USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 616 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 49 ASN : amide:sc= 0.2 K(o=0.73,f=0.04) USER MOD Set 1.2: A 51 SER OG : rot 59:sc= 0.535 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00769) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0343 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -64:sc= 0.161 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00782 USER MOD Single : A 11 SER OG : rot 1:sc= 0.991 USER MOD Single : A 26 SER OG : rot 82:sc= 0.927 USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.75) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.771 USER MOD Single : A 48 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot -62:sc= 0.752 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0193) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.229 F(o=-1.7!,f=-0.23) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 76:sc= -4.52! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.902 3.715 -0.865 1.00 0.00 N ATOM 2 CA MET A 1 -13.100 2.460 -0.797 1.00 0.00 C ATOM 3 C MET A 1 -12.026 2.615 0.281 1.00 0.00 C ATOM 4 O MET A 1 -11.430 3.683 0.415 1.00 0.00 O ATOM 5 CB MET A 1 -12.459 2.218 -2.168 1.00 0.00 C ATOM 6 CG MET A 1 -11.575 0.972 -2.130 1.00 0.00 C ATOM 7 SD MET A 1 -11.270 0.411 -3.826 1.00 0.00 S ATOM 8 CE MET A 1 -9.982 1.608 -4.251 1.00 0.00 C ATOM 0 H1 MET A 1 -14.095 3.950 -1.860 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.801 3.580 -0.360 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.370 4.491 -0.423 1.00 0.00 H new ATOM 0 HA MET A 1 -13.731 1.609 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.235 2.098 -2.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.865 3.085 -2.457 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.631 1.195 -1.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.060 0.184 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.611 1.402 -5.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.396 2.616 -4.217 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.162 1.529 -3.537 1.00 0.00 H new ATOM 20 N ARG A 2 -11.780 1.547 1.046 1.00 0.00 N ATOM 21 CA ARG A 2 -10.764 1.582 2.113 1.00 0.00 C ATOM 22 C ARG A 2 -9.742 0.464 1.921 1.00 0.00 C ATOM 23 O ARG A 2 -10.103 -0.681 1.648 1.00 0.00 O ATOM 24 CB ARG A 2 -11.432 1.430 3.482 1.00 0.00 C ATOM 25 CG ARG A 2 -12.231 2.694 3.805 1.00 0.00 C ATOM 26 CD ARG A 2 -12.897 2.541 5.173 1.00 0.00 C ATOM 27 NE ARG A 2 -13.655 3.742 5.499 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.340 3.835 6.633 1.00 0.00 C ATOM 29 NH1 ARG A 2 -13.710 3.854 7.777 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.642 3.907 6.603 1.00 0.00 N ATOM 0 H ARG A 2 -12.263 0.654 0.951 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.251 2.543 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.090 0.561 3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.677 1.258 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.573 3.563 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -12.986 2.865 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.558 1.674 5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.140 2.361 5.936 1.00 0.00 H new ATOM 0 HE ARG A 2 -13.660 4.525 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.692 3.797 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.236 3.925 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -16.133 3.892 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.169 3.978 7.473 1.00 0.00 H new ATOM 44 N ILE A 3 -8.465 0.811 2.049 1.00 0.00 N ATOM 45 CA ILE A 3 -7.377 -0.159 1.870 1.00 0.00 C ATOM 46 C ILE A 3 -6.546 -0.281 3.145 1.00 0.00 C ATOM 47 O ILE A 3 -6.040 0.721 3.651 1.00 0.00 O ATOM 48 CB ILE A 3 -6.458 0.325 0.751 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.255 0.453 -0.553 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.321 -0.681 0.559 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.476 1.318 -1.546 1.00 0.00 C ATOM 0 H ILE A 3 -8.153 1.755 2.276 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.814 -1.128 1.628 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.045 1.298 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.437 -0.534 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.230 0.898 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.663 -0.338 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.753 -0.769 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.736 -1.653 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.043 1.409 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.317 2.308 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.512 0.854 -1.754 1.00 0.00 H new ATOM 63 N GLU A 4 -6.402 -1.504 3.660 1.00 0.00 N ATOM 64 CA GLU A 4 -5.614 -1.728 4.885 1.00 0.00 C ATOM 65 C GLU A 4 -4.489 -2.738 4.638 1.00 0.00 C ATOM 66 O GLU A 4 -4.718 -3.826 4.112 1.00 0.00 O ATOM 67 CB GLU A 4 -6.532 -2.222 6.013 1.00 0.00 C ATOM 68 CG GLU A 4 -5.724 -2.453 7.297 1.00 0.00 C ATOM 69 CD GLU A 4 -6.647 -2.933 8.414 1.00 0.00 C ATOM 70 OE1 GLU A 4 -7.851 -2.891 8.220 1.00 0.00 O ATOM 71 OE2 GLU A 4 -6.136 -3.331 9.448 1.00 0.00 O ATOM 0 H GLU A 4 -6.812 -2.347 3.258 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.160 -0.782 5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.319 -1.490 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.022 -3.148 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.942 -3.191 7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.228 -1.530 7.595 1.00 0.00 H new ATOM 78 N VAL A 5 -3.265 -2.349 5.016 1.00 0.00 N ATOM 79 CA VAL A 5 -2.086 -3.215 4.828 1.00 0.00 C ATOM 80 C VAL A 5 -1.415 -3.539 6.166 1.00 0.00 C ATOM 81 O VAL A 5 -1.186 -2.653 6.987 1.00 0.00 O ATOM 82 CB VAL A 5 -1.068 -2.522 3.922 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.019 -3.522 3.520 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.767 -1.972 2.670 1.00 0.00 C ATOM 0 H VAL A 5 -3.062 -1.449 5.451 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.427 -4.144 4.370 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.612 -1.691 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.746 -3.029 2.874 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.521 -3.893 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.434 -4.357 2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.034 -1.480 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.233 -2.792 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.531 -1.253 2.966 1.00 0.00 H new ATOM 94 N THR A 6 -1.097 -4.823 6.374 1.00 0.00 N ATOM 95 CA THR A 6 -0.438 -5.273 7.612 1.00 0.00 C ATOM 96 C THR A 6 0.888 -5.952 7.299 1.00 0.00 C ATOM 97 O THR A 6 0.992 -6.752 6.370 1.00 0.00 O ATOM 98 CB THR A 6 -1.347 -6.245 8.355 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.793 -7.241 7.451 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.547 -5.487 8.922 1.00 0.00 C ATOM 0 H THR A 6 -1.284 -5.569 5.704 1.00 0.00 H new ATOM 0 HA THR A 6 -0.245 -4.402 8.238 1.00 0.00 H new ATOM 0 HB THR A 6 -0.800 -6.713 9.174 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.343 -6.827 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.198 -6.181 9.454 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.199 -4.717 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.101 -5.022 8.107 1.00 0.00 H new ATOM 108 N ILE A 7 1.898 -5.624 8.101 1.00 0.00 N ATOM 109 CA ILE A 7 3.240 -6.184 7.960 1.00 0.00 C ATOM 110 C ILE A 7 3.630 -6.958 9.225 1.00 0.00 C ATOM 111 O ILE A 7 3.448 -6.472 10.342 1.00 0.00 O ATOM 112 CB ILE A 7 4.212 -5.019 7.716 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.137 -4.606 6.234 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.662 -5.416 8.075 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.781 -3.231 6.036 1.00 0.00 C ATOM 0 H ILE A 7 1.809 -4.960 8.870 1.00 0.00 H new ATOM 0 HA ILE A 7 3.275 -6.882 7.124 1.00 0.00 H new ATOM 0 HB ILE A 7 3.925 -4.184 8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.645 -5.346 5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.097 -4.579 5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.326 -4.572 7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.713 -5.696 9.127 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.971 -6.261 7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.722 -2.950 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.254 -2.492 6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.826 -3.271 6.343 1.00 0.00 H new ATOM 127 N ALA A 8 4.162 -8.167 9.041 1.00 0.00 N ATOM 128 CA ALA A 8 4.569 -9.005 10.167 1.00 0.00 C ATOM 129 C ALA A 8 5.739 -8.392 10.916 1.00 0.00 C ATOM 130 O ALA A 8 6.710 -7.903 10.338 1.00 0.00 O ATOM 131 CB ALA A 8 4.972 -10.383 9.649 1.00 0.00 C ATOM 0 H ALA A 8 4.320 -8.586 8.125 1.00 0.00 H new ATOM 0 HA ALA A 8 3.727 -9.088 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.276 -11.012 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.125 -10.842 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.803 -10.281 8.951 1.00 0.00 H new ATOM 137 N LYS A 9 5.590 -8.438 12.231 1.00 0.00 N ATOM 138 CA LYS A 9 6.580 -7.902 13.150 1.00 0.00 C ATOM 139 C LYS A 9 7.929 -8.598 12.972 1.00 0.00 C ATOM 140 O LYS A 9 8.970 -8.007 13.259 1.00 0.00 O ATOM 141 CB LYS A 9 6.110 -8.016 14.612 1.00 0.00 C ATOM 142 CG LYS A 9 4.996 -7.010 14.966 1.00 0.00 C ATOM 143 CD LYS A 9 4.599 -7.202 16.432 1.00 0.00 C ATOM 144 CE LYS A 9 3.453 -6.251 16.783 1.00 0.00 C ATOM 145 NZ LYS A 9 3.007 -6.504 18.182 1.00 0.00 N ATOM 0 H LYS A 9 4.778 -8.849 12.691 1.00 0.00 H new ATOM 0 HA LYS A 9 6.702 -6.845 12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.749 -9.028 14.794 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.960 -7.856 15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.343 -5.990 14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.132 -7.162 14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.294 -8.234 16.604 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.455 -7.010 17.079 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.779 -5.216 16.676 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.622 -6.396 16.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.228 -5.857 18.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.680 -7.487 18.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.801 -6.344 18.834 1.00 0.00 H new ATOM 159 N THR A 10 7.925 -9.833 12.471 1.00 0.00 N ATOM 160 CA THR A 10 9.174 -10.547 12.238 1.00 0.00 C ATOM 161 C THR A 10 10.017 -9.777 11.224 1.00 0.00 C ATOM 162 O THR A 10 11.203 -10.061 11.056 1.00 0.00 O ATOM 163 CB THR A 10 8.887 -11.951 11.694 1.00 0.00 C ATOM 164 OG1 THR A 10 7.930 -11.865 10.647 1.00 0.00 O ATOM 165 CG2 THR A 10 8.348 -12.847 12.813 1.00 0.00 C ATOM 0 H THR A 10 7.082 -10.351 12.223 1.00 0.00 H new ATOM 0 HA THR A 10 9.714 -10.633 13.181 1.00 0.00 H new ATOM 0 HB THR A 10 9.811 -12.383 11.309 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.747 -12.762 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.147 -13.842 12.417 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.087 -12.916 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.426 -12.421 13.208 1.00 0.00 H new ATOM 173 N SER A 11 9.401 -8.811 10.536 1.00 0.00 N ATOM 174 CA SER A 11 10.110 -8.014 9.521 1.00 0.00 C ATOM 175 C SER A 11 10.039 -6.514 9.835 1.00 0.00 C ATOM 176 O SER A 11 9.222 -5.796 9.261 1.00 0.00 O ATOM 177 CB SER A 11 9.481 -8.265 8.150 1.00 0.00 C ATOM 178 OG SER A 11 8.100 -7.935 8.199 1.00 0.00 O ATOM 0 H SER A 11 8.420 -8.560 10.659 1.00 0.00 H new ATOM 0 HA SER A 11 11.157 -8.318 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.983 -7.665 7.391 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.607 -9.310 7.865 1.00 0.00 H new ATOM 0 HG SER A 11 7.874 -7.604 9.093 1.00 0.00 H new ATOM 184 N PRO A 12 10.881 -6.030 10.721 1.00 0.00 N ATOM 185 CA PRO A 12 10.923 -4.589 11.106 1.00 0.00 C ATOM 186 C PRO A 12 11.551 -3.673 10.041 1.00 0.00 C ATOM 187 O PRO A 12 12.610 -3.979 9.492 1.00 0.00 O ATOM 188 CB PRO A 12 11.697 -4.552 12.444 1.00 0.00 C ATOM 189 CG PRO A 12 12.063 -5.984 12.759 1.00 0.00 C ATOM 190 CD PRO A 12 11.892 -6.790 11.466 1.00 0.00 C ATOM 0 HA PRO A 12 9.913 -4.191 11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.589 -3.932 12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.084 -4.124 13.237 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.090 -6.048 13.120 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.423 -6.380 13.547 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.828 -6.864 10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.560 -7.808 11.668 1.00 0.00 H new ATOM 198 N LEU A 13 10.896 -2.533 9.779 1.00 0.00 N ATOM 199 CA LEU A 13 11.395 -1.552 8.807 1.00 0.00 C ATOM 200 C LEU A 13 11.962 -0.340 9.563 1.00 0.00 C ATOM 201 O LEU A 13 11.487 -0.023 10.653 1.00 0.00 O ATOM 202 CB LEU A 13 10.251 -1.107 7.887 1.00 0.00 C ATOM 203 CG LEU A 13 9.556 -2.335 7.266 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.525 -1.879 6.221 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.592 -3.249 6.586 1.00 0.00 C ATOM 0 H LEU A 13 10.019 -2.268 10.227 1.00 0.00 H new ATOM 0 HA LEU A 13 12.180 -2.002 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.528 -0.519 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.639 -0.463 7.098 1.00 0.00 H new ATOM 0 HG LEU A 13 9.055 -2.888 8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.038 -2.751 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.777 -1.246 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.028 -1.315 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.087 -4.112 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.105 -2.695 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.319 -3.588 7.324 1.00 0.00 H new ATOM 217 N PRO A 14 12.974 0.327 9.043 1.00 0.00 N ATOM 218 CA PRO A 14 13.586 1.491 9.748 1.00 0.00 C ATOM 219 C PRO A 14 12.531 2.485 10.258 1.00 0.00 C ATOM 220 O PRO A 14 11.445 2.618 9.695 1.00 0.00 O ATOM 221 CB PRO A 14 14.552 2.131 8.727 1.00 0.00 C ATOM 222 CG PRO A 14 14.443 1.321 7.453 1.00 0.00 C ATOM 223 CD PRO A 14 13.645 0.044 7.766 1.00 0.00 C ATOM 0 HA PRO A 14 14.115 1.176 10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.288 3.173 8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.575 2.122 9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.945 1.900 6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.434 1.068 7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.923 -0.175 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.301 -0.823 7.847 1.00 0.00 H new ATOM 231 N ALA A 15 12.888 3.142 11.360 1.00 0.00 N ATOM 232 CA ALA A 15 12.028 4.116 12.040 1.00 0.00 C ATOM 233 C ALA A 15 11.580 5.272 11.137 1.00 0.00 C ATOM 234 O ALA A 15 11.682 6.434 11.529 1.00 0.00 O ATOM 235 CB ALA A 15 12.800 4.696 13.226 1.00 0.00 C ATOM 0 H ALA A 15 13.793 3.013 11.813 1.00 0.00 H new ATOM 0 HA ALA A 15 11.127 3.588 12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.176 5.424 13.745 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.069 3.893 13.912 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.705 5.185 12.867 1.00 0.00 H new ATOM 241 N GLY A 16 11.086 4.971 9.941 1.00 0.00 N ATOM 242 CA GLY A 16 10.639 6.026 9.033 1.00 0.00 C ATOM 243 C GLY A 16 10.012 5.447 7.772 1.00 0.00 C ATOM 244 O GLY A 16 9.336 6.146 7.017 1.00 0.00 O ATOM 0 H GLY A 16 10.985 4.022 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.915 6.663 9.541 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.485 6.658 8.763 1.00 0.00 H new ATOM 248 N ALA A 17 10.303 4.177 7.525 1.00 0.00 N ATOM 249 CA ALA A 17 9.835 3.508 6.318 1.00 0.00 C ATOM 250 C ALA A 17 8.321 3.270 6.252 1.00 0.00 C ATOM 251 O ALA A 17 7.724 3.432 5.188 1.00 0.00 O ATOM 252 CB ALA A 17 10.616 2.199 6.102 1.00 0.00 C ATOM 0 H ALA A 17 10.861 3.589 8.144 1.00 0.00 H new ATOM 0 HA ALA A 17 10.036 4.200 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.258 1.707 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.678 2.422 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.465 1.540 6.957 1.00 0.00 H new ATOM 258 N ILE A 18 7.698 2.890 7.352 1.00 0.00 N ATOM 259 CA ILE A 18 6.257 2.650 7.318 1.00 0.00 C ATOM 260 C ILE A 18 5.519 3.921 6.905 1.00 0.00 C ATOM 261 O ILE A 18 4.683 3.900 6.003 1.00 0.00 O ATOM 262 CB ILE A 18 5.767 2.175 8.689 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.296 0.747 8.962 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.231 2.198 8.738 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.361 -0.322 8.375 1.00 0.00 C ATOM 0 H ILE A 18 8.145 2.743 8.257 1.00 0.00 H new ATOM 0 HA ILE A 18 6.050 1.872 6.584 1.00 0.00 H new ATOM 0 HB ILE A 18 6.146 2.846 9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.291 0.638 8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.396 0.594 10.037 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.893 1.858 9.717 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.877 3.214 8.564 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.832 1.538 7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.764 -1.313 8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.373 -0.228 8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.282 -0.184 7.297 1.00 0.00 H new ATOM 277 N ASP A 19 5.844 5.025 7.563 1.00 0.00 N ATOM 278 CA ASP A 19 5.207 6.292 7.232 1.00 0.00 C ATOM 279 C ASP A 19 5.492 6.637 5.778 1.00 0.00 C ATOM 280 O ASP A 19 4.608 7.123 5.071 1.00 0.00 O ATOM 281 CB ASP A 19 5.648 7.406 8.181 1.00 0.00 C ATOM 282 CG ASP A 19 5.057 7.162 9.567 1.00 0.00 C ATOM 283 OD1 ASP A 19 4.067 6.455 9.649 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.604 7.684 10.525 1.00 0.00 O ATOM 0 H ASP A 19 6.531 5.071 8.315 1.00 0.00 H new ATOM 0 HA ASP A 19 4.129 6.191 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.736 7.438 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.320 8.373 7.800 1.00 0.00 H new ATOM 289 N ALA A 20 6.717 6.383 5.319 1.00 0.00 N ATOM 290 CA ALA A 20 7.049 6.679 3.932 1.00 0.00 C ATOM 291 C ALA A 20 6.218 5.806 2.990 1.00 0.00 C ATOM 292 O ALA A 20 5.743 6.267 1.951 1.00 0.00 O ATOM 293 CB ALA A 20 8.550 6.483 3.674 1.00 0.00 C ATOM 0 H ALA A 20 7.475 5.984 5.872 1.00 0.00 H new ATOM 0 HA ALA A 20 6.810 7.724 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.773 6.710 2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.120 7.150 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.824 5.450 3.887 1.00 0.00 H new ATOM 299 N LEU A 21 6.050 4.542 3.368 1.00 0.00 N ATOM 300 CA LEU A 21 5.288 3.585 2.588 1.00 0.00 C ATOM 301 C LEU A 21 3.827 4.002 2.443 1.00 0.00 C ATOM 302 O LEU A 21 3.279 4.020 1.340 1.00 0.00 O ATOM 303 CB LEU A 21 5.427 2.217 3.276 1.00 0.00 C ATOM 304 CG LEU A 21 4.471 1.186 2.682 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.753 0.993 1.191 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.674 -0.150 3.400 1.00 0.00 C ATOM 0 H LEU A 21 6.442 4.156 4.227 1.00 0.00 H new ATOM 0 HA LEU A 21 5.678 3.536 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.453 1.862 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.229 2.324 4.343 1.00 0.00 H new ATOM 0 HG LEU A 21 3.447 1.537 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.063 0.255 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.620 1.941 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.777 0.645 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.995 -0.894 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.703 -0.482 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.468 -0.027 4.463 1.00 0.00 H new ATOM 318 N ALA A 22 3.208 4.340 3.568 1.00 0.00 N ATOM 319 CA ALA A 22 1.815 4.761 3.568 1.00 0.00 C ATOM 320 C ALA A 22 1.657 5.997 2.686 1.00 0.00 C ATOM 321 O ALA A 22 0.649 6.139 1.994 1.00 0.00 O ATOM 322 CB ALA A 22 1.349 5.066 4.994 1.00 0.00 C ATOM 0 H ALA A 22 3.648 4.330 4.488 1.00 0.00 H new ATOM 0 HA ALA A 22 1.199 3.954 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.305 5.379 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.449 4.171 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.961 5.865 5.414 1.00 0.00 H new ATOM 328 N GLY A 23 2.645 6.874 2.689 1.00 0.00 N ATOM 329 CA GLY A 23 2.594 8.075 1.858 1.00 0.00 C ATOM 330 C GLY A 23 2.739 7.736 0.376 1.00 0.00 C ATOM 331 O GLY A 23 1.998 8.268 -0.450 1.00 0.00 O ATOM 0 H GLY A 23 3.490 6.783 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.649 8.593 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.389 8.759 2.156 1.00 0.00 H new ATOM 335 N GLU A 24 3.688 6.869 0.022 1.00 0.00 N ATOM 336 CA GLU A 24 3.865 6.528 -1.389 1.00 0.00 C ATOM 337 C GLU A 24 2.626 5.811 -1.927 1.00 0.00 C ATOM 338 O GLU A 24 2.205 6.056 -3.058 1.00 0.00 O ATOM 339 CB GLU A 24 5.129 5.672 -1.582 1.00 0.00 C ATOM 340 CG GLU A 24 5.405 5.491 -3.078 1.00 0.00 C ATOM 341 CD GLU A 24 5.844 6.816 -3.693 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.368 7.641 -2.963 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.636 6.991 -4.883 1.00 0.00 O ATOM 0 H GLU A 24 4.326 6.404 0.668 1.00 0.00 H new ATOM 0 HA GLU A 24 3.993 7.450 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.981 6.151 -1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.998 4.700 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.180 4.739 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.508 5.127 -3.580 1.00 0.00 H new ATOM 350 N LEU A 25 2.057 4.920 -1.131 1.00 0.00 N ATOM 351 CA LEU A 25 0.880 4.178 -1.577 1.00 0.00 C ATOM 352 C LEU A 25 -0.327 5.085 -1.808 1.00 0.00 C ATOM 353 O LEU A 25 -1.057 4.915 -2.779 1.00 0.00 O ATOM 354 CB LEU A 25 0.498 3.095 -0.563 1.00 0.00 C ATOM 355 CG LEU A 25 1.551 1.978 -0.554 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.265 1.036 0.619 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.526 1.180 -1.879 1.00 0.00 C ATOM 0 H LEU A 25 2.380 4.693 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 25 1.153 3.718 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.413 3.532 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.479 2.681 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 25 2.539 2.426 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.008 0.238 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.312 1.594 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.271 0.604 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.282 0.395 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.542 0.731 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.736 1.851 -2.712 1.00 0.00 H new ATOM 369 N SER A 26 -0.541 6.038 -0.914 1.00 0.00 N ATOM 370 CA SER A 26 -1.682 6.938 -1.042 1.00 0.00 C ATOM 371 C SER A 26 -1.634 7.730 -2.348 1.00 0.00 C ATOM 372 O SER A 26 -2.646 7.844 -3.041 1.00 0.00 O ATOM 373 CB SER A 26 -1.698 7.912 0.136 1.00 0.00 C ATOM 374 OG SER A 26 -1.911 7.188 1.340 1.00 0.00 O ATOM 0 H SER A 26 0.051 6.209 -0.101 1.00 0.00 H new ATOM 0 HA SER A 26 -2.587 6.331 -1.046 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.754 8.455 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.485 8.653 -0.001 1.00 0.00 H new ATOM 0 HG SER A 26 -1.063 6.802 1.644 1.00 0.00 H new ATOM 380 N ARG A 27 -0.475 8.286 -2.685 1.00 0.00 N ATOM 381 CA ARG A 27 -0.363 9.062 -3.918 1.00 0.00 C ATOM 382 C ARG A 27 -0.703 8.187 -5.128 1.00 0.00 C ATOM 383 O ARG A 27 -1.380 8.632 -6.054 1.00 0.00 O ATOM 384 CB ARG A 27 1.050 9.628 -4.074 1.00 0.00 C ATOM 385 CG ARG A 27 1.292 10.709 -3.019 1.00 0.00 C ATOM 386 CD ARG A 27 2.703 11.274 -3.191 1.00 0.00 C ATOM 387 NE ARG A 27 2.976 12.278 -2.171 1.00 0.00 N ATOM 388 CZ ARG A 27 4.138 12.923 -2.135 1.00 0.00 C ATOM 389 NH1 ARG A 27 4.456 13.751 -3.093 1.00 0.00 N ATOM 390 NH2 ARG A 27 4.964 12.724 -1.146 1.00 0.00 N ATOM 0 H ARG A 27 0.383 8.218 -2.137 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.069 9.890 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.785 8.831 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.176 10.046 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.554 11.505 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.174 10.291 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.435 10.469 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.806 11.716 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 27 2.263 12.490 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.813 13.903 -3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.348 14.245 -3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.719 12.073 -0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.855 13.219 -1.119 1.00 0.00 H new ATOM 404 N ARG A 28 -0.232 6.945 -5.111 1.00 0.00 N ATOM 405 CA ARG A 28 -0.491 6.011 -6.208 1.00 0.00 C ATOM 406 C ARG A 28 -1.984 5.704 -6.344 1.00 0.00 C ATOM 407 O ARG A 28 -2.516 5.614 -7.450 1.00 0.00 O ATOM 408 CB ARG A 28 0.279 4.716 -5.945 1.00 0.00 C ATOM 409 CG ARG A 28 1.785 4.972 -6.094 1.00 0.00 C ATOM 410 CD ARG A 28 2.554 3.673 -5.830 1.00 0.00 C ATOM 411 NE ARG A 28 3.997 3.909 -5.898 1.00 0.00 N ATOM 412 CZ ARG A 28 4.659 3.823 -7.049 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.006 3.636 -8.162 1.00 0.00 N ATOM 414 NH2 ARG A 28 5.960 3.925 -7.066 1.00 0.00 N ATOM 0 H ARG A 28 0.330 6.559 -4.353 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.160 6.469 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.060 4.348 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.040 3.943 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.005 5.340 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.104 5.744 -5.394 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.290 3.280 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.268 2.919 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 28 4.505 4.144 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.989 3.556 -8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.512 3.570 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.472 4.071 -6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.465 3.859 -7.950 1.00 0.00 H new ATOM 428 N ILE A 29 -2.644 5.539 -5.199 1.00 0.00 N ATOM 429 CA ILE A 29 -4.075 5.230 -5.175 1.00 0.00 C ATOM 430 C ILE A 29 -4.910 6.381 -5.734 1.00 0.00 C ATOM 431 O ILE A 29 -5.821 6.171 -6.532 1.00 0.00 O ATOM 432 CB ILE A 29 -4.512 4.906 -3.733 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.918 3.549 -3.287 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.043 4.863 -3.628 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.407 2.387 -4.173 1.00 0.00 C ATOM 0 H ILE A 29 -2.213 5.614 -4.277 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.245 4.362 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.139 5.693 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.830 3.600 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.194 3.356 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.331 4.633 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.455 5.832 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.432 4.094 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.966 1.453 -3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.493 2.318 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.108 2.566 -5.206 1.00 0.00 H new ATOM 447 N GLN A 30 -4.586 7.587 -5.313 1.00 0.00 N ATOM 448 CA GLN A 30 -5.310 8.767 -5.779 1.00 0.00 C ATOM 449 C GLN A 30 -5.154 8.946 -7.279 1.00 0.00 C ATOM 450 O GLN A 30 -6.122 9.288 -7.957 1.00 0.00 O ATOM 451 CB GLN A 30 -4.819 10.028 -5.047 1.00 0.00 C ATOM 452 CG GLN A 30 -5.318 10.053 -3.591 1.00 0.00 C ATOM 453 CD GLN A 30 -4.811 11.314 -2.902 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.623 12.397 -3.603 1.00 0.00 O flip ATOM 455 NE2 GLN A 30 -4.583 11.312 -1.692 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.833 7.782 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.367 8.618 -5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.730 10.060 -5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.171 10.917 -5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.407 10.026 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.966 9.169 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.731 10.463 -1.147 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.246 12.159 -1.235 1.00 0.00 H new ATOM 464 N TYR A 31 -3.959 8.720 -7.819 1.00 0.00 N ATOM 465 CA TYR A 31 -3.758 8.872 -9.247 1.00 0.00 C ATOM 466 C TYR A 31 -4.561 7.805 -9.991 1.00 0.00 C ATOM 467 O TYR A 31 -5.152 8.077 -11.036 1.00 0.00 O ATOM 468 CB TYR A 31 -2.273 8.773 -9.599 1.00 0.00 C ATOM 469 CG TYR A 31 -2.100 8.935 -11.090 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.122 10.216 -11.657 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.917 7.813 -11.905 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.961 10.374 -13.038 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.756 7.971 -13.287 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.777 9.252 -13.853 1.00 0.00 C ATOM 475 OH TYR A 31 -1.618 9.407 -15.214 1.00 0.00 O ATOM 0 H TYR A 31 -3.131 8.436 -7.295 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.107 9.859 -9.552 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.710 9.543 -9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.875 7.810 -9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.263 11.082 -11.028 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.900 6.825 -11.469 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.979 11.362 -13.474 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.616 7.105 -13.917 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.500 8.528 -15.632 1.00 0.00 H new ATOM 485 N ALA A 32 -4.576 6.592 -9.449 1.00 0.00 N ATOM 486 CA ALA A 32 -5.305 5.488 -10.068 1.00 0.00 C ATOM 487 C ALA A 32 -6.812 5.693 -9.973 1.00 0.00 C ATOM 488 O ALA A 32 -7.562 5.323 -10.877 1.00 0.00 O ATOM 489 CB ALA A 32 -4.940 4.181 -9.360 1.00 0.00 C ATOM 0 H ALA A 32 -4.093 6.347 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.026 5.448 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.482 3.355 -9.819 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.868 4.006 -9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.209 4.251 -8.306 1.00 0.00 H new ATOM 495 N PHE A 33 -7.246 6.275 -8.858 1.00 0.00 N ATOM 496 CA PHE A 33 -8.669 6.524 -8.618 1.00 0.00 C ATOM 497 C PHE A 33 -8.933 8.014 -8.422 1.00 0.00 C ATOM 498 O PHE A 33 -8.950 8.503 -7.293 1.00 0.00 O ATOM 499 CB PHE A 33 -9.101 5.761 -7.371 1.00 0.00 C ATOM 500 CG PHE A 33 -8.962 4.285 -7.640 1.00 0.00 C ATOM 501 CD1 PHE A 33 -9.996 3.589 -8.277 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.791 3.616 -7.269 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.856 2.223 -8.543 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.653 2.251 -7.533 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.684 1.555 -8.169 1.00 0.00 C ATOM 0 H PHE A 33 -6.633 6.584 -8.104 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.239 6.186 -9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.486 6.050 -6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.133 6.004 -7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.900 4.106 -8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.994 4.155 -6.779 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.651 1.684 -9.036 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.749 1.734 -7.245 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.577 0.500 -8.372 1.00 0.00 H new ATOM 515 N PRO A 34 -9.136 8.743 -9.491 1.00 0.00 N ATOM 516 CA PRO A 34 -9.398 10.206 -9.415 1.00 0.00 C ATOM 517 C PRO A 34 -10.787 10.547 -8.863 1.00 0.00 C ATOM 518 O PRO A 34 -11.007 11.633 -8.327 1.00 0.00 O ATOM 519 CB PRO A 34 -9.247 10.705 -10.880 1.00 0.00 C ATOM 520 CG PRO A 34 -8.880 9.508 -11.722 1.00 0.00 C ATOM 521 CD PRO A 34 -9.135 8.256 -10.878 1.00 0.00 C ATOM 0 HA PRO A 34 -8.706 10.687 -8.723 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.176 11.153 -11.232 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.477 11.474 -10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.476 9.484 -12.634 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.834 9.559 -12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.086 7.790 -11.136 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.360 7.506 -11.035 1.00 0.00 H new ATOM 529 N ASP A 35 -11.733 9.622 -9.056 1.00 0.00 N ATOM 530 CA ASP A 35 -13.127 9.837 -8.637 1.00 0.00 C ATOM 531 C ASP A 35 -13.494 9.180 -7.296 1.00 0.00 C ATOM 532 O ASP A 35 -14.623 9.364 -6.840 1.00 0.00 O ATOM 533 CB ASP A 35 -14.061 9.304 -9.728 1.00 0.00 C ATOM 534 CG ASP A 35 -13.803 7.819 -9.966 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.101 7.223 -9.168 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.306 7.303 -10.950 1.00 0.00 O ATOM 0 H ASP A 35 -11.562 8.719 -9.498 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.242 10.911 -8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.099 9.457 -9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.906 9.860 -10.653 1.00 0.00 H new ATOM 541 N ASN A 36 -12.603 8.395 -6.673 1.00 0.00 N ATOM 542 CA ASN A 36 -12.963 7.721 -5.401 1.00 0.00 C ATOM 543 C ASN A 36 -11.965 7.992 -4.286 1.00 0.00 C ATOM 544 O ASN A 36 -10.762 7.826 -4.494 1.00 0.00 O ATOM 545 CB ASN A 36 -12.998 6.209 -5.633 1.00 0.00 C ATOM 546 CG ASN A 36 -13.983 5.878 -6.747 1.00 0.00 C ATOM 547 OD1 ASN A 36 -13.691 5.049 -7.608 1.00 0.00 O ATOM 548 ND2 ASN A 36 -15.135 6.489 -6.786 1.00 0.00 N ATOM 0 H ASN A 36 -11.658 8.210 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.933 8.115 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.003 5.850 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.289 5.698 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.798 6.280 -7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.373 7.175 -6.070 1.00 0.00 H new ATOM 555 N GLU A 37 -12.422 8.382 -3.104 1.00 0.00 N ATOM 556 CA GLU A 37 -11.513 8.632 -1.995 1.00 0.00 C ATOM 557 C GLU A 37 -10.823 7.339 -1.559 1.00 0.00 C ATOM 558 O GLU A 37 -11.484 6.373 -1.175 1.00 0.00 O ATOM 559 CB GLU A 37 -12.369 9.088 -0.798 1.00 0.00 C ATOM 560 CG GLU A 37 -13.207 10.335 -1.145 1.00 0.00 C ATOM 561 CD GLU A 37 -14.035 10.746 0.068 1.00 0.00 C ATOM 562 OE1 GLU A 37 -14.231 9.912 0.936 1.00 0.00 O ATOM 563 OE2 GLU A 37 -14.465 11.886 0.106 1.00 0.00 O ATOM 0 H GLU A 37 -13.408 8.531 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.769 9.368 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.030 8.277 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.722 9.308 0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.553 11.153 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.862 10.123 -1.990 1.00 0.00 H new ATOM 570 N GLY A 38 -9.499 7.341 -1.576 1.00 0.00 N ATOM 571 CA GLY A 38 -8.747 6.161 -1.127 1.00 0.00 C ATOM 572 C GLY A 38 -8.026 6.412 0.188 1.00 0.00 C ATOM 573 O GLY A 38 -7.249 7.363 0.268 1.00 0.00 O ATOM 0 H GLY A 38 -8.925 8.125 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.429 5.319 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.021 5.881 -1.891 1.00 0.00 H new ATOM 577 N HIS A 39 -8.239 5.578 1.216 1.00 0.00 N ATOM 578 CA HIS A 39 -7.539 5.773 2.495 1.00 0.00 C ATOM 579 C HIS A 39 -6.657 4.562 2.746 1.00 0.00 C ATOM 580 O HIS A 39 -7.141 3.430 2.723 1.00 0.00 O ATOM 581 CB HIS A 39 -8.551 5.909 3.635 1.00 0.00 C ATOM 582 CG HIS A 39 -9.245 7.239 3.535 1.00 0.00 C ATOM 583 ND1 HIS A 39 -10.414 7.414 2.811 1.00 0.00 N ATOM 584 CD2 HIS A 39 -8.941 8.470 4.061 1.00 0.00 C ATOM 585 CE1 HIS A 39 -10.767 8.708 2.921 1.00 0.00 C ATOM 586 NE2 HIS A 39 -9.903 9.396 3.672 1.00 0.00 N ATOM 0 H HIS A 39 -8.874 4.780 1.191 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.938 6.681 2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.281 5.101 3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.045 5.822 4.597 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.085 8.687 4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.643 9.138 2.458 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.941 10.387 3.909 1.00 0.00 H new ATOM 594 N VAL A 40 -5.365 4.783 2.946 1.00 0.00 N ATOM 595 CA VAL A 40 -4.430 3.687 3.150 1.00 0.00 C ATOM 596 C VAL A 40 -3.849 3.718 4.556 1.00 0.00 C ATOM 597 O VAL A 40 -3.346 4.748 5.007 1.00 0.00 O ATOM 598 CB VAL A 40 -3.309 3.815 2.122 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.323 2.661 2.302 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.904 3.770 0.702 1.00 0.00 C ATOM 0 H VAL A 40 -4.941 5.711 2.971 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.954 2.739 3.028 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.790 4.763 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.521 2.750 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.902 2.696 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.842 1.713 2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.103 3.861 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.424 2.823 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.607 4.593 0.576 1.00 0.00 H new ATOM 610 N SER A 41 -3.897 2.574 5.230 1.00 0.00 N ATOM 611 CA SER A 41 -3.343 2.460 6.583 1.00 0.00 C ATOM 612 C SER A 41 -2.334 1.328 6.636 1.00 0.00 C ATOM 613 O SER A 41 -2.546 0.266 6.050 1.00 0.00 O ATOM 614 CB SER A 41 -4.450 2.234 7.613 1.00 0.00 C ATOM 615 OG SER A 41 -5.219 3.423 7.745 1.00 0.00 O ATOM 0 H SER A 41 -4.310 1.715 4.868 1.00 0.00 H new ATOM 0 HA SER A 41 -2.842 3.396 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.088 1.407 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.017 1.959 8.575 1.00 0.00 H new ATOM 0 HG SER A 41 -5.931 3.281 8.403 1.00 0.00 H new ATOM 621 N VAL A 42 -1.244 1.555 7.367 1.00 0.00 N ATOM 622 CA VAL A 42 -0.207 0.535 7.521 1.00 0.00 C ATOM 623 C VAL A 42 0.103 0.358 8.999 1.00 0.00 C ATOM 624 O VAL A 42 0.386 1.325 9.707 1.00 0.00 O ATOM 625 CB VAL A 42 1.068 0.923 6.768 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.075 -0.224 6.853 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.746 1.218 5.300 1.00 0.00 C ATOM 0 H VAL A 42 -1.056 2.429 7.859 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.575 -0.401 7.101 1.00 0.00 H new ATOM 0 HB VAL A 42 1.492 1.819 7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.984 0.050 6.318 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.315 -0.421 7.898 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.645 -1.120 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.661 1.493 4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.314 0.331 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.033 2.041 5.242 1.00 0.00 H new ATOM 637 N ARG A 43 0.038 -0.892 9.462 1.00 0.00 N ATOM 638 CA ARG A 43 0.304 -1.195 10.866 1.00 0.00 C ATOM 639 C ARG A 43 0.923 -2.583 10.999 1.00 0.00 C ATOM 640 O ARG A 43 0.781 -3.417 10.105 1.00 0.00 O ATOM 641 CB ARG A 43 -1.003 -1.112 11.665 1.00 0.00 C ATOM 642 CG ARG A 43 -0.790 -1.621 13.094 1.00 0.00 C ATOM 643 CD ARG A 43 -2.030 -1.297 13.933 1.00 0.00 C ATOM 644 NE ARG A 43 -1.967 -1.975 15.224 1.00 0.00 N ATOM 645 CZ ARG A 43 -3.019 -2.004 16.038 1.00 0.00 C ATOM 646 NH1 ARG A 43 -3.834 -0.986 16.089 1.00 0.00 N ATOM 647 NH2 ARG A 43 -3.240 -3.053 16.784 1.00 0.00 N ATOM 0 H ARG A 43 -0.195 -1.703 8.889 1.00 0.00 H new ATOM 0 HA ARG A 43 1.010 -0.466 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.357 -0.081 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.775 -1.703 11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.611 -2.696 13.087 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.092 -1.154 13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.102 -0.220 14.085 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.929 -1.604 13.398 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.101 -2.435 15.507 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.665 -0.167 15.505 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.640 -1.009 16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.606 -3.851 16.743 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.047 -3.074 17.408 1.00 0.00 H new ATOM 661 N TYR A 44 1.590 -2.837 12.116 1.00 0.00 N ATOM 662 CA TYR A 44 2.195 -4.146 12.336 1.00 0.00 C ATOM 663 C TYR A 44 1.156 -5.110 12.898 1.00 0.00 C ATOM 664 O TYR A 44 0.332 -4.736 13.733 1.00 0.00 O ATOM 665 CB TYR A 44 3.359 -4.080 13.315 1.00 0.00 C ATOM 666 CG TYR A 44 4.457 -3.199 12.791 1.00 0.00 C ATOM 667 CD1 TYR A 44 4.467 -1.834 13.091 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.476 -3.759 12.021 1.00 0.00 C ATOM 669 CE1 TYR A 44 5.509 -1.027 12.625 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.516 -2.955 11.545 1.00 0.00 C ATOM 671 CZ TYR A 44 6.537 -1.588 11.850 1.00 0.00 C ATOM 672 OH TYR A 44 7.573 -0.797 11.399 1.00 0.00 O ATOM 0 H TYR A 44 1.726 -2.167 12.873 1.00 0.00 H new ATOM 0 HA TYR A 44 2.567 -4.492 11.371 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.010 -3.699 14.275 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.747 -5.083 13.492 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.672 -1.404 13.681 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.462 -4.814 11.792 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.523 0.027 12.861 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.302 -3.387 10.943 1.00 0.00 H new ATOM 0 HH TYR A 44 8.199 -1.343 10.879 1.00 0.00 H new ATOM 682 N ALA A 45 1.212 -6.360 12.438 1.00 0.00 N ATOM 683 CA ALA A 45 0.290 -7.401 12.889 1.00 0.00 C ATOM 684 C ALA A 45 1.057 -8.713 13.024 1.00 0.00 C ATOM 685 O ALA A 45 2.186 -8.817 12.551 1.00 0.00 O ATOM 686 CB ALA A 45 -0.856 -7.558 11.885 1.00 0.00 C ATOM 0 H ALA A 45 1.892 -6.677 11.748 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.135 -7.125 13.854 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.538 -8.336 12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.396 -6.615 11.798 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.451 -7.835 10.912 1.00 0.00 H new ATOM 692 N ALA A 46 0.467 -9.709 13.674 1.00 0.00 N ATOM 693 CA ALA A 46 1.163 -10.982 13.841 1.00 0.00 C ATOM 694 C ALA A 46 1.497 -11.585 12.478 1.00 0.00 C ATOM 695 O ALA A 46 2.434 -12.375 12.365 1.00 0.00 O ATOM 696 CB ALA A 46 0.329 -11.961 14.670 1.00 0.00 C ATOM 0 H ALA A 46 -0.466 -9.666 14.084 1.00 0.00 H new ATOM 0 HA ALA A 46 2.092 -10.793 14.379 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.872 -12.900 14.778 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.141 -11.535 15.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.620 -12.146 14.168 1.00 0.00 H new ATOM 702 N ALA A 47 0.719 -11.246 11.446 1.00 0.00 N ATOM 703 CA ALA A 47 0.955 -11.813 10.111 1.00 0.00 C ATOM 704 C ALA A 47 0.769 -10.790 8.995 1.00 0.00 C ATOM 705 O ALA A 47 -0.041 -9.869 9.110 1.00 0.00 O ATOM 706 CB ALA A 47 0.011 -12.992 9.876 1.00 0.00 C ATOM 0 H ALA A 47 -0.065 -10.596 11.503 1.00 0.00 H new ATOM 0 HA ALA A 47 1.994 -12.142 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.190 -13.409 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.191 -13.758 10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.022 -12.651 9.945 1.00 0.00 H new ATOM 712 N ASN A 48 1.478 -10.998 7.887 1.00 0.00 N ATOM 713 CA ASN A 48 1.334 -10.128 6.726 1.00 0.00 C ATOM 714 C ASN A 48 -0.034 -10.399 6.106 1.00 0.00 C ATOM 715 O ASN A 48 -0.362 -11.544 5.796 1.00 0.00 O ATOM 716 CB ASN A 48 2.435 -10.423 5.704 1.00 0.00 C ATOM 717 CG ASN A 48 2.432 -9.360 4.611 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.396 -8.165 4.904 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.482 -9.727 3.358 1.00 0.00 N ATOM 0 H ASN A 48 2.152 -11.755 7.771 1.00 0.00 H new ATOM 0 HA ASN A 48 1.419 -9.083 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.406 -10.444 6.199 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.280 -11.408 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.491 -9.023 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.512 -10.718 3.118 1.00 0.00 H new ATOM 726 N ASN A 49 -0.830 -9.351 5.915 1.00 0.00 N ATOM 727 CA ASN A 49 -2.156 -9.496 5.319 1.00 0.00 C ATOM 728 C ASN A 49 -2.552 -8.219 4.591 1.00 0.00 C ATOM 729 O ASN A 49 -2.159 -7.121 4.983 1.00 0.00 O ATOM 730 CB ASN A 49 -3.202 -9.808 6.394 1.00 0.00 C ATOM 731 CG ASN A 49 -4.582 -9.910 5.752 1.00 0.00 C ATOM 732 OD1 ASN A 49 -5.365 -8.961 5.810 1.00 0.00 O ATOM 733 ND2 ASN A 49 -4.926 -11.004 5.130 1.00 0.00 N ATOM 0 H ASN A 49 -0.581 -8.393 6.163 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.116 -10.322 4.609 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.954 -10.743 6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.201 -9.027 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.844 -11.074 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.277 -11.789 5.083 1.00 0.00 H new ATOM 740 N LEU A 50 -3.361 -8.372 3.545 1.00 0.00 N ATOM 741 CA LEU A 50 -3.855 -7.239 2.765 1.00 0.00 C ATOM 742 C LEU A 50 -5.374 -7.362 2.722 1.00 0.00 C ATOM 743 O LEU A 50 -5.896 -8.378 2.262 1.00 0.00 O ATOM 744 CB LEU A 50 -3.272 -7.304 1.348 1.00 0.00 C ATOM 745 CG LEU A 50 -3.760 -6.106 0.513 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.237 -4.793 1.111 1.00 0.00 C ATOM 747 CD2 LEU A 50 -3.261 -6.249 -0.935 1.00 0.00 C ATOM 0 H LEU A 50 -3.691 -9.279 3.215 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.560 -6.288 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.183 -7.303 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.570 -8.236 0.868 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.850 -6.089 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.589 -3.954 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.602 -4.687 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.147 -4.804 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.607 -5.400 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.171 -6.276 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.650 -7.172 -1.364 1.00 0.00 H new ATOM 759 N SER A 51 -6.092 -6.340 3.188 1.00 0.00 N ATOM 760 CA SER A 51 -7.559 -6.369 3.178 1.00 0.00 C ATOM 761 C SER A 51 -8.104 -5.160 2.424 1.00 0.00 C ATOM 762 O SER A 51 -7.708 -4.026 2.693 1.00 0.00 O ATOM 763 CB SER A 51 -8.076 -6.331 4.615 1.00 0.00 C ATOM 764 OG SER A 51 -7.649 -7.503 5.297 1.00 0.00 O ATOM 0 H SER A 51 -5.688 -5.487 3.575 1.00 0.00 H new ATOM 0 HA SER A 51 -7.891 -7.282 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.703 -5.443 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.164 -6.268 4.621 1.00 0.00 H new ATOM 0 HG SER A 51 -6.670 -7.546 5.291 1.00 0.00 H new ATOM 770 N VAL A 52 -9.036 -5.401 1.503 1.00 0.00 N ATOM 771 CA VAL A 52 -9.662 -4.321 0.739 1.00 0.00 C ATOM 772 C VAL A 52 -11.176 -4.391 0.916 1.00 0.00 C ATOM 773 O VAL A 52 -11.781 -5.433 0.666 1.00 0.00 O ATOM 774 CB VAL A 52 -9.312 -4.449 -0.744 1.00 0.00 C ATOM 775 CG1 VAL A 52 -10.027 -3.350 -1.530 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.800 -4.303 -0.926 1.00 0.00 C ATOM 0 H VAL A 52 -9.375 -6.334 1.267 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.292 -3.364 1.105 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.629 -5.425 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.779 -3.439 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.104 -3.452 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.708 -2.374 -1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.550 -4.394 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.482 -3.326 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.289 -5.084 -0.364 1.00 0.00 H new ATOM 786 N ILE A 53 -11.791 -3.285 1.344 1.00 0.00 N ATOM 787 CA ILE A 53 -13.246 -3.249 1.543 1.00 0.00 C ATOM 788 C ILE A 53 -13.884 -2.156 0.687 1.00 0.00 C ATOM 789 O ILE A 53 -13.450 -1.004 0.714 1.00 0.00 O ATOM 790 CB ILE A 53 -13.568 -2.992 3.019 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.935 -4.085 3.890 1.00 0.00 C ATOM 792 CG2 ILE A 53 -15.085 -3.013 3.214 1.00 0.00 C ATOM 793 CD1 ILE A 53 -13.031 -3.680 5.361 1.00 0.00 C ATOM 0 H ILE A 53 -11.312 -2.410 1.558 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.654 -4.214 1.242 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.167 -2.021 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.445 -5.035 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.892 -4.231 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -15.320 -2.831 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.542 -2.237 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.476 -3.987 2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.582 -4.455 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.502 -2.740 5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -14.078 -3.556 5.637 1.00 0.00 H new ATOM 805 N GLY A 54 -14.930 -2.522 -0.058 1.00 0.00 N ATOM 806 CA GLY A 54 -15.638 -1.558 -0.905 1.00 0.00 C ATOM 807 C GLY A 54 -15.102 -1.551 -2.336 1.00 0.00 C ATOM 808 O GLY A 54 -15.323 -0.588 -3.072 1.00 0.00 O ATOM 0 H GLY A 54 -15.303 -3.471 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.701 -1.798 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.542 -0.560 -0.477 1.00 0.00 H new ATOM 812 N ALA A 55 -14.375 -2.603 -2.728 1.00 0.00 N ATOM 813 CA ALA A 55 -13.790 -2.668 -4.078 1.00 0.00 C ATOM 814 C ALA A 55 -14.190 -3.947 -4.822 1.00 0.00 C ATOM 815 O ALA A 55 -14.645 -4.927 -4.233 1.00 0.00 O ATOM 816 CB ALA A 55 -12.258 -2.583 -3.967 1.00 0.00 C ATOM 0 H ALA A 55 -14.177 -3.413 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.176 -1.827 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.818 -2.631 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.979 -1.643 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.890 -3.416 -3.368 1.00 0.00 H new ATOM 822 N THR A 56 -13.961 -3.902 -6.134 1.00 0.00 N ATOM 823 CA THR A 56 -14.213 -4.998 -7.065 1.00 0.00 C ATOM 824 C THR A 56 -12.932 -5.788 -7.311 1.00 0.00 C ATOM 825 O THR A 56 -11.835 -5.342 -6.989 1.00 0.00 O ATOM 826 CB THR A 56 -14.668 -4.413 -8.408 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.566 -3.803 -9.060 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.764 -3.373 -8.167 1.00 0.00 C ATOM 0 H THR A 56 -13.582 -3.073 -6.592 1.00 0.00 H new ATOM 0 HA THR A 56 -14.975 -5.651 -6.640 1.00 0.00 H new ATOM 0 HB THR A 56 -15.060 -5.212 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.229 -3.064 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.087 -2.957 -9.121 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.612 -3.846 -7.671 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.375 -2.574 -7.536 1.00 0.00 H new ATOM 836 N LYS A 57 -13.099 -6.998 -7.829 1.00 0.00 N ATOM 837 CA LYS A 57 -11.977 -7.901 -8.062 1.00 0.00 C ATOM 838 C LYS A 57 -10.909 -7.320 -9.004 1.00 0.00 C ATOM 839 O LYS A 57 -9.718 -7.514 -8.761 1.00 0.00 O ATOM 840 CB LYS A 57 -12.504 -9.217 -8.660 1.00 0.00 C ATOM 841 CG LYS A 57 -13.503 -9.900 -7.706 1.00 0.00 C ATOM 842 CD LYS A 57 -13.999 -11.201 -8.340 1.00 0.00 C ATOM 843 CE LYS A 57 -14.993 -11.886 -7.398 1.00 0.00 C ATOM 844 NZ LYS A 57 -14.249 -12.557 -6.295 1.00 0.00 N ATOM 0 H LYS A 57 -14.006 -7.379 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.498 -8.063 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.988 -9.017 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.669 -9.889 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.025 -10.108 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.344 -9.236 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.475 -10.992 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.157 -11.864 -8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.688 -11.152 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.587 -12.616 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.910 -13.120 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.521 -13.181 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.796 -11.839 -5.694 1.00 0.00 H new ATOM 858 N GLU A 58 -11.302 -6.623 -10.068 1.00 0.00 N ATOM 859 CA GLU A 58 -10.314 -6.054 -11.000 1.00 0.00 C ATOM 860 C GLU A 58 -9.507 -4.912 -10.374 1.00 0.00 C ATOM 861 O GLU A 58 -8.300 -4.817 -10.599 1.00 0.00 O ATOM 862 CB GLU A 58 -11.017 -5.548 -12.273 1.00 0.00 C ATOM 863 CG GLU A 58 -11.413 -6.722 -13.182 1.00 0.00 C ATOM 864 CD GLU A 58 -10.169 -7.357 -13.794 1.00 0.00 C ATOM 865 OE1 GLU A 58 -9.137 -6.705 -13.800 1.00 0.00 O ATOM 866 OE2 GLU A 58 -10.271 -8.478 -14.266 1.00 0.00 O ATOM 0 H GLU A 58 -12.276 -6.438 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.616 -6.853 -11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.905 -4.977 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.356 -4.871 -12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.965 -7.466 -12.608 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.078 -6.372 -13.972 1.00 0.00 H new ATOM 873 N ASP A 59 -10.159 -4.043 -9.586 1.00 0.00 N ATOM 874 CA ASP A 59 -9.436 -2.936 -8.960 1.00 0.00 C ATOM 875 C ASP A 59 -8.389 -3.498 -8.011 1.00 0.00 C ATOM 876 O ASP A 59 -7.256 -3.020 -7.943 1.00 0.00 O ATOM 877 CB ASP A 59 -10.383 -2.001 -8.196 1.00 0.00 C ATOM 878 CG ASP A 59 -11.251 -2.772 -7.229 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.704 -3.424 -6.356 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.451 -2.673 -7.359 1.00 0.00 O ATOM 0 H ASP A 59 -11.156 -4.085 -9.374 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.957 -2.351 -9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.802 -1.256 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.013 -1.461 -8.903 1.00 0.00 H new ATOM 885 N LYS A 60 -8.798 -4.526 -7.285 1.00 0.00 N ATOM 886 CA LYS A 60 -7.913 -5.177 -6.334 1.00 0.00 C ATOM 887 C LYS A 60 -6.696 -5.790 -7.021 1.00 0.00 C ATOM 888 O LYS A 60 -5.587 -5.681 -6.500 1.00 0.00 O ATOM 889 CB LYS A 60 -8.673 -6.225 -5.516 1.00 0.00 C ATOM 890 CG LYS A 60 -7.714 -6.911 -4.535 1.00 0.00 C ATOM 891 CD LYS A 60 -8.513 -7.605 -3.423 1.00 0.00 C ATOM 892 CE LYS A 60 -9.338 -8.753 -4.012 1.00 0.00 C ATOM 893 NZ LYS A 60 -9.934 -9.555 -2.905 1.00 0.00 N ATOM 0 H LYS A 60 -9.735 -4.926 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.544 -4.412 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.490 -5.752 -4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.120 -6.965 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.100 -7.640 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.035 -6.176 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.835 -7.987 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.171 -6.887 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.125 -8.357 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.707 -9.386 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.494 -10.335 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.175 -9.943 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.549 -8.947 -2.328 1.00 0.00 H new ATOM 907 N GLN A 61 -6.862 -6.405 -8.193 1.00 0.00 N ATOM 908 CA GLN A 61 -5.703 -6.965 -8.880 1.00 0.00 C ATOM 909 C GLN A 61 -4.777 -5.819 -9.270 1.00 0.00 C ATOM 910 O GLN A 61 -3.560 -5.926 -9.127 1.00 0.00 O ATOM 911 CB GLN A 61 -6.140 -7.743 -10.123 1.00 0.00 C ATOM 912 CG GLN A 61 -6.877 -9.013 -9.693 1.00 0.00 C ATOM 913 CD GLN A 61 -5.911 -10.002 -9.044 1.00 0.00 C ATOM 914 OE1 GLN A 61 -4.630 -9.912 -9.280 1.00 0.00 O flip ATOM 915 NE2 GLN A 61 -6.339 -10.890 -8.308 1.00 0.00 N flip ATOM 0 H GLN A 61 -7.755 -6.525 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.181 -7.658 -8.220 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.789 -7.125 -10.743 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -5.271 -8.001 -10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.671 -8.759 -8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.352 -9.475 -10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.340 -10.961 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.693 -11.555 -7.883 1.00 0.00 H new ATOM 924 N ARG A 62 -5.353 -4.716 -9.772 1.00 0.00 N ATOM 925 CA ARG A 62 -4.542 -3.575 -10.179 1.00 0.00 C ATOM 926 C ARG A 62 -3.763 -3.068 -8.977 1.00 0.00 C ATOM 927 O ARG A 62 -2.564 -2.801 -9.069 1.00 0.00 O ATOM 928 CB ARG A 62 -5.425 -2.463 -10.760 1.00 0.00 C ATOM 929 CG ARG A 62 -4.570 -1.259 -11.180 1.00 0.00 C ATOM 930 CD ARG A 62 -5.483 -0.155 -11.719 1.00 0.00 C ATOM 931 NE ARG A 62 -4.694 1.006 -12.115 1.00 0.00 N ATOM 932 CZ ARG A 62 -4.074 1.053 -13.290 1.00 0.00 C ATOM 933 NH1 ARG A 62 -3.935 -0.034 -13.999 1.00 0.00 N ATOM 934 NH2 ARG A 62 -3.602 2.186 -13.734 1.00 0.00 N ATOM 0 H ARG A 62 -6.358 -4.597 -9.901 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.845 -3.885 -10.957 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.977 -2.842 -11.620 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.162 -2.152 -10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.997 -0.890 -10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.851 -1.557 -11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.049 -0.527 -12.573 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.207 0.132 -10.957 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.616 1.798 -11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.302 -0.920 -13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.459 0.002 -14.901 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.709 3.035 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.126 2.222 -14.636 1.00 0.00 H new ATOM 948 N ILE A 63 -4.443 -2.941 -7.850 1.00 0.00 N ATOM 949 CA ILE A 63 -3.777 -2.471 -6.648 1.00 0.00 C ATOM 950 C ILE A 63 -2.638 -3.415 -6.271 1.00 0.00 C ATOM 951 O ILE A 63 -1.540 -2.963 -5.947 1.00 0.00 O ATOM 952 CB ILE A 63 -4.762 -2.299 -5.494 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.682 -1.107 -5.781 1.00 0.00 C ATOM 954 CG2 ILE A 63 -3.999 -2.047 -4.187 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.843 -1.107 -4.786 1.00 0.00 C ATOM 0 H ILE A 63 -5.435 -3.152 -7.742 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.353 -1.488 -6.855 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.356 -3.207 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.122 -0.175 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.063 -1.165 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.709 -1.925 -3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.346 -2.894 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.399 -1.142 -4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.497 -0.259 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.408 -2.034 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.453 -1.028 -3.771 1.00 0.00 H new ATOM 967 N SER A 64 -2.874 -4.718 -6.357 1.00 0.00 N ATOM 968 CA SER A 64 -1.807 -5.668 -6.062 1.00 0.00 C ATOM 969 C SER A 64 -0.670 -5.398 -7.039 1.00 0.00 C ATOM 970 O SER A 64 0.490 -5.368 -6.632 1.00 0.00 O ATOM 971 CB SER A 64 -2.311 -7.104 -6.222 1.00 0.00 C ATOM 972 OG SER A 64 -1.256 -8.009 -5.925 1.00 0.00 O ATOM 0 H SER A 64 -3.767 -5.134 -6.621 1.00 0.00 H new ATOM 0 HA SER A 64 -1.466 -5.549 -5.034 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.156 -7.281 -5.556 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.668 -7.265 -7.239 1.00 0.00 H new ATOM 0 HG SER A 64 -1.577 -8.930 -6.025 1.00 0.00 H new ATOM 978 N GLU A 65 -0.976 -5.192 -8.335 1.00 0.00 N ATOM 979 CA GLU A 65 0.076 -4.927 -9.312 1.00 0.00 C ATOM 980 C GLU A 65 0.836 -3.659 -8.916 1.00 0.00 C ATOM 981 O GLU A 65 2.065 -3.625 -8.976 1.00 0.00 O ATOM 982 CB GLU A 65 -0.505 -4.784 -10.720 1.00 0.00 C ATOM 983 CG GLU A 65 -1.006 -6.142 -11.214 1.00 0.00 C ATOM 984 CD GLU A 65 -1.586 -6.002 -12.617 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.907 -4.887 -12.995 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.698 -7.010 -13.293 1.00 0.00 O ATOM 0 H GLU A 65 -1.923 -5.205 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 65 0.765 -5.772 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.324 -4.064 -10.714 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.255 -4.397 -11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.187 -6.861 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.765 -6.529 -10.534 1.00 0.00 H new ATOM 993 N ILE A 66 0.111 -2.625 -8.511 1.00 0.00 N ATOM 994 CA ILE A 66 0.753 -1.373 -8.111 1.00 0.00 C ATOM 995 C ILE A 66 1.700 -1.590 -6.931 1.00 0.00 C ATOM 996 O ILE A 66 2.829 -1.099 -6.930 1.00 0.00 O ATOM 997 CB ILE A 66 -0.311 -0.329 -7.752 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.049 0.089 -9.029 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.360 0.902 -7.130 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.266 0.953 -8.675 1.00 0.00 C ATOM 0 H ILE A 66 -0.907 -2.623 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 66 1.342 -1.009 -8.952 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.014 -0.756 -7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.376 0.645 -9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.369 -0.796 -9.580 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.400 1.641 -6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.895 0.607 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.062 1.333 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.783 1.245 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.944 0.383 -8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.936 1.846 -8.144 1.00 0.00 H new ATOM 1012 N LEU A 67 1.234 -2.326 -5.937 1.00 0.00 N ATOM 1013 CA LEU A 67 2.052 -2.590 -4.775 1.00 0.00 C ATOM 1014 C LEU A 67 3.310 -3.319 -5.216 1.00 0.00 C ATOM 1015 O LEU A 67 4.408 -3.014 -4.752 1.00 0.00 O ATOM 1016 CB LEU A 67 1.265 -3.445 -3.759 1.00 0.00 C ATOM 1017 CG LEU A 67 2.183 -4.011 -2.648 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.672 -2.894 -1.712 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.386 -5.037 -1.835 1.00 0.00 C ATOM 0 H LEU A 67 0.304 -2.745 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 67 2.325 -1.651 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.479 -2.840 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.775 -4.268 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 67 3.054 -4.475 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.315 -3.320 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.234 -2.158 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.815 -2.411 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.018 -5.447 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.518 -4.552 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.055 -5.843 -2.490 1.00 0.00 H new ATOM 1031 N GLN A 68 3.154 -4.259 -6.138 1.00 0.00 N ATOM 1032 CA GLN A 68 4.306 -4.984 -6.642 1.00 0.00 C ATOM 1033 C GLN A 68 5.287 -4.025 -7.323 1.00 0.00 C ATOM 1034 O GLN A 68 6.472 -4.018 -6.992 1.00 0.00 O ATOM 1035 CB GLN A 68 3.872 -6.079 -7.617 1.00 0.00 C ATOM 1036 CG GLN A 68 3.156 -7.187 -6.843 1.00 0.00 C ATOM 1037 CD GLN A 68 2.614 -8.234 -7.810 1.00 0.00 C ATOM 1038 OE1 GLN A 68 2.378 -7.936 -8.981 1.00 0.00 O ATOM 1039 NE2 GLN A 68 2.402 -9.450 -7.387 1.00 0.00 N ATOM 0 H GLN A 68 2.259 -4.532 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 68 4.808 -5.455 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.210 -5.664 -8.377 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.740 -6.485 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.845 -7.653 -6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.340 -6.764 -6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.599 -9.694 -6.416 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.040 -10.157 -8.027 1.00 0.00 H new ATOM 1048 N GLU A 69 4.810 -3.229 -8.283 1.00 0.00 N ATOM 1049 CA GLU A 69 5.688 -2.300 -8.996 1.00 0.00 C ATOM 1050 C GLU A 69 6.350 -1.277 -8.070 1.00 0.00 C ATOM 1051 O GLU A 69 7.549 -1.026 -8.182 1.00 0.00 O ATOM 1052 CB GLU A 69 4.893 -1.566 -10.078 1.00 0.00 C ATOM 1053 CG GLU A 69 4.525 -2.535 -11.206 1.00 0.00 C ATOM 1054 CD GLU A 69 5.767 -2.906 -12.011 1.00 0.00 C ATOM 1055 OE1 GLU A 69 6.737 -2.168 -11.941 1.00 0.00 O ATOM 1056 OE2 GLU A 69 5.727 -3.918 -12.692 1.00 0.00 O ATOM 0 H GLU A 69 3.835 -3.209 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 69 6.484 -2.895 -9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.989 -1.136 -9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.482 -0.739 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.072 -3.434 -10.789 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.783 -2.078 -11.860 1.00 0.00 H new ATOM 1063 N THR A 70 5.582 -0.684 -7.159 1.00 0.00 N ATOM 1064 CA THR A 70 6.147 0.303 -6.241 1.00 0.00 C ATOM 1065 C THR A 70 7.241 -0.341 -5.423 1.00 0.00 C ATOM 1066 O THR A 70 8.341 0.190 -5.266 1.00 0.00 O ATOM 1067 CB THR A 70 5.062 0.842 -5.316 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.029 1.431 -6.091 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.653 1.897 -4.375 1.00 0.00 C ATOM 0 H THR A 70 4.586 -0.864 -7.037 1.00 0.00 H new ATOM 0 HA THR A 70 6.561 1.131 -6.817 1.00 0.00 H new ATOM 0 HB THR A 70 4.657 0.020 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.476 0.726 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.871 2.277 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.444 1.447 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.064 2.718 -4.962 1.00 0.00 H new ATOM 1077 N TRP A 71 6.894 -1.502 -4.899 1.00 0.00 N ATOM 1078 CA TRP A 71 7.785 -2.281 -4.075 1.00 0.00 C ATOM 1079 C TRP A 71 9.055 -2.595 -4.857 1.00 0.00 C ATOM 1080 O TRP A 71 10.152 -2.557 -4.297 1.00 0.00 O ATOM 1081 CB TRP A 71 7.001 -3.524 -3.635 1.00 0.00 C ATOM 1082 CG TRP A 71 7.770 -4.396 -2.685 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.970 -5.723 -2.862 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.397 -4.060 -1.401 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.709 -6.215 -1.803 1.00 0.00 N ATOM 1086 CE2 TRP A 71 8.995 -5.233 -0.878 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.521 -2.869 -0.651 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.685 -5.228 0.335 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.213 -2.866 0.572 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.796 -4.042 1.062 1.00 0.00 C ATOM 0 H TRP A 71 5.978 -1.930 -5.037 1.00 0.00 H new ATOM 0 HA TRP A 71 8.116 -1.749 -3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.071 -3.211 -3.161 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.730 -4.106 -4.516 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.610 -6.305 -3.698 1.00 0.00 H new ATOM 0 HE1 TRP A 71 9.007 -7.187 -1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.081 -1.955 -1.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.131 -6.138 0.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.296 -1.950 1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.330 -4.031 2.001 1.00 0.00 H new ATOM 1101 N GLU A 72 8.925 -2.905 -6.136 1.00 0.00 N ATOM 1102 CA GLU A 72 10.084 -3.227 -6.971 1.00 0.00 C ATOM 1103 C GLU A 72 10.881 -1.977 -7.343 1.00 0.00 C ATOM 1104 O GLU A 72 12.024 -2.102 -7.783 1.00 0.00 O ATOM 1105 CB GLU A 72 9.643 -3.962 -8.237 1.00 0.00 C ATOM 1106 CG GLU A 72 9.158 -5.367 -7.877 1.00 0.00 C ATOM 1107 CD GLU A 72 10.335 -6.233 -7.442 1.00 0.00 C ATOM 1108 OE1 GLU A 72 11.460 -5.861 -7.733 1.00 0.00 O ATOM 1109 OE2 GLU A 72 10.094 -7.262 -6.833 1.00 0.00 O ATOM 0 H GLU A 72 8.030 -2.942 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 72 10.735 -3.877 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.845 -3.407 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.473 -4.023 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.422 -5.311 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.661 -5.820 -8.735 1.00 0.00 H new ATOM 1116 N SER A 73 10.300 -0.774 -7.199 1.00 0.00 N ATOM 1117 CA SER A 73 11.025 0.455 -7.568 1.00 0.00 C ATOM 1118 C SER A 73 11.446 1.238 -6.332 1.00 0.00 C ATOM 1119 O SER A 73 11.617 2.457 -6.382 1.00 0.00 O ATOM 1120 CB SER A 73 10.145 1.322 -8.474 1.00 0.00 C ATOM 1121 OG SER A 73 10.116 0.756 -9.777 1.00 0.00 O ATOM 0 H SER A 73 9.357 -0.626 -6.840 1.00 0.00 H new ATOM 0 HA SER A 73 11.929 0.173 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.135 1.384 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.535 2.339 -8.515 1.00 0.00 H new ATOM 0 HG SER A 73 9.553 1.306 -10.360 1.00 0.00 H new ATOM 1127 N ALA A 74 11.545 0.537 -5.211 1.00 0.00 N ATOM 1128 CA ALA A 74 11.868 1.142 -3.924 1.00 0.00 C ATOM 1129 C ALA A 74 13.128 2.006 -3.890 1.00 0.00 C ATOM 1130 O ALA A 74 13.176 3.007 -3.185 1.00 0.00 O ATOM 1131 CB ALA A 74 12.032 0.022 -2.895 1.00 0.00 C ATOM 0 H ALA A 74 11.403 -0.472 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 74 11.042 1.819 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.274 0.453 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.102 -0.542 -2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.836 -0.644 -3.207 1.00 0.00 H new ATOM 1137 N ASP A 75 14.146 1.620 -4.634 1.00 0.00 N ATOM 1138 CA ASP A 75 15.397 2.375 -4.642 1.00 0.00 C ATOM 1139 C ASP A 75 15.229 3.791 -5.210 1.00 0.00 C ATOM 1140 O ASP A 75 16.074 4.654 -4.975 1.00 0.00 O ATOM 1141 CB ASP A 75 16.439 1.618 -5.466 1.00 0.00 C ATOM 1142 CG ASP A 75 17.781 2.337 -5.404 1.00 0.00 C ATOM 1143 OD1 ASP A 75 17.920 3.225 -4.578 1.00 0.00 O ATOM 1144 OD2 ASP A 75 18.652 1.991 -6.184 1.00 0.00 O ATOM 0 H ASP A 75 14.139 0.797 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 75 15.723 2.477 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.545 0.601 -5.087 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.108 1.539 -6.501 1.00 0.00 H new ATOM 1149 N ASP A 76 14.164 4.029 -5.972 1.00 0.00 N ATOM 1150 CA ASP A 76 13.940 5.350 -6.579 1.00 0.00 C ATOM 1151 C ASP A 76 13.060 6.275 -5.722 1.00 0.00 C ATOM 1152 O ASP A 76 13.367 7.461 -5.597 1.00 0.00 O ATOM 1153 CB ASP A 76 13.291 5.175 -7.955 1.00 0.00 C ATOM 1154 CG ASP A 76 14.297 4.578 -8.934 1.00 0.00 C ATOM 1155 OD1 ASP A 76 15.481 4.629 -8.640 1.00 0.00 O ATOM 1156 OD2 ASP A 76 13.871 4.086 -9.966 1.00 0.00 O ATOM 0 H ASP A 76 13.446 3.336 -6.186 1.00 0.00 H new ATOM 0 HA ASP A 76 14.917 5.826 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.419 4.525 -7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.938 6.138 -8.325 1.00 0.00 H new ATOM 1161 N TRP A 77 11.953 5.773 -5.175 1.00 0.00 N ATOM 1162 CA TRP A 77 11.051 6.640 -4.393 1.00 0.00 C ATOM 1163 C TRP A 77 11.383 6.700 -2.904 1.00 0.00 C ATOM 1164 O TRP A 77 10.975 7.640 -2.224 1.00 0.00 O ATOM 1165 CB TRP A 77 9.590 6.208 -4.560 1.00 0.00 C ATOM 1166 CG TRP A 77 9.290 4.966 -3.752 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.262 3.696 -4.246 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.957 4.845 -2.318 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.921 2.826 -3.234 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.726 3.472 -2.037 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.824 5.765 -1.236 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.379 3.031 -0.764 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.477 5.306 0.040 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.253 3.950 0.272 1.00 0.00 C ATOM 0 H TRP A 77 11.658 4.799 -5.251 1.00 0.00 H new ATOM 0 HA TRP A 77 11.201 7.641 -4.798 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.931 7.017 -4.246 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.382 6.019 -5.613 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.473 3.417 -5.268 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.824 1.818 -3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.992 6.819 -1.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.208 1.980 -0.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.382 6.010 0.853 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.980 3.612 1.261 1.00 0.00 H new ATOM 1185 N PHE A 78 12.120 5.727 -2.387 1.00 0.00 N ATOM 1186 CA PHE A 78 12.457 5.748 -0.960 1.00 0.00 C ATOM 1187 C PHE A 78 13.759 6.496 -0.713 1.00 0.00 C ATOM 1188 O PHE A 78 14.785 6.213 -1.331 1.00 0.00 O ATOM 1189 CB PHE A 78 12.539 4.323 -0.405 1.00 0.00 C ATOM 1190 CG PHE A 78 13.117 4.360 0.998 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.273 4.538 2.102 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.506 4.250 1.190 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.814 4.594 3.391 1.00 0.00 C ATOM 1194 CE2 PHE A 78 15.040 4.307 2.480 1.00 0.00 C ATOM 1195 CZ PHE A 78 14.195 4.477 3.581 1.00 0.00 C ATOM 0 H PHE A 78 12.489 4.933 -2.910 1.00 0.00 H new ATOM 0 HA PHE A 78 11.662 6.278 -0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.548 3.869 -0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.163 3.705 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.207 4.632 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.160 4.121 0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.163 4.728 4.242 1.00 0.00 H new ATOM 0 HE2 PHE A 78 16.106 4.220 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.608 4.518 4.578 1.00 0.00 H new ATOM 1205 N VAL A 79 13.692 7.468 0.191 1.00 0.00 N ATOM 1206 CA VAL A 79 14.836 8.298 0.544 1.00 0.00 C ATOM 1207 C VAL A 79 15.073 8.216 2.047 1.00 0.00 C ATOM 1208 O VAL A 79 14.112 8.209 2.816 1.00 0.00 O ATOM 1209 CB VAL A 79 14.524 9.745 0.146 1.00 0.00 C ATOM 1210 CG1 VAL A 79 14.706 9.917 -1.364 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.070 10.073 0.515 1.00 0.00 C ATOM 0 H VAL A 79 12.840 7.702 0.700 1.00 0.00 H new ATOM 0 HA VAL A 79 15.730 7.954 0.024 1.00 0.00 H new ATOM 0 HB VAL A 79 15.202 10.416 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.483 10.947 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.735 9.682 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 79 14.029 9.244 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.846 11.102 0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.399 9.397 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.931 9.953 1.590 1.00 0.00 H new ATOM 1221 N SER A 80 16.333 8.160 2.484 1.00 0.00 N ATOM 1222 CA SER A 80 16.637 8.086 3.915 1.00 0.00 C ATOM 1223 C SER A 80 17.580 9.216 4.312 1.00 0.00 C ATOM 1224 O SER A 80 18.528 9.532 3.592 1.00 0.00 O ATOM 1225 CB SER A 80 17.310 6.742 4.226 1.00 0.00 C ATOM 1226 OG SER A 80 18.380 6.537 3.312 1.00 0.00 O ATOM 0 H SER A 80 17.151 8.164 1.875 1.00 0.00 H new ATOM 0 HA SER A 80 15.708 8.178 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.683 6.736 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.586 5.931 4.146 1.00 0.00 H new ATOM 0 HG SER A 80 18.816 5.681 3.506 1.00 0.00 H new ATOM 1232 N GLU A 81 17.312 9.820 5.463 1.00 0.00 N ATOM 1233 CA GLU A 81 18.141 10.914 5.951 1.00 0.00 C ATOM 1234 C GLU A 81 19.538 10.409 6.297 1.00 0.00 C ATOM 1235 O GLU A 81 20.271 11.144 6.937 1.00 0.00 O ATOM 1236 CB GLU A 81 17.497 11.550 7.185 1.00 0.00 C ATOM 1237 CG GLU A 81 17.323 10.496 8.281 1.00 0.00 C ATOM 1238 CD GLU A 81 16.678 11.126 9.511 1.00 0.00 C ATOM 1239 OE1 GLU A 81 15.928 12.074 9.342 1.00 0.00 O ATOM 1240 OE2 GLU A 81 16.942 10.652 10.604 1.00 0.00 O ATOM 1241 OXT GLU A 81 19.855 9.294 5.914 1.00 0.00 O ATOM 0 H GLU A 81 16.532 9.573 6.072 1.00 0.00 H new ATOM 0 HA GLU A 81 18.224 11.664 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.118 12.368 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 81 16.529 11.977 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.704 9.677 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.291 10.071 8.545 1.00 0.00 H new TER 1248 GLU A 81