.969 -0.584 7.404 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.126 1.738 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.069 0.602 6.882 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.803 -0.777 5.789 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.493 0.881 5.221 1.00 0.00 H new ATOM 1007 N ILE A 69 6.984 -1.922 3.745 1.00 0.00 N ATOM 1008 CA ILE A 69 7.497 -3.175 3.206 1.00 0.00 C ATOM 1009 C ILE A 69 8.911 -3.451 3.707 1.00 0.00 C ATOM 1010 O ILE A 69 9.864 -2.778 3.313 1.00 0.00 O ATOM 1011 CB ILE A 69 7.503 -3.165 1.666 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.112 -2.822 1.131 1.00 0.00 C ATOM 1013 CG2 ILE A 69 7.966 -4.511 1.130 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.132 -2.180 -0.239 1.00 0.00 C ATOM 0 H ILE A 69 6.943 -1.158 3.070 1.00 0.00 H new ATOM 0 HA ILE A 69 6.830 -3.964 3.553 1.00 0.00 H new ATOM 0 HB ILE A 69 8.201 -2.400 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.514 -3.732 1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.618 -2.149 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.965 -4.489 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.975 -4.718 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.291 -5.293 1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.111 -1.964 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.703 -1.252 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.597 -2.860 -0.953 1.00 0.00 H new ATOM 1026 N THR A 70 9.040 -4.447 4.578 1.00 0.00 N ATOM 1027 CA THR A 70 10.337 -4.813 5.133 1.00 0.00 C ATOM 1028 C THR A 70 11.077 -5.776 4.212 1.00 0.00 C ATOM 1029 O THR A 70 10.504 -6.748 3.724 1.00 0.00 O ATOM 1030 CB THR A 70 10.191 -5.460 6.523 1.00 0.00 C ATOM 1031 OG1 THR A 70 9.233 -6.524 6.470 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.757 -4.432 7.557 1.00 0.00 C ATOM 0 H THR A 70 8.262 -5.014 4.914 1.00 0.00 H new ATOM 0 HA THR A 70 10.911 -3.892 5.228 1.00 0.00 H new ATOM 0 HB THR A 70 11.162 -5.859 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.287 -6.969 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.661 -4.913 8.530 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.502 -3.639 7.616 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.797 -4.006 7.266 1.00 0.00 H new ATOM 1040 N GLY A 71 12.357 -5.498 3.978 1.00 0.00 N ATOM 1041 CA GLY A 71 13.155 -6.350 3.116 1.00 0.00 C ATOM 1042 C GLY A 71 13.033 -5.971 1.653 1.00 0.00 C ATOM 1043 O GLY A 71 12.329 -6.633 0.889 1.00 0.00 O ATOM 0 H GLY A 71 12.854 -4.698 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.201 -6.290 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.845 -7.387 3.247 1.00 0.00 H new ATOM 1047 N LEU A 72 13.719 -4.903 1.261 1.00 0.00 N ATOM 1048 CA LEU A 72 13.683 -4.435 -0.120 1.00 0.00 C ATOM 1049 C LEU A 72 15.081 -4.063 -0.604 1.00 0.00 C ATOM 1050 O LEU A 72 15.836 -3.368 0.076 1.00 0.00 O ATOM 1051 CB LEU A 72 12.749 -3.231 -0.248 1.00 0.00 C ATOM 1052 CG LEU A 72 11.253 -3.545 -0.296 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.436 -2.287 -0.043 1.00 0.00 C ATOM 1054 CD2 LEU A 72 10.881 -4.164 -1.636 1.00 0.00 C ATOM 0 H LEU A 72 14.307 -4.345 1.880 1.00 0.00 H new ATOM 0 HA LEU A 72 13.306 -5.246 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.933 -2.563 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.015 -2.685 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 72 11.026 -4.265 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.374 -2.529 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.682 -1.885 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.666 -1.544 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.813 -4.381 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.122 -3.467 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.441 -5.088 -1.778 1.00 0.00 H new ATOM 1066 N PRO A 73 15.434 -4.532 -1.810 1.00 0.00 N ATOM 1067 CA PRO A 73 16.742 -4.259 -2.414 1.00 0.00 C ATOM 1068 C PRO A 73 16.894 -2.800 -2.829 1.00 0.00 C ATOM 1069 O PRO A 73 16.019 -2.234 -3.486 1.00 0.00 O ATOM 1070 CB PRO A 73 16.761 -5.170 -3.644 1.00 0.00 C ATOM 1071 CG PRO A 73 15.326 -5.378 -3.985 1.00 0.00 C ATOM 1072 CD PRO A 73 14.585 -5.366 -2.677 1.00 0.00 C ATOM 0 HA PRO A 73 17.560 -4.443 -1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.301 -4.708 -4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.258 -6.116 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.964 -4.591 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.182 -6.324 -4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.586 -4.945 -2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.465 -6.372 -2.274 1.00 0.00 H new ATOM 1080 N THR A 74 18.013 -2.193 -2.444 1.00 0.00 N ATOM 1081 CA THR A 74 18.280 -0.799 -2.775 1.00 0.00 C ATOM 1082 C THR A 74 18.318 -0.591 -4.285 1.00 0.00 C ATOM 1083 O THR A 74 18.875 -1.406 -5.020 1.00 0.00 O ATOM 1084 CB THR A 74 19.614 -0.323 -2.169 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.653 -0.629 -0.771 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.796 1.173 -2.371 1.00 0.00 C ATOM 0 H THR A 74 18.749 -2.646 -1.902 1.00 0.00 H new ATOM 0 HA THR A 74 17.466 -0.211 -2.350 1.00 0.00 H new ATOM 0 HB THR A 74 20.426 -0.844 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 74 18.773 -0.458 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.745 1.486 -1.935 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.794 1.399 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 74 18.980 1.708 -1.886 1.00 0.00 H new ATOM 1094 N ASP A 75 17.723 0.506 -4.741 1.00 0.00 N ATOM 1095 CA ASP A 75 17.690 0.823 -6.164 1.00 0.00 C ATOM 1096 C ASP A 75 16.805 -0.163 -6.920 1.00 0.00 C ATOM 1097 O ASP A 75 17.159 -0.626 -8.003 1.00 0.00 O ATOM 1098 CB ASP A 75 19.105 0.805 -6.745 1.00 0.00 C ATOM 1099 CG ASP A 75 19.185 1.492 -8.094 1.00 0.00 C ATOM 1100 OD1 ASP A 75 18.656 2.616 -8.220 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.776 0.905 -9.024 1.00 0.00 O ATOM 0 H ASP A 75 17.257 1.191 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 75 17.271 1.822 -6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.786 1.295 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.440 -0.227 -6.846 1.00 0.00 H new ATOM 1106 N ALA A 76 15.652 -0.480 -6.340 1.00 0.00 N ATOM 1107 CA ALA A 76 14.715 -1.410 -6.959 1.00 0.00 C ATOM 1108 C ALA A 76 13.354 -0.757 -7.173 1.00 0.00 C ATOM 1109 O ALA A 76 12.867 -0.017 -6.318 1.00 0.00 O ATOM 1110 CB ALA A 76 14.574 -2.663 -6.107 1.00 0.00 C ATOM 0 H ALA A 76 15.344 -0.106 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 76 15.111 -1.691 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.871 -3.348 -6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.545 -3.148 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.204 -2.391 -5.118 1.00 0.00 H new ATOM 1116 N LYS A 77 12.743 -1.036 -8.320 1.00 0.00 N ATOM 1117 CA LYS A 77 11.437 -0.476 -8.647 1.00 0.00 C ATOM 1118 C LYS A 77 10.327 -1.483 -8.362 1.00 0.00 C ATOM 1119 O LYS A 77 10.376 -2.622 -8.828 1.00 0.00 O ATOM 1120 CB LYS A 77 11.394 -0.055 -10.117 1.00 0.00 C ATOM 1121 CG LYS A 77 11.975 1.325 -10.372 1.00 0.00 C ATOM 1122 CD LYS A 77 11.688 1.798 -11.787 1.00 0.00 C ATOM 1123 CE LYS A 77 12.020 3.272 -11.960 1.00 0.00 C ATOM 1124 NZ LYS A 77 12.377 3.599 -13.368 1.00 0.00 N ATOM 0 H LYS A 77 13.132 -1.647 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 77 11.277 0.401 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.942 -0.786 -10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.360 -0.074 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.556 2.035 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.052 1.304 -10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.270 1.207 -12.494 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.637 1.631 -12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.166 3.875 -11.653 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.849 3.537 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.596 4.613 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.208 3.043 -13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.576 3.370 -13.991 1.00 0.00 H new ATOM 1138 N ILE A 78 9.328 -1.056 -7.598 1.00 0.00 N ATOM 1139 CA ILE A 78 8.205 -1.920 -7.255 1.00 0.00 C ATOM 1140 C ILE A 78 6.886 -1.159 -7.321 1.00 0.00 C ATOM 1141 O ILE A 78 6.866 0.072 -7.326 1.00 0.00 O ATOM 1142 CB ILE A 78 8.368 -2.522 -5.847 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.455 -1.410 -4.800 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.604 -3.408 -5.790 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.956 -1.826 -3.434 1.00 0.00 C ATOM 0 H ILE A 78 9.273 -0.117 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 78 8.193 -2.727 -7.987 1.00 0.00 H new ATOM 0 HB ILE A 78 7.494 -3.135 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.491 -1.082 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.877 -0.552 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.706 -3.826 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.505 -4.218 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.488 -2.816 -6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.047 -0.988 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.910 -2.126 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.550 -2.664 -3.069 1.00 0.00 H new ATOM 1157 N PHE A 79 5.783 -1.900 -7.368 1.00 0.00 N ATOM 1158 CA PHE A 79 4.458 -1.295 -7.433 1.00 0.00 C ATOM 1159 C PHE A 79 3.784 -1.316 -6.064 1.00 0.00 C ATOM 1160 O PHE A 79 4.186 -2.064 -5.173 1.00 0.00 O ATOM 1161 CB PHE A 79 3.588 -2.030 -8.454 1.00 0.00 C ATOM 1162 CG PHE A 79 4.039 -1.839 -9.874 1.00 0.00 C ATOM 1163 CD1 PHE A 79 3.920 -0.605 -10.493 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.582 -2.893 -10.590 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.335 -0.426 -11.799 1.00 0.00 C ATOM 1166 CE2 PHE A 79 4.999 -2.720 -11.896 1.00 0.00 C ATOM 1167 CZ PHE A 79 4.874 -1.485 -12.502 1.00 0.00 C ATOM 0 H PHE A 79 5.781 -2.920 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 79 4.574 -0.257 -7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.589 -3.095 -8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.559 -1.684 -8.358 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.498 0.227 -9.948 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.681 -3.861 -10.122 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.238 0.541 -12.269 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.422 -3.550 -12.443 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.197 -1.348 -13.523 1.00 0.00 H new ATOM 1177 N VAL A 80 2.755 -0.490 -5.905 1.00 0.00 N ATOM 1178 CA VAL A 80 2.023 -0.414 -4.646 1.00 0.00 C ATOM 1179 C VAL A 80 0.539 -0.160 -4.887 1.00 0.00 C ATOM 1180 O VAL A 80 0.166 0.775 -5.597 1.00 0.00 O ATOM 1181 CB VAL A 80 2.582 0.698 -3.739 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.762 0.809 -2.463 1.00 0.00 C ATOM 1183 CG2 VAL A 80 4.047 0.439 -3.420 1.00 0.00 C ATOM 0 H VAL A 80 2.409 0.136 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 80 2.148 -1.376 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 80 2.512 1.647 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.172 1.600 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.728 1.045 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.798 -0.138 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.426 1.234 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.144 -0.518 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.622 0.415 -4.346 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.303 -0.997 -4.292 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.747 -0.864 -4.443 1.00 0.00 C ATOM 1195 C ARG A 81 -2.466 -1.237 -3.149 1.00 0.00 C ATOM 1196 O ARG A 81 -2.191 -2.278 -2.552 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.246 -1.747 -5.588 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.419 -1.623 -6.857 1.00 0.00 C ATOM 1199 CD ARG A 81 -2.219 -2.026 -8.085 1.00 0.00 C ATOM 1200 NE ARG A 81 -2.102 -3.453 -8.371 1.00 0.00 N ATOM 1201 CZ ARG A 81 -2.844 -4.384 -7.782 1.00 0.00 C ATOM 1202 NH1 ARG A 81 -3.752 -4.040 -6.880 1.00 0.00 N ATOM 1203 NH2 ARG A 81 -2.679 -5.663 -8.095 1.00 0.00 N ATOM 0 H ARG A 81 -0.011 -1.775 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.968 0.178 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.242 -2.787 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.281 -1.487 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.073 -0.595 -6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.532 -2.251 -6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.268 -1.772 -7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.873 -1.454 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.413 -3.751 -9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.882 -3.058 -6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.320 -4.757 -6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.982 -5.932 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.250 -6.377 -7.642 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.386 -0.379 -2.721 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.145 -0.618 -1.499 1.00 0.00 C ATOM 1219 C VAL A 82 -5.639 -0.702 -1.787 1.00 0.00 C ATOM 1220 O VAL A 82 -6.141 -0.064 -2.712 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.895 0.489 -0.457 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.550 0.287 0.225 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -3.970 1.861 -1.111 1.00 0.00 C ATOM 0 H VAL A 82 -3.624 0.488 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.802 -1.571 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.673 0.431 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.391 1.078 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.538 -0.680 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.756 0.318 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.791 2.632 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.214 1.933 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.959 2.002 -1.548 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.347 -1.492 -0.987 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.786 -1.659 -1.153 1.00 0.00 C ATOM 1235 C LYS A 83 -8.457 -1.962 0.183 1.00 0.00 C ATOM 1236 O LYS A 83 -7.826 -2.486 1.100 1.00 0.00 O ATOM 1237 CB LYS A 83 -8.078 -2.785 -2.149 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.347 -4.079 -1.836 1.00 0.00 C ATOM 1239 CD LYS A 83 -8.159 -4.968 -0.910 1.00 0.00 C ATOM 1240 CE LYS A 83 -7.861 -6.440 -1.148 1.00 0.00 C ATOM 1241 NZ LYS A 83 -6.732 -6.922 -0.305 1.00 0.00 N ATOM 0 H LYS A 83 -5.947 -2.027 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.192 -0.725 -1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.151 -2.978 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.801 -2.454 -3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.137 -4.613 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.386 -3.853 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.938 -4.714 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.222 -4.781 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.752 -7.030 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.621 -6.596 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.505 -7.905 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.898 -6.322 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.003 -6.876 0.698 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.739 -1.628 0.284 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.496 -1.868 1.507 1.00 0.00 C ATOM 1257 C ALA A 84 -10.976 -3.313 1.582 1.00 0.00 C ATOM 1258 O ALA A 84 -11.425 -3.881 0.586 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.677 -0.912 1.593 1.00 0.00 C ATOM 0 H ALA A 84 -10.275 -1.191 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.835 -1.689 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.233 -1.102 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.314 0.116 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.331 -1.064 0.734 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.879 -3.904 2.768 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.304 -5.283 2.973 1.00 0.00 C ATOM 1267 C VAL A 85 -12.098 -5.428 4.266 1.00 0.00 C ATOM 1268 O VAL A 85 -11.639 -5.028 5.336 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.099 -6.242 3.013 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -10.560 -7.669 3.270 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.306 -6.155 1.717 1.00 0.00 C ATOM 0 H VAL A 85 -10.509 -3.449 3.602 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.941 -5.546 2.128 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.446 -5.943 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.695 -8.332 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.081 -7.716 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.235 -7.982 2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.458 -6.839 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.948 -6.427 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.943 -5.136 1.580 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.291 -6.004 4.161 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.149 -6.202 5.323 1.00 0.00 C ATOM 1283 C ASN A 86 -14.939 -7.501 5.201 1.00 0.00 C ATOM 1284 O ASN A 86 -14.809 -8.229 4.217 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.109 -5.021 5.481 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.611 -4.501 4.148 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -16.677 -4.896 3.677 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.841 -3.610 3.533 1.00 0.00 N ATOM 0 H ASN A 86 -13.685 -6.342 3.283 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.513 -6.266 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.959 -5.326 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.605 -4.216 6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.126 -3.225 2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.965 -3.311 3.961 1.00 0.00 H new ATOM 1295 N ALA A 87 -15.760 -7.785 6.207 1.00 0.00 N ATOM 1296 CA ALA A 87 -16.574 -8.995 6.211 1.00 0.00 C ATOM 1297 C ALA A 87 -17.236 -9.215 4.856 1.00 0.00 C ATOM 1298 O ALA A 87 -17.158 -10.303 4.286 1.00 0.00 O ATOM 1299 CB ALA A 87 -17.625 -8.920 7.309 1.00 0.00 C ATOM 0 H ALA A 87 -15.879 -7.194 7.030 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.919 -9.844 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.226 -9.830 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.134 -8.818 8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.270 -8.058 7.137 1.00 0.00 H new ATOM 1305 N ALA A 88 -17.889 -8.176 4.345 1.00 0.00 N ATOM 1306 CA ALA A 88 -18.564 -8.257 3.055 1.00 0.00 C ATOM 1307 C ALA A 88 -17.627 -8.792 1.978 1.00 0.00 C ATOM 1308 O ALA A 88 -17.932 -9.779 1.311 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.105 -6.892 2.657 1.00 0.00 C ATOM 0 H ALA A 88 -17.965 -7.269 4.805 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.398 -8.952 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.607 -6.967 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.815 -6.549 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.282 -6.181 2.584 1.00 0.00 H new ATOM 1315 N GLY A 89 -16.484 -8.132 1.812 1.00 0.00 N ATOM 1316 CA GLY A 89 -15.521 -8.555 0.813 1.00 0.00 C ATOM 1317 C GLY A 89 -14.366 -7.583 0.673 1.00 0.00 C ATOM 1318 O GLY A 89 -13.845 -7.080 1.667 1.00 0.00 O ATOM 0 H GLY A 89 -16.209 -7.312 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.134 -9.538 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.022 -8.660 -0.149 1.00 0.00 H new ATOM 1322 N ALA A 90 -13.964 -7.320 -0.566 1.00 0.00 N ATOM 1323 CA ALA A 90 -12.864 -6.402 -0.834 1.00 0.00 C ATOM 1324 C ALA A 90 -13.264 -5.352 -1.865 1.00 0.00 C ATOM 1325 O ALA A 90 -14.325 -5.445 -2.481 1.00 0.00 O ATOM 1326 CB ALA A 90 -11.639 -7.170 -1.307 1.00 0.00 C ATOM 0 H ALA A 90 -14.384 -7.730 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.619 -5.886 0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.825 -6.472 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.333 -7.877 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.880 -7.712 -2.221 1.00 0.00 H new ATOM 1332 N SER A 91 -12.407 -4.352 -2.047 1.00 0.00 N ATOM 1333 CA SER A 91 -12.673 -3.282 -3.001 1.00 0.00 C ATOM 1334 C SER A 91 -11.685 -3.332 -4.163 1.00 0.00 C ATOM 1335 O SER A 91 -10.697 -4.063 -4.120 1.00 0.00 O ATOM 1336 CB SER A 91 -12.593 -1.920 -2.307 1.00 0.00 C ATOM 1337 OG SER A 91 -11.250 -1.577 -2.010 1.00 0.00 O ATOM 0 H SER A 91 -11.523 -4.261 -1.546 1.00 0.00 H new ATOM 0 HA SER A 91 -13.679 -3.422 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.034 -1.156 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.178 -1.942 -1.388 1.00 0.00 H new ATOM 0 HG SER A 91 -10.829 -1.185 -2.804 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.962 -2.548 -5.201 1.00 0.00 N ATOM 1344 CA GLU A 92 -11.099 -2.503 -6.375 1.00 0.00 C ATOM 1345 C GLU A 92 -9.701 -2.016 -6.005 1.00 0.00 C ATOM 1346 O GLU A 92 -9.526 -1.144 -5.153 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.703 -1.591 -7.445 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.530 -0.110 -7.150 1.00 0.00 C ATOM 1349 CD GLU A 92 -12.081 0.772 -8.254 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -13.271 0.618 -8.598 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -11.321 1.617 -8.772 1.00 0.00 O ATOM 0 H GLU A 92 -12.777 -1.936 -5.252 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.018 -3.514 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.242 -1.818 -8.406 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.766 -1.812 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.032 0.131 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.471 0.108 -7.010 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.682 -2.591 -6.659 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.281 -2.232 -6.416 1.00 0.00 C ATOM 1360 C PRO A 93 -6.946 -0.833 -6.923 1.00 0.00 C ATOM 1361 O PRO A 93 -7.478 -0.385 -7.939 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.502 -3.288 -7.204 1.00 0.00 C ATOM 1363 CG PRO A 93 -7.437 -3.726 -8.278 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.817 -3.637 -7.687 1.00 0.00 C ATOM 0 HA PRO A 93 -7.043 -2.214 -5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.585 -2.873 -7.622 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.212 -4.123 -6.567 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.347 -3.088 -9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.214 -4.744 -8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.559 -3.368 -8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.131 -4.587 -7.255 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.059 -0.147 -6.210 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.650 1.200 -6.588 1.00 0.00 C ATOM 1374 C LYS A 94 -4.234 1.200 -7.156 1.00 0.00 C ATOM 1375 O LYS A 94 -3.294 0.745 -6.505 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.726 2.136 -5.380 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.712 3.609 -5.750 1.00 0.00 C ATOM 1378 CD LYS A 94 -4.294 4.147 -5.845 1.00 0.00 C ATOM 1379 CE LYS A 94 -4.275 5.668 -5.862 1.00 0.00 C ATOM 1380 NZ LYS A 94 -4.503 6.210 -7.231 1.00 0.00 N ATOM 0 H LYS A 94 -5.609 -0.503 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.332 1.556 -7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.636 1.919 -4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.886 1.929 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.220 3.750 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.269 4.177 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.709 3.784 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.819 3.766 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.043 6.048 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.316 6.024 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.483 7.249 -7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.756 5.868 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.429 5.892 -7.580 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.090 1.713 -8.373 1.00 0.00 N ATOM 1395 CA TYR A 95 -2.789 1.770 -9.029 1.00 0.00 C ATOM 1396 C TYR A 95 -2.227 3.188 -8.999 1.00 0.00 C ATOM 1397 O TYR A 95 -2.782 4.102 -9.609 1.00 0.00 O ATOM 1398 CB TYR A 95 -2.902 1.285 -10.475 1.00 0.00 C ATOM 1399 CG TYR A 95 -3.059 -0.213 -10.601 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -4.120 -0.874 -9.993 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -2.147 -0.969 -11.328 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -4.267 -2.243 -10.105 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -2.287 -2.338 -11.446 1.00 0.00 C ATOM 1404 CZ TYR A 95 -3.348 -2.970 -10.832 1.00 0.00 C ATOM 1405 OH TYR A 95 -3.492 -4.334 -10.946 1.00 0.00 O ATOM 0 H TYR A 95 -4.858 2.095 -8.925 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.107 1.116 -8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.755 1.772 -10.947 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.013 1.596 -11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.842 -0.308 -9.423 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -1.314 -0.477 -11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.097 -2.741 -9.626 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -1.570 -2.910 -12.016 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.762 -4.696 -11.491 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.121 3.363 -8.284 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.482 4.669 -8.172 1.00 0.00 C ATOM 1417 C TYR A 96 -0.055 5.187 -9.542 1.00 0.00 C ATOM 1418 O TYR A 96 -0.110 4.463 -10.536 1.00 0.00 O ATOM 1419 CB TYR A 96 0.731 4.589 -7.244 1.00 0.00 C ATOM 1420 CG TYR A 96 1.196 5.935 -6.737 1.00 0.00 C ATOM 1421 CD1 TYR A 96 0.649 6.493 -5.588 1.00 0.00 C ATOM 1422 CD2 TYR A 96 2.182 6.649 -7.407 1.00 0.00 C ATOM 1423 CE1 TYR A 96 1.071 7.724 -5.121 1.00 0.00 C ATOM 1424 CE2 TYR A 96 2.610 7.879 -6.947 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.051 8.412 -5.804 1.00 0.00 C ATOM 1426 OH TYR A 96 2.474 9.638 -5.343 1.00 0.00 O ATOM 0 H TYR A 96 -0.648 2.617 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.208 5.365 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.485 3.955 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.552 4.107 -7.774 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.119 5.956 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.621 6.235 -8.303 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.635 8.144 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.378 8.421 -7.479 1.00 0.00 H new ATOM 0 HH TYR A 96 3.170 9.989 -5.938 1.00 0.00 H new ATOM 1436 N SER A 97 0.372 6.444 -9.585 1.00 0.00 N ATOM 1437 CA SER A 97 0.806 7.062 -10.833 1.00 0.00 C ATOM 1438 C SER A 97 2.166 6.520 -11.263 1.00 0.00 C ATOM 1439 O SER A 97 2.264 5.736 -12.206 1.00 0.00 O ATOM 1440 CB SER A 97 0.876 8.582 -10.678 1.00 0.00 C ATOM 1441 OG SER A 97 -0.417 9.137 -10.507 1.00 0.00 O ATOM 0 H SER A 97 0.427 7.055 -8.770 1.00 0.00 H new ATOM 0 HA SER A 97 0.076 6.817 -11.604 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.500 8.835 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.349 9.019 -11.557 1.00 0.00 H new ATOM 0 HG SER A 97 -0.345 10.109 -10.408 1.00 0.00 H new ATOM 1447 N GLN A 98 3.213 6.945 -10.563 1.00 0.00 N ATOM 1448 CA GLN A 98 4.568 6.504 -10.871 1.00 0.00 C ATOM 1449 C GLN A 98 5.035 5.444 -9.879 1.00 0.00 C ATOM 1450 O GLN A 98 4.634 5.429 -8.715 1.00 0.00 O ATOM 1451 CB GLN A 98 5.530 7.693 -10.856 1.00 0.00 C ATOM 1452 CG GLN A 98 6.147 7.959 -9.492 1.00 0.00 C ATOM 1453 CD GLN A 98 6.975 9.228 -9.464 1.00 0.00 C ATOM 1454 OE1 GLN A 98 8.156 9.220 -9.814 1.00 0.00 O ATOM 1455 NE2 GLN A 98 6.360 10.329 -9.047 1.00 0.00 N ATOM 0 H GLN A 98 3.149 7.594 -9.779 1.00 0.00 H new ATOM 0 HA GLN A 98 4.561 6.064 -11.868 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.327 7.514 -11.577 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.997 8.585 -11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.355 8.030 -8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.775 7.114 -9.210 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.380 10.291 -8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.868 11.213 -9.008 1.00 0.00 H new ATOM 1464 N PRO A 99 5.903 4.536 -10.348 1.00 0.00 N ATOM 1465 CA PRO A 99 6.444 3.455 -9.518 1.00 0.00 C ATOM 1466 C PRO A 99 7.406 3.969 -8.452 1.00 0.00 C ATOM 1467 O PRO A 99 8.242 4.832 -8.722 1.00 0.00 O ATOM 1468 CB PRO A 99 7.183 2.570 -10.524 1.00 0.00 C ATOM 1469 CG PRO A 99 7.538 3.486 -11.645 1.00 0.00 C ATOM 1470 CD PRO A 99 6.425 4.493 -11.725 1.00 0.00 C ATOM 0 HA PRO A 99 5.661 2.934 -8.967 1.00 0.00 H new ATOM 0 HB2 PRO A 99 8.073 2.124 -10.080 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.553 1.750 -10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.494 3.975 -11.461 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.636 2.937 -12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.788 5.469 -12.047 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.657 4.188 -12.436 1.00 0.00 H new ATOM 1478 N ILE A 100 7.282 3.433 -7.242 1.00 0.00 N ATOM 1479 CA ILE A 100 8.143 3.837 -6.137 1.00 0.00 C ATOM 1480 C ILE A 100 9.504 3.154 -6.222 1.00 0.00 C ATOM 1481 O ILE A 100 9.591 1.940 -6.409 1.00 0.00 O ATOM 1482 CB ILE A 100 7.501 3.510 -4.776 1.00 0.00 C ATOM 1483 CG1 ILE A 100 6.092 4.101 -4.697 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.367 4.037 -3.642 1.00 0.00 C ATOM 1485 CD1 ILE A 100 5.048 3.273 -5.413 1.00 0.00 C ATOM 0 H ILE A 100 6.594 2.719 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 100 8.275 4.916 -6.218 1.00 0.00 H new ATOM 0 HB ILE A 100 7.426 2.427 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.808 4.203 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.103 5.104 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.900 3.798 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.352 3.573 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.470 5.118 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.074 3.752 -5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.308 3.192 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.008 2.277 -4.972 1.00 0.00 H new ATOM 1497 N LEU A 101 10.564 3.942 -6.082 1.00 0.00 N ATOM 1498 CA LEU A 101 11.923 3.413 -6.141 1.00 0.00 C ATOM 1499 C LEU A 101 12.584 3.458 -4.767 1.00 0.00 C ATOM 1500 O LEU A 101 13.004 4.519 -4.303 1.00 0.00 O ATOM 1501 CB LEU A 101 12.757 4.208 -7.147 1.00 0.00 C ATOM 1502 CG LEU A 101 14.243 3.855 -7.214 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.463 2.637 -8.099 1.00 0.00 C ATOM 1504 CD2 LEU A 101 15.050 5.040 -7.724 1.00 0.00 C ATOM 0 H LEU A 101 10.509 4.949 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 101 11.869 2.373 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.326 4.067 -8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.666 5.267 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 101 14.585 3.614 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.526 2.401 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.916 1.787 -7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.104 2.850 -9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 101 16.105 4.771 -7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.706 5.312 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.918 5.887 -7.051 1.00 0.00 H new ATOM 1516 N VAL A 102 12.676 2.300 -4.121 1.00 0.00 N ATOM 1517 CA VAL A 102 13.289 2.206 -2.802 1.00 0.00 C ATOM 1518 C VAL A 102 14.689 2.810 -2.803 1.00 0.00 C ATOM 1519 O VAL A 102 15.666 2.142 -3.144 1.00 0.00 O ATOM 1520 CB VAL A 102 13.373 0.744 -2.325 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.046 -0.124 -3.378 1.00 0.00 C ATOM 1522 CG2 VAL A 102 14.114 0.659 -0.999 1.00 0.00 C ATOM 0 H VAL A 102 12.333 1.413 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 102 12.654 2.768 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 102 12.360 0.370 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.096 -1.153 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.470 -0.087 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.055 0.245 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.164 -0.381 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.124 1.050 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.585 1.247 -0.248 1.00 0.00 H new ATOM 1532 N LYS A 103 14.780 4.079 -2.419 1.00 0.00 N ATOM 1533 CA LYS A 103 16.061 4.774 -2.373 1.00 0.00 C ATOM 1534 C LYS A 103 16.104 5.758 -1.208 1.00 0.00 C ATOM 1535 O LYS A 103 15.081 6.323 -0.823 1.00 0.00 O ATOM 1536 CB LYS A 103 16.310 5.515 -3.689 1.00 0.00 C ATOM 1537 CG LYS A 103 17.700 6.117 -3.794 1.00 0.00 C ATOM 1538 CD LYS A 103 18.719 5.088 -4.257 1.00 0.00 C ATOM 1539 CE LYS A 103 20.141 5.539 -3.960 1.00 0.00 C ATOM 1540 NZ LYS A 103 21.137 4.481 -4.284 1.00 0.00 N ATOM 0 H LYS A 103 13.982 4.647 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 103 16.845 4.030 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 103 16.158 4.825 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.570 6.309 -3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.683 6.954 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.999 6.516 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.527 4.136 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 103 18.606 4.919 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 103 20.365 6.437 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 103 20.225 5.806 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 22.094 4.827 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 20.939 3.632 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 21.075 4.244 -5.295 1.00 0.00 H new ATOM 1554 N GLU A 104 17.295 5.957 -0.651 1.00 0.00 N ATOM 1555 CA GLU A 104 17.470 6.874 0.469 1.00 0.00 C ATOM 1556 C GLU A 104 17.829 8.273 -0.022 1.00 0.00 C ATOM 1557 O GLU A 104 18.217 8.456 -1.176 1.00 0.00 O ATOM 1558 CB GLU A 104 18.559 6.358 1.413 1.00 0.00 C ATOM 1559 CG GLU A 104 18.665 7.146 2.708 1.00 0.00 C ATOM 1560 CD GLU A 104 19.502 8.402 2.559 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.353 8.444 1.646 1.00 0.00 O ATOM 1562 OE2 GLU A 104 19.305 9.343 3.356 1.00 0.00 O ATOM 0 H GLU A 104 18.152 5.496 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 104 16.525 6.930 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.358 5.313 1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 104 19.519 6.390 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.665 7.418 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 104 19.101 6.512 3.480 1.00 0.00 H new