USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 685 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 60 THR OG1 : rot 76:sc= 0.773 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -144:sc= -0.277 (180deg=-1.19) USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.00588 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.123 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0175) USER MOD Single : A 18 LYS NZ :NH3+ -146:sc= 1.46 (180deg=-0.0743) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.7) USER MOD Single : A 27 GLN :FLIP amide:sc= -1.01 F(o=-3.2!,f=-1) USER MOD Single : A 29 SER OG : rot 40:sc= -1 USER MOD Single : A 32 ASN : amide:sc= -0.0205 K(o=-0.02,f=-1.3) USER MOD Single : A 33 SER OG : rot 0:sc= -2.06! USER MOD Single : A 34 SER OG : rot -86:sc= 0.897 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.805 USER MOD Single : A 42 ASN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.43) USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.0807 USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.055 (180deg=-0.336) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 62 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 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 141:sc= -0.449 (180deg=-1.84!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 161:sc= -0.0321 (180deg=-0.285) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.5) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.701 -15.960 26.009 1.00 0.00 N ATOM 2 CA GLY A 1 13.536 -16.216 27.428 1.00 0.00 C ATOM 3 C GLY A 1 13.541 -17.696 27.754 1.00 0.00 C ATOM 4 O GLY A 1 14.303 -18.466 27.169 1.00 0.00 O ATOM 0 H1 GLY A 1 14.214 -15.065 25.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.241 -16.737 25.577 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.767 -15.894 25.557 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.337 -15.723 27.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.598 -15.776 27.767 1.00 0.00 H new ATOM 8 N SER A 2 12.690 -18.096 28.693 1.00 0.00 N ATOM 9 CA SER A 2 12.603 -19.494 29.101 1.00 0.00 C ATOM 10 C SER A 2 11.957 -20.339 28.008 1.00 0.00 C ATOM 11 O SER A 2 12.527 -21.334 27.558 1.00 0.00 O ATOM 12 CB SER A 2 11.803 -19.620 30.399 1.00 0.00 C ATOM 13 OG SER A 2 10.506 -19.065 30.254 1.00 0.00 O ATOM 0 H SER A 2 12.051 -17.472 29.186 1.00 0.00 H new ATOM 0 HA SER A 2 13.615 -19.861 29.270 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.723 -20.670 30.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.331 -19.113 31.206 1.00 0.00 H new ATOM 0 HG SER A 2 10.014 -19.159 31.096 1.00 0.00 H new ATOM 19 N SER A 3 10.763 -19.937 27.585 1.00 0.00 N ATOM 20 CA SER A 3 10.036 -20.659 26.547 1.00 0.00 C ATOM 21 C SER A 3 10.290 -20.040 25.176 1.00 0.00 C ATOM 22 O SER A 3 9.922 -18.894 24.922 1.00 0.00 O ATOM 23 CB SER A 3 8.536 -20.657 26.850 1.00 0.00 C ATOM 24 OG SER A 3 8.199 -21.689 27.761 1.00 0.00 O ATOM 0 H SER A 3 10.278 -19.115 27.945 1.00 0.00 H new ATOM 0 HA SER A 3 10.396 -21.688 26.534 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.247 -19.692 27.266 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.975 -20.787 25.925 1.00 0.00 H new ATOM 0 HG SER A 3 7.236 -21.666 27.940 1.00 0.00 H new ATOM 30 N GLY A 4 10.922 -20.810 24.294 1.00 0.00 N ATOM 31 CA GLY A 4 11.215 -20.321 22.959 1.00 0.00 C ATOM 32 C GLY A 4 12.690 -20.039 22.756 1.00 0.00 C ATOM 33 O GLY A 4 13.473 -20.079 23.705 1.00 0.00 O ATOM 0 H GLY A 4 11.236 -21.762 24.480 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.884 -21.056 22.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.645 -19.410 22.776 1.00 0.00 H new ATOM 37 N SER A 5 13.071 -19.755 21.515 1.00 0.00 N ATOM 38 CA SER A 5 14.464 -19.471 21.189 1.00 0.00 C ATOM 39 C SER A 5 14.696 -17.969 21.060 1.00 0.00 C ATOM 40 O SER A 5 13.819 -17.231 20.611 1.00 0.00 O ATOM 41 CB SER A 5 14.859 -20.173 19.889 1.00 0.00 C ATOM 42 OG SER A 5 13.947 -19.869 18.847 1.00 0.00 O ATOM 0 H SER A 5 12.435 -19.715 20.719 1.00 0.00 H new ATOM 0 HA SER A 5 15.086 -19.849 22.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.864 -19.867 19.598 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.888 -21.251 20.048 1.00 0.00 H new ATOM 0 HG SER A 5 14.223 -20.329 18.027 1.00 0.00 H new ATOM 48 N SER A 6 15.883 -17.523 21.456 1.00 0.00 N ATOM 49 CA SER A 6 16.231 -16.109 21.389 1.00 0.00 C ATOM 50 C SER A 6 15.847 -15.519 20.035 1.00 0.00 C ATOM 51 O SER A 6 15.863 -16.209 19.017 1.00 0.00 O ATOM 52 CB SER A 6 17.729 -15.917 21.635 1.00 0.00 C ATOM 53 OG SER A 6 18.497 -16.580 20.645 1.00 0.00 O ATOM 0 H SER A 6 16.621 -18.121 21.827 1.00 0.00 H new ATOM 0 HA SER A 6 15.673 -15.586 22.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.968 -14.853 21.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.991 -16.301 22.621 1.00 0.00 H new ATOM 0 HG SER A 6 19.451 -16.441 20.823 1.00 0.00 H new ATOM 59 N GLY A 7 15.501 -14.235 20.033 1.00 0.00 N ATOM 60 CA GLY A 7 15.117 -13.573 18.800 1.00 0.00 C ATOM 61 C GLY A 7 15.930 -14.044 17.611 1.00 0.00 C ATOM 62 O GLY A 7 17.102 -14.399 17.735 1.00 0.00 O ATOM 0 H GLY A 7 15.480 -13.642 20.863 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.060 -13.755 18.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.239 -12.496 18.916 1.00 0.00 H new ATOM 66 N PRO A 8 15.302 -14.053 16.425 1.00 0.00 N ATOM 67 CA PRO A 8 15.956 -14.484 15.186 1.00 0.00 C ATOM 68 C PRO A 8 17.025 -13.501 14.723 1.00 0.00 C ATOM 69 O PRO A 8 16.739 -12.567 13.973 1.00 0.00 O ATOM 70 CB PRO A 8 14.805 -14.538 14.178 1.00 0.00 C ATOM 71 CG PRO A 8 13.795 -13.579 14.706 1.00 0.00 C ATOM 72 CD PRO A 8 13.905 -13.643 16.204 1.00 0.00 C ATOM 0 HA PRO A 8 16.478 -15.433 15.309 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.139 -14.252 13.180 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.393 -15.544 14.101 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.989 -12.569 14.343 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.792 -13.849 14.377 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.691 -12.678 16.664 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.203 -14.361 16.628 1.00 0.00 H new ATOM 80 N ASP A 9 18.256 -13.717 15.173 1.00 0.00 N ATOM 81 CA ASP A 9 19.369 -12.849 14.803 1.00 0.00 C ATOM 82 C ASP A 9 20.014 -13.319 13.503 1.00 0.00 C ATOM 83 O ASP A 9 20.710 -14.335 13.475 1.00 0.00 O ATOM 84 CB ASP A 9 20.411 -12.815 15.922 1.00 0.00 C ATOM 85 CG ASP A 9 20.652 -14.183 16.530 1.00 0.00 C ATOM 86 OD1 ASP A 9 20.566 -15.186 15.790 1.00 0.00 O ATOM 87 OD2 ASP A 9 20.927 -14.250 17.746 1.00 0.00 O ATOM 0 H ASP A 9 18.509 -14.485 15.794 1.00 0.00 H new ATOM 0 HA ASP A 9 18.979 -11.843 14.651 1.00 0.00 H new ATOM 0 HB2 ASP A 9 21.350 -12.425 15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.081 -12.127 16.701 1.00 0.00 H new ATOM 92 N PHE A 10 19.779 -12.574 12.428 1.00 0.00 N ATOM 93 CA PHE A 10 20.336 -12.915 11.124 1.00 0.00 C ATOM 94 C PHE A 10 21.125 -11.744 10.546 1.00 0.00 C ATOM 95 O PHE A 10 21.305 -10.717 11.202 1.00 0.00 O ATOM 96 CB PHE A 10 19.220 -13.319 10.159 1.00 0.00 C ATOM 97 CG PHE A 10 18.906 -14.788 10.186 1.00 0.00 C ATOM 98 CD1 PHE A 10 19.900 -15.726 9.964 1.00 0.00 C ATOM 99 CD2 PHE A 10 17.616 -15.229 10.434 1.00 0.00 C ATOM 100 CE1 PHE A 10 19.614 -17.078 9.988 1.00 0.00 C ATOM 101 CE2 PHE A 10 17.323 -16.580 10.459 1.00 0.00 C ATOM 102 CZ PHE A 10 18.324 -17.505 10.237 1.00 0.00 C ATOM 0 H PHE A 10 19.206 -11.730 12.434 1.00 0.00 H new ATOM 0 HA PHE A 10 21.015 -13.757 11.256 1.00 0.00 H new ATOM 0 HB2 PHE A 10 18.318 -12.758 10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 10 19.506 -13.035 9.146 1.00 0.00 H new ATOM 0 HD1 PHE A 10 20.910 -15.397 9.770 1.00 0.00 H new ATOM 0 HD2 PHE A 10 16.830 -14.509 10.610 1.00 0.00 H new ATOM 0 HE1 PHE A 10 20.398 -17.800 9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.313 -16.911 10.652 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.099 -18.561 10.258 1.00 0.00 H new ATOM 112 N THR A 11 21.595 -11.906 9.313 1.00 0.00 N ATOM 113 CA THR A 11 22.366 -10.864 8.647 1.00 0.00 C ATOM 114 C THR A 11 21.551 -9.584 8.502 1.00 0.00 C ATOM 115 O THR A 11 20.320 -9.599 8.510 1.00 0.00 O ATOM 116 CB THR A 11 22.838 -11.319 7.253 1.00 0.00 C ATOM 117 OG1 THR A 11 21.835 -12.137 6.639 1.00 0.00 O ATOM 118 CG2 THR A 11 24.143 -12.095 7.350 1.00 0.00 C ATOM 0 H THR A 11 21.455 -12.749 8.756 1.00 0.00 H new ATOM 0 HA THR A 11 23.237 -10.668 9.272 1.00 0.00 H new ATOM 0 HB THR A 11 23.006 -10.431 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.142 -12.421 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 11 24.456 -12.406 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 11 24.912 -11.460 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.997 -12.976 7.976 1.00 0.00 H new ATOM 126 N PRO A 12 22.251 -8.448 8.365 1.00 0.00 N ATOM 127 CA PRO A 12 21.611 -7.138 8.214 1.00 0.00 C ATOM 128 C PRO A 12 20.913 -6.985 6.867 1.00 0.00 C ATOM 129 O PRO A 12 20.361 -5.928 6.561 1.00 0.00 O ATOM 130 CB PRO A 12 22.782 -6.157 8.324 1.00 0.00 C ATOM 131 CG PRO A 12 23.975 -6.942 7.900 1.00 0.00 C ATOM 132 CD PRO A 12 23.720 -8.356 8.346 1.00 0.00 C ATOM 0 HA PRO A 12 20.831 -6.978 8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 12 22.632 -5.288 7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.894 -5.786 9.343 1.00 0.00 H new ATOM 0 HG2 PRO A 12 24.111 -6.892 6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 12 24.884 -6.547 8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.159 -9.079 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 12 24.148 -8.550 9.330 1.00 0.00 H new ATOM 140 N GLN A 13 20.941 -8.046 6.068 1.00 0.00 N ATOM 141 CA GLN A 13 20.310 -8.029 4.753 1.00 0.00 C ATOM 142 C GLN A 13 19.045 -7.176 4.768 1.00 0.00 C ATOM 143 O GLN A 13 18.176 -7.350 5.623 1.00 0.00 O ATOM 144 CB GLN A 13 19.974 -9.453 4.306 1.00 0.00 C ATOM 145 CG GLN A 13 19.972 -9.632 2.797 1.00 0.00 C ATOM 146 CD GLN A 13 19.913 -11.089 2.382 1.00 0.00 C ATOM 147 OE1 GLN A 13 20.944 -11.735 2.194 1.00 0.00 O ATOM 148 NE2 GLN A 13 18.702 -11.615 2.238 1.00 0.00 N ATOM 0 H GLN A 13 21.394 -8.928 6.308 1.00 0.00 H new ATOM 0 HA GLN A 13 21.014 -7.591 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 13 20.696 -10.142 4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 13 18.994 -9.726 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.118 -9.103 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 13 20.869 -9.175 2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.874 -11.043 2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.600 -12.591 1.961 1.00 0.00 H new ATOM 157 N LYS A 14 18.948 -6.254 3.816 1.00 0.00 N ATOM 158 CA LYS A 14 17.790 -5.374 3.718 1.00 0.00 C ATOM 159 C LYS A 14 16.806 -5.884 2.669 1.00 0.00 C ATOM 160 O LYS A 14 16.610 -5.255 1.630 1.00 0.00 O ATOM 161 CB LYS A 14 18.233 -3.952 3.367 1.00 0.00 C ATOM 162 CG LYS A 14 19.221 -3.888 2.215 1.00 0.00 C ATOM 163 CD LYS A 14 19.462 -2.457 1.766 1.00 0.00 C ATOM 164 CE LYS A 14 20.573 -1.800 2.571 1.00 0.00 C ATOM 165 NZ LYS A 14 20.746 -0.366 2.209 1.00 0.00 N ATOM 0 H LYS A 14 19.658 -6.097 3.101 1.00 0.00 H new ATOM 0 HA LYS A 14 17.290 -5.364 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 14 17.354 -3.359 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 14 18.684 -3.494 4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.166 -4.339 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.843 -4.474 1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.722 -2.446 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.543 -1.881 1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.348 -1.882 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.509 -2.333 2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 21.512 0.046 2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 20.986 -0.289 1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.861 0.148 2.395 1.00 0.00 H new ATOM 179 N PHE A 15 16.190 -7.027 2.950 1.00 0.00 N ATOM 180 CA PHE A 15 15.226 -7.622 2.032 1.00 0.00 C ATOM 181 C PHE A 15 14.199 -6.588 1.577 1.00 0.00 C ATOM 182 O PHE A 15 13.178 -6.380 2.232 1.00 0.00 O ATOM 183 CB PHE A 15 14.516 -8.803 2.697 1.00 0.00 C ATOM 184 CG PHE A 15 13.822 -8.440 3.979 1.00 0.00 C ATOM 185 CD1 PHE A 15 14.524 -8.387 5.172 1.00 0.00 C ATOM 186 CD2 PHE A 15 12.466 -8.153 3.990 1.00 0.00 C ATOM 187 CE1 PHE A 15 13.888 -8.054 6.352 1.00 0.00 C ATOM 188 CE2 PHE A 15 11.824 -7.819 5.168 1.00 0.00 C ATOM 189 CZ PHE A 15 12.536 -7.769 6.350 1.00 0.00 C ATOM 0 H PHE A 15 16.341 -7.560 3.806 1.00 0.00 H new ATOM 0 HA PHE A 15 15.769 -7.980 1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.785 -9.216 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 15 15.244 -9.589 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 15 15.581 -8.609 5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.905 -8.191 3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.447 -8.016 7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.767 -7.597 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.037 -7.508 7.271 1.00 0.00 H new ATOM 199 N LYS A 16 14.478 -5.943 0.449 1.00 0.00 N ATOM 200 CA LYS A 16 13.581 -4.931 -0.096 1.00 0.00 C ATOM 201 C LYS A 16 13.456 -5.073 -1.609 1.00 0.00 C ATOM 202 O LYS A 16 14.403 -4.801 -2.347 1.00 0.00 O ATOM 203 CB LYS A 16 14.086 -3.530 0.255 1.00 0.00 C ATOM 204 CG LYS A 16 14.136 -3.258 1.749 1.00 0.00 C ATOM 205 CD LYS A 16 12.779 -2.832 2.284 1.00 0.00 C ATOM 206 CE LYS A 16 12.512 -1.358 2.016 1.00 0.00 C ATOM 207 NZ LYS A 16 13.259 -0.479 2.957 1.00 0.00 N ATOM 0 H LYS A 16 15.319 -6.103 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 16 12.596 -5.077 0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.084 -3.397 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.440 -2.791 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.469 -4.154 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.870 -2.478 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.998 -3.435 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.733 -3.022 3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.796 -1.118 0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.444 -1.160 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.961 0.508 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.059 -0.769 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.279 -0.561 2.773 1.00 0.00 H new ATOM 221 N GLU A 17 12.282 -5.500 -2.065 1.00 0.00 N ATOM 222 CA GLU A 17 12.035 -5.677 -3.491 1.00 0.00 C ATOM 223 C GLU A 17 10.575 -6.036 -3.749 1.00 0.00 C ATOM 224 O GLU A 17 10.140 -7.154 -3.473 1.00 0.00 O ATOM 225 CB GLU A 17 12.948 -6.767 -4.058 1.00 0.00 C ATOM 226 CG GLU A 17 12.871 -6.900 -5.569 1.00 0.00 C ATOM 227 CD GLU A 17 14.136 -7.482 -6.169 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.269 -8.724 -6.180 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.992 -6.697 -6.627 1.00 0.00 O ATOM 0 H GLU A 17 11.488 -5.730 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 17 12.253 -4.734 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.978 -6.551 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.685 -7.722 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.024 -7.534 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.683 -5.920 -6.007 1.00 0.00 H new ATOM 236 N LYS A 18 9.822 -5.080 -4.282 1.00 0.00 N ATOM 237 CA LYS A 18 8.411 -5.293 -4.579 1.00 0.00 C ATOM 238 C LYS A 18 8.110 -4.981 -6.042 1.00 0.00 C ATOM 239 O LYS A 18 8.491 -3.928 -6.555 1.00 0.00 O ATOM 240 CB LYS A 18 7.540 -4.421 -3.672 1.00 0.00 C ATOM 241 CG LYS A 18 7.872 -4.557 -2.196 1.00 0.00 C ATOM 242 CD LYS A 18 7.060 -5.662 -1.542 1.00 0.00 C ATOM 243 CE LYS A 18 7.816 -6.301 -0.386 1.00 0.00 C ATOM 244 NZ LYS A 18 9.103 -6.903 -0.832 1.00 0.00 N ATOM 0 H LYS A 18 10.166 -4.149 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 18 8.181 -6.342 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.654 -3.378 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.493 -4.683 -3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.935 -4.767 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.676 -3.612 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.116 -5.255 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.816 -6.423 -2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.012 -5.550 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.195 -7.070 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.301 -7.755 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.036 -7.160 -1.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.872 -6.215 -0.701 1.00 0.00 H new ATOM 258 N THR A 19 7.423 -5.903 -6.710 1.00 0.00 N ATOM 259 CA THR A 19 7.071 -5.726 -8.113 1.00 0.00 C ATOM 260 C THR A 19 5.760 -4.961 -8.259 1.00 0.00 C ATOM 261 O THR A 19 4.886 -5.038 -7.396 1.00 0.00 O ATOM 262 CB THR A 19 6.944 -7.081 -8.835 1.00 0.00 C ATOM 263 OG1 THR A 19 6.851 -6.876 -10.249 1.00 0.00 O ATOM 264 CG2 THR A 19 5.721 -7.843 -8.346 1.00 0.00 C ATOM 0 H THR A 19 7.100 -6.780 -6.301 1.00 0.00 H new ATOM 0 HA THR A 19 7.876 -5.152 -8.571 1.00 0.00 H new ATOM 0 HB THR A 19 7.833 -7.671 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.772 -7.742 -10.701 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.653 -8.796 -8.870 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.809 -8.024 -7.275 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.824 -7.256 -8.542 1.00 0.00 H new ATOM 272 N ALA A 20 5.630 -4.224 -9.357 1.00 0.00 N ATOM 273 CA ALA A 20 4.425 -3.447 -9.617 1.00 0.00 C ATOM 274 C ALA A 20 3.187 -4.160 -9.084 1.00 0.00 C ATOM 275 O ALA A 20 2.536 -3.681 -8.155 1.00 0.00 O ATOM 276 CB ALA A 20 4.281 -3.178 -11.107 1.00 0.00 C ATOM 0 H ALA A 20 6.345 -4.149 -10.081 1.00 0.00 H new ATOM 0 HA ALA A 20 4.517 -2.495 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.376 -2.597 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.147 -2.619 -11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.216 -4.125 -11.643 1.00 0.00 H new ATOM 282 N GLU A 21 2.867 -5.305 -9.678 1.00 0.00 N ATOM 283 CA GLU A 21 1.705 -6.082 -9.263 1.00 0.00 C ATOM 284 C GLU A 21 1.598 -6.130 -7.742 1.00 0.00 C ATOM 285 O GLU A 21 0.584 -5.735 -7.168 1.00 0.00 O ATOM 286 CB GLU A 21 1.786 -7.502 -9.825 1.00 0.00 C ATOM 287 CG GLU A 21 0.428 -8.125 -10.103 1.00 0.00 C ATOM 288 CD GLU A 21 -0.180 -7.642 -11.406 1.00 0.00 C ATOM 289 OE1 GLU A 21 -0.670 -6.494 -11.442 1.00 0.00 O ATOM 290 OE2 GLU A 21 -0.164 -8.412 -12.389 1.00 0.00 O ATOM 0 H GLU A 21 3.396 -5.715 -10.448 1.00 0.00 H new ATOM 0 HA GLU A 21 0.814 -5.594 -9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.365 -7.486 -10.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.328 -8.132 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.530 -9.210 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.250 -7.892 -9.282 1.00 0.00 H new ATOM 297 N GLN A 22 2.653 -6.618 -7.096 1.00 0.00 N ATOM 298 CA GLN A 22 2.677 -6.720 -5.642 1.00 0.00 C ATOM 299 C GLN A 22 2.352 -5.377 -4.996 1.00 0.00 C ATOM 300 O GLN A 22 1.479 -5.286 -4.132 1.00 0.00 O ATOM 301 CB GLN A 22 4.047 -7.209 -5.167 1.00 0.00 C ATOM 302 CG GLN A 22 4.312 -8.673 -5.480 1.00 0.00 C ATOM 303 CD GLN A 22 5.632 -9.160 -4.916 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.428 -8.375 -4.402 1.00 0.00 O ATOM 305 NE2 GLN A 22 5.870 -10.463 -5.009 1.00 0.00 N ATOM 0 H GLN A 22 3.501 -6.948 -7.557 1.00 0.00 H new ATOM 0 HA GLN A 22 1.917 -7.441 -5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.822 -6.600 -5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.125 -7.056 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.502 -9.280 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.308 -8.816 -6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.181 -11.077 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.741 -10.849 -4.646 1.00 0.00 H new ATOM 314 N LEU A 23 3.059 -4.336 -5.421 1.00 0.00 N ATOM 315 CA LEU A 23 2.846 -2.996 -4.884 1.00 0.00 C ATOM 316 C LEU A 23 1.384 -2.582 -5.018 1.00 0.00 C ATOM 317 O LEU A 23 0.716 -2.299 -4.023 1.00 0.00 O ATOM 318 CB LEU A 23 3.742 -1.988 -5.606 1.00 0.00 C ATOM 319 CG LEU A 23 5.174 -1.868 -5.085 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.859 -0.648 -5.682 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.184 -1.796 -3.565 1.00 0.00 C ATOM 0 H LEU A 23 3.785 -4.394 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 23 3.105 -3.010 -3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.782 -2.259 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.272 -1.006 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 23 5.727 -2.756 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.877 -0.579 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.885 -0.740 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.307 0.250 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.212 -1.711 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.615 -0.926 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.733 -2.700 -3.155 1.00 0.00 H new ATOM 333 N ARG A 24 0.894 -2.551 -6.253 1.00 0.00 N ATOM 334 CA ARG A 24 -0.489 -2.173 -6.516 1.00 0.00 C ATOM 335 C ARG A 24 -1.431 -2.813 -5.500 1.00 0.00 C ATOM 336 O ARG A 24 -2.532 -2.318 -5.260 1.00 0.00 O ATOM 337 CB ARG A 24 -0.892 -2.586 -7.933 1.00 0.00 C ATOM 338 CG ARG A 24 -2.395 -2.712 -8.126 1.00 0.00 C ATOM 339 CD ARG A 24 -2.737 -3.193 -9.527 1.00 0.00 C ATOM 340 NE ARG A 24 -4.136 -2.942 -9.865 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.688 -3.298 -11.020 1.00 0.00 C ATOM 342 NH1 ARG A 24 -3.964 -3.916 -11.942 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.968 -3.035 -11.253 1.00 0.00 N ATOM 0 H ARG A 24 1.434 -2.783 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.567 -1.090 -6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.503 -1.853 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.422 -3.540 -8.172 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.800 -3.408 -7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.869 -1.747 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.094 -2.691 -10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.531 -4.261 -9.604 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.721 -2.468 -9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.980 -4.120 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.391 -4.188 -12.828 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.528 -2.560 -10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.392 -3.308 -12.140 1.00 0.00 H new ATOM 357 N VAL A 25 -0.990 -3.918 -4.907 1.00 0.00 N ATOM 358 CA VAL A 25 -1.792 -4.627 -3.917 1.00 0.00 C ATOM 359 C VAL A 25 -1.457 -4.164 -2.504 1.00 0.00 C ATOM 360 O VAL A 25 -2.286 -3.560 -1.823 1.00 0.00 O ATOM 361 CB VAL A 25 -1.582 -6.150 -4.010 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.357 -6.864 -2.913 1.00 0.00 C ATOM 363 CG2 VAL A 25 -1.993 -6.661 -5.383 1.00 0.00 C ATOM 0 H VAL A 25 -0.081 -4.342 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.836 -4.398 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.522 -6.362 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.196 -7.939 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.011 -6.518 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.420 -6.647 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.838 -7.739 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.046 -6.438 -5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.390 -6.173 -6.148 1.00 0.00 H new ATOM 373 N LEU A 26 -0.235 -4.451 -2.069 1.00 0.00 N ATOM 374 CA LEU A 26 0.213 -4.063 -0.735 1.00 0.00 C ATOM 375 C LEU A 26 -0.177 -2.621 -0.428 1.00 0.00 C ATOM 376 O LEU A 26 -0.595 -2.305 0.685 1.00 0.00 O ATOM 377 CB LEU A 26 1.728 -4.231 -0.616 1.00 0.00 C ATOM 378 CG LEU A 26 2.248 -5.669 -0.636 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.705 -5.704 -1.071 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.082 -6.315 0.732 1.00 0.00 C ATOM 0 H LEU A 26 0.463 -4.951 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.276 -4.714 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.199 -3.684 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.054 -3.761 0.312 1.00 0.00 H new ATOM 0 HG LEU A 26 1.661 -6.237 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.058 -6.735 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.796 -5.281 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.307 -5.120 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.457 -7.338 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.643 -5.746 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.027 -6.324 1.004 1.00 0.00 H new ATOM 392 N GLN A 27 -0.038 -1.751 -1.423 1.00 0.00 N ATOM 393 CA GLN A 27 -0.376 -0.342 -1.259 1.00 0.00 C ATOM 394 C GLN A 27 -1.878 -0.162 -1.065 1.00 0.00 C ATOM 395 O GLN A 27 -2.316 0.672 -0.274 1.00 0.00 O ATOM 396 CB GLN A 27 0.093 0.462 -2.473 1.00 0.00 C ATOM 397 CG GLN A 27 0.475 1.896 -2.142 1.00 0.00 C ATOM 398 CD GLN A 27 -0.708 2.842 -2.199 1.00 0.00 C ATOM 399 OE1 GLN A 27 -0.903 3.612 -1.135 1.00 0.00 O flip ATOM 400 NE2 GLN A 27 -1.439 2.881 -3.190 1.00 0.00 N flip ATOM 0 H GLN A 27 0.306 -1.997 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 27 0.134 0.027 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.951 -0.040 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.699 0.469 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.915 1.930 -1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.240 2.235 -2.840 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.252 2.271 -3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.231 3.523 -3.215 1.00 0.00 H new ATOM 409 N ALA A 28 -2.662 -0.951 -1.794 1.00 0.00 N ATOM 410 CA ALA A 28 -4.115 -0.879 -1.700 1.00 0.00 C ATOM 411 C ALA A 28 -4.607 -1.423 -0.363 1.00 0.00 C ATOM 412 O ALA A 28 -5.733 -1.150 0.052 1.00 0.00 O ATOM 413 CB ALA A 28 -4.756 -1.643 -2.850 1.00 0.00 C ATOM 0 H ALA A 28 -2.315 -1.646 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.407 0.169 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.841 -1.581 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.439 -1.208 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.448 -2.688 -2.809 1.00 0.00 H new ATOM 419 N SER A 29 -3.755 -2.193 0.307 1.00 0.00 N ATOM 420 CA SER A 29 -4.105 -2.778 1.596 1.00 0.00 C ATOM 421 C SER A 29 -3.697 -1.855 2.740 1.00 0.00 C ATOM 422 O SER A 29 -4.542 -1.373 3.495 1.00 0.00 O ATOM 423 CB SER A 29 -3.432 -4.142 1.760 1.00 0.00 C ATOM 424 OG SER A 29 -2.155 -4.158 1.144 1.00 0.00 O ATOM 0 H SER A 29 -2.818 -2.426 -0.022 1.00 0.00 H new ATOM 0 HA SER A 29 -5.187 -2.909 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.331 -4.376 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.061 -4.917 1.321 1.00 0.00 H new ATOM 0 HG SER A 29 -1.702 -3.305 1.309 1.00 0.00 H new ATOM 430 N PHE A 30 -2.396 -1.614 2.862 1.00 0.00 N ATOM 431 CA PHE A 30 -1.874 -0.751 3.915 1.00 0.00 C ATOM 432 C PHE A 30 -2.743 0.493 4.079 1.00 0.00 C ATOM 433 O PHE A 30 -3.068 0.894 5.197 1.00 0.00 O ATOM 434 CB PHE A 30 -0.433 -0.342 3.601 1.00 0.00 C ATOM 435 CG PHE A 30 0.054 0.816 4.423 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.294 2.115 4.089 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.861 0.607 5.530 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.153 3.184 4.844 1.00 0.00 C ATOM 439 CE2 PHE A 30 1.310 1.671 6.289 1.00 0.00 C ATOM 440 CZ PHE A 30 0.956 2.961 5.945 1.00 0.00 C ATOM 0 H PHE A 30 -1.684 -2.004 2.245 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.890 -1.310 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.223 -1.196 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.359 -0.084 2.545 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.922 2.295 3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.142 -0.399 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.126 4.192 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.937 1.494 7.150 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.307 3.794 6.536 1.00 0.00 H new ATOM 450 N LEU A 31 -3.115 1.099 2.957 1.00 0.00 N ATOM 451 CA LEU A 31 -3.946 2.298 2.974 1.00 0.00 C ATOM 452 C LEU A 31 -5.126 2.129 3.925 1.00 0.00 C ATOM 453 O LEU A 31 -5.227 2.824 4.935 1.00 0.00 O ATOM 454 CB LEU A 31 -4.452 2.612 1.565 1.00 0.00 C ATOM 455 CG LEU A 31 -3.498 3.403 0.670 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.876 3.235 -0.794 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.500 4.875 1.057 1.00 0.00 C ATOM 0 H LEU A 31 -2.854 0.780 2.024 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.335 3.129 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.689 1.671 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.384 3.170 1.651 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.490 3.012 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.186 3.805 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.822 2.181 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.891 3.599 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.815 5.422 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.506 5.279 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.180 4.979 2.094 1.00 0.00 H new ATOM 469 N ASN A 32 -6.017 1.199 3.595 1.00 0.00 N ATOM 470 CA ASN A 32 -7.190 0.937 4.421 1.00 0.00 C ATOM 471 C ASN A 32 -6.843 1.031 5.904 1.00 0.00 C ATOM 472 O ASN A 32 -7.614 1.569 6.698 1.00 0.00 O ATOM 473 CB ASN A 32 -7.762 -0.447 4.106 1.00 0.00 C ATOM 474 CG ASN A 32 -9.123 -0.668 4.738 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.691 0.239 5.348 1.00 0.00 O ATOM 476 ND2 ASN A 32 -9.652 -1.877 4.596 1.00 0.00 N ATOM 0 H ASN A 32 -5.949 0.615 2.762 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.941 1.694 4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.842 -0.566 3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.071 -1.212 4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.565 -2.085 5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.146 -2.598 4.082 1.00 0.00 H new ATOM 483 N SER A 33 -5.679 0.505 6.268 1.00 0.00 N ATOM 484 CA SER A 33 -5.231 0.527 7.656 1.00 0.00 C ATOM 485 C SER A 33 -3.762 0.129 7.759 1.00 0.00 C ATOM 486 O SER A 33 -3.412 -1.042 7.607 1.00 0.00 O ATOM 487 CB SER A 33 -6.087 -0.414 8.505 1.00 0.00 C ATOM 488 OG SER A 33 -6.039 -0.051 9.874 1.00 0.00 O ATOM 0 H SER A 33 -5.028 0.058 5.622 1.00 0.00 H new ATOM 0 HA SER A 33 -5.341 1.544 8.031 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.119 -0.388 8.155 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.735 -1.439 8.385 1.00 0.00 H new ATOM 0 HG SER A 33 -5.460 0.732 9.985 1.00 0.00 H new ATOM 494 N SER A 34 -2.906 1.112 8.019 1.00 0.00 N ATOM 495 CA SER A 34 -1.473 0.866 8.139 1.00 0.00 C ATOM 496 C SER A 34 -1.204 -0.387 8.966 1.00 0.00 C ATOM 497 O SER A 34 -0.197 -1.069 8.773 1.00 0.00 O ATOM 498 CB SER A 34 -0.779 2.071 8.778 1.00 0.00 C ATOM 499 OG SER A 34 -1.226 3.284 8.196 1.00 0.00 O ATOM 0 H SER A 34 -3.179 2.086 8.151 1.00 0.00 H new ATOM 0 HA SER A 34 -1.071 0.713 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.978 2.083 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.300 1.981 8.655 1.00 0.00 H new ATOM 0 HG SER A 34 -0.693 3.479 7.397 1.00 0.00 H new ATOM 505 N VAL A 35 -2.113 -0.686 9.890 1.00 0.00 N ATOM 506 CA VAL A 35 -1.976 -1.857 10.746 1.00 0.00 C ATOM 507 C VAL A 35 -2.374 -3.129 10.006 1.00 0.00 C ATOM 508 O VAL A 35 -3.476 -3.227 9.466 1.00 0.00 O ATOM 509 CB VAL A 35 -2.836 -1.726 12.018 1.00 0.00 C ATOM 510 CG1 VAL A 35 -2.371 -0.547 12.858 1.00 0.00 C ATOM 511 CG2 VAL A 35 -4.307 -1.585 11.654 1.00 0.00 C ATOM 0 H VAL A 35 -2.952 -0.132 10.064 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.926 -1.920 11.031 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.717 -2.633 12.611 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.990 -0.470 13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.331 -0.695 13.149 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.458 0.371 12.277 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.900 -1.494 12.564 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.446 -0.696 11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.630 -2.465 11.097 1.00 0.00 H new ATOM 521 N LEU A 36 -1.469 -4.102 9.985 1.00 0.00 N ATOM 522 CA LEU A 36 -1.725 -5.370 9.311 1.00 0.00 C ATOM 523 C LEU A 36 -2.307 -6.394 10.280 1.00 0.00 C ATOM 524 O LEU A 36 -1.692 -6.724 11.295 1.00 0.00 O ATOM 525 CB LEU A 36 -0.435 -5.911 8.693 1.00 0.00 C ATOM 526 CG LEU A 36 -0.602 -7.021 7.654 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.114 -6.450 6.341 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.714 -7.755 7.442 1.00 0.00 C ATOM 0 H LEU A 36 -0.552 -4.037 10.427 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.453 -5.192 8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.097 -5.081 8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.200 -6.285 9.496 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.337 -7.735 8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.227 -7.254 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.079 -5.971 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.404 -5.715 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.577 -8.541 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.470 -7.053 7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.039 -8.198 8.383 1.00 0.00 H new ATOM 540 N THR A 37 -3.495 -6.896 9.960 1.00 0.00 N ATOM 541 CA THR A 37 -4.160 -7.884 10.801 1.00 0.00 C ATOM 542 C THR A 37 -3.825 -9.302 10.353 1.00 0.00 C ATOM 543 O THR A 37 -3.813 -9.600 9.158 1.00 0.00 O ATOM 544 CB THR A 37 -5.689 -7.700 10.783 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.174 -7.762 9.437 1.00 0.00 O ATOM 546 CG2 THR A 37 -6.081 -6.369 11.408 1.00 0.00 C ATOM 0 H THR A 37 -4.017 -6.635 9.124 1.00 0.00 H new ATOM 0 HA THR A 37 -3.795 -7.731 11.817 1.00 0.00 H new ATOM 0 HB THR A 37 -6.137 -8.504 11.367 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.115 -7.489 9.415 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.165 -6.261 11.384 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.736 -6.337 12.441 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.623 -5.555 10.847 1.00 0.00 H new ATOM 554 N ASP A 38 -3.553 -10.174 11.318 1.00 0.00 N ATOM 555 CA ASP A 38 -3.220 -11.562 11.023 1.00 0.00 C ATOM 556 C ASP A 38 -4.018 -12.070 9.826 1.00 0.00 C ATOM 557 O ASP A 38 -3.473 -12.723 8.937 1.00 0.00 O ATOM 558 CB ASP A 38 -3.489 -12.444 12.243 1.00 0.00 C ATOM 559 CG ASP A 38 -2.715 -13.747 12.197 1.00 0.00 C ATOM 560 OD1 ASP A 38 -1.474 -13.705 12.334 1.00 0.00 O ATOM 561 OD2 ASP A 38 -3.349 -14.809 12.024 1.00 0.00 O ATOM 0 H ASP A 38 -3.557 -9.943 12.312 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.159 -11.611 10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.223 -11.898 13.148 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.556 -12.660 12.303 1.00 0.00 H new ATOM 566 N GLU A 39 -5.312 -11.766 9.812 1.00 0.00 N ATOM 567 CA GLU A 39 -6.185 -12.194 8.726 1.00 0.00 C ATOM 568 C GLU A 39 -5.758 -11.563 7.404 1.00 0.00 C ATOM 569 O GLU A 39 -5.573 -12.257 6.405 1.00 0.00 O ATOM 570 CB GLU A 39 -7.638 -11.825 9.034 1.00 0.00 C ATOM 571 CG GLU A 39 -7.953 -10.355 8.811 1.00 0.00 C ATOM 572 CD GLU A 39 -9.370 -9.995 9.213 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.301 -10.293 8.437 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.547 -9.415 10.305 1.00 0.00 O ATOM 0 H GLU A 39 -5.778 -11.225 10.540 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.104 -13.277 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.297 -12.428 8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.857 -12.082 10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.252 -9.746 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.804 -10.111 7.759 1.00 0.00 H new ATOM 581 N GLU A 40 -5.604 -10.242 7.407 1.00 0.00 N ATOM 582 CA GLU A 40 -5.200 -9.518 6.208 1.00 0.00 C ATOM 583 C GLU A 40 -3.868 -10.041 5.679 1.00 0.00 C ATOM 584 O GLU A 40 -3.672 -10.161 4.469 1.00 0.00 O ATOM 585 CB GLU A 40 -5.091 -8.020 6.503 1.00 0.00 C ATOM 586 CG GLU A 40 -4.357 -7.240 5.425 1.00 0.00 C ATOM 587 CD GLU A 40 -4.823 -5.800 5.328 1.00 0.00 C ATOM 588 OE1 GLU A 40 -5.949 -5.573 4.837 1.00 0.00 O ATOM 589 OE2 GLU A 40 -4.063 -4.901 5.743 1.00 0.00 O ATOM 0 H GLU A 40 -5.753 -9.652 8.226 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.962 -9.677 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.093 -7.607 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.576 -7.882 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.287 -7.259 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.503 -7.731 4.463 1.00 0.00 H new ATOM 596 N LEU A 41 -2.956 -10.351 6.593 1.00 0.00 N ATOM 597 CA LEU A 41 -1.641 -10.861 6.220 1.00 0.00 C ATOM 598 C LEU A 41 -1.767 -12.127 5.379 1.00 0.00 C ATOM 599 O LEU A 41 -1.030 -12.318 4.412 1.00 0.00 O ATOM 600 CB LEU A 41 -0.809 -11.148 7.472 1.00 0.00 C ATOM 601 CG LEU A 41 0.702 -11.248 7.265 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.432 -11.118 8.592 1.00 0.00 C ATOM 603 CD2 LEU A 41 1.062 -12.560 6.583 1.00 0.00 C ATOM 0 H LEU A 41 -3.103 -10.258 7.598 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.139 -10.099 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.004 -10.362 8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.158 -12.083 7.909 1.00 0.00 H new ATOM 0 HG LEU A 41 1.015 -10.428 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.507 -11.192 8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.200 -10.153 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.114 -11.916 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.142 -12.613 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.734 -13.394 7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.568 -12.613 5.613 1.00 0.00 H new ATOM 615 N ASN A 42 -2.708 -12.988 5.752 1.00 0.00 N ATOM 616 CA ASN A 42 -2.932 -14.236 5.030 1.00 0.00 C ATOM 617 C ASN A 42 -3.342 -13.963 3.586 1.00 0.00 C ATOM 618 O ASN A 42 -2.676 -14.400 2.647 1.00 0.00 O ATOM 619 CB ASN A 42 -4.009 -15.067 5.729 1.00 0.00 C ATOM 620 CG ASN A 42 -3.432 -15.997 6.778 1.00 0.00 C ATOM 621 OD1 ASN A 42 -3.421 -17.216 6.605 1.00 0.00 O ATOM 622 ND2 ASN A 42 -2.947 -15.425 7.874 1.00 0.00 N ATOM 0 H ASN A 42 -3.328 -12.845 6.550 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.997 -14.796 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.732 -14.399 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.551 -15.653 4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.545 -16.000 8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.977 -14.411 7.976 1.00 0.00 H new ATOM 629 N ARG A 43 -4.442 -13.236 3.416 1.00 0.00 N ATOM 630 CA ARG A 43 -4.941 -12.905 2.087 1.00 0.00 C ATOM 631 C ARG A 43 -3.826 -12.341 1.212 1.00 0.00 C ATOM 632 O ARG A 43 -3.691 -12.710 0.045 1.00 0.00 O ATOM 633 CB ARG A 43 -6.086 -11.895 2.186 1.00 0.00 C ATOM 634 CG ARG A 43 -7.456 -12.538 2.325 1.00 0.00 C ATOM 635 CD ARG A 43 -7.762 -12.890 3.773 1.00 0.00 C ATOM 636 NE ARG A 43 -9.080 -13.500 3.921 1.00 0.00 N ATOM 637 CZ ARG A 43 -9.378 -14.721 3.491 1.00 0.00 C ATOM 638 NH1 ARG A 43 -8.455 -15.459 2.889 1.00 0.00 N ATOM 639 NH2 ARG A 43 -10.601 -15.207 3.662 1.00 0.00 N ATOM 0 H ARG A 43 -5.004 -12.865 4.182 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.312 -13.821 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.911 -11.244 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.079 -11.263 1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.219 -11.858 1.946 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.500 -13.439 1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.001 -13.575 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.709 -11.989 4.384 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.813 -12.959 4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.514 -15.089 2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.686 -16.396 2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.314 -14.643 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.828 -16.145 3.331 1.00 0.00 H new ATOM 653 N LEU A 44 -3.028 -11.445 1.784 1.00 0.00 N ATOM 654 CA LEU A 44 -1.924 -10.830 1.056 1.00 0.00 C ATOM 655 C LEU A 44 -0.873 -11.869 0.681 1.00 0.00 C ATOM 656 O LEU A 44 -0.444 -11.945 -0.471 1.00 0.00 O ATOM 657 CB LEU A 44 -1.286 -9.724 1.898 1.00 0.00 C ATOM 658 CG LEU A 44 -2.176 -8.520 2.210 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.420 -7.501 3.049 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.683 -7.884 0.924 1.00 0.00 C ATOM 0 H LEU A 44 -3.125 -11.129 2.749 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.323 -10.396 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.953 -10.159 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.396 -9.368 1.380 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.036 -8.867 2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.069 -6.651 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.107 -7.962 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.542 -7.159 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.315 -7.029 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.836 -7.552 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.262 -8.615 0.360 1.00 0.00 H new ATOM 672 N ARG A 45 -0.462 -12.669 1.660 1.00 0.00 N ATOM 673 CA ARG A 45 0.538 -13.705 1.431 1.00 0.00 C ATOM 674 C ARG A 45 0.223 -14.496 0.165 1.00 0.00 C ATOM 675 O ARG A 45 1.113 -15.080 -0.451 1.00 0.00 O ATOM 676 CB ARG A 45 0.607 -14.650 2.632 1.00 0.00 C ATOM 677 CG ARG A 45 1.981 -15.263 2.847 1.00 0.00 C ATOM 678 CD ARG A 45 2.101 -15.893 4.226 1.00 0.00 C ATOM 679 NE ARG A 45 1.651 -17.283 4.233 1.00 0.00 N ATOM 680 CZ ARG A 45 0.381 -17.643 4.380 1.00 0.00 C ATOM 681 NH1 ARG A 45 -0.560 -16.722 4.530 1.00 0.00 N ATOM 682 NH2 ARG A 45 0.051 -18.929 4.376 1.00 0.00 N ATOM 0 H ARG A 45 -0.806 -12.619 2.619 1.00 0.00 H new ATOM 0 HA ARG A 45 1.505 -13.219 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.318 -14.104 3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.121 -15.450 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.167 -16.018 2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.746 -14.495 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.138 -15.846 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.512 -15.318 4.940 1.00 0.00 H new ATOM 0 HE ARG A 45 2.350 -18.017 4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.310 -15.733 4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.534 -17.002 4.643 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.773 -19.640 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.924 -19.206 4.489 1.00 0.00 H new ATOM 696 N ALA A 46 -1.050 -14.509 -0.216 1.00 0.00 N ATOM 697 CA ALA A 46 -1.483 -15.227 -1.409 1.00 0.00 C ATOM 698 C ALA A 46 -1.558 -14.294 -2.613 1.00 0.00 C ATOM 699 O ALA A 46 -1.164 -14.662 -3.720 1.00 0.00 O ATOM 700 CB ALA A 46 -2.831 -15.889 -1.167 1.00 0.00 C ATOM 0 H ALA A 46 -1.800 -14.031 0.284 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.746 -16.000 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.142 -16.421 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.747 -16.593 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.572 -15.128 -0.922 1.00 0.00 H new ATOM 706 N GLN A 47 -2.067 -13.087 -2.390 1.00 0.00 N ATOM 707 CA GLN A 47 -2.195 -12.103 -3.458 1.00 0.00 C ATOM 708 C GLN A 47 -0.824 -11.682 -3.978 1.00 0.00 C ATOM 709 O GLN A 47 -0.525 -11.829 -5.163 1.00 0.00 O ATOM 710 CB GLN A 47 -2.964 -10.877 -2.962 1.00 0.00 C ATOM 711 CG GLN A 47 -4.448 -11.132 -2.756 1.00 0.00 C ATOM 712 CD GLN A 47 -5.095 -11.808 -3.949 1.00 0.00 C ATOM 713 OE1 GLN A 47 -5.359 -13.011 -3.927 1.00 0.00 O ATOM 714 NE2 GLN A 47 -5.353 -11.038 -4.999 1.00 0.00 N ATOM 0 H GLN A 47 -2.397 -12.767 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.748 -12.563 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.528 -10.541 -2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.839 -10.066 -3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.587 -11.754 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.952 -10.185 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.118 -10.046 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.787 -11.438 -5.831 1.00 0.00 H new ATOM 723 N THR A 48 0.007 -11.157 -3.083 1.00 0.00 N ATOM 724 CA THR A 48 1.345 -10.713 -3.451 1.00 0.00 C ATOM 725 C THR A 48 2.289 -11.898 -3.622 1.00 0.00 C ATOM 726 O THR A 48 3.378 -11.762 -4.181 1.00 0.00 O ATOM 727 CB THR A 48 1.929 -9.755 -2.396 1.00 0.00 C ATOM 728 OG1 THR A 48 2.204 -10.467 -1.185 1.00 0.00 O ATOM 729 CG2 THR A 48 0.966 -8.612 -2.111 1.00 0.00 C ATOM 0 H THR A 48 -0.224 -11.029 -2.098 1.00 0.00 H new ATOM 0 HA THR A 48 1.253 -10.184 -4.400 1.00 0.00 H new ATOM 0 HB THR A 48 2.856 -9.339 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.398 -10.943 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.400 -7.949 -1.363 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.783 -8.053 -3.029 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.025 -9.014 -1.737 1.00 0.00 H new ATOM 737 N LYS A 49 1.866 -13.061 -3.139 1.00 0.00 N ATOM 738 CA LYS A 49 2.672 -14.271 -3.241 1.00 0.00 C ATOM 739 C LYS A 49 4.012 -14.093 -2.534 1.00 0.00 C ATOM 740 O LYS A 49 5.026 -14.655 -2.952 1.00 0.00 O ATOM 741 CB LYS A 49 2.903 -14.634 -4.709 1.00 0.00 C ATOM 742 CG LYS A 49 1.618 -14.820 -5.499 1.00 0.00 C ATOM 743 CD LYS A 49 1.069 -16.228 -5.346 1.00 0.00 C ATOM 744 CE LYS A 49 0.037 -16.543 -6.418 1.00 0.00 C ATOM 745 NZ LYS A 49 0.653 -16.640 -7.770 1.00 0.00 N ATOM 0 H LYS A 49 0.968 -13.191 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 49 2.128 -15.081 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.498 -13.851 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.487 -15.553 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.874 -14.099 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.805 -14.614 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.886 -16.947 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.617 -16.338 -4.360 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.461 -17.482 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.729 -15.768 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.021 -17.172 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.802 -15.685 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.567 -17.131 -7.701 1.00 0.00 H new ATOM 759 N LEU A 50 4.010 -13.310 -1.461 1.00 0.00 N ATOM 760 CA LEU A 50 5.226 -13.059 -0.695 1.00 0.00 C ATOM 761 C LEU A 50 5.174 -13.765 0.656 1.00 0.00 C ATOM 762 O LEU A 50 4.237 -14.511 0.944 1.00 0.00 O ATOM 763 CB LEU A 50 5.422 -11.556 -0.490 1.00 0.00 C ATOM 764 CG LEU A 50 6.228 -10.830 -1.568 1.00 0.00 C ATOM 765 CD1 LEU A 50 6.162 -9.325 -1.362 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.673 -11.308 -1.566 1.00 0.00 C ATOM 0 H LEU A 50 3.180 -12.838 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 50 6.070 -13.456 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.440 -11.088 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.915 -11.402 0.470 1.00 0.00 H new ATOM 0 HG LEU A 50 5.791 -11.062 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.741 -8.826 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.124 -8.996 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.573 -9.073 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.232 -10.781 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.122 -11.107 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.702 -12.379 -1.764 1.00 0.00 H new ATOM 778 N THR A 51 6.186 -13.524 1.484 1.00 0.00 N ATOM 779 CA THR A 51 6.255 -14.136 2.805 1.00 0.00 C ATOM 780 C THR A 51 5.683 -13.209 3.871 1.00 0.00 C ATOM 781 O THR A 51 5.713 -11.987 3.725 1.00 0.00 O ATOM 782 CB THR A 51 7.704 -14.499 3.180 1.00 0.00 C ATOM 783 OG1 THR A 51 8.555 -13.361 3.007 1.00 0.00 O ATOM 784 CG2 THR A 51 8.211 -15.653 2.328 1.00 0.00 C ATOM 0 H THR A 51 6.969 -12.909 1.263 1.00 0.00 H new ATOM 0 HA THR A 51 5.659 -15.048 2.763 1.00 0.00 H new ATOM 0 HB THR A 51 7.719 -14.807 4.226 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.474 -13.600 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.236 -15.891 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.579 -16.527 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.182 -15.369 1.276 1.00 0.00 H new ATOM 792 N ARG A 52 5.163 -13.797 4.943 1.00 0.00 N ATOM 793 CA ARG A 52 4.583 -13.023 6.034 1.00 0.00 C ATOM 794 C ARG A 52 5.536 -11.920 6.484 1.00 0.00 C ATOM 795 O ARG A 52 5.106 -10.837 6.879 1.00 0.00 O ATOM 796 CB ARG A 52 4.249 -13.937 7.215 1.00 0.00 C ATOM 797 CG ARG A 52 5.460 -14.645 7.798 1.00 0.00 C ATOM 798 CD ARG A 52 5.083 -15.991 8.398 1.00 0.00 C ATOM 799 NE ARG A 52 4.214 -16.760 7.512 1.00 0.00 N ATOM 800 CZ ARG A 52 3.507 -17.813 7.908 1.00 0.00 C ATOM 801 NH1 ARG A 52 3.567 -18.219 9.169 1.00 0.00 N ATOM 802 NH2 ARG A 52 2.739 -18.462 7.042 1.00 0.00 N ATOM 0 H ARG A 52 5.131 -14.807 5.080 1.00 0.00 H new ATOM 0 HA ARG A 52 3.665 -12.561 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.773 -13.346 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.523 -14.683 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.208 -14.790 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.915 -14.018 8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.988 -16.563 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.581 -15.835 9.353 1.00 0.00 H new ATOM 0 HE ARG A 52 4.146 -16.473 6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.157 -17.723 9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.023 -19.028 9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.691 -18.153 6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.197 -19.270 7.347 1.00 0.00 H new ATOM 816 N ARG A 53 6.833 -12.204 6.421 1.00 0.00 N ATOM 817 CA ARG A 53 7.847 -11.237 6.824 1.00 0.00 C ATOM 818 C ARG A 53 7.957 -10.108 5.804 1.00 0.00 C ATOM 819 O ARG A 53 8.108 -8.942 6.169 1.00 0.00 O ATOM 820 CB ARG A 53 9.204 -11.926 6.986 1.00 0.00 C ATOM 821 CG ARG A 53 9.446 -12.473 8.384 1.00 0.00 C ATOM 822 CD ARG A 53 10.912 -12.812 8.603 1.00 0.00 C ATOM 823 NE ARG A 53 11.226 -14.176 8.185 1.00 0.00 N ATOM 824 CZ ARG A 53 10.745 -15.258 8.786 1.00 0.00 C ATOM 825 NH1 ARG A 53 9.931 -15.137 9.826 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.078 -16.465 8.347 1.00 0.00 N ATOM 0 H ARG A 53 7.206 -13.096 6.095 1.00 0.00 H new ATOM 0 HA ARG A 53 7.547 -10.811 7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.275 -12.743 6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.994 -11.216 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.127 -11.739 9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.838 -13.365 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.534 -12.110 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.159 -12.690 9.658 1.00 0.00 H new ATOM 0 HE ARG A 53 11.849 -14.304 7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.673 -14.211 10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.563 -15.970 10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.704 -16.562 7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.708 -17.296 8.809 1.00 0.00 H new ATOM 840 N GLU A 54 7.881 -10.463 4.525 1.00 0.00 N ATOM 841 CA GLU A 54 7.974 -9.479 3.453 1.00 0.00 C ATOM 842 C GLU A 54 6.836 -8.466 3.545 1.00 0.00 C ATOM 843 O GLU A 54 7.046 -7.264 3.376 1.00 0.00 O ATOM 844 CB GLU A 54 7.944 -10.173 2.090 1.00 0.00 C ATOM 845 CG GLU A 54 9.288 -10.742 1.668 1.00 0.00 C ATOM 846 CD GLU A 54 10.326 -9.665 1.418 1.00 0.00 C ATOM 847 OE1 GLU A 54 9.934 -8.493 1.236 1.00 0.00 O ATOM 848 OE2 GLU A 54 11.531 -9.994 1.404 1.00 0.00 O ATOM 0 H GLU A 54 7.755 -11.424 4.206 1.00 0.00 H new ATOM 0 HA GLU A 54 8.920 -8.949 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.210 -10.979 2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.607 -9.461 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.651 -11.418 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.159 -11.334 0.762 1.00 0.00 H new ATOM 855 N ILE A 55 5.632 -8.960 3.813 1.00 0.00 N ATOM 856 CA ILE A 55 4.462 -8.098 3.927 1.00 0.00 C ATOM 857 C ILE A 55 4.496 -7.294 5.223 1.00 0.00 C ATOM 858 O ILE A 55 4.546 -6.064 5.201 1.00 0.00 O ATOM 859 CB ILE A 55 3.156 -8.913 3.876 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.104 -9.755 2.599 1.00 0.00 C ATOM 861 CG2 ILE A 55 1.951 -7.988 3.956 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.133 -10.912 2.678 1.00 0.00 C ATOM 0 H ILE A 55 5.441 -9.952 3.955 1.00 0.00 H new ATOM 0 HA ILE A 55 4.488 -7.415 3.078 1.00 0.00 H new ATOM 0 HB ILE A 55 3.131 -9.585 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.826 -9.114 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.101 -10.142 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.036 -8.579 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.984 -7.428 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.969 -7.294 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.148 -11.465 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.422 -11.575 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.128 -10.532 2.859 1.00 0.00 H new ATOM 874 N ASP A 56 4.470 -7.997 6.349 1.00 0.00 N ATOM 875 CA ASP A 56 4.500 -7.349 7.656 1.00 0.00 C ATOM 876 C ASP A 56 5.550 -6.243 7.689 1.00 0.00 C ATOM 877 O ASP A 56 5.260 -5.110 8.071 1.00 0.00 O ATOM 878 CB ASP A 56 4.789 -8.376 8.751 1.00 0.00 C ATOM 879 CG ASP A 56 4.385 -7.884 10.127 1.00 0.00 C ATOM 880 OD1 ASP A 56 5.018 -6.930 10.625 1.00 0.00 O ATOM 881 OD2 ASP A 56 3.436 -8.454 10.706 1.00 0.00 O ATOM 0 H ASP A 56 4.428 -9.016 6.384 1.00 0.00 H new ATOM 0 HA ASP A 56 3.522 -6.903 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.256 -9.300 8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.853 -8.613 8.751 1.00 0.00 H new ATOM 886 N ALA A 57 6.771 -6.580 7.287 1.00 0.00 N ATOM 887 CA ALA A 57 7.864 -5.616 7.270 1.00 0.00 C ATOM 888 C ALA A 57 7.521 -4.414 6.396 1.00 0.00 C ATOM 889 O ALA A 57 7.714 -3.267 6.798 1.00 0.00 O ATOM 890 CB ALA A 57 9.144 -6.277 6.782 1.00 0.00 C ATOM 0 H ALA A 57 7.028 -7.514 6.968 1.00 0.00 H new ATOM 0 HA ALA A 57 8.018 -5.260 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.952 -5.545 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.406 -7.099 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.993 -6.661 5.773 1.00 0.00 H new ATOM 896 N TRP A 58 7.013 -4.685 5.199 1.00 0.00 N ATOM 897 CA TRP A 58 6.645 -3.624 4.267 1.00 0.00 C ATOM 898 C TRP A 58 5.717 -2.614 4.933 1.00 0.00 C ATOM 899 O TRP A 58 6.038 -1.429 5.025 1.00 0.00 O ATOM 900 CB TRP A 58 5.970 -4.217 3.029 1.00 0.00 C ATOM 901 CG TRP A 58 5.784 -3.224 1.922 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.687 -2.903 0.949 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.624 -2.422 1.676 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.158 -1.950 0.112 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.893 -1.638 0.537 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.383 -2.291 2.306 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.967 -0.738 0.017 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.466 -1.396 1.789 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.761 -0.629 0.654 1.00 0.00 C ATOM 0 H TRP A 58 6.846 -5.629 4.851 1.00 0.00 H new ATOM 0 HA TRP A 58 7.556 -3.108 3.963 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.568 -5.051 2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.998 -4.621 3.312 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.672 -3.335 0.852 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.630 -1.541 -0.694 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.145 -2.878 3.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.193 -0.147 -0.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.505 -1.286 2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.022 0.061 0.275 1.00 0.00 H new ATOM 920 N PHE A 59 4.565 -3.089 5.395 1.00 0.00 N ATOM 921 CA PHE A 59 3.591 -2.225 6.051 1.00 0.00 C ATOM 922 C PHE A 59 4.259 -1.362 7.117 1.00 0.00 C ATOM 923 O PHE A 59 4.061 -0.147 7.163 1.00 0.00 O ATOM 924 CB PHE A 59 2.478 -3.065 6.683 1.00 0.00 C ATOM 925 CG PHE A 59 1.405 -3.467 5.712 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.723 -4.166 4.559 1.00 0.00 C ATOM 927 CD2 PHE A 59 0.079 -3.147 5.953 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.738 -4.536 3.663 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.911 -3.515 5.061 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.581 -4.212 3.915 1.00 0.00 C ATOM 0 H PHE A 59 4.283 -4.067 5.327 1.00 0.00 H new ATOM 0 HA PHE A 59 3.159 -1.568 5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.915 -3.962 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.026 -2.500 7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.752 -4.425 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.185 -2.604 6.848 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.999 -5.078 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.941 -3.258 5.260 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.353 -4.503 3.218 1.00 0.00 H new ATOM 940 N THR A 60 5.053 -1.998 7.973 1.00 0.00 N ATOM 941 CA THR A 60 5.750 -1.290 9.040 1.00 0.00 C ATOM 942 C THR A 60 6.463 -0.053 8.504 1.00 0.00 C ATOM 943 O THR A 60 6.589 0.952 9.202 1.00 0.00 O ATOM 944 CB THR A 60 6.778 -2.199 9.739 1.00 0.00 C ATOM 945 OG1 THR A 60 6.141 -3.397 10.196 1.00 0.00 O ATOM 946 CG2 THR A 60 7.423 -1.481 10.915 1.00 0.00 C ATOM 0 H THR A 60 5.229 -3.002 7.948 1.00 0.00 H new ATOM 0 HA THR A 60 4.994 -0.985 9.764 1.00 0.00 H new ATOM 0 HB THR A 60 7.555 -2.454 9.018 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.979 -3.992 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.145 -2.142 11.393 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.931 -0.585 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.655 -1.201 11.636 1.00 0.00 H new ATOM 954 N GLU A 61 6.927 -0.135 7.261 1.00 0.00 N ATOM 955 CA GLU A 61 7.628 0.979 6.633 1.00 0.00 C ATOM 956 C GLU A 61 6.640 2.026 6.125 1.00 0.00 C ATOM 957 O GLU A 61 6.782 3.216 6.406 1.00 0.00 O ATOM 958 CB GLU A 61 8.495 0.477 5.476 1.00 0.00 C ATOM 959 CG GLU A 61 8.591 1.456 4.318 1.00 0.00 C ATOM 960 CD GLU A 61 9.931 1.395 3.612 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.947 1.774 4.231 1.00 0.00 O ATOM 962 OE2 GLU A 61 9.964 0.968 2.439 1.00 0.00 O ATOM 0 H GLU A 61 6.830 -0.960 6.669 1.00 0.00 H new ATOM 0 HA GLU A 61 8.268 1.442 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.498 0.268 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.088 -0.466 5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.797 1.244 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.425 2.468 4.688 1.00 0.00 H new ATOM 969 N LYS A 62 5.640 1.574 5.376 1.00 0.00 N ATOM 970 CA LYS A 62 4.628 2.470 4.829 1.00 0.00 C ATOM 971 C LYS A 62 4.124 3.437 5.896 1.00 0.00 C ATOM 972 O LYS A 62 3.778 4.580 5.598 1.00 0.00 O ATOM 973 CB LYS A 62 3.457 1.664 4.263 1.00 0.00 C ATOM 974 CG LYS A 62 3.617 1.310 2.794 1.00 0.00 C ATOM 975 CD LYS A 62 3.984 2.529 1.964 1.00 0.00 C ATOM 976 CE LYS A 62 3.540 2.372 0.517 1.00 0.00 C ATOM 977 NZ LYS A 62 3.575 3.667 -0.217 1.00 0.00 N ATOM 0 H LYS A 62 5.509 0.592 5.134 1.00 0.00 H new ATOM 0 HA LYS A 62 5.086 3.048 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.346 0.746 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.537 2.235 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.389 0.548 2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.688 0.879 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.520 3.417 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.062 2.684 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.186 1.652 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.529 1.966 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.266 3.518 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.939 4.346 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.545 4.042 -0.213 1.00 0.00 H new ATOM 991 N LYS A 63 4.086 2.972 7.140 1.00 0.00 N ATOM 992 CA LYS A 63 3.628 3.796 8.252 1.00 0.00 C ATOM 993 C LYS A 63 4.384 5.120 8.296 1.00 0.00 C ATOM 994 O LYS A 63 3.779 6.190 8.363 1.00 0.00 O ATOM 995 CB LYS A 63 3.808 3.049 9.575 1.00 0.00 C ATOM 996 CG LYS A 63 2.913 1.829 9.712 1.00 0.00 C ATOM 997 CD LYS A 63 3.292 0.992 10.922 1.00 0.00 C ATOM 998 CE LYS A 63 2.672 -0.395 10.857 1.00 0.00 C ATOM 999 NZ LYS A 63 3.414 -1.374 11.699 1.00 0.00 N ATOM 0 H LYS A 63 4.367 2.028 7.404 1.00 0.00 H new ATOM 0 HA LYS A 63 2.569 4.008 8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.849 2.738 9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.605 3.733 10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.874 2.147 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.985 1.221 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.377 0.904 10.980 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.964 1.496 11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.634 -0.345 11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.661 -0.740 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.418 -2.302 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.393 -1.048 11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.950 -1.456 12.626 1.00 0.00 H new ATOM 1013 N LYS A 64 5.710 5.040 8.257 1.00 0.00 N ATOM 1014 CA LYS A 64 6.549 6.232 8.290 1.00 0.00 C ATOM 1015 C LYS A 64 5.937 7.352 7.455 1.00 0.00 C ATOM 1016 O LYS A 64 5.875 8.501 7.892 1.00 0.00 O ATOM 1017 CB LYS A 64 7.953 5.906 7.774 1.00 0.00 C ATOM 1018 CG LYS A 64 8.724 4.952 8.670 1.00 0.00 C ATOM 1019 CD LYS A 64 9.959 4.407 7.973 1.00 0.00 C ATOM 1020 CE LYS A 64 10.713 3.427 8.859 1.00 0.00 C ATOM 1021 NZ LYS A 64 11.709 4.116 9.724 1.00 0.00 N ATOM 0 H LYS A 64 6.227 4.162 8.203 1.00 0.00 H new ATOM 0 HA LYS A 64 6.617 6.570 9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.873 5.471 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.518 6.833 7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.019 5.468 9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.077 4.126 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.667 3.911 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.617 5.232 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.005 2.883 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.221 2.690 8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.202 3.414 10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.400 4.615 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.222 4.801 10.337 1.00 0.00 H new ATOM 1035 N SER A 65 5.485 7.009 6.253 1.00 0.00 N ATOM 1036 CA SER A 65 4.879 7.987 5.357 1.00 0.00 C ATOM 1037 C SER A 65 3.848 8.835 6.095 1.00 0.00 C ATOM 1038 O SER A 65 3.822 10.059 5.961 1.00 0.00 O ATOM 1039 CB SER A 65 4.220 7.282 4.169 1.00 0.00 C ATOM 1040 OG SER A 65 4.227 8.108 3.018 1.00 0.00 O ATOM 0 H SER A 65 5.527 6.062 5.877 1.00 0.00 H new ATOM 0 HA SER A 65 5.668 8.644 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.747 6.352 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.194 7.016 4.423 1.00 0.00 H new ATOM 0 HG SER A 65 3.802 7.634 2.273 1.00 0.00 H new ATOM 1046 N LYS A 66 2.999 8.176 6.876 1.00 0.00 N ATOM 1047 CA LYS A 66 1.965 8.867 7.638 1.00 0.00 C ATOM 1048 C LYS A 66 2.514 9.368 8.970 1.00 0.00 C ATOM 1049 O LYS A 66 1.994 10.323 9.546 1.00 0.00 O ATOM 1050 CB LYS A 66 0.775 7.937 7.882 1.00 0.00 C ATOM 1051 CG LYS A 66 -0.553 8.665 7.994 1.00 0.00 C ATOM 1052 CD LYS A 66 -1.725 7.700 7.933 1.00 0.00 C ATOM 1053 CE LYS A 66 -2.104 7.194 9.317 1.00 0.00 C ATOM 1054 NZ LYS A 66 -3.062 8.108 9.998 1.00 0.00 N ATOM 0 H LYS A 66 3.006 7.163 6.998 1.00 0.00 H new ATOM 0 HA LYS A 66 1.633 9.726 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.716 7.215 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.948 7.372 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.586 9.221 8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.638 9.394 7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.583 8.196 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.469 6.855 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.547 6.202 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.205 7.091 9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.296 7.729 10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.630 9.049 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.930 8.186 9.431 1.00 0.00 H new ATOM 1068 N ALA A 67 3.569 8.718 9.452 1.00 0.00 N ATOM 1069 CA ALA A 67 4.190 9.101 10.714 1.00 0.00 C ATOM 1070 C ALA A 67 5.373 10.035 10.482 1.00 0.00 C ATOM 1071 O ALA A 67 6.291 10.105 11.300 1.00 0.00 O ATOM 1072 CB ALA A 67 4.634 7.863 11.480 1.00 0.00 C ATOM 0 H ALA A 67 4.011 7.924 8.988 1.00 0.00 H new ATOM 0 HA ALA A 67 3.449 9.636 11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.096 8.163 12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.769 7.233 11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.356 7.305 10.883 1.00 0.00 H new ATOM 1078 N LEU A 68 5.346 10.750 9.363 1.00 0.00 N ATOM 1079 CA LEU A 68 6.417 11.680 9.024 1.00 0.00 C ATOM 1080 C LEU A 68 6.525 12.790 10.065 1.00 0.00 C ATOM 1081 O LEU A 68 5.592 13.030 10.832 1.00 0.00 O ATOM 1082 CB LEU A 68 6.174 12.285 7.640 1.00 0.00 C ATOM 1083 CG LEU A 68 6.470 11.375 6.448 1.00 0.00 C ATOM 1084 CD1 LEU A 68 5.852 11.940 5.178 1.00 0.00 C ATOM 1085 CD2 LEU A 68 7.970 11.190 6.277 1.00 0.00 C ATOM 0 H LEU A 68 4.594 10.704 8.675 1.00 0.00 H new ATOM 0 HA LEU A 68 7.356 11.126 9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.132 12.600 7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.784 13.183 7.546 1.00 0.00 H new ATOM 0 HG LEU A 68 6.024 10.399 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.073 11.279 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.772 12.019 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.267 12.928 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.161 10.539 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.439 12.159 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.386 10.739 7.178 1.00 0.00 H new ATOM 1097 N LYS A 69 7.669 13.466 10.085 1.00 0.00 N ATOM 1098 CA LYS A 69 7.899 14.553 11.029 1.00 0.00 C ATOM 1099 C LYS A 69 7.393 15.878 10.467 1.00 0.00 C ATOM 1100 O LYS A 69 8.140 16.614 9.823 1.00 0.00 O ATOM 1101 CB LYS A 69 9.390 14.662 11.359 1.00 0.00 C ATOM 1102 CG LYS A 69 9.895 13.555 12.267 1.00 0.00 C ATOM 1103 CD LYS A 69 9.617 13.862 13.729 1.00 0.00 C ATOM 1104 CE LYS A 69 10.693 14.757 14.325 1.00 0.00 C ATOM 1105 NZ LYS A 69 10.382 16.200 14.133 1.00 0.00 N ATOM 0 H LYS A 69 8.452 13.280 9.458 1.00 0.00 H new ATOM 0 HA LYS A 69 7.346 14.332 11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.961 14.647 10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.579 15.625 11.834 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.417 12.614 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.967 13.423 12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.646 14.348 13.822 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.563 12.931 14.293 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.793 14.545 15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.653 14.528 13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.651 16.730 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.914 16.564 13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.363 16.316 13.961 1.00 0.00 H new ATOM 1119 N GLU A 70 6.122 16.175 10.717 1.00 0.00 N ATOM 1120 CA GLU A 70 5.518 17.412 10.235 1.00 0.00 C ATOM 1121 C GLU A 70 4.485 17.935 11.229 1.00 0.00 C ATOM 1122 O GLU A 70 3.454 17.304 11.457 1.00 0.00 O ATOM 1123 CB GLU A 70 4.863 17.188 8.871 1.00 0.00 C ATOM 1124 CG GLU A 70 5.860 17.013 7.738 1.00 0.00 C ATOM 1125 CD GLU A 70 5.229 16.423 6.491 1.00 0.00 C ATOM 1126 OE1 GLU A 70 4.061 16.760 6.202 1.00 0.00 O ATOM 1127 OE2 GLU A 70 5.902 15.626 5.805 1.00 0.00 O ATOM 0 H GLU A 70 5.491 15.577 11.250 1.00 0.00 H new ATOM 0 HA GLU A 70 6.307 18.157 10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.227 16.304 8.924 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.215 18.035 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.301 17.980 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.672 16.366 8.070 1.00 0.00 H new ATOM 1134 N GLU A 71 4.771 19.093 11.816 1.00 0.00 N ATOM 1135 CA GLU A 71 3.867 19.701 12.786 1.00 0.00 C ATOM 1136 C GLU A 71 2.937 20.703 12.109 1.00 0.00 C ATOM 1137 O GLU A 71 1.719 20.653 12.281 1.00 0.00 O ATOM 1138 CB GLU A 71 4.663 20.394 13.893 1.00 0.00 C ATOM 1139 CG GLU A 71 3.816 20.807 15.085 1.00 0.00 C ATOM 1140 CD GLU A 71 4.620 21.522 16.153 1.00 0.00 C ATOM 1141 OE1 GLU A 71 5.459 20.863 16.803 1.00 0.00 O ATOM 1142 OE2 GLU A 71 4.411 22.738 16.340 1.00 0.00 O ATOM 0 H GLU A 71 5.621 19.629 11.637 1.00 0.00 H new ATOM 0 HA GLU A 71 3.261 18.909 13.226 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.453 19.725 14.234 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.150 21.278 13.480 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.011 21.458 14.745 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.349 19.922 15.518 1.00 0.00 H new ATOM 1149 N LYS A 72 3.520 21.615 11.338 1.00 0.00 N ATOM 1150 CA LYS A 72 2.746 22.630 10.633 1.00 0.00 C ATOM 1151 C LYS A 72 3.024 22.583 9.134 1.00 0.00 C ATOM 1152 O LYS A 72 3.881 23.308 8.629 1.00 0.00 O ATOM 1153 CB LYS A 72 3.074 24.021 11.180 1.00 0.00 C ATOM 1154 CG LYS A 72 2.072 25.087 10.770 1.00 0.00 C ATOM 1155 CD LYS A 72 0.739 24.901 11.475 1.00 0.00 C ATOM 1156 CE LYS A 72 -0.336 25.796 10.879 1.00 0.00 C ATOM 1157 NZ LYS A 72 -1.705 25.333 11.239 1.00 0.00 N ATOM 0 H LYS A 72 4.527 21.672 11.186 1.00 0.00 H new ATOM 0 HA LYS A 72 1.688 22.422 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.117 23.974 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.065 24.314 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.473 26.073 11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.922 25.051 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.429 23.859 11.400 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.853 25.124 12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.194 26.818 11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.233 25.815 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.410 25.969 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.850 24.367 10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.813 25.339 12.273 1.00 0.00 H new ATOM 1171 N MET A 73 2.293 21.727 8.428 1.00 0.00 N ATOM 1172 CA MET A 73 2.460 21.588 6.986 1.00 0.00 C ATOM 1173 C MET A 73 1.945 22.825 6.258 1.00 0.00 C ATOM 1174 O MET A 73 2.587 23.325 5.335 1.00 0.00 O ATOM 1175 CB MET A 73 1.726 20.343 6.483 1.00 0.00 C ATOM 1176 CG MET A 73 2.348 19.039 6.955 1.00 0.00 C ATOM 1177 SD MET A 73 1.667 18.473 8.525 1.00 0.00 S ATOM 1178 CE MET A 73 0.045 17.914 8.009 1.00 0.00 C ATOM 0 H MET A 73 1.580 21.119 8.831 1.00 0.00 H new ATOM 0 HA MET A 73 3.525 21.482 6.777 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.689 20.383 6.816 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.711 20.355 5.393 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.191 18.271 6.197 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.425 19.171 7.057 1.00 0.00 H new ATOM 0 HE1 MET A 73 -0.365 17.242 8.763 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.615 18.773 7.890 1.00 0.00 H new ATOM 0 HE3 MET A 73 0.127 17.386 7.059 1.00 0.00 H new ATOM 1188 N GLU A 74 0.782 23.313 6.679 1.00 0.00 N ATOM 1189 CA GLU A 74 0.182 24.492 6.065 1.00 0.00 C ATOM 1190 C GLU A 74 0.974 25.749 6.410 1.00 0.00 C ATOM 1191 O GLU A 74 0.847 26.293 7.508 1.00 0.00 O ATOM 1192 CB GLU A 74 -1.270 24.649 6.522 1.00 0.00 C ATOM 1193 CG GLU A 74 -2.268 23.917 5.641 1.00 0.00 C ATOM 1194 CD GLU A 74 -2.300 24.455 4.224 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -2.320 25.693 4.059 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -2.305 23.638 3.279 1.00 0.00 O ATOM 0 H GLU A 74 0.237 22.911 7.442 1.00 0.00 H new ATOM 0 HA GLU A 74 0.203 24.357 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.362 24.281 7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.524 25.709 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.017 22.857 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.263 23.999 6.079 1.00 0.00 H new ATOM 1203 N ILE A 75 1.792 26.204 5.467 1.00 0.00 N ATOM 1204 CA ILE A 75 2.604 27.397 5.671 1.00 0.00 C ATOM 1205 C ILE A 75 1.771 28.539 6.242 1.00 0.00 C ATOM 1206 O ILE A 75 0.957 29.139 5.539 1.00 0.00 O ATOM 1207 CB ILE A 75 3.261 27.862 4.358 1.00 0.00 C ATOM 1208 CG1 ILE A 75 4.330 26.861 3.915 1.00 0.00 C ATOM 1209 CG2 ILE A 75 3.864 29.248 4.529 1.00 0.00 C ATOM 1210 CD1 ILE A 75 3.783 25.719 3.088 1.00 0.00 C ATOM 0 H ILE A 75 1.910 25.764 4.554 1.00 0.00 H new ATOM 0 HA ILE A 75 3.384 27.129 6.383 1.00 0.00 H new ATOM 0 HB ILE A 75 2.495 27.914 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.090 27.386 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.824 26.455 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.324 29.563 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.080 29.954 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.620 29.222 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.597 25.049 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.044 25.169 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.314 26.114 2.187 1.00 0.00 H new ATOM 1222 N ASP A 76 1.980 28.836 7.519 1.00 0.00 N ATOM 1223 CA ASP A 76 1.250 29.908 8.185 1.00 0.00 C ATOM 1224 C ASP A 76 2.116 30.576 9.249 1.00 0.00 C ATOM 1225 O ASP A 76 3.241 30.150 9.504 1.00 0.00 O ATOM 1226 CB ASP A 76 -0.031 29.365 8.819 1.00 0.00 C ATOM 1227 CG ASP A 76 -1.208 29.395 7.864 1.00 0.00 C ATOM 1228 OD1 ASP A 76 -1.202 28.613 6.890 1.00 0.00 O ATOM 1229 OD2 ASP A 76 -2.136 30.200 8.091 1.00 0.00 O ATOM 0 H ASP A 76 2.650 28.349 8.115 1.00 0.00 H new ATOM 0 HA ASP A 76 0.986 30.654 7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.138 28.341 9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.271 29.952 9.705 1.00 0.00 H new ATOM 1234 N GLU A 77 1.582 31.627 9.865 1.00 0.00 N ATOM 1235 CA GLU A 77 2.308 32.354 10.899 1.00 0.00 C ATOM 1236 C GLU A 77 2.736 31.417 12.025 1.00 0.00 C ATOM 1237 O GLU A 77 1.947 30.600 12.500 1.00 0.00 O ATOM 1238 CB GLU A 77 1.442 33.483 11.462 1.00 0.00 C ATOM 1239 CG GLU A 77 0.131 33.004 12.063 1.00 0.00 C ATOM 1240 CD GLU A 77 -0.444 33.985 13.066 1.00 0.00 C ATOM 1241 OE1 GLU A 77 0.165 34.158 14.142 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -1.503 34.579 12.774 1.00 0.00 O ATOM 0 H GLU A 77 0.651 31.993 9.666 1.00 0.00 H new ATOM 0 HA GLU A 77 3.203 32.782 10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.008 34.017 12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.228 34.196 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.592 32.841 11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.289 32.042 12.551 1.00 0.00 H new ATOM 1249 N SER A 78 3.990 31.542 12.446 1.00 0.00 N ATOM 1250 CA SER A 78 4.525 30.704 13.513 1.00 0.00 C ATOM 1251 C SER A 78 5.895 31.204 13.961 1.00 0.00 C ATOM 1252 O SER A 78 6.517 32.028 13.292 1.00 0.00 O ATOM 1253 CB SER A 78 4.628 29.251 13.045 1.00 0.00 C ATOM 1254 OG SER A 78 5.629 29.104 12.053 1.00 0.00 O ATOM 0 H SER A 78 4.655 32.215 12.065 1.00 0.00 H new ATOM 0 HA SER A 78 3.843 30.758 14.361 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.856 28.607 13.895 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.667 28.925 12.647 1.00 0.00 H new ATOM 0 HG SER A 78 5.676 28.166 11.772 1.00 0.00 H new ATOM 1260 N ASN A 79 6.359 30.699 15.100 1.00 0.00 N ATOM 1261 CA ASN A 79 7.655 31.095 15.640 1.00 0.00 C ATOM 1262 C ASN A 79 8.540 29.875 15.877 1.00 0.00 C ATOM 1263 O ASN A 79 8.136 28.922 16.541 1.00 0.00 O ATOM 1264 CB ASN A 79 7.472 31.868 16.948 1.00 0.00 C ATOM 1265 CG ASN A 79 6.864 31.014 18.044 1.00 0.00 C ATOM 1266 OD1 ASN A 79 5.734 30.540 17.923 1.00 0.00 O ATOM 1267 ND2 ASN A 79 7.615 30.812 19.121 1.00 0.00 N ATOM 0 H ASN A 79 5.857 30.015 15.666 1.00 0.00 H new ATOM 0 HA ASN A 79 8.143 31.741 14.910 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.438 32.248 17.281 1.00 0.00 H new ATOM 0 HB3 ASN A 79 6.834 32.733 16.769 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.261 30.244 19.891 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.546 31.225 19.178 1.00 0.00 H new ATOM 1274 N ALA A 80 9.750 29.914 15.328 1.00 0.00 N ATOM 1275 CA ALA A 80 10.694 28.814 15.482 1.00 0.00 C ATOM 1276 C ALA A 80 12.055 29.319 15.949 1.00 0.00 C ATOM 1277 O ALA A 80 12.261 30.522 16.106 1.00 0.00 O ATOM 1278 CB ALA A 80 10.833 28.051 14.173 1.00 0.00 C ATOM 0 H ALA A 80 10.099 30.695 14.773 1.00 0.00 H new ATOM 0 HA ALA A 80 10.305 28.139 16.244 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.541 27.232 14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.863 27.649 13.881 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.195 28.724 13.396 1.00 0.00 H new ATOM 1284 N GLY A 81 12.982 28.392 16.170 1.00 0.00 N ATOM 1285 CA GLY A 81 14.311 28.764 16.617 1.00 0.00 C ATOM 1286 C GLY A 81 15.243 27.572 16.721 1.00 0.00 C ATOM 1287 O GLY A 81 14.797 26.425 16.711 1.00 0.00 O ATOM 0 H GLY A 81 12.836 27.390 16.047 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.733 29.492 15.924 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.241 29.252 17.589 1.00 0.00 H new ATOM 1291 N SER A 82 16.540 27.844 16.817 1.00 0.00 N ATOM 1292 CA SER A 82 17.537 26.785 16.917 1.00 0.00 C ATOM 1293 C SER A 82 18.905 27.358 17.274 1.00 0.00 C ATOM 1294 O SER A 82 19.283 28.431 16.803 1.00 0.00 O ATOM 1295 CB SER A 82 17.625 26.012 15.599 1.00 0.00 C ATOM 1296 OG SER A 82 18.250 26.788 14.593 1.00 0.00 O ATOM 0 H SER A 82 16.925 28.788 16.828 1.00 0.00 H new ATOM 0 HA SER A 82 17.229 26.104 17.710 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.185 25.090 15.752 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.625 25.727 15.274 1.00 0.00 H new ATOM 0 HG SER A 82 18.295 26.271 13.762 1.00 0.00 H new ATOM 1302 N SER A 83 19.643 26.635 18.111 1.00 0.00 N ATOM 1303 CA SER A 83 20.967 27.073 18.536 1.00 0.00 C ATOM 1304 C SER A 83 21.919 25.886 18.657 1.00 0.00 C ATOM 1305 O SER A 83 21.498 24.766 18.945 1.00 0.00 O ATOM 1306 CB SER A 83 20.879 27.809 19.874 1.00 0.00 C ATOM 1307 OG SER A 83 21.974 28.693 20.043 1.00 0.00 O ATOM 0 H SER A 83 19.346 25.744 18.508 1.00 0.00 H new ATOM 0 HA SER A 83 21.357 27.754 17.780 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.945 28.368 19.924 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.862 27.086 20.690 1.00 0.00 H new ATOM 0 HG SER A 83 21.894 29.152 20.905 1.00 0.00 H new ATOM 1313 N SER A 84 23.204 26.141 18.433 1.00 0.00 N ATOM 1314 CA SER A 84 24.216 25.094 18.513 1.00 0.00 C ATOM 1315 C SER A 84 25.483 25.613 19.187 1.00 0.00 C ATOM 1316 O SER A 84 25.576 26.789 19.537 1.00 0.00 O ATOM 1317 CB SER A 84 24.547 24.568 17.115 1.00 0.00 C ATOM 1318 OG SER A 84 25.051 25.602 16.287 1.00 0.00 O ATOM 0 H SER A 84 23.569 27.063 18.195 1.00 0.00 H new ATOM 0 HA SER A 84 23.814 24.279 19.114 1.00 0.00 H new ATOM 0 HB2 SER A 84 25.282 23.766 17.189 1.00 0.00 H new ATOM 0 HB3 SER A 84 23.652 24.139 16.663 1.00 0.00 H new ATOM 0 HG SER A 84 25.256 25.240 15.400 1.00 0.00 H new ATOM 1324 N GLY A 85 26.457 24.726 19.365 1.00 0.00 N ATOM 1325 CA GLY A 85 27.705 25.112 19.996 1.00 0.00 C ATOM 1326 C GLY A 85 28.802 24.087 19.786 1.00 0.00 C ATOM 1327 O GLY A 85 28.560 22.880 19.780 1.00 0.00 O ATOM 0 H GLY A 85 26.404 23.747 19.083 1.00 0.00 H new ATOM 0 HA2 GLY A 85 28.029 26.073 19.596 1.00 0.00 H new ATOM 0 HA3 GLY A 85 27.541 25.250 21.065 1.00 0.00 H new ATOM 1331 N PRO A 86 30.041 24.569 19.607 1.00 0.00 N ATOM 1332 CA PRO A 86 31.204 23.702 19.391 1.00 0.00 C ATOM 1333 C PRO A 86 31.584 22.919 20.643 1.00 0.00 C ATOM 1334 O PRO A 86 30.985 23.097 21.704 1.00 0.00 O ATOM 1335 CB PRO A 86 32.315 24.686 19.018 1.00 0.00 C ATOM 1336 CG PRO A 86 31.906 25.975 19.643 1.00 0.00 C ATOM 1337 CD PRO A 86 30.403 25.996 19.602 1.00 0.00 C ATOM 0 HA PRO A 86 31.013 22.945 18.630 1.00 0.00 H new ATOM 0 HB2 PRO A 86 33.282 24.353 19.395 1.00 0.00 H new ATOM 0 HB3 PRO A 86 32.411 24.783 17.937 1.00 0.00 H new ATOM 0 HG2 PRO A 86 32.269 26.044 20.668 1.00 0.00 H new ATOM 0 HG3 PRO A 86 32.323 26.822 19.099 1.00 0.00 H new ATOM 0 HD2 PRO A 86 29.985 26.519 20.462 1.00 0.00 H new ATOM 0 HD3 PRO A 86 30.032 26.501 18.710 1.00 0.00 H new ATOM 1345 N SER A 87 32.583 22.052 20.513 1.00 0.00 N ATOM 1346 CA SER A 87 33.040 21.239 21.634 1.00 0.00 C ATOM 1347 C SER A 87 34.532 21.444 21.881 1.00 0.00 C ATOM 1348 O SER A 87 35.255 21.930 21.011 1.00 0.00 O ATOM 1349 CB SER A 87 32.754 19.760 21.369 1.00 0.00 C ATOM 1350 OG SER A 87 31.381 19.465 21.555 1.00 0.00 O ATOM 0 H SER A 87 33.091 21.894 19.643 1.00 0.00 H new ATOM 0 HA SER A 87 32.495 21.553 22.524 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.049 19.506 20.351 1.00 0.00 H new ATOM 0 HB3 SER A 87 33.355 19.145 22.038 1.00 0.00 H new ATOM 0 HG SER A 87 31.224 18.514 21.378 1.00 0.00 H new ATOM 1356 N SER A 88 34.985 21.070 23.073 1.00 0.00 N ATOM 1357 CA SER A 88 36.389 21.216 23.437 1.00 0.00 C ATOM 1358 C SER A 88 37.169 19.945 23.112 1.00 0.00 C ATOM 1359 O SER A 88 38.072 19.955 22.276 1.00 0.00 O ATOM 1360 CB SER A 88 36.521 21.541 24.926 1.00 0.00 C ATOM 1361 OG SER A 88 36.342 22.927 25.163 1.00 0.00 O ATOM 0 H SER A 88 34.400 20.664 23.803 1.00 0.00 H new ATOM 0 HA SER A 88 36.806 22.038 22.855 1.00 0.00 H new ATOM 0 HB2 SER A 88 35.782 20.974 25.492 1.00 0.00 H new ATOM 0 HB3 SER A 88 37.503 21.232 25.283 1.00 0.00 H new ATOM 0 HG SER A 88 36.429 23.109 26.122 1.00 0.00 H new ATOM 1367 N GLY A 89 36.813 18.852 23.780 1.00 0.00 N ATOM 1368 CA GLY A 89 37.489 17.589 23.549 1.00 0.00 C ATOM 1369 C GLY A 89 37.463 16.686 24.767 1.00 0.00 C ATOM 1370 O GLY A 89 38.128 15.651 24.795 1.00 0.00 O ATOM 0 H GLY A 89 36.069 18.819 24.477 1.00 0.00 H new ATOM 0 HA2 GLY A 89 37.018 17.076 22.710 1.00 0.00 H new ATOM 0 HA3 GLY A 89 38.524 17.781 23.265 1.00 0.00 H new TER 1374 GLY A 89