USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 897 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 11 GLN : amide:sc= 0.163 K(o=3.7,f=-1.2!) USER MOD Set 1.2: A 106 THR OG1 : rot -81:sc= 2.43 USER MOD Set 1.3: A 109 SER OG : rot -99:sc= 1.13 USER MOD Set 2.1: A 62 SER OG : rot 135:sc= 0.637 USER MOD Set 2.2: A 90 ASN : amide:sc= 1.19 K(o=1.8,f=-2.9!) USER MOD Single : A 1 SER N :NH3+ -112:sc= 0.0142 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 68:sc= 1.21 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -5:sc= 0.0877 USER MOD Single : A 24 ASN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -157:sc= 1.24 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 1.86 (180deg=1.83) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -130:sc= 0.659 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -81:sc= 1.18 USER MOD Single : A 91 GLN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -24:sc= -0.241 USER MOD Single : A 100 THR OG1 : rot -47:sc= 0.244 USER MOD Single : A 101 HIS : no HE2:sc= 0.828 K(o=0.83,f=-3.4!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.012 -5.520 14.858 1.00 2.14 N ATOM 2 CA SER A 1 17.667 -4.218 15.120 1.00 1.78 C ATOM 3 C SER A 1 18.533 -3.732 13.936 1.00 2.37 C ATOM 4 O SER A 1 19.045 -4.536 13.150 1.00 4.23 O ATOM 5 CB SER A 1 18.473 -4.269 16.416 1.00 2.23 C ATOM 6 OG SER A 1 19.032 -3.003 16.712 1.00 2.59 O ATOM 0 H1 SER A 1 15.984 -5.382 14.780 1.00 2.14 H new ATOM 0 H2 SER A 1 17.376 -5.919 13.969 1.00 2.14 H new ATOM 0 H3 SER A 1 17.215 -6.175 15.640 1.00 2.14 H new ATOM 0 HA SER A 1 16.872 -3.482 15.236 1.00 1.78 H new ATOM 0 HB2 SER A 1 17.830 -4.588 17.236 1.00 2.23 H new ATOM 0 HB3 SER A 1 19.267 -5.010 16.326 1.00 2.23 H new ATOM 0 HG SER A 1 19.543 -3.058 17.547 1.00 2.59 H new ATOM 12 N GLU A 2 18.685 -2.409 13.798 1.00 2.10 N ATOM 13 CA GLU A 2 19.233 -1.668 12.645 1.00 2.33 C ATOM 14 C GLU A 2 18.317 -1.730 11.403 1.00 2.17 C ATOM 15 O GLU A 2 17.933 -0.686 10.872 1.00 2.29 O ATOM 16 CB GLU A 2 20.708 -2.043 12.384 1.00 3.01 C ATOM 17 CG GLU A 2 21.413 -1.084 11.419 1.00 2.84 C ATOM 18 CD GLU A 2 22.920 -1.364 11.360 1.00 4.00 C ATOM 19 OE1 GLU A 2 23.381 -2.173 10.518 1.00 4.62 O ATOM 20 OE2 GLU A 2 23.686 -0.753 12.142 1.00 4.94 O ATOM 0 H GLU A 2 18.407 -1.775 14.547 1.00 2.10 H new ATOM 0 HA GLU A 2 19.245 -0.609 12.904 1.00 2.33 H new ATOM 0 HB2 GLU A 2 21.246 -2.055 13.332 1.00 3.01 H new ATOM 0 HB3 GLU A 2 20.753 -3.054 11.979 1.00 3.01 H new ATOM 0 HG2 GLU A 2 20.983 -1.185 10.423 1.00 2.84 H new ATOM 0 HG3 GLU A 2 21.244 -0.055 11.737 1.00 2.84 H new ATOM 27 N ALA A 3 17.857 -2.919 11.002 1.00 1.98 N ATOM 28 CA ALA A 3 16.811 -3.096 9.985 1.00 1.92 C ATOM 29 C ALA A 3 15.394 -2.703 10.477 1.00 1.63 C ATOM 30 O ALA A 3 14.473 -2.561 9.673 1.00 1.62 O ATOM 31 CB ALA A 3 16.867 -4.544 9.484 1.00 2.01 C ATOM 0 H ALA A 3 18.205 -3.800 11.379 1.00 1.98 H new ATOM 0 HA ALA A 3 17.010 -2.409 9.163 1.00 1.92 H new ATOM 0 HB1 ALA A 3 16.098 -4.697 8.727 1.00 2.01 H new ATOM 0 HB2 ALA A 3 17.847 -4.741 9.050 1.00 2.01 H new ATOM 0 HB3 ALA A 3 16.696 -5.224 10.318 1.00 2.01 H new ATOM 37 N LEU A 4 15.214 -2.489 11.786 1.00 1.51 N ATOM 38 CA LEU A 4 13.927 -2.242 12.449 1.00 1.29 C ATOM 39 C LEU A 4 13.229 -0.994 11.888 1.00 1.11 C ATOM 40 O LEU A 4 12.015 -0.996 11.687 1.00 1.26 O ATOM 41 CB LEU A 4 14.196 -2.100 13.965 1.00 1.40 C ATOM 42 CG LEU A 4 12.945 -1.946 14.855 1.00 1.37 C ATOM 43 CD1 LEU A 4 12.339 -3.299 15.225 1.00 1.60 C ATOM 44 CD2 LEU A 4 13.316 -1.253 16.164 1.00 1.90 C ATOM 0 H LEU A 4 15.996 -2.483 12.441 1.00 1.51 H new ATOM 0 HA LEU A 4 13.251 -3.077 12.263 1.00 1.29 H new ATOM 0 HB2 LEU A 4 14.752 -2.975 14.300 1.00 1.40 H new ATOM 0 HB3 LEU A 4 14.840 -1.234 14.122 1.00 1.40 H new ATOM 0 HG LEU A 4 12.224 -1.363 14.282 1.00 1.37 H new ATOM 0 HD11 LEU A 4 11.461 -3.145 15.852 1.00 1.60 H new ATOM 0 HD12 LEU A 4 12.049 -3.828 14.317 1.00 1.60 H new ATOM 0 HD13 LEU A 4 13.075 -3.890 15.770 1.00 1.60 H new ATOM 0 HD21 LEU A 4 12.427 -1.149 16.785 1.00 1.90 H new ATOM 0 HD22 LEU A 4 14.060 -1.848 16.693 1.00 1.90 H new ATOM 0 HD23 LEU A 4 13.726 -0.266 15.950 1.00 1.90 H new ATOM 56 N ALA A 5 13.989 0.058 11.566 1.00 1.09 N ATOM 57 CA ALA A 5 13.437 1.298 11.033 1.00 1.08 C ATOM 58 C ALA A 5 12.898 1.151 9.597 1.00 0.96 C ATOM 59 O ALA A 5 12.076 1.971 9.177 1.00 1.07 O ATOM 60 CB ALA A 5 14.517 2.383 11.127 1.00 1.34 C ATOM 0 H ALA A 5 15.004 0.069 11.669 1.00 1.09 H new ATOM 0 HA ALA A 5 12.570 1.580 11.631 1.00 1.08 H new ATOM 0 HB1 ALA A 5 14.126 3.321 10.733 1.00 1.34 H new ATOM 0 HB2 ALA A 5 14.806 2.519 12.169 1.00 1.34 H new ATOM 0 HB3 ALA A 5 15.388 2.081 10.546 1.00 1.34 H new ATOM 66 N LYS A 6 13.291 0.114 8.835 1.00 0.86 N ATOM 67 CA LYS A 6 12.859 -0.089 7.447 1.00 0.95 C ATOM 68 C LYS A 6 11.349 -0.259 7.332 1.00 0.83 C ATOM 69 O LYS A 6 10.746 0.282 6.415 1.00 0.97 O ATOM 70 CB LYS A 6 13.617 -1.305 6.899 1.00 1.15 C ATOM 71 CG LYS A 6 13.476 -1.461 5.382 1.00 1.55 C ATOM 72 CD LYS A 6 14.501 -2.485 4.891 1.00 2.08 C ATOM 73 CE LYS A 6 14.396 -2.651 3.377 1.00 2.50 C ATOM 74 NZ LYS A 6 15.561 -3.398 2.855 1.00 3.00 N ATOM 0 H LYS A 6 13.924 -0.612 9.172 1.00 0.86 H new ATOM 0 HA LYS A 6 13.093 0.796 6.855 1.00 0.95 H new ATOM 0 HB2 LYS A 6 14.673 -1.213 7.153 1.00 1.15 H new ATOM 0 HB3 LYS A 6 13.249 -2.207 7.388 1.00 1.15 H new ATOM 0 HG2 LYS A 6 12.467 -1.787 5.129 1.00 1.55 H new ATOM 0 HG3 LYS A 6 13.635 -0.502 4.888 1.00 1.55 H new ATOM 0 HD2 LYS A 6 15.507 -2.162 5.160 1.00 2.08 H new ATOM 0 HD3 LYS A 6 14.332 -3.443 5.382 1.00 2.08 H new ATOM 0 HE2 LYS A 6 13.476 -3.179 3.126 1.00 2.50 H new ATOM 0 HE3 LYS A 6 14.341 -1.672 2.901 1.00 2.50 H new ATOM 0 HZ1 LYS A 6 15.473 -3.502 1.824 1.00 3.00 H new ATOM 0 HZ2 LYS A 6 16.434 -2.879 3.078 1.00 3.00 H new ATOM 0 HZ3 LYS A 6 15.596 -4.339 3.296 1.00 3.00 H new ATOM 88 N LEU A 7 10.723 -0.928 8.301 1.00 0.72 N ATOM 89 CA LEU A 7 9.282 -1.195 8.310 1.00 0.85 C ATOM 90 C LEU A 7 8.470 0.111 8.403 1.00 0.91 C ATOM 91 O LEU A 7 7.505 0.291 7.666 1.00 1.06 O ATOM 92 CB LEU A 7 8.954 -2.167 9.459 1.00 0.87 C ATOM 93 CG LEU A 7 9.319 -3.655 9.257 1.00 1.03 C ATOM 94 CD1 LEU A 7 8.524 -4.305 8.121 1.00 1.26 C ATOM 95 CD2 LEU A 7 10.798 -3.900 8.962 1.00 1.04 C ATOM 0 H LEU A 7 11.209 -1.306 9.114 1.00 0.72 H new ATOM 0 HA LEU A 7 8.996 -1.664 7.369 1.00 0.85 H new ATOM 0 HB2 LEU A 7 9.464 -1.814 10.355 1.00 0.87 H new ATOM 0 HB3 LEU A 7 7.884 -2.106 9.656 1.00 0.87 H new ATOM 0 HG LEU A 7 9.065 -4.106 10.216 1.00 1.03 H new ATOM 0 HD11 LEU A 7 8.819 -5.350 8.022 1.00 1.26 H new ATOM 0 HD12 LEU A 7 7.459 -4.248 8.344 1.00 1.26 H new ATOM 0 HD13 LEU A 7 8.728 -3.780 7.188 1.00 1.26 H new ATOM 0 HD21 LEU A 7 10.971 -4.968 8.833 1.00 1.04 H new ATOM 0 HD22 LEU A 7 11.079 -3.374 8.049 1.00 1.04 H new ATOM 0 HD23 LEU A 7 11.400 -3.532 9.793 1.00 1.04 H new ATOM 107 N ILE A 8 8.898 1.053 9.248 1.00 0.88 N ATOM 108 CA ILE A 8 8.312 2.403 9.314 1.00 0.97 C ATOM 109 C ILE A 8 8.695 3.252 8.084 1.00 0.92 C ATOM 110 O ILE A 8 7.860 3.992 7.553 1.00 0.95 O ATOM 111 CB ILE A 8 8.679 3.092 10.649 1.00 1.12 C ATOM 112 CG1 ILE A 8 8.227 2.261 11.874 1.00 1.32 C ATOM 113 CG2 ILE A 8 8.087 4.511 10.728 1.00 1.23 C ATOM 114 CD1 ILE A 8 6.713 2.048 12.034 1.00 1.51 C ATOM 0 H ILE A 8 9.661 0.905 9.908 1.00 0.88 H new ATOM 0 HA ILE A 8 7.227 2.305 9.288 1.00 0.97 H new ATOM 0 HB ILE A 8 9.766 3.164 10.673 1.00 1.12 H new ATOM 0 HG12 ILE A 8 8.706 1.283 11.819 1.00 1.32 H new ATOM 0 HG13 ILE A 8 8.601 2.749 12.774 1.00 1.32 H new ATOM 0 HG21 ILE A 8 8.363 4.968 11.678 1.00 1.23 H new ATOM 0 HG22 ILE A 8 8.477 5.114 9.908 1.00 1.23 H new ATOM 0 HG23 ILE A 8 7.001 4.457 10.653 1.00 1.23 H new ATOM 0 HD11 ILE A 8 6.522 1.452 12.927 1.00 1.51 H new ATOM 0 HD12 ILE A 8 6.218 3.014 12.130 1.00 1.51 H new ATOM 0 HD13 ILE A 8 6.325 1.526 11.159 1.00 1.51 H new ATOM 126 N SER A 9 9.922 3.096 7.572 1.00 0.90 N ATOM 127 CA SER A 9 10.451 3.866 6.434 1.00 0.97 C ATOM 128 C SER A 9 9.763 3.517 5.105 1.00 0.95 C ATOM 129 O SER A 9 9.601 4.384 4.239 1.00 1.00 O ATOM 130 CB SER A 9 11.959 3.626 6.274 1.00 1.12 C ATOM 131 OG SER A 9 12.691 3.956 7.442 1.00 1.31 O ATOM 0 H SER A 9 10.589 2.419 7.942 1.00 0.90 H new ATOM 0 HA SER A 9 10.249 4.913 6.661 1.00 0.97 H new ATOM 0 HB2 SER A 9 12.132 2.579 6.025 1.00 1.12 H new ATOM 0 HB3 SER A 9 12.331 4.218 5.438 1.00 1.12 H new ATOM 0 HG SER A 9 12.463 3.328 8.159 1.00 1.31 H new ATOM 137 N LEU A 10 9.317 2.263 4.963 1.00 0.97 N ATOM 138 CA LEU A 10 8.640 1.702 3.791 1.00 1.14 C ATOM 139 C LEU A 10 7.285 2.364 3.508 1.00 1.19 C ATOM 140 O LEU A 10 6.888 2.447 2.347 1.00 1.29 O ATOM 141 CB LEU A 10 8.420 0.189 4.041 1.00 1.22 C ATOM 142 CG LEU A 10 9.571 -0.731 3.591 1.00 1.49 C ATOM 143 CD1 LEU A 10 9.491 -2.075 4.314 1.00 2.33 C ATOM 144 CD2 LEU A 10 9.478 -1.057 2.101 1.00 1.20 C ATOM 0 H LEU A 10 9.426 1.574 5.707 1.00 0.97 H new ATOM 0 HA LEU A 10 9.271 1.884 2.921 1.00 1.14 H new ATOM 0 HB2 LEU A 10 8.251 0.035 5.107 1.00 1.22 H new ATOM 0 HB3 LEU A 10 7.510 -0.118 3.526 1.00 1.22 H new ATOM 0 HG LEU A 10 10.495 -0.199 3.816 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.311 -2.714 3.986 1.00 2.33 H new ATOM 0 HD12 LEU A 10 9.564 -1.914 5.390 1.00 2.33 H new ATOM 0 HD13 LEU A 10 8.541 -2.556 4.083 1.00 2.33 H new ATOM 0 HD21 LEU A 10 10.306 -1.708 1.819 1.00 1.20 H new ATOM 0 HD22 LEU A 10 8.534 -1.562 1.897 1.00 1.20 H new ATOM 0 HD23 LEU A 10 9.528 -0.134 1.523 1.00 1.20 H new ATOM 156 N GLN A 11 6.552 2.804 4.537 1.00 1.20 N ATOM 157 CA GLN A 11 5.166 3.259 4.380 1.00 1.35 C ATOM 158 C GLN A 11 5.078 4.670 3.785 1.00 1.32 C ATOM 159 O GLN A 11 5.726 5.594 4.280 1.00 1.36 O ATOM 160 CB GLN A 11 4.400 3.133 5.703 1.00 1.52 C ATOM 161 CG GLN A 11 4.268 1.654 6.091 1.00 1.59 C ATOM 162 CD GLN A 11 3.024 1.375 6.913 1.00 2.15 C ATOM 163 OE1 GLN A 11 1.968 1.081 6.375 1.00 3.32 O ATOM 164 NE2 GLN A 11 3.052 1.494 8.217 1.00 2.22 N ATOM 0 H GLN A 11 6.899 2.855 5.495 1.00 1.20 H new ATOM 0 HA GLN A 11 4.683 2.602 3.656 1.00 1.35 H new ATOM 0 HB2 GLN A 11 4.922 3.679 6.489 1.00 1.52 H new ATOM 0 HB3 GLN A 11 3.412 3.582 5.605 1.00 1.52 H new ATOM 0 HG2 GLN A 11 4.245 1.046 5.187 1.00 1.59 H new ATOM 0 HG3 GLN A 11 5.149 1.351 6.657 1.00 1.59 H new ATOM 0 HE21 GLN A 11 3.923 1.739 8.688 1.00 2.22 H new ATOM 0 HE22 GLN A 11 2.203 1.342 8.761 1.00 2.22 H new ATOM 173 N ALA A 12 4.255 4.827 2.741 1.00 1.44 N ATOM 174 CA ALA A 12 4.078 6.087 2.017 1.00 1.38 C ATOM 175 C ALA A 12 3.233 7.111 2.799 1.00 1.47 C ATOM 176 O ALA A 12 2.417 6.747 3.650 1.00 2.25 O ATOM 177 CB ALA A 12 3.525 5.788 0.620 1.00 1.57 C ATOM 0 H ALA A 12 3.684 4.067 2.371 1.00 1.44 H new ATOM 0 HA ALA A 12 5.049 6.569 1.906 1.00 1.38 H new ATOM 0 HB1 ALA A 12 3.390 6.722 0.074 1.00 1.57 H new ATOM 0 HB2 ALA A 12 4.225 5.150 0.080 1.00 1.57 H new ATOM 0 HB3 ALA A 12 2.565 5.279 0.710 1.00 1.57 H new ATOM 183 N THR A 13 3.417 8.396 2.478 1.00 1.30 N ATOM 184 CA THR A 13 2.920 9.539 3.272 1.00 1.31 C ATOM 185 C THR A 13 1.752 10.318 2.636 1.00 1.11 C ATOM 186 O THR A 13 1.194 11.232 3.243 1.00 1.10 O ATOM 187 CB THR A 13 4.103 10.472 3.599 1.00 1.46 C ATOM 188 OG1 THR A 13 5.263 9.730 3.938 1.00 2.10 O ATOM 189 CG2 THR A 13 3.842 11.388 4.790 1.00 1.74 C ATOM 0 H THR A 13 3.926 8.683 1.642 1.00 1.30 H new ATOM 0 HA THR A 13 2.493 9.122 4.184 1.00 1.31 H new ATOM 0 HB THR A 13 4.238 11.063 2.693 1.00 1.46 H new ATOM 0 HG1 THR A 13 5.998 10.346 4.139 1.00 2.10 H new ATOM 0 HG21 THR A 13 4.715 12.017 4.964 1.00 1.74 H new ATOM 0 HG22 THR A 13 2.977 12.018 4.582 1.00 1.74 H new ATOM 0 HG23 THR A 13 3.647 10.785 5.677 1.00 1.74 H new ATOM 197 N GLU A 14 1.351 9.982 1.412 1.00 1.07 N ATOM 198 CA GLU A 14 0.245 10.629 0.677 1.00 0.95 C ATOM 199 C GLU A 14 -0.618 9.647 -0.139 1.00 0.87 C ATOM 200 O GLU A 14 -0.174 8.540 -0.454 1.00 0.98 O ATOM 201 CB GLU A 14 0.782 11.777 -0.200 1.00 1.10 C ATOM 202 CG GLU A 14 1.707 11.358 -1.352 1.00 1.29 C ATOM 203 CD GLU A 14 3.060 10.815 -0.883 1.00 2.48 C ATOM 204 OE1 GLU A 14 3.890 11.612 -0.378 1.00 3.04 O ATOM 205 OE2 GLU A 14 3.318 9.596 -1.049 1.00 3.95 O ATOM 0 H GLU A 14 1.793 9.232 0.881 1.00 1.07 H new ATOM 0 HA GLU A 14 -0.427 11.042 1.429 1.00 0.95 H new ATOM 0 HB2 GLU A 14 -0.067 12.318 -0.618 1.00 1.10 H new ATOM 0 HB3 GLU A 14 1.322 12.476 0.439 1.00 1.10 H new ATOM 0 HG2 GLU A 14 1.207 10.597 -1.950 1.00 1.29 H new ATOM 0 HG3 GLU A 14 1.875 12.216 -2.003 1.00 1.29 H new ATOM 212 N ALA A 15 -1.840 10.057 -0.499 1.00 0.76 N ATOM 213 CA ALA A 15 -2.793 9.269 -1.292 1.00 0.73 C ATOM 214 C ALA A 15 -3.580 10.123 -2.314 1.00 0.70 C ATOM 215 O ALA A 15 -3.697 11.342 -2.155 1.00 0.80 O ATOM 216 CB ALA A 15 -3.741 8.553 -0.317 1.00 0.74 C ATOM 0 H ALA A 15 -2.205 10.974 -0.239 1.00 0.76 H new ATOM 0 HA ALA A 15 -2.239 8.545 -1.889 1.00 0.73 H new ATOM 0 HB1 ALA A 15 -4.461 7.959 -0.880 1.00 0.74 H new ATOM 0 HB2 ALA A 15 -3.164 7.900 0.337 1.00 0.74 H new ATOM 0 HB3 ALA A 15 -4.271 9.292 0.284 1.00 0.74 H new ATOM 222 N THR A 16 -4.132 9.474 -3.350 1.00 0.66 N ATOM 223 CA THR A 16 -5.054 10.070 -4.344 1.00 0.64 C ATOM 224 C THR A 16 -6.420 9.365 -4.326 1.00 0.61 C ATOM 225 O THR A 16 -6.534 8.238 -4.804 1.00 0.65 O ATOM 226 CB THR A 16 -4.454 10.051 -5.762 1.00 0.75 C ATOM 227 OG1 THR A 16 -3.238 10.771 -5.793 1.00 0.88 O ATOM 228 CG2 THR A 16 -5.360 10.736 -6.787 1.00 0.81 C ATOM 0 H THR A 16 -3.947 8.487 -3.530 1.00 0.66 H new ATOM 0 HA THR A 16 -5.202 11.112 -4.060 1.00 0.64 H new ATOM 0 HB THR A 16 -4.322 8.998 -6.011 1.00 0.75 H new ATOM 0 HG1 THR A 16 -2.868 10.749 -6.700 1.00 0.88 H new ATOM 0 HG21 THR A 16 -4.892 10.696 -7.771 1.00 0.81 H new ATOM 0 HG22 THR A 16 -6.322 10.225 -6.822 1.00 0.81 H new ATOM 0 HG23 THR A 16 -5.512 11.776 -6.500 1.00 0.81 H new ATOM 236 N ILE A 17 -7.449 10.014 -3.774 1.00 0.59 N ATOM 237 CA ILE A 17 -8.794 9.452 -3.525 1.00 0.53 C ATOM 238 C ILE A 17 -9.762 9.837 -4.648 1.00 0.55 C ATOM 239 O ILE A 17 -9.779 11.004 -5.040 1.00 0.63 O ATOM 240 CB ILE A 17 -9.367 9.937 -2.167 1.00 0.55 C ATOM 241 CG1 ILE A 17 -8.299 9.916 -1.048 1.00 0.66 C ATOM 242 CG2 ILE A 17 -10.615 9.101 -1.816 1.00 0.76 C ATOM 243 CD1 ILE A 17 -8.834 10.183 0.361 1.00 0.82 C ATOM 0 H ILE A 17 -7.372 10.986 -3.473 1.00 0.59 H new ATOM 0 HA ILE A 17 -8.689 8.368 -3.495 1.00 0.53 H new ATOM 0 HB ILE A 17 -9.668 10.981 -2.258 1.00 0.55 H new ATOM 0 HG12 ILE A 17 -7.806 8.944 -1.055 1.00 0.66 H new ATOM 0 HG13 ILE A 17 -7.538 10.661 -1.279 1.00 0.66 H new ATOM 0 HG21 ILE A 17 -11.022 9.437 -0.862 1.00 0.76 H new ATOM 0 HG22 ILE A 17 -11.367 9.225 -2.595 1.00 0.76 H new ATOM 0 HG23 ILE A 17 -10.339 8.049 -1.742 1.00 0.76 H new ATOM 0 HD11 ILE A 17 -8.011 10.148 1.075 1.00 0.82 H new ATOM 0 HD12 ILE A 17 -9.300 11.168 0.393 1.00 0.82 H new ATOM 0 HD13 ILE A 17 -9.572 9.424 0.620 1.00 0.82 H new ATOM 255 N VAL A 18 -10.626 8.930 -5.122 1.00 0.60 N ATOM 256 CA VAL A 18 -11.593 9.196 -6.209 1.00 0.72 C ATOM 257 C VAL A 18 -13.035 8.878 -5.779 1.00 0.89 C ATOM 258 O VAL A 18 -13.338 7.769 -5.327 1.00 1.01 O ATOM 259 CB VAL A 18 -11.207 8.424 -7.488 1.00 0.82 C ATOM 260 CG1 VAL A 18 -12.108 8.818 -8.666 1.00 1.97 C ATOM 261 CG2 VAL A 18 -9.732 8.633 -7.872 1.00 1.62 C ATOM 0 H VAL A 18 -10.678 7.978 -4.761 1.00 0.60 H new ATOM 0 HA VAL A 18 -11.553 10.262 -6.432 1.00 0.72 H new ATOM 0 HB VAL A 18 -11.351 7.367 -7.265 1.00 0.82 H new ATOM 0 HG11 VAL A 18 -11.812 8.258 -9.553 1.00 1.97 H new ATOM 0 HG12 VAL A 18 -13.146 8.591 -8.422 1.00 1.97 H new ATOM 0 HG13 VAL A 18 -12.007 9.886 -8.860 1.00 1.97 H new ATOM 0 HG21 VAL A 18 -9.509 8.070 -8.778 1.00 1.62 H new ATOM 0 HG22 VAL A 18 -9.549 9.693 -8.049 1.00 1.62 H new ATOM 0 HG23 VAL A 18 -9.092 8.285 -7.061 1.00 1.62 H new ATOM 271 N THR A 19 -13.936 9.852 -5.938 1.00 1.09 N ATOM 272 CA THR A 19 -15.347 9.791 -5.502 1.00 1.38 C ATOM 273 C THR A 19 -16.279 10.389 -6.565 1.00 1.42 C ATOM 274 O THR A 19 -15.891 11.296 -7.305 1.00 1.42 O ATOM 275 CB THR A 19 -15.540 10.520 -4.154 1.00 1.83 C ATOM 276 OG1 THR A 19 -14.527 10.187 -3.232 1.00 1.92 O ATOM 277 CG2 THR A 19 -16.840 10.134 -3.449 1.00 2.40 C ATOM 0 H THR A 19 -13.702 10.737 -6.388 1.00 1.09 H new ATOM 0 HA THR A 19 -15.606 8.741 -5.368 1.00 1.38 H new ATOM 0 HB THR A 19 -15.532 11.577 -4.421 1.00 1.83 H new ATOM 0 HG1 THR A 19 -14.679 10.667 -2.391 1.00 1.92 H new ATOM 0 HG21 THR A 19 -16.919 10.678 -2.508 1.00 2.40 H new ATOM 0 HG22 THR A 19 -17.688 10.385 -4.086 1.00 2.40 H new ATOM 0 HG23 THR A 19 -16.841 9.062 -3.249 1.00 2.40 H new ATOM 285 N LEU A 20 -17.525 9.907 -6.656 1.00 1.63 N ATOM 286 CA LEU A 20 -18.533 10.462 -7.564 1.00 1.87 C ATOM 287 C LEU A 20 -19.343 11.595 -6.910 1.00 2.11 C ATOM 288 O LEU A 20 -19.659 11.564 -5.715 1.00 2.53 O ATOM 289 CB LEU A 20 -19.448 9.335 -8.094 1.00 2.26 C ATOM 290 CG LEU A 20 -18.761 8.319 -9.020 1.00 2.42 C ATOM 291 CD1 LEU A 20 -19.672 7.113 -9.248 1.00 3.21 C ATOM 292 CD2 LEU A 20 -18.449 8.946 -10.376 1.00 2.80 C ATOM 0 H LEU A 20 -17.862 9.120 -6.101 1.00 1.63 H new ATOM 0 HA LEU A 20 -18.013 10.910 -8.411 1.00 1.87 H new ATOM 0 HB2 LEU A 20 -19.870 8.800 -7.243 1.00 2.26 H new ATOM 0 HB3 LEU A 20 -20.282 9.787 -8.631 1.00 2.26 H new ATOM 0 HG LEU A 20 -17.834 8.006 -8.539 1.00 2.42 H new ATOM 0 HD11 LEU A 20 -19.174 6.400 -9.906 1.00 3.21 H new ATOM 0 HD12 LEU A 20 -19.889 6.635 -8.293 1.00 3.21 H new ATOM 0 HD13 LEU A 20 -20.603 7.442 -9.709 1.00 3.21 H new ATOM 0 HD21 LEU A 20 -17.963 8.208 -11.015 1.00 2.80 H new ATOM 0 HD22 LEU A 20 -19.375 9.278 -10.845 1.00 2.80 H new ATOM 0 HD23 LEU A 20 -17.786 9.800 -10.238 1.00 2.80 H new ATOM 304 N ASP A 21 -19.732 12.573 -7.730 1.00 2.19 N ATOM 305 CA ASP A 21 -20.696 13.634 -7.369 1.00 2.51 C ATOM 306 C ASP A 21 -21.937 13.650 -8.292 1.00 2.66 C ATOM 307 O ASP A 21 -22.921 14.328 -7.989 1.00 3.07 O ATOM 308 CB ASP A 21 -19.994 15.007 -7.295 1.00 2.65 C ATOM 309 CG ASP A 21 -19.929 15.586 -5.877 1.00 3.02 C ATOM 310 OD1 ASP A 21 -20.999 15.720 -5.233 1.00 3.88 O ATOM 311 OD2 ASP A 21 -18.831 16.018 -5.447 1.00 3.42 O ATOM 0 H ASP A 21 -19.383 12.658 -8.685 1.00 2.19 H new ATOM 0 HA ASP A 21 -21.078 13.406 -6.374 1.00 2.51 H new ATOM 0 HB2 ASP A 21 -18.981 14.910 -7.686 1.00 2.65 H new ATOM 0 HB3 ASP A 21 -20.519 15.710 -7.942 1.00 2.65 H new ATOM 316 N SER A 22 -21.901 12.855 -9.367 1.00 2.49 N ATOM 317 CA SER A 22 -23.023 12.511 -10.255 1.00 2.66 C ATOM 318 C SER A 22 -22.757 11.106 -10.837 1.00 2.71 C ATOM 319 O SER A 22 -21.641 10.833 -11.289 1.00 3.31 O ATOM 320 CB SER A 22 -23.208 13.520 -11.397 1.00 2.80 C ATOM 321 OG SER A 22 -23.366 14.873 -11.013 1.00 2.94 O ATOM 0 H SER A 22 -21.034 12.405 -9.661 1.00 2.49 H new ATOM 0 HA SER A 22 -23.943 12.532 -9.670 1.00 2.66 H new ATOM 0 HB2 SER A 22 -22.345 13.450 -12.060 1.00 2.80 H new ATOM 0 HB3 SER A 22 -24.081 13.224 -11.978 1.00 2.80 H new ATOM 0 HG SER A 22 -23.407 14.933 -10.036 1.00 2.94 H new ATOM 327 N ASP A 23 -23.767 10.230 -10.861 1.00 2.94 N ATOM 328 CA ASP A 23 -23.685 8.766 -11.087 1.00 3.08 C ATOM 329 C ASP A 23 -22.912 8.276 -12.331 1.00 3.08 C ATOM 330 O ASP A 23 -23.492 7.977 -13.378 1.00 3.65 O ATOM 331 CB ASP A 23 -25.114 8.193 -11.037 1.00 3.74 C ATOM 332 CG ASP A 23 -25.192 6.663 -11.147 1.00 4.16 C ATOM 333 OD1 ASP A 23 -24.254 5.952 -10.705 1.00 4.63 O ATOM 334 OD2 ASP A 23 -26.217 6.166 -11.678 1.00 4.64 O ATOM 0 H ASP A 23 -24.729 10.535 -10.715 1.00 2.94 H new ATOM 0 HA ASP A 23 -23.059 8.380 -10.282 1.00 3.08 H new ATOM 0 HB2 ASP A 23 -25.583 8.502 -10.103 1.00 3.74 H new ATOM 0 HB3 ASP A 23 -25.697 8.633 -11.847 1.00 3.74 H new ATOM 339 N ASN A 24 -21.587 8.156 -12.169 1.00 2.78 N ATOM 340 CA ASN A 24 -20.586 7.785 -13.190 1.00 2.94 C ATOM 341 C ASN A 24 -20.497 8.786 -14.357 1.00 3.10 C ATOM 342 O ASN A 24 -20.035 8.468 -15.456 1.00 3.69 O ATOM 343 CB ASN A 24 -20.768 6.325 -13.636 1.00 3.33 C ATOM 344 CG ASN A 24 -20.565 5.344 -12.531 1.00 3.40 C ATOM 345 OD1 ASN A 24 -19.497 4.764 -12.366 1.00 3.72 O ATOM 346 ND2 ASN A 24 -21.575 5.110 -11.754 1.00 4.12 N ATOM 0 H ASN A 24 -21.153 8.326 -11.262 1.00 2.78 H new ATOM 0 HA ASN A 24 -19.606 7.849 -12.717 1.00 2.94 H new ATOM 0 HB2 ASN A 24 -21.770 6.199 -14.045 1.00 3.33 H new ATOM 0 HB3 ASN A 24 -20.065 6.107 -14.440 1.00 3.33 H new ATOM 0 HD21 ASN A 24 -21.488 4.436 -10.993 1.00 4.12 H new ATOM 0 HD22 ASN A 24 -22.457 5.600 -11.903 1.00 4.12 H new ATOM 353 N ILE A 25 -20.917 10.017 -14.076 1.00 2.95 N ATOM 354 CA ILE A 25 -21.064 11.117 -15.038 1.00 3.27 C ATOM 355 C ILE A 25 -20.363 12.403 -14.568 1.00 3.22 C ATOM 356 O ILE A 25 -20.041 13.252 -15.400 1.00 3.55 O ATOM 357 CB ILE A 25 -22.548 11.283 -15.441 1.00 3.49 C ATOM 358 CG1 ILE A 25 -23.446 11.602 -14.239 1.00 3.39 C ATOM 359 CG2 ILE A 25 -23.015 10.024 -16.197 1.00 3.66 C ATOM 360 CD1 ILE A 25 -24.894 11.960 -14.579 1.00 3.81 C ATOM 0 H ILE A 25 -21.177 10.292 -13.129 1.00 2.95 H new ATOM 0 HA ILE A 25 -20.535 10.862 -15.956 1.00 3.27 H new ATOM 0 HB ILE A 25 -22.633 12.143 -16.105 1.00 3.49 H new ATOM 0 HG12 ILE A 25 -23.450 10.741 -13.571 1.00 3.39 H new ATOM 0 HG13 ILE A 25 -23.004 12.432 -13.687 1.00 3.39 H new ATOM 0 HG21 ILE A 25 -24.061 10.138 -16.482 1.00 3.66 H new ATOM 0 HG22 ILE A 25 -22.407 9.890 -17.092 1.00 3.66 H new ATOM 0 HG23 ILE A 25 -22.908 9.152 -15.552 1.00 3.66 H new ATOM 0 HD11 ILE A 25 -25.443 12.168 -13.660 1.00 3.81 H new ATOM 0 HD12 ILE A 25 -24.910 12.842 -15.219 1.00 3.81 H new ATOM 0 HD13 ILE A 25 -25.362 11.125 -15.101 1.00 3.81 H new ATOM 372 N LEU A 26 -20.085 12.527 -13.262 1.00 2.87 N ATOM 373 CA LEU A 26 -19.173 13.521 -12.693 1.00 2.65 C ATOM 374 C LEU A 26 -18.270 12.874 -11.634 1.00 2.54 C ATOM 375 O LEU A 26 -18.728 12.433 -10.575 1.00 3.13 O ATOM 376 CB LEU A 26 -19.909 14.750 -12.153 1.00 2.76 C ATOM 377 CG LEU A 26 -18.897 15.863 -11.808 1.00 2.56 C ATOM 378 CD1 LEU A 26 -19.452 17.208 -12.234 1.00 3.30 C ATOM 379 CD2 LEU A 26 -18.590 15.949 -10.316 1.00 2.46 C ATOM 0 H LEU A 26 -20.502 11.920 -12.556 1.00 2.87 H new ATOM 0 HA LEU A 26 -18.538 13.888 -13.499 1.00 2.65 H new ATOM 0 HB2 LEU A 26 -20.621 15.112 -12.894 1.00 2.76 H new ATOM 0 HB3 LEU A 26 -20.482 14.480 -11.266 1.00 2.76 H new ATOM 0 HG LEU A 26 -17.978 15.614 -12.338 1.00 2.56 H new ATOM 0 HD11 LEU A 26 -18.735 17.992 -11.989 1.00 3.30 H new ATOM 0 HD12 LEU A 26 -19.631 17.204 -13.309 1.00 3.30 H new ATOM 0 HD13 LEU A 26 -20.389 17.397 -11.711 1.00 3.30 H new ATOM 0 HD21 LEU A 26 -17.873 16.750 -10.138 1.00 2.46 H new ATOM 0 HD22 LEU A 26 -19.509 16.156 -9.767 1.00 2.46 H new ATOM 0 HD23 LEU A 26 -18.169 15.003 -9.976 1.00 2.46 H new ATOM 391 N LEU A 27 -16.974 12.868 -11.944 1.00 2.20 N ATOM 392 CA LEU A 27 -15.899 12.409 -11.067 1.00 2.10 C ATOM 393 C LEU A 27 -15.205 13.583 -10.361 1.00 2.15 C ATOM 394 O LEU A 27 -15.117 14.693 -10.896 1.00 2.76 O ATOM 395 CB LEU A 27 -14.901 11.527 -11.841 1.00 2.11 C ATOM 396 CG LEU A 27 -15.367 10.069 -12.035 1.00 2.50 C ATOM 397 CD1 LEU A 27 -16.491 9.899 -13.061 1.00 2.99 C ATOM 398 CD2 LEU A 27 -14.193 9.220 -12.497 1.00 2.61 C ATOM 0 H LEU A 27 -16.632 13.195 -12.847 1.00 2.20 H new ATOM 0 HA LEU A 27 -16.342 11.793 -10.285 1.00 2.10 H new ATOM 0 HB2 LEU A 27 -14.721 11.973 -12.819 1.00 2.11 H new ATOM 0 HB3 LEU A 27 -13.948 11.525 -11.312 1.00 2.11 H new ATOM 0 HG LEU A 27 -15.755 9.754 -11.066 1.00 2.50 H new ATOM 0 HD11 LEU A 27 -16.759 8.845 -13.136 1.00 2.99 H new ATOM 0 HD12 LEU A 27 -17.362 10.473 -12.745 1.00 2.99 H new ATOM 0 HD13 LEU A 27 -16.153 10.258 -14.033 1.00 2.99 H new ATOM 0 HD21 LEU A 27 -14.521 8.190 -12.634 1.00 2.61 H new ATOM 0 HD22 LEU A 27 -13.812 9.609 -13.442 1.00 2.61 H new ATOM 0 HD23 LEU A 27 -13.403 9.252 -11.747 1.00 2.61 H new ATOM 410 N SER A 28 -14.723 13.321 -9.148 1.00 1.67 N ATOM 411 CA SER A 28 -13.994 14.257 -8.291 1.00 1.72 C ATOM 412 C SER A 28 -12.855 13.525 -7.570 1.00 1.42 C ATOM 413 O SER A 28 -13.057 12.434 -7.034 1.00 1.33 O ATOM 414 CB SER A 28 -15.016 14.895 -7.341 1.00 1.96 C ATOM 415 OG SER A 28 -14.424 15.551 -6.239 1.00 2.45 O ATOM 0 H SER A 28 -14.835 12.405 -8.713 1.00 1.67 H new ATOM 0 HA SER A 28 -13.516 15.052 -8.862 1.00 1.72 H new ATOM 0 HB2 SER A 28 -15.621 15.610 -7.898 1.00 1.96 H new ATOM 0 HB3 SER A 28 -15.692 14.122 -6.974 1.00 1.96 H new ATOM 0 HG SER A 28 -15.125 15.937 -5.673 1.00 2.45 H new ATOM 421 N GLU A 29 -11.644 14.096 -7.549 1.00 1.44 N ATOM 422 CA GLU A 29 -10.452 13.461 -6.967 1.00 1.19 C ATOM 423 C GLU A 29 -9.749 14.372 -5.950 1.00 1.03 C ATOM 424 O GLU A 29 -9.570 15.567 -6.202 1.00 1.07 O ATOM 425 CB GLU A 29 -9.423 13.032 -8.030 1.00 1.27 C ATOM 426 CG GLU A 29 -9.999 12.280 -9.235 1.00 1.48 C ATOM 427 CD GLU A 29 -10.538 13.217 -10.326 1.00 2.78 C ATOM 428 OE1 GLU A 29 -9.894 14.244 -10.662 1.00 3.43 O ATOM 429 OE2 GLU A 29 -11.587 12.917 -10.941 1.00 3.89 O ATOM 0 H GLU A 29 -11.461 15.021 -7.939 1.00 1.44 H new ATOM 0 HA GLU A 29 -10.828 12.571 -6.462 1.00 1.19 H new ATOM 0 HB2 GLU A 29 -8.906 13.921 -8.391 1.00 1.27 H new ATOM 0 HB3 GLU A 29 -8.674 12.400 -7.553 1.00 1.27 H new ATOM 0 HG2 GLU A 29 -9.225 11.642 -9.662 1.00 1.48 H new ATOM 0 HG3 GLU A 29 -10.802 11.625 -8.897 1.00 1.48 H new ATOM 436 N GLU A 30 -9.285 13.802 -4.837 1.00 0.87 N ATOM 437 CA GLU A 30 -8.523 14.490 -3.785 1.00 0.74 C ATOM 438 C GLU A 30 -7.089 13.966 -3.674 1.00 0.58 C ATOM 439 O GLU A 30 -6.846 12.772 -3.828 1.00 0.64 O ATOM 440 CB GLU A 30 -9.198 14.369 -2.406 1.00 0.87 C ATOM 441 CG GLU A 30 -10.683 14.746 -2.360 1.00 1.21 C ATOM 442 CD GLU A 30 -11.005 16.118 -2.967 1.00 1.50 C ATOM 443 OE1 GLU A 30 -10.180 17.063 -2.863 1.00 2.67 O ATOM 444 OE2 GLU A 30 -12.098 16.254 -3.573 1.00 2.35 O ATOM 0 H GLU A 30 -9.433 12.814 -4.633 1.00 0.87 H new ATOM 0 HA GLU A 30 -8.500 15.538 -4.082 1.00 0.74 H new ATOM 0 HB2 GLU A 30 -9.092 13.341 -2.058 1.00 0.87 H new ATOM 0 HB3 GLU A 30 -8.659 15.002 -1.701 1.00 0.87 H new ATOM 0 HG2 GLU A 30 -11.256 13.984 -2.889 1.00 1.21 H new ATOM 0 HG3 GLU A 30 -11.017 14.733 -1.323 1.00 1.21 H new ATOM 451 N GLN A 31 -6.148 14.848 -3.344 1.00 0.69 N ATOM 452 CA GLN A 31 -4.754 14.516 -3.044 1.00 0.71 C ATOM 453 C GLN A 31 -4.469 14.907 -1.591 1.00 0.73 C ATOM 454 O GLN A 31 -4.464 16.097 -1.257 1.00 0.91 O ATOM 455 CB GLN A 31 -3.844 15.184 -4.087 1.00 1.02 C ATOM 456 CG GLN A 31 -4.112 14.548 -5.456 1.00 1.40 C ATOM 457 CD GLN A 31 -2.992 14.834 -6.396 1.00 1.88 C ATOM 458 OE1 GLN A 31 -2.986 15.774 -7.181 1.00 2.45 O ATOM 459 NE2 GLN A 31 -1.948 14.075 -6.211 1.00 1.90 N ATOM 0 H GLN A 31 -6.340 15.847 -3.275 1.00 0.69 H new ATOM 0 HA GLN A 31 -4.551 13.448 -3.120 1.00 0.71 H new ATOM 0 HB2 GLN A 31 -4.037 16.256 -4.125 1.00 1.02 H new ATOM 0 HB3 GLN A 31 -2.797 15.058 -3.811 1.00 1.02 H new ATOM 0 HG2 GLN A 31 -4.234 13.471 -5.345 1.00 1.40 H new ATOM 0 HG3 GLN A 31 -5.045 14.934 -5.866 1.00 1.40 H new ATOM 0 HE21 GLN A 31 -1.991 13.301 -5.548 1.00 1.90 H new ATOM 0 HE22 GLN A 31 -1.088 14.255 -6.729 1.00 1.90 H new ATOM 468 N VAL A 32 -4.274 13.903 -0.727 1.00 0.69 N ATOM 469 CA VAL A 32 -4.273 14.055 0.741 1.00 0.73 C ATOM 470 C VAL A 32 -3.040 13.476 1.439 1.00 0.78 C ATOM 471 O VAL A 32 -2.328 12.637 0.885 1.00 0.77 O ATOM 472 CB VAL A 32 -5.550 13.438 1.364 1.00 0.72 C ATOM 473 CG1 VAL A 32 -6.837 13.930 0.692 1.00 0.72 C ATOM 474 CG2 VAL A 32 -5.573 11.904 1.329 1.00 0.70 C ATOM 0 H VAL A 32 -4.109 12.943 -1.030 1.00 0.69 H new ATOM 0 HA VAL A 32 -4.249 15.132 0.908 1.00 0.73 H new ATOM 0 HB VAL A 32 -5.514 13.774 2.400 1.00 0.72 H new ATOM 0 HG11 VAL A 32 -7.698 13.464 1.170 1.00 0.72 H new ATOM 0 HG12 VAL A 32 -6.908 15.013 0.792 1.00 0.72 H new ATOM 0 HG13 VAL A 32 -6.821 13.663 -0.365 1.00 0.72 H new ATOM 0 HG21 VAL A 32 -6.496 11.544 1.782 1.00 0.70 H new ATOM 0 HG22 VAL A 32 -5.519 11.563 0.295 1.00 0.70 H new ATOM 0 HG23 VAL A 32 -4.720 11.515 1.885 1.00 0.70 H new ATOM 484 N ASP A 33 -2.854 13.871 2.701 1.00 0.88 N ATOM 485 CA ASP A 33 -1.876 13.257 3.605 1.00 0.93 C ATOM 486 C ASP A 33 -2.401 11.909 4.126 1.00 0.89 C ATOM 487 O ASP A 33 -3.604 11.742 4.342 1.00 0.86 O ATOM 488 CB ASP A 33 -1.571 14.214 4.763 1.00 1.03 C ATOM 489 CG ASP A 33 -0.294 13.839 5.508 1.00 1.90 C ATOM 490 OD1 ASP A 33 -0.337 12.900 6.332 1.00 3.10 O ATOM 491 OD2 ASP A 33 0.758 14.478 5.243 1.00 2.57 O ATOM 0 H ASP A 33 -3.382 14.632 3.128 1.00 0.88 H new ATOM 0 HA ASP A 33 -0.952 13.067 3.059 1.00 0.93 H new ATOM 0 HB2 ASP A 33 -1.478 15.229 4.377 1.00 1.03 H new ATOM 0 HB3 ASP A 33 -2.408 14.214 5.461 1.00 1.03 H new ATOM 496 N VAL A 34 -1.510 10.939 4.353 1.00 0.91 N ATOM 497 CA VAL A 34 -1.883 9.585 4.802 1.00 0.87 C ATOM 498 C VAL A 34 -2.648 9.577 6.131 1.00 0.92 C ATOM 499 O VAL A 34 -3.439 8.667 6.369 1.00 0.90 O ATOM 500 CB VAL A 34 -0.646 8.666 4.851 1.00 0.89 C ATOM 501 CG1 VAL A 34 0.344 9.070 5.954 1.00 1.05 C ATOM 502 CG2 VAL A 34 -1.026 7.189 5.006 1.00 0.88 C ATOM 0 H VAL A 34 -0.505 11.067 4.231 1.00 0.91 H new ATOM 0 HA VAL A 34 -2.577 9.189 4.061 1.00 0.87 H new ATOM 0 HB VAL A 34 -0.150 8.794 3.889 1.00 0.89 H new ATOM 0 HG11 VAL A 34 1.196 8.391 5.945 1.00 1.05 H new ATOM 0 HG12 VAL A 34 0.690 10.088 5.777 1.00 1.05 H new ATOM 0 HG13 VAL A 34 -0.151 9.018 6.924 1.00 1.05 H new ATOM 0 HG21 VAL A 34 -0.121 6.582 5.036 1.00 0.88 H new ATOM 0 HG22 VAL A 34 -1.585 7.052 5.932 1.00 0.88 H new ATOM 0 HG23 VAL A 34 -1.642 6.881 4.161 1.00 0.88 H new ATOM 512 N GLU A 35 -2.509 10.602 6.977 1.00 1.05 N ATOM 513 CA GLU A 35 -3.253 10.670 8.249 1.00 1.17 C ATOM 514 C GLU A 35 -4.761 10.975 8.053 1.00 1.11 C ATOM 515 O GLU A 35 -5.577 10.721 8.946 1.00 1.24 O ATOM 516 CB GLU A 35 -2.547 11.690 9.157 1.00 1.39 C ATOM 517 CG GLU A 35 -2.830 11.472 10.648 1.00 1.66 C ATOM 518 CD GLU A 35 -2.217 10.178 11.206 1.00 2.70 C ATOM 519 OE1 GLU A 35 -0.974 10.026 11.196 1.00 3.70 O ATOM 520 OE2 GLU A 35 -2.978 9.321 11.718 1.00 3.76 O ATOM 0 H GLU A 35 -1.891 11.396 6.809 1.00 1.05 H new ATOM 0 HA GLU A 35 -3.243 9.691 8.728 1.00 1.17 H new ATOM 0 HB2 GLU A 35 -1.472 11.635 8.986 1.00 1.39 H new ATOM 0 HB3 GLU A 35 -2.863 12.695 8.877 1.00 1.39 H new ATOM 0 HG2 GLU A 35 -2.442 12.321 11.211 1.00 1.66 H new ATOM 0 HG3 GLU A 35 -3.908 11.451 10.806 1.00 1.66 H new ATOM 527 N LEU A 36 -5.139 11.479 6.868 1.00 0.98 N ATOM 528 CA LEU A 36 -6.463 12.034 6.536 1.00 0.97 C ATOM 529 C LEU A 36 -7.339 11.118 5.666 1.00 0.87 C ATOM 530 O LEU A 36 -8.535 11.382 5.511 1.00 0.92 O ATOM 531 CB LEU A 36 -6.269 13.381 5.810 1.00 1.00 C ATOM 532 CG LEU A 36 -5.314 14.383 6.482 1.00 1.13 C ATOM 533 CD1 LEU A 36 -5.177 15.621 5.604 1.00 1.19 C ATOM 534 CD2 LEU A 36 -5.794 14.828 7.858 1.00 1.28 C ATOM 0 H LEU A 36 -4.498 11.513 6.075 1.00 0.98 H new ATOM 0 HA LEU A 36 -6.993 12.150 7.482 1.00 0.97 H new ATOM 0 HB2 LEU A 36 -5.901 13.178 4.804 1.00 1.00 H new ATOM 0 HB3 LEU A 36 -7.244 13.856 5.703 1.00 1.00 H new ATOM 0 HG LEU A 36 -4.359 13.871 6.606 1.00 1.13 H new ATOM 0 HD11 LEU A 36 -4.501 16.331 6.080 1.00 1.19 H new ATOM 0 HD12 LEU A 36 -4.777 15.335 4.631 1.00 1.19 H new ATOM 0 HD13 LEU A 36 -6.155 16.084 5.472 1.00 1.19 H new ATOM 0 HD21 LEU A 36 -5.080 15.534 8.282 1.00 1.28 H new ATOM 0 HD22 LEU A 36 -6.768 15.309 7.766 1.00 1.28 H new ATOM 0 HD23 LEU A 36 -5.878 13.960 8.512 1.00 1.28 H new ATOM 546 N VAL A 37 -6.763 10.058 5.092 1.00 0.79 N ATOM 547 CA VAL A 37 -7.502 9.003 4.375 1.00 0.74 C ATOM 548 C VAL A 37 -8.056 7.995 5.387 1.00 0.88 C ATOM 549 O VAL A 37 -7.406 7.716 6.403 1.00 1.50 O ATOM 550 CB VAL A 37 -6.639 8.359 3.267 1.00 0.70 C ATOM 551 CG1 VAL A 37 -5.324 7.757 3.770 1.00 0.81 C ATOM 552 CG2 VAL A 37 -7.381 7.274 2.485 1.00 0.84 C ATOM 0 H VAL A 37 -5.755 9.902 5.110 1.00 0.79 H new ATOM 0 HA VAL A 37 -8.352 9.440 3.852 1.00 0.74 H new ATOM 0 HB VAL A 37 -6.412 9.200 2.612 1.00 0.70 H new ATOM 0 HG11 VAL A 37 -4.777 7.325 2.932 1.00 0.81 H new ATOM 0 HG12 VAL A 37 -4.720 8.537 4.234 1.00 0.81 H new ATOM 0 HG13 VAL A 37 -5.537 6.979 4.503 1.00 0.81 H new ATOM 0 HG21 VAL A 37 -6.722 6.861 1.722 1.00 0.84 H new ATOM 0 HG22 VAL A 37 -7.690 6.481 3.166 1.00 0.84 H new ATOM 0 HG23 VAL A 37 -8.261 7.706 2.009 1.00 0.84 H new ATOM 562 N GLN A 38 -9.253 7.467 5.128 1.00 0.74 N ATOM 563 CA GLN A 38 -9.953 6.520 6.005 1.00 0.75 C ATOM 564 C GLN A 38 -10.216 5.173 5.317 1.00 0.68 C ATOM 565 O GLN A 38 -10.196 5.062 4.088 1.00 0.67 O ATOM 566 CB GLN A 38 -11.264 7.155 6.519 1.00 0.88 C ATOM 567 CG GLN A 38 -12.302 7.449 5.420 1.00 2.23 C ATOM 568 CD GLN A 38 -13.703 7.580 5.960 1.00 2.45 C ATOM 569 OE1 GLN A 38 -14.264 8.665 6.108 1.00 3.24 O ATOM 570 NE2 GLN A 38 -14.340 6.480 6.237 1.00 2.82 N ATOM 0 H GLN A 38 -9.778 7.690 4.282 1.00 0.74 H new ATOM 0 HA GLN A 38 -9.305 6.307 6.855 1.00 0.75 H new ATOM 0 HB2 GLN A 38 -11.712 6.488 7.256 1.00 0.88 H new ATOM 0 HB3 GLN A 38 -11.025 8.085 7.034 1.00 0.88 H new ATOM 0 HG2 GLN A 38 -12.028 8.370 4.905 1.00 2.23 H new ATOM 0 HG3 GLN A 38 -12.276 6.650 4.679 1.00 2.23 H new ATOM 0 HE21 GLN A 38 -13.878 5.579 6.115 1.00 2.82 H new ATOM 0 HE22 GLN A 38 -15.301 6.519 6.576 1.00 2.82 H new ATOM 579 N ARG A 39 -10.527 4.138 6.106 1.00 0.69 N ATOM 580 CA ARG A 39 -11.053 2.889 5.541 1.00 0.77 C ATOM 581 C ARG A 39 -12.470 3.147 5.014 1.00 1.10 C ATOM 582 O ARG A 39 -13.260 3.842 5.656 1.00 2.62 O ATOM 583 CB ARG A 39 -10.942 1.720 6.526 1.00 0.85 C ATOM 584 CG ARG A 39 -11.920 1.750 7.701 1.00 0.88 C ATOM 585 CD ARG A 39 -11.487 0.691 8.727 1.00 1.13 C ATOM 586 NE ARG A 39 -12.380 0.637 9.895 1.00 1.28 N ATOM 587 CZ ARG A 39 -13.450 -0.117 10.065 1.00 1.90 C ATOM 588 NH1 ARG A 39 -13.923 -0.908 9.146 1.00 3.06 N ATOM 589 NH2 ARG A 39 -14.054 -0.087 11.215 1.00 1.98 N ATOM 0 H ARG A 39 -10.426 4.138 7.121 1.00 0.69 H new ATOM 0 HA ARG A 39 -10.443 2.572 4.695 1.00 0.77 H new ATOM 0 HB2 ARG A 39 -11.091 0.790 5.977 1.00 0.85 H new ATOM 0 HB3 ARG A 39 -9.927 1.697 6.922 1.00 0.85 H new ATOM 0 HG2 ARG A 39 -11.930 2.739 8.159 1.00 0.88 H new ATOM 0 HG3 ARG A 39 -12.934 1.549 7.355 1.00 0.88 H new ATOM 0 HD2 ARG A 39 -11.464 -0.287 8.246 1.00 1.13 H new ATOM 0 HD3 ARG A 39 -10.472 0.907 9.060 1.00 1.13 H new ATOM 0 HE ARG A 39 -12.143 1.259 10.668 1.00 1.28 H new ATOM 0 HH11 ARG A 39 -13.462 -0.968 8.238 1.00 3.06 H new ATOM 0 HH12 ARG A 39 -14.754 -1.468 9.334 1.00 3.06 H new ATOM 0 HH21 ARG A 39 -13.699 0.510 11.962 1.00 1.98 H new ATOM 0 HH22 ARG A 39 -14.883 -0.661 11.371 1.00 1.98 H new ATOM 603 N GLY A 40 -12.766 2.641 3.821 1.00 0.90 N ATOM 604 CA GLY A 40 -13.980 2.959 3.049 1.00 0.81 C ATOM 605 C GLY A 40 -13.723 3.805 1.786 1.00 0.74 C ATOM 606 O GLY A 40 -14.618 3.919 0.943 1.00 0.90 O ATOM 0 H GLY A 40 -12.155 1.978 3.344 1.00 0.90 H new ATOM 0 HA2 GLY A 40 -14.465 2.028 2.756 1.00 0.81 H new ATOM 0 HA3 GLY A 40 -14.678 3.493 3.694 1.00 0.81 H new ATOM 610 N ASP A 41 -12.514 4.354 1.616 1.00 0.71 N ATOM 611 CA ASP A 41 -12.110 5.187 0.470 1.00 0.74 C ATOM 612 C ASP A 41 -11.550 4.374 -0.728 1.00 0.57 C ATOM 613 O ASP A 41 -10.957 3.306 -0.558 1.00 0.56 O ATOM 614 CB ASP A 41 -11.080 6.231 0.950 1.00 0.96 C ATOM 615 CG ASP A 41 -11.641 7.315 1.884 1.00 1.39 C ATOM 616 OD1 ASP A 41 -12.866 7.589 1.854 1.00 1.66 O ATOM 617 OD2 ASP A 41 -10.848 7.991 2.581 1.00 2.80 O ATOM 0 H ASP A 41 -11.762 4.228 2.294 1.00 0.71 H new ATOM 0 HA ASP A 41 -13.007 5.678 0.093 1.00 0.74 H new ATOM 0 HB2 ASP A 41 -10.272 5.712 1.465 1.00 0.96 H new ATOM 0 HB3 ASP A 41 -10.642 6.716 0.077 1.00 0.96 H new ATOM 622 N ILE A 42 -11.696 4.906 -1.951 1.00 0.54 N ATOM 623 CA ILE A 42 -11.154 4.340 -3.205 1.00 0.54 C ATOM 624 C ILE A 42 -9.939 5.152 -3.675 1.00 0.42 C ATOM 625 O ILE A 42 -10.069 6.341 -3.971 1.00 0.42 O ATOM 626 CB ILE A 42 -12.237 4.292 -4.305 1.00 0.78 C ATOM 627 CG1 ILE A 42 -13.475 3.466 -3.901 1.00 1.05 C ATOM 628 CG2 ILE A 42 -11.659 3.761 -5.631 1.00 0.89 C ATOM 629 CD1 ILE A 42 -13.221 1.990 -3.575 1.00 1.20 C ATOM 0 H ILE A 42 -12.212 5.772 -2.104 1.00 0.54 H new ATOM 0 HA ILE A 42 -10.833 3.317 -3.007 1.00 0.54 H new ATOM 0 HB ILE A 42 -12.569 5.321 -4.443 1.00 0.78 H new ATOM 0 HG12 ILE A 42 -13.933 3.936 -3.031 1.00 1.05 H new ATOM 0 HG13 ILE A 42 -14.202 3.519 -4.711 1.00 1.05 H new ATOM 0 HG21 ILE A 42 -12.444 3.738 -6.387 1.00 0.89 H new ATOM 0 HG22 ILE A 42 -10.853 4.415 -5.964 1.00 0.89 H new ATOM 0 HG23 ILE A 42 -11.270 2.754 -5.481 1.00 0.89 H new ATOM 0 HD11 ILE A 42 -14.162 1.510 -3.305 1.00 1.20 H new ATOM 0 HD12 ILE A 42 -12.797 1.492 -4.447 1.00 1.20 H new ATOM 0 HD13 ILE A 42 -12.523 1.916 -2.741 1.00 1.20 H new ATOM 641 N ILE A 43 -8.763 4.522 -3.771 1.00 0.39 N ATOM 642 CA ILE A 43 -7.465 5.181 -3.988 1.00 0.39 C ATOM 643 C ILE A 43 -6.806 4.731 -5.299 1.00 0.42 C ATOM 644 O ILE A 43 -6.624 3.534 -5.524 1.00 0.56 O ATOM 645 CB ILE A 43 -6.501 4.855 -2.815 1.00 0.46 C ATOM 646 CG1 ILE A 43 -7.143 4.866 -1.409 1.00 0.56 C ATOM 647 CG2 ILE A 43 -5.266 5.776 -2.846 1.00 0.58 C ATOM 648 CD1 ILE A 43 -7.717 6.211 -0.967 1.00 0.67 C ATOM 0 H ILE A 43 -8.683 3.508 -3.698 1.00 0.39 H new ATOM 0 HA ILE A 43 -7.655 6.253 -4.043 1.00 0.39 H new ATOM 0 HB ILE A 43 -6.203 3.820 -2.985 1.00 0.46 H new ATOM 0 HG12 ILE A 43 -7.940 4.123 -1.385 1.00 0.56 H new ATOM 0 HG13 ILE A 43 -6.394 4.552 -0.682 1.00 0.56 H new ATOM 0 HG21 ILE A 43 -4.606 5.528 -2.015 1.00 0.58 H new ATOM 0 HG22 ILE A 43 -4.732 5.638 -3.786 1.00 0.58 H new ATOM 0 HG23 ILE A 43 -5.585 6.815 -2.759 1.00 0.58 H new ATOM 0 HD11 ILE A 43 -8.144 6.114 0.031 1.00 0.67 H new ATOM 0 HD12 ILE A 43 -6.923 6.958 -0.951 1.00 0.67 H new ATOM 0 HD13 ILE A 43 -8.494 6.522 -1.665 1.00 0.67 H new ATOM 660 N LYS A 44 -6.384 5.668 -6.153 1.00 0.46 N ATOM 661 CA LYS A 44 -5.642 5.360 -7.392 1.00 0.52 C ATOM 662 C LYS A 44 -4.121 5.357 -7.179 1.00 0.56 C ATOM 663 O LYS A 44 -3.585 6.206 -6.462 1.00 0.75 O ATOM 664 CB LYS A 44 -6.101 6.294 -8.519 1.00 0.70 C ATOM 665 CG LYS A 44 -5.775 5.678 -9.890 1.00 1.59 C ATOM 666 CD LYS A 44 -6.378 6.485 -11.038 1.00 1.73 C ATOM 667 CE LYS A 44 -7.886 6.257 -11.224 1.00 1.54 C ATOM 668 NZ LYS A 44 -8.441 7.247 -12.175 1.00 1.87 N ATOM 0 H LYS A 44 -6.545 6.665 -6.010 1.00 0.46 H new ATOM 0 HA LYS A 44 -5.878 4.340 -7.696 1.00 0.52 H new ATOM 0 HB2 LYS A 44 -7.173 6.472 -8.439 1.00 0.70 H new ATOM 0 HB3 LYS A 44 -5.609 7.262 -8.421 1.00 0.70 H new ATOM 0 HG2 LYS A 44 -4.694 5.623 -10.015 1.00 1.59 H new ATOM 0 HG3 LYS A 44 -6.153 4.656 -9.927 1.00 1.59 H new ATOM 0 HD2 LYS A 44 -6.199 7.545 -10.859 1.00 1.73 H new ATOM 0 HD3 LYS A 44 -5.863 6.226 -11.963 1.00 1.73 H new ATOM 0 HE2 LYS A 44 -8.065 5.247 -11.593 1.00 1.54 H new ATOM 0 HE3 LYS A 44 -8.395 6.340 -10.264 1.00 1.54 H new ATOM 0 HZ1 LYS A 44 -9.461 7.082 -12.292 1.00 1.87 H new ATOM 0 HZ2 LYS A 44 -8.286 8.207 -11.807 1.00 1.87 H new ATOM 0 HZ3 LYS A 44 -7.967 7.148 -13.095 1.00 1.87 H new ATOM 682 N VAL A 45 -3.424 4.404 -7.805 1.00 0.48 N ATOM 683 CA VAL A 45 -1.966 4.210 -7.708 1.00 0.51 C ATOM 684 C VAL A 45 -1.322 4.161 -9.105 1.00 0.62 C ATOM 685 O VAL A 45 -1.828 3.495 -10.011 1.00 0.72 O ATOM 686 CB VAL A 45 -1.670 2.977 -6.826 1.00 0.52 C ATOM 687 CG1 VAL A 45 -2.047 1.657 -7.490 1.00 0.71 C ATOM 688 CG2 VAL A 45 -0.209 2.871 -6.387 1.00 0.60 C ATOM 0 H VAL A 45 -3.871 3.720 -8.416 1.00 0.48 H new ATOM 0 HA VAL A 45 -1.502 5.065 -7.216 1.00 0.51 H new ATOM 0 HB VAL A 45 -2.298 3.143 -5.951 1.00 0.52 H new ATOM 0 HG11 VAL A 45 -1.813 0.832 -6.817 1.00 0.71 H new ATOM 0 HG12 VAL A 45 -3.114 1.653 -7.712 1.00 0.71 H new ATOM 0 HG13 VAL A 45 -1.483 1.541 -8.416 1.00 0.71 H new ATOM 0 HG21 VAL A 45 -0.078 1.981 -5.771 1.00 0.60 H new ATOM 0 HG22 VAL A 45 0.431 2.801 -7.267 1.00 0.60 H new ATOM 0 HG23 VAL A 45 0.063 3.755 -5.810 1.00 0.60 H new ATOM 698 N VAL A 46 -0.217 4.890 -9.293 1.00 0.66 N ATOM 699 CA VAL A 46 0.393 5.174 -10.617 1.00 0.69 C ATOM 700 C VAL A 46 1.710 4.409 -10.872 1.00 0.58 C ATOM 701 O VAL A 46 2.244 3.790 -9.945 1.00 0.57 O ATOM 702 CB VAL A 46 0.568 6.703 -10.798 1.00 0.85 C ATOM 703 CG1 VAL A 46 -0.744 7.455 -10.535 1.00 1.09 C ATOM 704 CG2 VAL A 46 1.673 7.302 -9.919 1.00 0.86 C ATOM 0 H VAL A 46 0.297 5.312 -8.520 1.00 0.66 H new ATOM 0 HA VAL A 46 -0.297 4.801 -11.374 1.00 0.69 H new ATOM 0 HB VAL A 46 0.867 6.831 -11.838 1.00 0.85 H new ATOM 0 HG11 VAL A 46 -0.584 8.525 -10.671 1.00 1.09 H new ATOM 0 HG12 VAL A 46 -1.507 7.111 -11.233 1.00 1.09 H new ATOM 0 HG13 VAL A 46 -1.074 7.265 -9.514 1.00 1.09 H new ATOM 0 HG21 VAL A 46 1.739 8.375 -10.098 1.00 0.86 H new ATOM 0 HG22 VAL A 46 1.440 7.123 -8.869 1.00 0.86 H new ATOM 0 HG23 VAL A 46 2.626 6.834 -10.164 1.00 0.86 H new ATOM 714 N PRO A 47 2.274 4.419 -12.101 1.00 0.64 N ATOM 715 CA PRO A 47 3.620 3.902 -12.372 1.00 0.74 C ATOM 716 C PRO A 47 4.687 4.500 -11.445 1.00 0.72 C ATOM 717 O PRO A 47 4.702 5.707 -11.202 1.00 0.89 O ATOM 718 CB PRO A 47 3.905 4.245 -13.840 1.00 1.00 C ATOM 719 CG PRO A 47 2.511 4.208 -14.456 1.00 0.99 C ATOM 720 CD PRO A 47 1.660 4.835 -13.355 1.00 0.75 C ATOM 0 HA PRO A 47 3.661 2.829 -12.185 1.00 0.74 H new ATOM 0 HB2 PRO A 47 4.371 5.225 -13.946 1.00 1.00 H new ATOM 0 HB3 PRO A 47 4.575 3.521 -14.305 1.00 1.00 H new ATOM 0 HG2 PRO A 47 2.460 4.777 -15.385 1.00 0.99 H new ATOM 0 HG3 PRO A 47 2.194 3.191 -14.687 1.00 0.99 H new ATOM 0 HD2 PRO A 47 1.644 5.921 -13.442 1.00 0.75 H new ATOM 0 HD3 PRO A 47 0.626 4.495 -13.417 1.00 0.75 H new ATOM 728 N GLY A 48 5.567 3.658 -10.903 1.00 0.69 N ATOM 729 CA GLY A 48 6.595 4.038 -9.921 1.00 0.74 C ATOM 730 C GLY A 48 6.092 4.331 -8.496 1.00 0.74 C ATOM 731 O GLY A 48 6.907 4.393 -7.573 1.00 1.03 O ATOM 0 H GLY A 48 5.589 2.666 -11.138 1.00 0.69 H new ATOM 0 HA2 GLY A 48 7.332 3.236 -9.867 1.00 0.74 H new ATOM 0 HA3 GLY A 48 7.113 4.923 -10.291 1.00 0.74 H new ATOM 735 N GLY A 49 4.778 4.499 -8.298 1.00 0.59 N ATOM 736 CA GLY A 49 4.175 4.906 -7.025 1.00 0.62 C ATOM 737 C GLY A 49 4.220 3.834 -5.930 1.00 0.64 C ATOM 738 O GLY A 49 4.414 2.648 -6.200 1.00 0.96 O ATOM 0 H GLY A 49 4.090 4.352 -9.037 1.00 0.59 H new ATOM 0 HA2 GLY A 49 4.686 5.798 -6.664 1.00 0.62 H new ATOM 0 HA3 GLY A 49 3.136 5.184 -7.202 1.00 0.62 H new ATOM 742 N LYS A 50 4.015 4.252 -4.677 1.00 0.60 N ATOM 743 CA LYS A 50 4.000 3.375 -3.491 1.00 0.62 C ATOM 744 C LYS A 50 2.589 3.175 -2.932 1.00 0.66 C ATOM 745 O LYS A 50 1.733 4.055 -3.051 1.00 0.97 O ATOM 746 CB LYS A 50 4.919 3.955 -2.408 1.00 0.74 C ATOM 747 CG LYS A 50 6.413 3.909 -2.757 1.00 0.83 C ATOM 748 CD LYS A 50 7.212 4.613 -1.653 1.00 1.16 C ATOM 749 CE LYS A 50 8.716 4.366 -1.785 1.00 1.43 C ATOM 750 NZ LYS A 50 9.450 5.118 -0.741 1.00 2.15 N ATOM 0 H LYS A 50 3.850 5.232 -4.449 1.00 0.60 H new ATOM 0 HA LYS A 50 4.364 2.396 -3.802 1.00 0.62 H new ATOM 0 HB2 LYS A 50 4.633 4.990 -2.221 1.00 0.74 H new ATOM 0 HB3 LYS A 50 4.758 3.407 -1.479 1.00 0.74 H new ATOM 0 HG2 LYS A 50 6.743 2.875 -2.858 1.00 0.83 H new ATOM 0 HG3 LYS A 50 6.590 4.395 -3.716 1.00 0.83 H new ATOM 0 HD2 LYS A 50 7.016 5.685 -1.691 1.00 1.16 H new ATOM 0 HD3 LYS A 50 6.871 4.261 -0.679 1.00 1.16 H new ATOM 0 HE2 LYS A 50 8.927 3.301 -1.692 1.00 1.43 H new ATOM 0 HE3 LYS A 50 9.057 4.674 -2.773 1.00 1.43 H new ATOM 0 HZ1 LYS A 50 10.470 4.943 -0.840 1.00 2.15 H new ATOM 0 HZ2 LYS A 50 9.261 6.135 -0.848 1.00 2.15 H new ATOM 0 HZ3 LYS A 50 9.135 4.805 0.199 1.00 2.15 H new ATOM 764 N PHE A 51 2.362 2.053 -2.249 1.00 0.59 N ATOM 765 CA PHE A 51 1.104 1.766 -1.542 1.00 0.61 C ATOM 766 C PHE A 51 1.129 2.314 -0.092 1.00 0.64 C ATOM 767 O PHE A 51 1.978 1.882 0.691 1.00 0.70 O ATOM 768 CB PHE A 51 0.835 0.253 -1.587 1.00 0.59 C ATOM 769 CG PHE A 51 0.521 -0.264 -2.981 1.00 0.55 C ATOM 770 CD1 PHE A 51 -0.806 -0.280 -3.446 1.00 2.05 C ATOM 771 CD2 PHE A 51 1.553 -0.702 -3.833 1.00 2.00 C ATOM 772 CE1 PHE A 51 -1.086 -0.728 -4.750 1.00 2.09 C ATOM 773 CE2 PHE A 51 1.273 -1.137 -5.139 1.00 1.98 C ATOM 774 CZ PHE A 51 -0.050 -1.148 -5.601 1.00 0.62 C ATOM 0 H PHE A 51 3.052 1.306 -2.167 1.00 0.59 H new ATOM 0 HA PHE A 51 0.284 2.279 -2.043 1.00 0.61 H new ATOM 0 HB2 PHE A 51 1.706 -0.275 -1.200 1.00 0.59 H new ATOM 0 HB3 PHE A 51 0.001 0.020 -0.925 1.00 0.59 H new ATOM 0 HD1 PHE A 51 -1.609 0.051 -2.804 1.00 2.05 H new ATOM 0 HD2 PHE A 51 2.573 -0.704 -3.478 1.00 2.00 H new ATOM 0 HE1 PHE A 51 -2.107 -0.749 -5.100 1.00 2.09 H new ATOM 0 HE2 PHE A 51 2.075 -1.462 -5.785 1.00 1.98 H new ATOM 0 HZ PHE A 51 -0.272 -1.477 -6.605 1.00 0.62 H new ATOM 784 N PRO A 52 0.227 3.237 0.313 1.00 0.63 N ATOM 785 CA PRO A 52 0.231 3.838 1.658 1.00 0.65 C ATOM 786 C PRO A 52 -0.511 3.023 2.736 1.00 0.61 C ATOM 787 O PRO A 52 -0.324 3.279 3.923 1.00 0.66 O ATOM 788 CB PRO A 52 -0.413 5.217 1.467 1.00 0.73 C ATOM 789 CG PRO A 52 -1.409 4.987 0.333 1.00 0.71 C ATOM 790 CD PRO A 52 -0.714 3.948 -0.547 1.00 0.67 C ATOM 0 HA PRO A 52 1.251 3.880 2.040 1.00 0.65 H new ATOM 0 HB2 PRO A 52 -0.910 5.558 2.375 1.00 0.73 H new ATOM 0 HB3 PRO A 52 0.327 5.973 1.205 1.00 0.73 H new ATOM 0 HG2 PRO A 52 -2.365 4.621 0.707 1.00 0.71 H new ATOM 0 HG3 PRO A 52 -1.612 5.907 -0.216 1.00 0.71 H new ATOM 0 HD2 PRO A 52 -1.439 3.259 -0.980 1.00 0.67 H new ATOM 0 HD3 PRO A 52 -0.195 4.428 -1.377 1.00 0.67 H new ATOM 798 N VAL A 53 -1.334 2.049 2.337 1.00 0.55 N ATOM 799 CA VAL A 53 -2.148 1.144 3.177 1.00 0.56 C ATOM 800 C VAL A 53 -2.357 -0.172 2.405 1.00 0.55 C ATOM 801 O VAL A 53 -1.985 -0.246 1.232 1.00 0.58 O ATOM 802 CB VAL A 53 -3.512 1.753 3.582 1.00 0.62 C ATOM 803 CG1 VAL A 53 -3.370 2.860 4.633 1.00 0.71 C ATOM 804 CG2 VAL A 53 -4.284 2.309 2.385 1.00 0.68 C ATOM 0 H VAL A 53 -1.464 1.852 1.345 1.00 0.55 H new ATOM 0 HA VAL A 53 -1.610 0.970 4.109 1.00 0.56 H new ATOM 0 HB VAL A 53 -4.074 0.924 4.012 1.00 0.62 H new ATOM 0 HG11 VAL A 53 -4.355 3.254 4.882 1.00 0.71 H new ATOM 0 HG12 VAL A 53 -2.904 2.452 5.530 1.00 0.71 H new ATOM 0 HG13 VAL A 53 -2.749 3.662 4.235 1.00 0.71 H new ATOM 0 HG21 VAL A 53 -5.233 2.724 2.725 1.00 0.68 H new ATOM 0 HG22 VAL A 53 -3.697 3.092 1.905 1.00 0.68 H new ATOM 0 HG23 VAL A 53 -4.474 1.508 1.670 1.00 0.68 H new ATOM 814 N ASP A 54 -2.919 -1.211 3.033 1.00 0.64 N ATOM 815 CA ASP A 54 -3.182 -2.505 2.373 1.00 0.69 C ATOM 816 C ASP A 54 -4.663 -2.709 1.999 1.00 0.71 C ATOM 817 O ASP A 54 -5.564 -2.260 2.715 1.00 0.79 O ATOM 818 CB ASP A 54 -2.594 -3.666 3.190 1.00 0.80 C ATOM 819 CG ASP A 54 -3.369 -4.011 4.455 1.00 0.81 C ATOM 820 OD1 ASP A 54 -3.239 -3.310 5.480 1.00 1.50 O ATOM 821 OD2 ASP A 54 -4.046 -5.061 4.490 1.00 1.72 O ATOM 0 H ASP A 54 -3.206 -1.184 4.012 1.00 0.64 H new ATOM 0 HA ASP A 54 -2.661 -2.490 1.415 1.00 0.69 H new ATOM 0 HB2 ASP A 54 -2.547 -4.551 2.556 1.00 0.80 H new ATOM 0 HB3 ASP A 54 -1.569 -3.416 3.465 1.00 0.80 H new ATOM 826 N GLY A 55 -4.926 -3.374 0.871 1.00 0.70 N ATOM 827 CA GLY A 55 -6.279 -3.522 0.320 1.00 0.71 C ATOM 828 C GLY A 55 -6.360 -4.341 -0.974 1.00 0.67 C ATOM 829 O GLY A 55 -5.446 -5.101 -1.308 1.00 0.69 O ATOM 0 H GLY A 55 -4.204 -3.827 0.311 1.00 0.70 H new ATOM 0 HA2 GLY A 55 -6.913 -3.993 1.072 1.00 0.71 H new ATOM 0 HA3 GLY A 55 -6.690 -2.530 0.132 1.00 0.71 H new ATOM 833 N ARG A 56 -7.467 -4.176 -1.710 1.00 0.69 N ATOM 834 CA ARG A 56 -7.817 -4.965 -2.907 1.00 0.69 C ATOM 835 C ARG A 56 -7.864 -4.107 -4.181 1.00 0.68 C ATOM 836 O ARG A 56 -8.327 -2.972 -4.166 1.00 0.69 O ATOM 837 CB ARG A 56 -9.113 -5.738 -2.602 1.00 0.75 C ATOM 838 CG ARG A 56 -9.669 -6.567 -3.767 1.00 1.13 C ATOM 839 CD ARG A 56 -10.896 -7.357 -3.305 1.00 1.22 C ATOM 840 NE ARG A 56 -11.618 -7.956 -4.441 1.00 2.68 N ATOM 841 CZ ARG A 56 -11.527 -9.189 -4.898 1.00 3.84 C ATOM 842 NH1 ARG A 56 -10.690 -10.067 -4.432 1.00 4.06 N ATOM 843 NH2 ARG A 56 -12.317 -9.571 -5.855 1.00 5.54 N ATOM 0 H ARG A 56 -8.167 -3.469 -1.485 1.00 0.69 H new ATOM 0 HA ARG A 56 -7.036 -5.692 -3.129 1.00 0.69 H new ATOM 0 HB2 ARG A 56 -8.930 -6.404 -1.758 1.00 0.75 H new ATOM 0 HB3 ARG A 56 -9.876 -5.026 -2.287 1.00 0.75 H new ATOM 0 HG2 ARG A 56 -9.938 -5.912 -4.595 1.00 1.13 H new ATOM 0 HG3 ARG A 56 -8.904 -7.250 -4.137 1.00 1.13 H new ATOM 0 HD2 ARG A 56 -10.585 -8.143 -2.617 1.00 1.22 H new ATOM 0 HD3 ARG A 56 -11.567 -6.698 -2.754 1.00 1.22 H new ATOM 0 HE ARG A 56 -12.267 -7.342 -4.934 1.00 2.68 H new ATOM 0 HH11 ARG A 56 -10.058 -9.816 -3.672 1.00 4.06 H new ATOM 0 HH12 ARG A 56 -10.665 -11.007 -4.826 1.00 4.06 H new ATOM 0 HH21 ARG A 56 -12.998 -8.919 -6.245 1.00 5.54 H new ATOM 0 HH22 ARG A 56 -12.256 -10.523 -6.217 1.00 5.54 H new ATOM 857 N VAL A 57 -7.371 -4.666 -5.284 1.00 0.70 N ATOM 858 CA VAL A 57 -7.271 -4.074 -6.628 1.00 0.68 C ATOM 859 C VAL A 57 -8.529 -4.416 -7.422 1.00 0.71 C ATOM 860 O VAL A 57 -8.860 -5.595 -7.541 1.00 0.81 O ATOM 861 CB VAL A 57 -6.057 -4.657 -7.389 1.00 0.74 C ATOM 862 CG1 VAL A 57 -5.861 -3.961 -8.740 1.00 0.73 C ATOM 863 CG2 VAL A 57 -4.737 -4.565 -6.615 1.00 0.87 C ATOM 0 H VAL A 57 -7.001 -5.617 -5.267 1.00 0.70 H new ATOM 0 HA VAL A 57 -7.156 -2.995 -6.521 1.00 0.68 H new ATOM 0 HB VAL A 57 -6.299 -5.711 -7.525 1.00 0.74 H new ATOM 0 HG11 VAL A 57 -5.000 -4.393 -9.250 1.00 0.73 H new ATOM 0 HG12 VAL A 57 -6.752 -4.098 -9.352 1.00 0.73 H new ATOM 0 HG13 VAL A 57 -5.691 -2.896 -8.580 1.00 0.73 H new ATOM 0 HG21 VAL A 57 -3.933 -4.994 -7.214 1.00 0.87 H new ATOM 0 HG22 VAL A 57 -4.512 -3.520 -6.402 1.00 0.87 H new ATOM 0 HG23 VAL A 57 -4.825 -5.116 -5.678 1.00 0.87 H new ATOM 873 N ILE A 58 -9.208 -3.427 -8.008 1.00 0.68 N ATOM 874 CA ILE A 58 -10.436 -3.652 -8.803 1.00 0.76 C ATOM 875 C ILE A 58 -10.530 -2.764 -10.060 1.00 0.78 C ATOM 876 O ILE A 58 -11.612 -2.510 -10.580 1.00 0.83 O ATOM 877 CB ILE A 58 -11.693 -3.516 -7.898 1.00 0.80 C ATOM 878 CG1 ILE A 58 -11.545 -2.320 -6.933 1.00 0.70 C ATOM 879 CG2 ILE A 58 -11.952 -4.819 -7.120 1.00 0.91 C ATOM 880 CD1 ILE A 58 -12.869 -1.869 -6.308 1.00 0.80 C ATOM 0 H ILE A 58 -8.930 -2.447 -7.950 1.00 0.68 H new ATOM 0 HA ILE A 58 -10.386 -4.672 -9.183 1.00 0.76 H new ATOM 0 HB ILE A 58 -12.554 -3.330 -8.540 1.00 0.80 H new ATOM 0 HG12 ILE A 58 -10.850 -2.590 -6.137 1.00 0.70 H new ATOM 0 HG13 ILE A 58 -11.103 -1.482 -7.472 1.00 0.70 H new ATOM 0 HG21 ILE A 58 -12.836 -4.699 -6.494 1.00 0.91 H new ATOM 0 HG22 ILE A 58 -12.113 -5.637 -7.823 1.00 0.91 H new ATOM 0 HG23 ILE A 58 -11.090 -5.045 -6.492 1.00 0.91 H new ATOM 0 HD11 ILE A 58 -12.688 -1.025 -5.642 1.00 0.80 H new ATOM 0 HD12 ILE A 58 -13.559 -1.568 -7.096 1.00 0.80 H new ATOM 0 HD13 ILE A 58 -13.303 -2.693 -5.741 1.00 0.80 H new ATOM 892 N GLU A 59 -9.393 -2.435 -10.666 1.00 0.76 N ATOM 893 CA GLU A 59 -9.290 -1.832 -12.003 1.00 0.81 C ATOM 894 C GLU A 59 -7.838 -1.958 -12.470 1.00 0.80 C ATOM 895 O GLU A 59 -6.933 -1.598 -11.713 1.00 0.82 O ATOM 896 CB GLU A 59 -9.683 -0.337 -12.008 1.00 0.85 C ATOM 897 CG GLU A 59 -10.040 0.155 -13.421 1.00 1.18 C ATOM 898 CD GLU A 59 -10.180 1.684 -13.506 1.00 2.53 C ATOM 899 OE1 GLU A 59 -9.160 2.364 -13.793 1.00 3.80 O ATOM 900 OE2 GLU A 59 -11.319 2.206 -13.370 1.00 3.41 O ATOM 0 H GLU A 59 -8.483 -2.584 -10.230 1.00 0.76 H new ATOM 0 HA GLU A 59 -9.979 -2.356 -12.666 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -10.533 -0.182 -11.344 1.00 0.85 H new ATOM 0 HB3 GLU A 59 -8.858 0.257 -11.614 1.00 0.85 H new ATOM 0 HG2 GLU A 59 -9.270 -0.173 -14.120 1.00 1.18 H new ATOM 0 HG3 GLU A 59 -10.975 -0.308 -13.736 1.00 1.18 H new ATOM 907 N GLY A 60 -7.616 -2.415 -13.704 1.00 0.79 N ATOM 908 CA GLY A 60 -6.304 -2.373 -14.342 1.00 0.81 C ATOM 909 C GLY A 60 -5.360 -3.537 -14.029 1.00 0.78 C ATOM 910 O GLY A 60 -5.719 -4.523 -13.387 1.00 0.82 O ATOM 0 H GLY A 60 -8.345 -2.825 -14.288 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -6.450 -2.331 -15.421 1.00 0.81 H new ATOM 0 HA3 GLY A 60 -5.811 -1.445 -14.051 1.00 0.81 H new ATOM 914 N HIS A 61 -4.118 -3.401 -14.499 1.00 0.74 N ATOM 915 CA HIS A 61 -3.065 -4.411 -14.352 1.00 0.70 C ATOM 916 C HIS A 61 -1.663 -3.775 -14.310 1.00 0.78 C ATOM 917 O HIS A 61 -1.316 -2.967 -15.173 1.00 1.15 O ATOM 918 CB HIS A 61 -3.205 -5.494 -15.436 1.00 0.73 C ATOM 919 CG HIS A 61 -3.162 -5.019 -16.868 1.00 0.95 C ATOM 920 ND1 HIS A 61 -4.243 -4.889 -17.710 1.00 1.82 N ATOM 921 CD2 HIS A 61 -2.041 -4.750 -17.605 1.00 1.64 C ATOM 922 CE1 HIS A 61 -3.784 -4.562 -18.930 1.00 1.91 C ATOM 923 NE2 HIS A 61 -2.439 -4.460 -18.920 1.00 1.79 N ATOM 0 H HIS A 61 -3.809 -2.570 -15.003 1.00 0.74 H new ATOM 0 HA HIS A 61 -3.191 -4.904 -13.388 1.00 0.70 H new ATOM 0 HB2 HIS A 61 -2.408 -6.224 -15.294 1.00 0.73 H new ATOM 0 HB3 HIS A 61 -4.148 -6.016 -15.277 1.00 0.73 H new ATOM 0 HD2 HIS A 61 -1.025 -4.759 -17.238 1.00 1.64 H new ATOM 0 HE1 HIS A 61 -4.406 -4.403 -19.798 1.00 1.91 H new ATOM 0 HE2 HIS A 61 -1.835 -4.221 -19.706 1.00 1.79 H new ATOM 931 N SER A 62 -0.899 -4.108 -13.263 1.00 0.66 N ATOM 932 CA SER A 62 0.479 -3.637 -13.011 1.00 0.68 C ATOM 933 C SER A 62 1.362 -4.695 -12.352 1.00 0.70 C ATOM 934 O SER A 62 0.854 -5.704 -11.859 1.00 0.75 O ATOM 935 CB SER A 62 0.468 -2.370 -12.152 1.00 0.73 C ATOM 936 OG SER A 62 1.582 -1.565 -12.465 1.00 1.27 O ATOM 0 H SER A 62 -1.233 -4.739 -12.535 1.00 0.66 H new ATOM 0 HA SER A 62 0.909 -3.419 -13.989 1.00 0.68 H new ATOM 0 HB2 SER A 62 -0.453 -1.813 -12.323 1.00 0.73 H new ATOM 0 HB3 SER A 62 0.487 -2.637 -11.095 1.00 0.73 H new ATOM 0 HG SER A 62 1.296 -0.632 -12.558 1.00 1.27 H new ATOM 942 N MET A 63 2.674 -4.448 -12.277 1.00 0.72 N ATOM 943 CA MET A 63 3.633 -5.340 -11.621 1.00 0.71 C ATOM 944 C MET A 63 4.223 -4.692 -10.354 1.00 0.62 C ATOM 945 O MET A 63 4.775 -3.590 -10.391 1.00 0.68 O ATOM 946 CB MET A 63 4.677 -5.764 -12.660 1.00 0.82 C ATOM 947 CG MET A 63 5.660 -6.799 -12.116 1.00 0.86 C ATOM 948 SD MET A 63 6.552 -7.705 -13.410 1.00 1.12 S ATOM 949 CE MET A 63 5.289 -8.934 -13.837 1.00 1.23 C ATOM 0 H MET A 63 3.104 -3.613 -12.675 1.00 0.72 H new ATOM 0 HA MET A 63 3.142 -6.243 -11.257 1.00 0.71 H new ATOM 0 HB2 MET A 63 4.170 -6.174 -13.533 1.00 0.82 H new ATOM 0 HB3 MET A 63 5.228 -4.886 -12.995 1.00 0.82 H new ATOM 0 HG2 MET A 63 6.382 -6.298 -11.471 1.00 0.86 H new ATOM 0 HG3 MET A 63 5.118 -7.511 -11.494 1.00 0.86 H new ATOM 0 HE1 MET A 63 5.667 -9.585 -14.625 1.00 1.23 H new ATOM 0 HE2 MET A 63 5.050 -9.531 -12.957 1.00 1.23 H new ATOM 0 HE3 MET A 63 4.390 -8.426 -14.186 1.00 1.23 H new ATOM 959 N VAL A 64 4.101 -5.367 -9.211 1.00 0.59 N ATOM 960 CA VAL A 64 4.423 -4.831 -7.878 1.00 0.53 C ATOM 961 C VAL A 64 5.655 -5.519 -7.285 1.00 0.56 C ATOM 962 O VAL A 64 5.831 -6.727 -7.416 1.00 0.68 O ATOM 963 CB VAL A 64 3.197 -4.908 -6.944 1.00 0.52 C ATOM 964 CG1 VAL A 64 3.490 -4.349 -5.546 1.00 0.53 C ATOM 965 CG2 VAL A 64 2.025 -4.096 -7.518 1.00 0.53 C ATOM 0 H VAL A 64 3.766 -6.330 -9.180 1.00 0.59 H new ATOM 0 HA VAL A 64 4.677 -3.776 -7.985 1.00 0.53 H new ATOM 0 HB VAL A 64 2.947 -5.966 -6.868 1.00 0.52 H new ATOM 0 HG11 VAL A 64 2.595 -4.426 -4.928 1.00 0.53 H new ATOM 0 HG12 VAL A 64 4.298 -4.920 -5.088 1.00 0.53 H new ATOM 0 HG13 VAL A 64 3.785 -3.303 -5.627 1.00 0.53 H new ATOM 0 HG21 VAL A 64 1.171 -4.164 -6.844 1.00 0.53 H new ATOM 0 HG22 VAL A 64 2.322 -3.053 -7.623 1.00 0.53 H new ATOM 0 HG23 VAL A 64 1.749 -4.495 -8.494 1.00 0.53 H new ATOM 975 N ASP A 65 6.509 -4.745 -6.619 1.00 0.51 N ATOM 976 CA ASP A 65 7.693 -5.223 -5.904 1.00 0.55 C ATOM 977 C ASP A 65 7.423 -5.196 -4.390 1.00 0.57 C ATOM 978 O ASP A 65 7.278 -4.129 -3.785 1.00 0.68 O ATOM 979 CB ASP A 65 8.914 -4.397 -6.328 1.00 0.61 C ATOM 980 CG ASP A 65 10.211 -4.933 -5.725 1.00 0.73 C ATOM 981 OD1 ASP A 65 10.671 -6.027 -6.141 1.00 1.86 O ATOM 982 OD2 ASP A 65 10.796 -4.230 -4.866 1.00 1.50 O ATOM 0 H ASP A 65 6.393 -3.733 -6.559 1.00 0.51 H new ATOM 0 HA ASP A 65 7.914 -6.259 -6.161 1.00 0.55 H new ATOM 0 HB2 ASP A 65 8.993 -4.400 -7.415 1.00 0.61 H new ATOM 0 HB3 ASP A 65 8.774 -3.361 -6.021 1.00 0.61 H new ATOM 987 N GLU A 66 7.344 -6.383 -3.791 1.00 0.56 N ATOM 988 CA GLU A 66 6.878 -6.652 -2.420 1.00 0.66 C ATOM 989 C GLU A 66 7.834 -7.546 -1.596 1.00 0.75 C ATOM 990 O GLU A 66 7.467 -8.063 -0.539 1.00 0.93 O ATOM 991 CB GLU A 66 5.430 -7.191 -2.472 1.00 1.01 C ATOM 992 CG GLU A 66 5.170 -8.347 -3.459 1.00 0.95 C ATOM 993 CD GLU A 66 3.726 -8.865 -3.352 1.00 1.08 C ATOM 994 OE1 GLU A 66 2.783 -8.174 -3.809 1.00 2.00 O ATOM 995 OE2 GLU A 66 3.507 -9.962 -2.779 1.00 1.64 O ATOM 0 H GLU A 66 7.619 -7.238 -4.274 1.00 0.56 H new ATOM 0 HA GLU A 66 6.881 -5.709 -1.873 1.00 0.66 H new ATOM 0 HB2 GLU A 66 5.152 -7.525 -1.472 1.00 1.01 H new ATOM 0 HB3 GLU A 66 4.766 -6.366 -2.728 1.00 1.01 H new ATOM 0 HG2 GLU A 66 5.361 -8.008 -4.477 1.00 0.95 H new ATOM 0 HG3 GLU A 66 5.866 -9.162 -3.258 1.00 0.95 H new ATOM 1002 N SER A 67 9.076 -7.708 -2.070 1.00 0.81 N ATOM 1003 CA SER A 67 10.079 -8.654 -1.559 1.00 1.10 C ATOM 1004 C SER A 67 10.356 -8.618 -0.050 1.00 1.28 C ATOM 1005 O SER A 67 10.650 -9.671 0.514 1.00 1.68 O ATOM 1006 CB SER A 67 11.401 -8.472 -2.317 1.00 1.23 C ATOM 1007 OG SER A 67 11.990 -7.209 -2.062 1.00 1.41 O ATOM 0 H SER A 67 9.426 -7.159 -2.855 1.00 0.81 H new ATOM 0 HA SER A 67 9.631 -9.632 -1.736 1.00 1.10 H new ATOM 0 HB2 SER A 67 12.096 -9.261 -2.029 1.00 1.23 H new ATOM 0 HB3 SER A 67 11.223 -8.580 -3.387 1.00 1.23 H new ATOM 0 HG SER A 67 12.830 -7.133 -2.561 1.00 1.41 H new ATOM 1013 N LEU A 68 10.245 -7.470 0.629 1.00 1.13 N ATOM 1014 CA LEU A 68 10.440 -7.358 2.087 1.00 1.33 C ATOM 1015 C LEU A 68 9.172 -7.805 2.842 1.00 1.38 C ATOM 1016 O LEU A 68 9.255 -8.430 3.902 1.00 1.57 O ATOM 1017 CB LEU A 68 10.854 -5.895 2.385 1.00 1.38 C ATOM 1018 CG LEU A 68 11.446 -5.494 3.756 1.00 1.52 C ATOM 1019 CD1 LEU A 68 10.483 -5.609 4.937 1.00 1.72 C ATOM 1020 CD2 LEU A 68 12.742 -6.216 4.116 1.00 1.46 C ATOM 0 H LEU A 68 10.015 -6.583 0.182 1.00 1.13 H new ATOM 0 HA LEU A 68 11.229 -8.022 2.439 1.00 1.33 H new ATOM 0 HB2 LEU A 68 11.584 -5.610 1.627 1.00 1.38 H new ATOM 0 HB3 LEU A 68 9.971 -5.276 2.226 1.00 1.38 H new ATOM 0 HG LEU A 68 11.661 -4.437 3.596 1.00 1.52 H new ATOM 0 HD11 LEU A 68 10.992 -5.306 5.852 1.00 1.72 H new ATOM 0 HD12 LEU A 68 9.622 -4.962 4.769 1.00 1.72 H new ATOM 0 HD13 LEU A 68 10.147 -6.642 5.034 1.00 1.72 H new ATOM 0 HD21 LEU A 68 13.089 -5.876 5.092 1.00 1.46 H new ATOM 0 HD22 LEU A 68 12.563 -7.291 4.148 1.00 1.46 H new ATOM 0 HD23 LEU A 68 13.501 -5.997 3.365 1.00 1.46 H new ATOM 1032 N ILE A 69 7.991 -7.547 2.270 1.00 1.29 N ATOM 1033 CA ILE A 69 6.697 -7.817 2.911 1.00 1.37 C ATOM 1034 C ILE A 69 6.335 -9.305 2.825 1.00 1.52 C ATOM 1035 O ILE A 69 6.159 -9.952 3.860 1.00 1.70 O ATOM 1036 CB ILE A 69 5.558 -6.935 2.344 1.00 1.20 C ATOM 1037 CG1 ILE A 69 5.926 -5.458 2.065 1.00 1.11 C ATOM 1038 CG2 ILE A 69 4.365 -7.021 3.314 1.00 1.21 C ATOM 1039 CD1 ILE A 69 6.526 -4.687 3.242 1.00 1.13 C ATOM 0 H ILE A 69 7.905 -7.140 1.339 1.00 1.29 H new ATOM 0 HA ILE A 69 6.808 -7.552 3.962 1.00 1.37 H new ATOM 0 HB ILE A 69 5.318 -7.332 1.358 1.00 1.20 H new ATOM 0 HG12 ILE A 69 6.635 -5.430 1.238 1.00 1.11 H new ATOM 0 HG13 ILE A 69 5.028 -4.936 1.733 1.00 1.11 H new ATOM 0 HG21 ILE A 69 3.546 -6.408 2.939 1.00 1.21 H new ATOM 0 HG22 ILE A 69 4.035 -8.057 3.394 1.00 1.21 H new ATOM 0 HG23 ILE A 69 4.668 -6.660 4.297 1.00 1.21 H new ATOM 0 HD11 ILE A 69 6.745 -3.665 2.934 1.00 1.13 H new ATOM 0 HD12 ILE A 69 5.815 -4.672 4.068 1.00 1.13 H new ATOM 0 HD13 ILE A 69 7.446 -5.174 3.565 1.00 1.13 H new ATOM 1051 N THR A 70 6.250 -9.857 1.610 1.00 1.50 N ATOM 1052 CA THR A 70 5.831 -11.250 1.335 1.00 1.67 C ATOM 1053 C THR A 70 7.004 -12.231 1.181 1.00 1.75 C ATOM 1054 O THR A 70 6.801 -13.425 0.942 1.00 2.07 O ATOM 1055 CB THR A 70 4.879 -11.298 0.126 1.00 1.60 C ATOM 1056 OG1 THR A 70 5.437 -10.601 -0.960 1.00 1.53 O ATOM 1057 CG2 THR A 70 3.537 -10.642 0.449 1.00 1.67 C ATOM 0 H THR A 70 6.476 -9.338 0.761 1.00 1.50 H new ATOM 0 HA THR A 70 5.291 -11.592 2.218 1.00 1.67 H new ATOM 0 HB THR A 70 4.728 -12.349 -0.120 1.00 1.60 H new ATOM 0 HG1 THR A 70 4.724 -10.325 -1.573 1.00 1.53 H new ATOM 0 HG21 THR A 70 2.888 -10.692 -0.425 1.00 1.67 H new ATOM 0 HG22 THR A 70 3.067 -11.166 1.281 1.00 1.67 H new ATOM 0 HG23 THR A 70 3.698 -9.599 0.722 1.00 1.67 H new ATOM 1065 N GLY A 71 8.237 -11.729 1.319 1.00 1.58 N ATOM 1066 CA GLY A 71 9.479 -12.519 1.328 1.00 1.68 C ATOM 1067 C GLY A 71 9.895 -13.041 -0.051 1.00 1.46 C ATOM 1068 O GLY A 71 10.627 -14.026 -0.157 1.00 1.81 O ATOM 0 H GLY A 71 8.406 -10.729 1.431 1.00 1.58 H new ATOM 0 HA2 GLY A 71 10.285 -11.906 1.731 1.00 1.68 H new ATOM 0 HA3 GLY A 71 9.354 -13.366 2.003 1.00 1.68 H new ATOM 1072 N GLU A 72 9.387 -12.408 -1.105 1.00 1.04 N ATOM 1073 CA GLU A 72 9.711 -12.680 -2.506 1.00 0.90 C ATOM 1074 C GLU A 72 11.132 -12.174 -2.858 1.00 0.99 C ATOM 1075 O GLU A 72 11.937 -11.832 -1.987 1.00 2.36 O ATOM 1076 CB GLU A 72 8.595 -12.057 -3.378 1.00 1.00 C ATOM 1077 CG GLU A 72 7.210 -12.706 -3.172 1.00 1.12 C ATOM 1078 CD GLU A 72 7.154 -14.185 -3.590 1.00 1.43 C ATOM 1079 OE1 GLU A 72 7.777 -14.553 -4.617 1.00 2.63 O ATOM 1080 OE2 GLU A 72 6.491 -14.982 -2.879 1.00 1.56 O ATOM 0 H GLU A 72 8.706 -11.656 -1.003 1.00 1.04 H new ATOM 0 HA GLU A 72 9.741 -13.752 -2.701 1.00 0.90 H new ATOM 0 HB2 GLU A 72 8.524 -10.992 -3.155 1.00 1.00 H new ATOM 0 HB3 GLU A 72 8.875 -12.145 -4.428 1.00 1.00 H new ATOM 0 HG2 GLU A 72 6.932 -12.623 -2.121 1.00 1.12 H new ATOM 0 HG3 GLU A 72 6.468 -12.148 -3.743 1.00 1.12 H new ATOM 1087 N ALA A 73 11.460 -12.139 -4.146 1.00 1.23 N ATOM 1088 CA ALA A 73 12.690 -11.573 -4.713 1.00 1.13 C ATOM 1089 C ALA A 73 12.444 -11.038 -6.136 1.00 1.03 C ATOM 1090 O ALA A 73 13.014 -10.018 -6.526 1.00 1.68 O ATOM 1091 CB ALA A 73 13.779 -12.653 -4.730 1.00 1.72 C ATOM 0 H ALA A 73 10.846 -12.524 -4.864 1.00 1.23 H new ATOM 0 HA ALA A 73 13.014 -10.736 -4.094 1.00 1.13 H new ATOM 0 HB1 ALA A 73 14.696 -12.239 -5.150 1.00 1.72 H new ATOM 0 HB2 ALA A 73 13.968 -12.995 -3.712 1.00 1.72 H new ATOM 0 HB3 ALA A 73 13.448 -13.494 -5.340 1.00 1.72 H new ATOM 1097 N MET A 74 11.564 -11.698 -6.893 1.00 1.10 N ATOM 1098 CA MET A 74 11.030 -11.235 -8.177 1.00 1.08 C ATOM 1099 C MET A 74 9.817 -10.303 -7.964 1.00 0.98 C ATOM 1100 O MET A 74 9.185 -10.339 -6.904 1.00 1.11 O ATOM 1101 CB MET A 74 10.623 -12.449 -9.033 1.00 1.50 C ATOM 1102 CG MET A 74 11.769 -13.434 -9.299 1.00 2.26 C ATOM 1103 SD MET A 74 13.163 -12.765 -10.249 1.00 4.21 S ATOM 1104 CE MET A 74 14.286 -14.190 -10.179 1.00 4.86 C ATOM 0 H MET A 74 11.189 -12.606 -6.618 1.00 1.10 H new ATOM 0 HA MET A 74 11.804 -10.669 -8.695 1.00 1.08 H new ATOM 0 HB2 MET A 74 9.811 -12.978 -8.534 1.00 1.50 H new ATOM 0 HB3 MET A 74 10.233 -12.094 -9.987 1.00 1.50 H new ATOM 0 HG2 MET A 74 12.144 -13.797 -8.342 1.00 2.26 H new ATOM 0 HG3 MET A 74 11.368 -14.296 -9.832 1.00 2.26 H new ATOM 0 HE1 MET A 74 15.205 -13.956 -10.717 1.00 4.86 H new ATOM 0 HE2 MET A 74 14.522 -14.416 -9.139 1.00 4.86 H new ATOM 0 HE3 MET A 74 13.806 -15.054 -10.639 1.00 4.86 H new ATOM 1114 N PRO A 75 9.479 -9.443 -8.938 1.00 1.00 N ATOM 1115 CA PRO A 75 8.210 -8.710 -8.958 1.00 0.97 C ATOM 1116 C PRO A 75 6.994 -9.631 -9.202 1.00 0.86 C ATOM 1117 O PRO A 75 7.139 -10.737 -9.732 1.00 0.84 O ATOM 1118 CB PRO A 75 8.360 -7.676 -10.076 1.00 1.16 C ATOM 1119 CG PRO A 75 9.867 -7.505 -10.236 1.00 1.60 C ATOM 1120 CD PRO A 75 10.398 -8.902 -9.927 1.00 1.23 C ATOM 0 HA PRO A 75 8.015 -8.245 -7.992 1.00 0.97 H new ATOM 0 HB2 PRO A 75 7.899 -8.022 -11.001 1.00 1.16 H new ATOM 0 HB3 PRO A 75 7.879 -6.734 -9.813 1.00 1.16 H new ATOM 0 HG2 PRO A 75 10.133 -7.184 -11.243 1.00 1.60 H new ATOM 0 HG3 PRO A 75 10.265 -6.759 -9.548 1.00 1.60 H new ATOM 0 HD2 PRO A 75 10.423 -9.522 -10.823 1.00 1.23 H new ATOM 0 HD3 PRO A 75 11.416 -8.861 -9.539 1.00 1.23 H new ATOM 1128 N VAL A 76 5.792 -9.162 -8.849 1.00 0.88 N ATOM 1129 CA VAL A 76 4.522 -9.917 -8.882 1.00 0.91 C ATOM 1130 C VAL A 76 3.451 -9.191 -9.706 1.00 0.87 C ATOM 1131 O VAL A 76 3.169 -8.016 -9.470 1.00 0.76 O ATOM 1132 CB VAL A 76 4.009 -10.150 -7.442 1.00 0.91 C ATOM 1133 CG1 VAL A 76 2.658 -10.879 -7.418 1.00 1.03 C ATOM 1134 CG2 VAL A 76 5.001 -10.978 -6.611 1.00 0.98 C ATOM 0 H VAL A 76 5.666 -8.206 -8.517 1.00 0.88 H new ATOM 0 HA VAL A 76 4.718 -10.876 -9.361 1.00 0.91 H new ATOM 0 HB VAL A 76 3.897 -9.155 -7.010 1.00 0.91 H new ATOM 0 HG11 VAL A 76 2.339 -11.020 -6.385 1.00 1.03 H new ATOM 0 HG12 VAL A 76 1.915 -10.285 -7.950 1.00 1.03 H new ATOM 0 HG13 VAL A 76 2.760 -11.850 -7.902 1.00 1.03 H new ATOM 0 HG21 VAL A 76 4.604 -11.120 -5.606 1.00 0.98 H new ATOM 0 HG22 VAL A 76 5.149 -11.949 -7.083 1.00 0.98 H new ATOM 0 HG23 VAL A 76 5.955 -10.453 -6.554 1.00 0.98 H new ATOM 1144 N ALA A 77 2.799 -9.888 -10.638 1.00 0.97 N ATOM 1145 CA ALA A 77 1.725 -9.338 -11.470 1.00 0.94 C ATOM 1146 C ALA A 77 0.366 -9.255 -10.735 1.00 0.88 C ATOM 1147 O ALA A 77 -0.110 -10.240 -10.158 1.00 1.06 O ATOM 1148 CB ALA A 77 1.623 -10.191 -12.741 1.00 1.07 C ATOM 0 H ALA A 77 3.005 -10.866 -10.840 1.00 0.97 H new ATOM 0 HA ALA A 77 1.974 -8.307 -11.722 1.00 0.94 H new ATOM 0 HB1 ALA A 77 0.829 -9.801 -13.378 1.00 1.07 H new ATOM 0 HB2 ALA A 77 2.570 -10.156 -13.279 1.00 1.07 H new ATOM 0 HB3 ALA A 77 1.397 -11.222 -12.470 1.00 1.07 H new ATOM 1154 N LYS A 78 -0.293 -8.092 -10.813 1.00 0.72 N ATOM 1155 CA LYS A 78 -1.641 -7.799 -10.281 1.00 0.72 C ATOM 1156 C LYS A 78 -2.640 -7.541 -11.428 1.00 0.79 C ATOM 1157 O LYS A 78 -2.241 -7.059 -12.493 1.00 0.86 O ATOM 1158 CB LYS A 78 -1.573 -6.592 -9.318 1.00 0.66 C ATOM 1159 CG LYS A 78 -0.510 -6.650 -8.197 1.00 0.62 C ATOM 1160 CD LYS A 78 -0.672 -7.805 -7.189 1.00 0.70 C ATOM 1161 CE LYS A 78 0.439 -7.781 -6.123 1.00 0.65 C ATOM 1162 NZ LYS A 78 0.184 -8.723 -5.001 1.00 0.73 N ATOM 0 H LYS A 78 0.119 -7.281 -11.274 1.00 0.72 H new ATOM 0 HA LYS A 78 -1.997 -8.666 -9.726 1.00 0.72 H new ATOM 0 HB2 LYS A 78 -1.392 -5.695 -9.911 1.00 0.66 H new ATOM 0 HB3 LYS A 78 -2.551 -6.474 -8.852 1.00 0.66 H new ATOM 0 HG2 LYS A 78 0.475 -6.728 -8.658 1.00 0.62 H new ATOM 0 HG3 LYS A 78 -0.532 -5.707 -7.650 1.00 0.62 H new ATOM 0 HD2 LYS A 78 -1.645 -7.733 -6.704 1.00 0.70 H new ATOM 0 HD3 LYS A 78 -0.650 -8.758 -7.718 1.00 0.70 H new ATOM 0 HE2 LYS A 78 1.391 -8.031 -6.592 1.00 0.65 H new ATOM 0 HE3 LYS A 78 0.534 -6.770 -5.727 1.00 0.65 H new ATOM 0 HZ1 LYS A 78 1.002 -8.727 -4.358 1.00 0.73 H new ATOM 0 HZ2 LYS A 78 -0.664 -8.421 -4.480 1.00 0.73 H new ATOM 0 HZ3 LYS A 78 0.036 -9.681 -5.379 1.00 0.73 H new ATOM 1176 N LYS A 79 -3.929 -7.817 -11.209 1.00 0.84 N ATOM 1177 CA LYS A 79 -5.067 -7.734 -12.155 1.00 0.93 C ATOM 1178 C LYS A 79 -6.322 -7.191 -11.425 1.00 0.98 C ATOM 1179 O LYS A 79 -6.251 -6.966 -10.211 1.00 1.01 O ATOM 1180 CB LYS A 79 -5.294 -9.159 -12.725 1.00 0.96 C ATOM 1181 CG LYS A 79 -4.506 -9.376 -14.029 1.00 2.86 C ATOM 1182 CD LYS A 79 -4.890 -10.653 -14.799 1.00 3.08 C ATOM 1183 CE LYS A 79 -4.632 -11.938 -14.003 1.00 2.37 C ATOM 1184 NZ LYS A 79 -4.791 -13.153 -14.842 1.00 2.79 N ATOM 0 H LYS A 79 -4.239 -8.132 -10.290 1.00 0.84 H new ATOM 0 HA LYS A 79 -4.859 -7.045 -12.974 1.00 0.93 H new ATOM 0 HB2 LYS A 79 -4.989 -9.900 -11.987 1.00 0.96 H new ATOM 0 HB3 LYS A 79 -6.357 -9.313 -12.911 1.00 0.96 H new ATOM 0 HG2 LYS A 79 -4.659 -8.515 -14.679 1.00 2.86 H new ATOM 0 HG3 LYS A 79 -3.442 -9.414 -13.794 1.00 2.86 H new ATOM 0 HD2 LYS A 79 -5.946 -10.605 -15.067 1.00 3.08 H new ATOM 0 HD3 LYS A 79 -4.326 -10.691 -15.731 1.00 3.08 H new ATOM 0 HE2 LYS A 79 -3.624 -11.912 -13.590 1.00 2.37 H new ATOM 0 HE3 LYS A 79 -5.321 -11.987 -13.160 1.00 2.37 H new ATOM 0 HZ1 LYS A 79 -4.608 -13.999 -14.266 1.00 2.79 H new ATOM 0 HZ2 LYS A 79 -5.761 -13.192 -15.216 1.00 2.79 H new ATOM 0 HZ3 LYS A 79 -4.116 -13.120 -15.632 1.00 2.79 H new ATOM 1198 N PRO A 80 -7.486 -6.977 -12.078 1.00 1.04 N ATOM 1199 CA PRO A 80 -8.716 -6.692 -11.336 1.00 1.10 C ATOM 1200 C PRO A 80 -9.135 -7.935 -10.528 1.00 1.12 C ATOM 1201 O PRO A 80 -9.235 -9.036 -11.078 1.00 1.27 O ATOM 1202 CB PRO A 80 -9.749 -6.278 -12.389 1.00 1.20 C ATOM 1203 CG PRO A 80 -9.287 -7.014 -13.647 1.00 1.15 C ATOM 1204 CD PRO A 80 -7.764 -7.013 -13.514 1.00 1.09 C ATOM 0 HA PRO A 80 -8.600 -5.893 -10.604 1.00 1.10 H new ATOM 0 HB2 PRO A 80 -10.758 -6.572 -12.099 1.00 1.20 H new ATOM 0 HB3 PRO A 80 -9.761 -5.198 -12.537 1.00 1.20 H new ATOM 0 HG2 PRO A 80 -9.687 -8.027 -13.690 1.00 1.15 H new ATOM 0 HG3 PRO A 80 -9.612 -6.504 -14.554 1.00 1.15 H new ATOM 0 HD2 PRO A 80 -7.331 -7.902 -13.973 1.00 1.09 H new ATOM 0 HD3 PRO A 80 -7.329 -6.150 -14.018 1.00 1.09 H new ATOM 1212 N GLY A 81 -9.385 -7.759 -9.228 1.00 1.09 N ATOM 1213 CA GLY A 81 -9.605 -8.832 -8.250 1.00 1.11 C ATOM 1214 C GLY A 81 -8.333 -9.348 -7.556 1.00 1.01 C ATOM 1215 O GLY A 81 -8.319 -10.497 -7.103 1.00 1.02 O ATOM 0 H GLY A 81 -9.442 -6.830 -8.810 1.00 1.09 H new ATOM 0 HA2 GLY A 81 -10.297 -8.473 -7.488 1.00 1.11 H new ATOM 0 HA3 GLY A 81 -10.091 -9.668 -8.753 1.00 1.11 H new ATOM 1219 N SER A 82 -7.275 -8.536 -7.459 1.00 1.00 N ATOM 1220 CA SER A 82 -5.981 -8.895 -6.828 1.00 0.92 C ATOM 1221 C SER A 82 -5.805 -8.165 -5.487 1.00 0.86 C ATOM 1222 O SER A 82 -6.638 -7.329 -5.146 1.00 0.89 O ATOM 1223 CB SER A 82 -4.819 -8.569 -7.776 1.00 0.85 C ATOM 1224 OG SER A 82 -4.858 -9.364 -8.945 1.00 2.07 O ATOM 0 H SER A 82 -7.286 -7.584 -7.824 1.00 1.00 H new ATOM 0 HA SER A 82 -5.980 -9.967 -6.631 1.00 0.92 H new ATOM 0 HB2 SER A 82 -4.859 -7.515 -8.051 1.00 0.85 H new ATOM 0 HB3 SER A 82 -3.872 -8.728 -7.259 1.00 0.85 H new ATOM 0 HG SER A 82 -3.978 -9.767 -9.096 1.00 2.07 H new ATOM 1230 N THR A 83 -4.757 -8.427 -4.699 1.00 0.96 N ATOM 1231 CA THR A 83 -4.551 -7.781 -3.383 1.00 0.91 C ATOM 1232 C THR A 83 -3.139 -7.218 -3.220 1.00 0.76 C ATOM 1233 O THR A 83 -2.180 -7.696 -3.828 1.00 0.73 O ATOM 1234 CB THR A 83 -4.899 -8.712 -2.208 1.00 1.02 C ATOM 1235 OG1 THR A 83 -4.085 -9.861 -2.210 1.00 1.00 O ATOM 1236 CG2 THR A 83 -6.351 -9.188 -2.246 1.00 1.23 C ATOM 0 H THR A 83 -4.024 -9.091 -4.948 1.00 0.96 H new ATOM 0 HA THR A 83 -5.247 -6.942 -3.360 1.00 0.91 H new ATOM 0 HB THR A 83 -4.733 -8.118 -1.309 1.00 1.02 H new ATOM 0 HG1 THR A 83 -4.326 -10.434 -1.452 1.00 1.00 H new ATOM 0 HG21 THR A 83 -6.542 -9.841 -1.395 1.00 1.23 H new ATOM 0 HG22 THR A 83 -7.018 -8.327 -2.199 1.00 1.23 H new ATOM 0 HG23 THR A 83 -6.530 -9.736 -3.171 1.00 1.23 H new ATOM 1244 N VAL A 84 -3.013 -6.152 -2.428 1.00 0.71 N ATOM 1245 CA VAL A 84 -1.778 -5.367 -2.267 1.00 0.68 C ATOM 1246 C VAL A 84 -1.517 -5.000 -0.808 1.00 0.68 C ATOM 1247 O VAL A 84 -2.453 -4.786 -0.032 1.00 0.74 O ATOM 1248 CB VAL A 84 -1.790 -4.096 -3.145 1.00 0.66 C ATOM 1249 CG1 VAL A 84 -1.628 -4.449 -4.629 1.00 0.69 C ATOM 1250 CG2 VAL A 84 -3.069 -3.261 -2.969 1.00 0.68 C ATOM 0 H VAL A 84 -3.785 -5.798 -1.864 1.00 0.71 H new ATOM 0 HA VAL A 84 -0.962 -6.007 -2.603 1.00 0.68 H new ATOM 0 HB VAL A 84 -0.944 -3.496 -2.810 1.00 0.66 H new ATOM 0 HG11 VAL A 84 -1.640 -3.536 -5.224 1.00 0.69 H new ATOM 0 HG12 VAL A 84 -0.681 -4.967 -4.778 1.00 0.69 H new ATOM 0 HG13 VAL A 84 -2.448 -5.096 -4.941 1.00 0.69 H new ATOM 0 HG21 VAL A 84 -3.020 -2.381 -3.611 1.00 0.68 H new ATOM 0 HG22 VAL A 84 -3.936 -3.862 -3.242 1.00 0.68 H new ATOM 0 HG23 VAL A 84 -3.158 -2.947 -1.929 1.00 0.68 H new ATOM 1260 N ILE A 85 -0.236 -4.914 -0.441 1.00 0.68 N ATOM 1261 CA ILE A 85 0.255 -4.554 0.902 1.00 0.72 C ATOM 1262 C ILE A 85 0.984 -3.207 0.928 1.00 0.68 C ATOM 1263 O ILE A 85 1.659 -2.814 -0.029 1.00 0.91 O ATOM 1264 CB ILE A 85 1.128 -5.654 1.567 1.00 0.82 C ATOM 1265 CG1 ILE A 85 1.755 -6.699 0.621 1.00 1.23 C ATOM 1266 CG2 ILE A 85 0.320 -6.402 2.634 1.00 0.84 C ATOM 1267 CD1 ILE A 85 2.753 -6.097 -0.364 1.00 0.82 C ATOM 0 H ILE A 85 0.524 -5.100 -1.096 1.00 0.68 H new ATOM 0 HA ILE A 85 -0.651 -4.460 1.501 1.00 0.72 H new ATOM 0 HB ILE A 85 1.963 -5.095 1.989 1.00 0.82 H new ATOM 0 HG12 ILE A 85 2.257 -7.463 1.215 1.00 1.23 H new ATOM 0 HG13 ILE A 85 0.962 -7.198 0.065 1.00 1.23 H new ATOM 0 HG21 ILE A 85 0.944 -7.170 3.091 1.00 0.84 H new ATOM 0 HG22 ILE A 85 -0.010 -5.699 3.399 1.00 0.84 H new ATOM 0 HG23 ILE A 85 -0.549 -6.869 2.171 1.00 0.84 H new ATOM 0 HD11 ILE A 85 3.157 -6.885 -1.000 1.00 0.82 H new ATOM 0 HD12 ILE A 85 2.250 -5.353 -0.983 1.00 0.82 H new ATOM 0 HD13 ILE A 85 3.566 -5.622 0.186 1.00 0.82 H new ATOM 1279 N ALA A 86 0.873 -2.518 2.066 1.00 0.68 N ATOM 1280 CA ALA A 86 1.490 -1.219 2.290 1.00 0.71 C ATOM 1281 C ALA A 86 3.027 -1.274 2.203 1.00 0.70 C ATOM 1282 O ALA A 86 3.662 -2.249 2.602 1.00 0.70 O ATOM 1283 CB ALA A 86 1.024 -0.675 3.645 1.00 0.90 C ATOM 0 H ALA A 86 0.342 -2.857 2.868 1.00 0.68 H new ATOM 0 HA ALA A 86 1.172 -0.543 1.496 1.00 0.71 H new ATOM 0 HB1 ALA A 86 1.481 0.299 3.823 1.00 0.90 H new ATOM 0 HB2 ALA A 86 -0.061 -0.572 3.642 1.00 0.90 H new ATOM 0 HB3 ALA A 86 1.320 -1.365 4.435 1.00 0.90 H new ATOM 1289 N GLY A 87 3.621 -0.204 1.680 1.00 0.71 N ATOM 1290 CA GLY A 87 5.064 -0.037 1.522 1.00 0.72 C ATOM 1291 C GLY A 87 5.689 -0.734 0.310 1.00 0.66 C ATOM 1292 O GLY A 87 6.878 -0.539 0.062 1.00 0.77 O ATOM 0 H GLY A 87 3.092 0.600 1.342 1.00 0.71 H new ATOM 0 HA2 GLY A 87 5.282 1.029 1.456 1.00 0.72 H new ATOM 0 HA3 GLY A 87 5.554 -0.407 2.422 1.00 0.72 H new ATOM 1296 N SER A 88 4.905 -1.487 -0.471 1.00 0.56 N ATOM 1297 CA SER A 88 5.344 -2.056 -1.752 1.00 0.53 C ATOM 1298 C SER A 88 5.320 -1.008 -2.879 1.00 0.47 C ATOM 1299 O SER A 88 4.708 0.057 -2.732 1.00 0.50 O ATOM 1300 CB SER A 88 4.521 -3.308 -2.091 1.00 0.55 C ATOM 1301 OG SER A 88 3.150 -3.025 -2.295 1.00 1.43 O ATOM 0 H SER A 88 3.942 -1.720 -0.231 1.00 0.56 H new ATOM 0 HA SER A 88 6.384 -2.366 -1.653 1.00 0.53 H new ATOM 0 HB2 SER A 88 4.929 -3.773 -2.989 1.00 0.55 H new ATOM 0 HB3 SER A 88 4.621 -4.033 -1.283 1.00 0.55 H new ATOM 0 HG SER A 88 2.698 -2.953 -1.428 1.00 1.43 H new ATOM 1307 N ILE A 89 6.024 -1.288 -3.985 1.00 0.46 N ATOM 1308 CA ILE A 89 6.262 -0.326 -5.081 1.00 0.46 C ATOM 1309 C ILE A 89 5.667 -0.820 -6.411 1.00 0.42 C ATOM 1310 O ILE A 89 5.853 -1.978 -6.787 1.00 0.47 O ATOM 1311 CB ILE A 89 7.769 -0.008 -5.281 1.00 0.60 C ATOM 1312 CG1 ILE A 89 8.713 -0.261 -4.081 1.00 0.68 C ATOM 1313 CG2 ILE A 89 7.913 1.439 -5.786 1.00 0.74 C ATOM 1314 CD1 ILE A 89 8.510 0.625 -2.848 1.00 0.79 C ATOM 0 H ILE A 89 6.451 -2.199 -4.150 1.00 0.46 H new ATOM 0 HA ILE A 89 5.757 0.592 -4.780 1.00 0.46 H new ATOM 0 HB ILE A 89 8.109 -0.737 -6.016 1.00 0.60 H new ATOM 0 HG12 ILE A 89 8.603 -1.301 -3.775 1.00 0.68 H new ATOM 0 HG13 ILE A 89 9.740 -0.137 -4.424 1.00 0.68 H new ATOM 0 HG21 ILE A 89 8.968 1.671 -5.929 1.00 0.74 H new ATOM 0 HG22 ILE A 89 7.386 1.548 -6.734 1.00 0.74 H new ATOM 0 HG23 ILE A 89 7.487 2.124 -5.053 1.00 0.74 H new ATOM 0 HD11 ILE A 89 9.231 0.349 -2.079 1.00 0.79 H new ATOM 0 HD12 ILE A 89 8.654 1.670 -3.123 1.00 0.79 H new ATOM 0 HD13 ILE A 89 7.499 0.487 -2.464 1.00 0.79 H new ATOM 1326 N ASN A 90 5.005 0.057 -7.162 1.00 0.43 N ATOM 1327 CA ASN A 90 4.355 -0.230 -8.446 1.00 0.48 C ATOM 1328 C ASN A 90 5.308 0.009 -9.645 1.00 0.62 C ATOM 1329 O ASN A 90 6.140 0.918 -9.591 1.00 0.80 O ATOM 1330 CB ASN A 90 3.088 0.644 -8.497 1.00 0.56 C ATOM 1331 CG ASN A 90 2.026 0.120 -9.443 1.00 0.67 C ATOM 1332 OD1 ASN A 90 1.740 -1.062 -9.476 1.00 1.49 O ATOM 1333 ND2 ASN A 90 1.404 0.986 -10.206 1.00 0.42 N ATOM 0 H ASN A 90 4.900 1.032 -6.883 1.00 0.43 H new ATOM 0 HA ASN A 90 4.085 -1.283 -8.524 1.00 0.48 H new ATOM 0 HB2 ASN A 90 2.666 0.716 -7.495 1.00 0.56 H new ATOM 0 HB3 ASN A 90 3.365 1.654 -8.799 1.00 0.56 H new ATOM 0 HD21 ASN A 90 0.668 0.672 -10.839 1.00 0.42 H new ATOM 0 HD22 ASN A 90 1.656 1.974 -10.166 1.00 0.42 H new ATOM 1340 N GLN A 91 5.207 -0.775 -10.729 1.00 0.71 N ATOM 1341 CA GLN A 91 6.080 -0.671 -11.917 1.00 0.89 C ATOM 1342 C GLN A 91 5.455 0.236 -12.997 1.00 1.62 C ATOM 1343 O GLN A 91 5.633 1.453 -12.932 1.00 3.34 O ATOM 1344 CB GLN A 91 6.492 -2.071 -12.419 1.00 1.16 C ATOM 1345 CG GLN A 91 7.479 -2.097 -13.602 1.00 1.75 C ATOM 1346 CD GLN A 91 8.940 -1.980 -13.184 1.00 2.53 C ATOM 1347 OE1 GLN A 91 9.703 -2.941 -13.214 1.00 3.67 O ATOM 1348 NE2 GLN A 91 9.403 -0.823 -12.770 1.00 2.71 N ATOM 0 H GLN A 91 4.507 -1.512 -10.810 1.00 0.71 H new ATOM 0 HA GLN A 91 7.009 -0.175 -11.635 1.00 0.89 H new ATOM 0 HB2 GLN A 91 6.937 -2.618 -11.588 1.00 1.16 H new ATOM 0 HB3 GLN A 91 5.591 -2.611 -12.710 1.00 1.16 H new ATOM 0 HG2 GLN A 91 7.342 -3.025 -14.157 1.00 1.75 H new ATOM 0 HG3 GLN A 91 7.238 -1.280 -14.282 1.00 1.75 H new ATOM 0 HE21 GLN A 91 8.788 -0.010 -12.736 1.00 2.71 H new ATOM 0 HE22 GLN A 91 10.378 -0.737 -12.482 1.00 2.71 H new ATOM 1357 N ASN A 92 4.716 -0.327 -13.961 1.00 0.95 N ATOM 1358 CA ASN A 92 3.909 0.389 -14.959 1.00 1.49 C ATOM 1359 C ASN A 92 2.556 -0.317 -15.104 1.00 1.12 C ATOM 1360 O ASN A 92 2.509 -1.541 -15.266 1.00 2.45 O ATOM 1361 CB ASN A 92 4.658 0.474 -16.296 1.00 2.78 C ATOM 1362 CG ASN A 92 3.981 1.456 -17.239 1.00 3.67 C ATOM 1363 OD1 ASN A 92 4.288 2.640 -17.258 1.00 4.58 O ATOM 1364 ND2 ASN A 92 3.013 1.026 -18.011 1.00 3.71 N ATOM 0 H ASN A 92 4.661 -1.339 -14.072 1.00 0.95 H new ATOM 0 HA ASN A 92 3.732 1.413 -14.630 1.00 1.49 H new ATOM 0 HB2 ASN A 92 5.688 0.784 -16.121 1.00 2.78 H new ATOM 0 HB3 ASN A 92 4.696 -0.512 -16.759 1.00 2.78 H new ATOM 0 HD21 ASN A 92 2.521 1.677 -18.623 1.00 3.71 H new ATOM 0 HD22 ASN A 92 2.752 0.040 -18.000 1.00 3.71 H new ATOM 1371 N GLY A 93 1.459 0.435 -15.059 1.00 0.99 N ATOM 1372 CA GLY A 93 0.107 -0.079 -14.917 1.00 1.13 C ATOM 1373 C GLY A 93 -0.603 0.699 -13.811 1.00 1.08 C ATOM 1374 O GLY A 93 -0.196 0.638 -12.645 1.00 1.85 O ATOM 0 H GLY A 93 1.492 1.452 -15.123 1.00 0.99 H new ATOM 0 HA2 GLY A 93 -0.436 0.022 -15.857 1.00 1.13 H new ATOM 0 HA3 GLY A 93 0.131 -1.142 -14.675 1.00 1.13 H new ATOM 1378 N SER A 94 -1.636 1.454 -14.176 1.00 0.81 N ATOM 1379 CA SER A 94 -2.352 2.356 -13.269 1.00 0.72 C ATOM 1380 C SER A 94 -3.570 1.649 -12.679 1.00 0.69 C ATOM 1381 O SER A 94 -4.492 1.281 -13.415 1.00 0.94 O ATOM 1382 CB SER A 94 -2.773 3.626 -14.007 1.00 1.00 C ATOM 1383 OG SER A 94 -1.675 4.229 -14.673 1.00 1.98 O ATOM 0 H SER A 94 -2.008 1.458 -15.126 1.00 0.81 H new ATOM 0 HA SER A 94 -1.686 2.638 -12.454 1.00 0.72 H new ATOM 0 HB2 SER A 94 -3.552 3.386 -14.731 1.00 1.00 H new ATOM 0 HB3 SER A 94 -3.203 4.334 -13.299 1.00 1.00 H new ATOM 0 HG SER A 94 -1.978 5.038 -15.137 1.00 1.98 H new ATOM 1389 N LEU A 95 -3.570 1.426 -11.367 1.00 0.58 N ATOM 1390 CA LEU A 95 -4.544 0.577 -10.673 1.00 0.55 C ATOM 1391 C LEU A 95 -5.457 1.387 -9.746 1.00 0.52 C ATOM 1392 O LEU A 95 -5.055 2.419 -9.204 1.00 0.50 O ATOM 1393 CB LEU A 95 -3.794 -0.498 -9.865 1.00 0.52 C ATOM 1394 CG LEU A 95 -2.926 -1.504 -10.622 1.00 0.73 C ATOM 1395 CD1 LEU A 95 -2.212 -2.423 -9.627 1.00 0.75 C ATOM 1396 CD2 LEU A 95 -3.773 -2.353 -11.545 1.00 0.98 C ATOM 0 H LEU A 95 -2.879 1.838 -10.740 1.00 0.58 H new ATOM 0 HA LEU A 95 -5.180 0.109 -11.424 1.00 0.55 H new ATOM 0 HB2 LEU A 95 -3.157 0.013 -9.144 1.00 0.52 H new ATOM 0 HB3 LEU A 95 -4.533 -1.060 -9.295 1.00 0.52 H new ATOM 0 HG LEU A 95 -2.197 -0.949 -11.212 1.00 0.73 H new ATOM 0 HD11 LEU A 95 -1.595 -3.138 -10.171 1.00 0.75 H new ATOM 0 HD12 LEU A 95 -1.581 -1.826 -8.968 1.00 0.75 H new ATOM 0 HD13 LEU A 95 -2.951 -2.960 -9.033 1.00 0.75 H new ATOM 0 HD21 LEU A 95 -3.136 -3.062 -12.074 1.00 0.98 H new ATOM 0 HD22 LEU A 95 -4.514 -2.897 -10.960 1.00 0.98 H new ATOM 0 HD23 LEU A 95 -4.279 -1.712 -12.267 1.00 0.98 H new ATOM 1408 N LEU A 96 -6.666 0.875 -9.506 1.00 0.57 N ATOM 1409 CA LEU A 96 -7.628 1.454 -8.562 1.00 0.63 C ATOM 1410 C LEU A 96 -7.866 0.486 -7.392 1.00 0.62 C ATOM 1411 O LEU A 96 -8.243 -0.672 -7.599 1.00 0.67 O ATOM 1412 CB LEU A 96 -8.900 1.843 -9.340 1.00 0.89 C ATOM 1413 CG LEU A 96 -9.803 2.909 -8.699 1.00 1.31 C ATOM 1414 CD1 LEU A 96 -9.062 4.205 -8.388 1.00 2.58 C ATOM 1415 CD2 LEU A 96 -10.939 3.238 -9.666 1.00 1.81 C ATOM 0 H LEU A 96 -7.011 0.034 -9.968 1.00 0.57 H new ATOM 0 HA LEU A 96 -7.245 2.366 -8.105 1.00 0.63 H new ATOM 0 HB2 LEU A 96 -8.600 2.199 -10.326 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -9.494 0.942 -9.494 1.00 0.89 H new ATOM 0 HG LEU A 96 -10.169 2.496 -7.759 1.00 1.31 H new ATOM 0 HD11 LEU A 96 -9.751 4.919 -7.937 1.00 2.58 H new ATOM 0 HD12 LEU A 96 -8.246 4.000 -7.694 1.00 2.58 H new ATOM 0 HD13 LEU A 96 -8.658 4.623 -9.310 1.00 2.58 H new ATOM 0 HD21 LEU A 96 -11.587 3.994 -9.222 1.00 1.81 H new ATOM 0 HD22 LEU A 96 -10.524 3.619 -10.599 1.00 1.81 H new ATOM 0 HD23 LEU A 96 -11.518 2.337 -9.867 1.00 1.81 H new ATOM 1427 N ILE A 97 -7.586 0.953 -6.173 1.00 0.59 N ATOM 1428 CA ILE A 97 -7.526 0.153 -4.943 1.00 0.58 C ATOM 1429 C ILE A 97 -8.650 0.549 -3.974 1.00 0.59 C ATOM 1430 O ILE A 97 -8.776 1.727 -3.639 1.00 0.64 O ATOM 1431 CB ILE A 97 -6.154 0.350 -4.242 1.00 0.61 C ATOM 1432 CG1 ILE A 97 -4.925 0.473 -5.175 1.00 0.83 C ATOM 1433 CG2 ILE A 97 -5.928 -0.747 -3.185 1.00 0.64 C ATOM 1434 CD1 ILE A 97 -4.651 -0.751 -6.047 1.00 1.68 C ATOM 0 H ILE A 97 -7.386 1.939 -6.007 1.00 0.59 H new ATOM 0 HA ILE A 97 -7.651 -0.894 -5.219 1.00 0.58 H new ATOM 0 HB ILE A 97 -6.228 1.329 -3.768 1.00 0.61 H new ATOM 0 HG12 ILE A 97 -5.065 1.338 -5.823 1.00 0.83 H new ATOM 0 HG13 ILE A 97 -4.043 0.671 -4.565 1.00 0.83 H new ATOM 0 HG21 ILE A 97 -4.962 -0.595 -2.703 1.00 0.64 H new ATOM 0 HG22 ILE A 97 -6.719 -0.699 -2.436 1.00 0.64 H new ATOM 0 HG23 ILE A 97 -5.943 -1.725 -3.666 1.00 0.64 H new ATOM 0 HD11 ILE A 97 -3.772 -0.568 -6.664 1.00 1.68 H new ATOM 0 HD12 ILE A 97 -4.474 -1.618 -5.411 1.00 1.68 H new ATOM 0 HD13 ILE A 97 -5.512 -0.941 -6.688 1.00 1.68 H new ATOM 1446 N CYS A 98 -9.431 -0.401 -3.457 1.00 0.59 N ATOM 1447 CA CYS A 98 -10.353 -0.127 -2.351 1.00 0.60 C ATOM 1448 C CYS A 98 -9.623 -0.288 -1.006 1.00 0.63 C ATOM 1449 O CYS A 98 -9.131 -1.371 -0.664 1.00 0.68 O ATOM 1450 CB CYS A 98 -11.657 -0.932 -2.493 1.00 0.68 C ATOM 1451 SG CYS A 98 -11.404 -2.728 -2.564 1.00 1.48 S ATOM 0 H CYS A 98 -9.444 -1.367 -3.785 1.00 0.59 H new ATOM 0 HA CYS A 98 -10.680 0.912 -2.386 1.00 0.60 H new ATOM 0 HB2 CYS A 98 -12.310 -0.699 -1.652 1.00 0.68 H new ATOM 0 HB3 CYS A 98 -12.175 -0.611 -3.397 1.00 0.68 H new ATOM 0 HG CYS A 98 -10.203 -2.980 -2.993 1.00 1.48 H new ATOM 1457 N ALA A 99 -9.510 0.803 -0.241 1.00 0.64 N ATOM 1458 CA ALA A 99 -8.837 0.812 1.051 1.00 0.69 C ATOM 1459 C ALA A 99 -9.818 0.413 2.159 1.00 0.80 C ATOM 1460 O ALA A 99 -10.862 1.045 2.344 1.00 0.93 O ATOM 1461 CB ALA A 99 -8.221 2.196 1.292 1.00 0.70 C ATOM 0 H ALA A 99 -9.889 1.711 -0.509 1.00 0.64 H new ATOM 0 HA ALA A 99 -8.030 0.079 1.059 1.00 0.69 H new ATOM 0 HB1 ALA A 99 -7.716 2.206 2.258 1.00 0.70 H new ATOM 0 HB2 ALA A 99 -7.501 2.416 0.504 1.00 0.70 H new ATOM 0 HB3 ALA A 99 -9.008 2.951 1.285 1.00 0.70 H new ATOM 1467 N THR A 100 -9.479 -0.638 2.907 1.00 0.86 N ATOM 1468 CA THR A 100 -10.301 -1.148 4.021 1.00 1.00 C ATOM 1469 C THR A 100 -9.546 -1.219 5.358 1.00 0.90 C ATOM 1470 O THR A 100 -10.055 -1.746 6.348 1.00 0.91 O ATOM 1471 CB THR A 100 -11.010 -2.446 3.612 1.00 1.42 C ATOM 1472 OG1 THR A 100 -12.082 -2.693 4.489 1.00 3.03 O ATOM 1473 CG2 THR A 100 -10.096 -3.666 3.579 1.00 1.52 C ATOM 0 H THR A 100 -8.620 -1.168 2.761 1.00 0.86 H new ATOM 0 HA THR A 100 -11.084 -0.418 4.224 1.00 1.00 H new ATOM 0 HB THR A 100 -11.362 -2.293 2.592 1.00 1.42 H new ATOM 0 HG1 THR A 100 -11.779 -2.585 5.415 1.00 3.03 H new ATOM 0 HG21 THR A 100 -10.671 -4.543 3.281 1.00 1.52 H new ATOM 0 HG22 THR A 100 -9.292 -3.499 2.863 1.00 1.52 H new ATOM 0 HG23 THR A 100 -9.671 -3.829 4.569 1.00 1.52 H new ATOM 1481 N HIS A 101 -8.350 -0.625 5.430 1.00 0.84 N ATOM 1482 CA HIS A 101 -7.523 -0.570 6.634 1.00 0.83 C ATOM 1483 C HIS A 101 -6.912 0.823 6.815 1.00 0.75 C ATOM 1484 O HIS A 101 -6.469 1.433 5.842 1.00 0.71 O ATOM 1485 CB HIS A 101 -6.394 -1.599 6.517 1.00 1.04 C ATOM 1486 CG HIS A 101 -6.849 -2.989 6.167 1.00 1.40 C ATOM 1487 ND1 HIS A 101 -6.678 -3.595 4.947 1.00 1.72 N ATOM 1488 CD2 HIS A 101 -7.416 -3.909 7.003 1.00 1.65 C ATOM 1489 CE1 HIS A 101 -7.102 -4.861 5.041 1.00 2.03 C ATOM 1490 NE2 HIS A 101 -7.532 -5.111 6.291 1.00 1.99 N ATOM 0 H HIS A 101 -7.922 -0.158 4.631 1.00 0.84 H new ATOM 0 HA HIS A 101 -8.152 -0.791 7.497 1.00 0.83 H new ATOM 0 HB2 HIS A 101 -5.688 -1.260 5.759 1.00 1.04 H new ATOM 0 HB3 HIS A 101 -5.853 -1.635 7.463 1.00 1.04 H new ATOM 0 HD1 HIS A 101 -6.293 -3.155 4.111 1.00 1.72 H new ATOM 0 HD2 HIS A 101 -7.719 -3.741 8.026 1.00 1.65 H new ATOM 0 HE1 HIS A 101 -7.099 -5.577 4.232 1.00 2.03 H new ATOM 1498 N VAL A 102 -6.864 1.300 8.058 1.00 0.88 N ATOM 1499 CA VAL A 102 -6.174 2.540 8.463 1.00 1.00 C ATOM 1500 C VAL A 102 -4.768 2.239 9.024 1.00 1.11 C ATOM 1501 O VAL A 102 -4.418 1.077 9.237 1.00 1.05 O ATOM 1502 CB VAL A 102 -7.114 3.331 9.396 1.00 1.25 C ATOM 1503 CG1 VAL A 102 -7.227 2.703 10.786 1.00 2.76 C ATOM 1504 CG2 VAL A 102 -6.758 4.813 9.519 1.00 1.80 C ATOM 0 H VAL A 102 -7.315 0.826 8.840 1.00 0.88 H new ATOM 0 HA VAL A 102 -5.969 3.184 7.608 1.00 1.00 H new ATOM 0 HB VAL A 102 -8.087 3.273 8.909 1.00 1.25 H new ATOM 0 HG11 VAL A 102 -7.900 3.300 11.401 1.00 2.76 H new ATOM 0 HG12 VAL A 102 -7.619 1.690 10.697 1.00 2.76 H new ATOM 0 HG13 VAL A 102 -6.242 2.671 11.252 1.00 2.76 H new ATOM 0 HG21 VAL A 102 -7.463 5.302 10.191 1.00 1.80 H new ATOM 0 HG22 VAL A 102 -5.748 4.913 9.917 1.00 1.80 H new ATOM 0 HG23 VAL A 102 -6.808 5.282 8.536 1.00 1.80 H new ATOM 1514 N GLY A 103 -3.916 3.244 9.267 1.00 1.35 N ATOM 1515 CA GLY A 103 -2.492 3.040 9.579 1.00 1.51 C ATOM 1516 C GLY A 103 -2.188 2.213 10.836 1.00 1.57 C ATOM 1517 O GLY A 103 -1.159 1.533 10.878 1.00 1.53 O ATOM 0 H GLY A 103 -4.194 4.225 9.253 1.00 1.35 H new ATOM 0 HA2 GLY A 103 -2.020 2.553 8.726 1.00 1.51 H new ATOM 0 HA3 GLY A 103 -2.021 4.017 9.689 1.00 1.51 H new ATOM 1521 N ALA A 104 -3.077 2.201 11.833 1.00 1.79 N ATOM 1522 CA ALA A 104 -2.947 1.359 13.027 1.00 1.93 C ATOM 1523 C ALA A 104 -3.048 -0.157 12.737 1.00 1.66 C ATOM 1524 O ALA A 104 -2.459 -0.956 13.465 1.00 1.70 O ATOM 1525 CB ALA A 104 -4.031 1.785 14.025 1.00 2.44 C ATOM 0 H ALA A 104 -3.916 2.781 11.835 1.00 1.79 H new ATOM 0 HA ALA A 104 -1.947 1.508 13.435 1.00 1.93 H new ATOM 0 HB1 ALA A 104 -3.958 1.174 14.925 1.00 2.44 H new ATOM 0 HB2 ALA A 104 -3.893 2.834 14.287 1.00 2.44 H new ATOM 0 HB3 ALA A 104 -5.014 1.650 13.574 1.00 2.44 H new ATOM 1531 N ASP A 105 -3.761 -0.568 11.685 1.00 1.56 N ATOM 1532 CA ASP A 105 -3.870 -1.971 11.249 1.00 1.65 C ATOM 1533 C ASP A 105 -2.622 -2.512 10.526 1.00 1.46 C ATOM 1534 O ASP A 105 -2.462 -3.730 10.394 1.00 1.79 O ATOM 1535 CB ASP A 105 -5.099 -2.112 10.346 1.00 2.13 C ATOM 1536 CG ASP A 105 -5.368 -3.567 9.955 1.00 2.87 C ATOM 1537 OD1 ASP A 105 -5.885 -4.338 10.798 1.00 2.99 O ATOM 1538 OD2 ASP A 105 -5.072 -3.967 8.808 1.00 4.03 O ATOM 0 H ASP A 105 -4.291 0.075 11.097 1.00 1.56 H new ATOM 0 HA ASP A 105 -3.967 -2.574 12.152 1.00 1.65 H new ATOM 0 HB2 ASP A 105 -5.972 -1.708 10.859 1.00 2.13 H new ATOM 0 HB3 ASP A 105 -4.955 -1.516 9.445 1.00 2.13 H new ATOM 1543 N THR A 106 -1.729 -1.632 10.060 1.00 1.23 N ATOM 1544 CA THR A 106 -0.660 -1.992 9.114 1.00 1.41 C ATOM 1545 C THR A 106 0.338 -3.006 9.673 1.00 1.51 C ATOM 1546 O THR A 106 0.960 -2.779 10.710 1.00 1.55 O ATOM 1547 CB THR A 106 0.061 -0.761 8.535 1.00 1.53 C ATOM 1548 OG1 THR A 106 0.651 0.047 9.536 1.00 2.24 O ATOM 1549 CG2 THR A 106 -0.900 0.105 7.717 1.00 1.36 C ATOM 0 H THR A 106 -1.725 -0.648 10.327 1.00 1.23 H new ATOM 0 HA THR A 106 -1.174 -2.488 8.291 1.00 1.41 H new ATOM 0 HB THR A 106 0.852 -1.154 7.896 1.00 1.53 H new ATOM 0 HG1 THR A 106 -0.033 0.623 9.936 1.00 2.24 H new ATOM 0 HG21 THR A 106 -0.364 0.967 7.320 1.00 1.36 H new ATOM 0 HG22 THR A 106 -1.306 -0.481 6.893 1.00 1.36 H new ATOM 0 HG23 THR A 106 -1.715 0.446 8.355 1.00 1.36 H new ATOM 1557 N THR A 107 0.532 -4.123 8.963 1.00 1.58 N ATOM 1558 CA THR A 107 1.370 -5.245 9.432 1.00 1.60 C ATOM 1559 C THR A 107 2.820 -4.815 9.670 1.00 1.59 C ATOM 1560 O THR A 107 3.419 -5.198 10.668 1.00 1.55 O ATOM 1561 CB THR A 107 1.255 -6.461 8.491 1.00 1.75 C ATOM 1562 OG1 THR A 107 1.965 -7.568 8.992 1.00 2.32 O ATOM 1563 CG2 THR A 107 1.805 -6.252 7.081 1.00 1.93 C ATOM 0 H THR A 107 0.114 -4.280 8.046 1.00 1.58 H new ATOM 0 HA THR A 107 0.987 -5.561 10.402 1.00 1.60 H new ATOM 0 HB THR A 107 0.178 -6.620 8.441 1.00 1.75 H new ATOM 0 HG1 THR A 107 1.872 -8.323 8.374 1.00 2.32 H new ATOM 0 HG21 THR A 107 1.676 -7.166 6.501 1.00 1.93 H new ATOM 0 HG22 THR A 107 1.267 -5.436 6.598 1.00 1.93 H new ATOM 0 HG23 THR A 107 2.865 -6.005 7.137 1.00 1.93 H new ATOM 1571 N LEU A 108 3.350 -3.902 8.848 1.00 1.64 N ATOM 1572 CA LEU A 108 4.695 -3.336 8.993 1.00 1.65 C ATOM 1573 C LEU A 108 4.911 -2.690 10.373 1.00 1.53 C ATOM 1574 O LEU A 108 5.887 -2.994 11.058 1.00 1.52 O ATOM 1575 CB LEU A 108 4.929 -2.277 7.899 1.00 1.77 C ATOM 1576 CG LEU A 108 5.183 -2.781 6.466 1.00 1.33 C ATOM 1577 CD1 LEU A 108 4.054 -3.630 5.890 1.00 1.40 C ATOM 1578 CD2 LEU A 108 5.288 -1.566 5.563 1.00 1.48 C ATOM 0 H LEU A 108 2.844 -3.528 8.045 1.00 1.64 H new ATOM 0 HA LEU A 108 5.406 -4.156 8.893 1.00 1.65 H new ATOM 0 HB2 LEU A 108 4.060 -1.620 7.875 1.00 1.77 H new ATOM 0 HB3 LEU A 108 5.782 -1.667 8.198 1.00 1.77 H new ATOM 0 HG LEU A 108 6.082 -3.396 6.511 1.00 1.33 H new ATOM 0 HD11 LEU A 108 4.314 -3.943 4.879 1.00 1.40 H new ATOM 0 HD12 LEU A 108 3.905 -4.510 6.516 1.00 1.40 H new ATOM 0 HD13 LEU A 108 3.135 -3.044 5.863 1.00 1.40 H new ATOM 0 HD21 LEU A 108 5.468 -1.889 4.538 1.00 1.48 H new ATOM 0 HD22 LEU A 108 4.358 -0.999 5.606 1.00 1.48 H new ATOM 0 HD23 LEU A 108 6.113 -0.936 5.895 1.00 1.48 H new ATOM 1590 N SER A 109 3.987 -1.816 10.790 1.00 1.50 N ATOM 1591 CA SER A 109 4.040 -1.166 12.106 1.00 1.48 C ATOM 1592 C SER A 109 3.742 -2.147 13.243 1.00 1.41 C ATOM 1593 O SER A 109 4.269 -1.993 14.343 1.00 1.43 O ATOM 1594 CB SER A 109 3.101 0.047 12.170 1.00 1.57 C ATOM 1595 OG SER A 109 1.738 -0.326 12.071 1.00 1.70 O ATOM 0 H SER A 109 3.183 -1.540 10.226 1.00 1.50 H new ATOM 0 HA SER A 109 5.061 -0.810 12.241 1.00 1.48 H new ATOM 0 HB2 SER A 109 3.263 0.581 13.107 1.00 1.57 H new ATOM 0 HB3 SER A 109 3.347 0.737 11.363 1.00 1.57 H new ATOM 0 HG SER A 109 1.426 -0.183 11.153 1.00 1.70 H new ATOM 1601 N GLN A 110 2.951 -3.191 12.980 1.00 1.37 N ATOM 1602 CA GLN A 110 2.635 -4.213 13.984 1.00 1.36 C ATOM 1603 C GLN A 110 3.857 -5.091 14.302 1.00 1.37 C ATOM 1604 O GLN A 110 4.158 -5.323 15.471 1.00 1.45 O ATOM 1605 CB GLN A 110 1.427 -5.042 13.519 1.00 1.38 C ATOM 1606 CG GLN A 110 0.899 -6.005 14.590 1.00 1.49 C ATOM 1607 CD GLN A 110 0.319 -5.243 15.766 1.00 1.77 C ATOM 1608 OE1 GLN A 110 0.830 -5.250 16.881 1.00 1.88 O ATOM 1609 NE2 GLN A 110 -0.758 -4.531 15.555 1.00 2.01 N ATOM 0 H GLN A 110 2.514 -3.352 12.072 1.00 1.37 H new ATOM 0 HA GLN A 110 2.367 -3.718 14.917 1.00 1.36 H new ATOM 0 HB2 GLN A 110 0.625 -4.366 13.222 1.00 1.38 H new ATOM 0 HB3 GLN A 110 1.707 -5.613 12.634 1.00 1.38 H new ATOM 0 HG2 GLN A 110 0.135 -6.652 14.158 1.00 1.49 H new ATOM 0 HG3 GLN A 110 1.707 -6.651 14.933 1.00 1.49 H new ATOM 0 HE21 GLN A 110 -1.189 -4.520 14.631 1.00 2.01 H new ATOM 0 HE22 GLN A 110 -1.167 -3.987 16.315 1.00 2.01 H new ATOM 1618 N ILE A 111 4.608 -5.510 13.278 1.00 1.37 N ATOM 1619 CA ILE A 111 5.804 -6.363 13.397 1.00 1.42 C ATOM 1620 C ILE A 111 6.821 -5.746 14.364 1.00 1.42 C ATOM 1621 O ILE A 111 7.245 -6.406 15.316 1.00 1.47 O ATOM 1622 CB ILE A 111 6.401 -6.619 11.989 1.00 1.50 C ATOM 1623 CG1 ILE A 111 5.491 -7.590 11.199 1.00 1.58 C ATOM 1624 CG2 ILE A 111 7.835 -7.184 12.042 1.00 1.59 C ATOM 1625 CD1 ILE A 111 5.721 -7.549 9.682 1.00 1.66 C ATOM 0 H ILE A 111 4.397 -5.259 12.312 1.00 1.37 H new ATOM 0 HA ILE A 111 5.524 -7.328 13.820 1.00 1.42 H new ATOM 0 HB ILE A 111 6.451 -5.653 11.486 1.00 1.50 H new ATOM 0 HG12 ILE A 111 5.660 -8.606 11.557 1.00 1.58 H new ATOM 0 HG13 ILE A 111 4.449 -7.348 11.407 1.00 1.58 H new ATOM 0 HG21 ILE A 111 8.201 -7.343 11.028 1.00 1.59 H new ATOM 0 HG22 ILE A 111 8.486 -6.477 12.556 1.00 1.59 H new ATOM 0 HG23 ILE A 111 7.833 -8.132 12.580 1.00 1.59 H new ATOM 0 HD11 ILE A 111 5.049 -8.255 9.193 1.00 1.66 H new ATOM 0 HD12 ILE A 111 5.523 -6.543 9.311 1.00 1.66 H new ATOM 0 HD13 ILE A 111 6.754 -7.820 9.463 1.00 1.66 H new ATOM 1637 N VAL A 112 7.170 -4.468 14.168 1.00 1.39 N ATOM 1638 CA VAL A 112 8.151 -3.761 15.015 1.00 1.40 C ATOM 1639 C VAL A 112 7.649 -3.474 16.430 1.00 1.40 C ATOM 1640 O VAL A 112 8.462 -3.356 17.348 1.00 1.46 O ATOM 1641 CB VAL A 112 8.658 -2.463 14.358 1.00 1.44 C ATOM 1642 CG1 VAL A 112 9.318 -2.770 13.013 1.00 1.51 C ATOM 1643 CG2 VAL A 112 7.565 -1.415 14.121 1.00 1.48 C ATOM 0 H VAL A 112 6.783 -3.892 13.420 1.00 1.39 H new ATOM 0 HA VAL A 112 8.986 -4.455 15.109 1.00 1.40 H new ATOM 0 HB VAL A 112 9.371 -2.043 15.068 1.00 1.44 H new ATOM 0 HG11 VAL A 112 9.671 -1.843 12.561 1.00 1.51 H new ATOM 0 HG12 VAL A 112 10.161 -3.443 13.167 1.00 1.51 H new ATOM 0 HG13 VAL A 112 8.592 -3.243 12.351 1.00 1.51 H new ATOM 0 HG21 VAL A 112 8.003 -0.532 13.656 1.00 1.48 H new ATOM 0 HG22 VAL A 112 6.800 -1.829 13.465 1.00 1.48 H new ATOM 0 HG23 VAL A 112 7.114 -1.138 15.074 1.00 1.48 H new ATOM 1653 N LYS A 113 6.329 -3.382 16.639 1.00 1.42 N ATOM 1654 CA LYS A 113 5.721 -3.328 17.980 1.00 1.54 C ATOM 1655 C LYS A 113 5.758 -4.684 18.689 1.00 1.58 C ATOM 1656 O LYS A 113 5.975 -4.734 19.898 1.00 1.70 O ATOM 1657 CB LYS A 113 4.304 -2.747 17.899 1.00 1.74 C ATOM 1658 CG LYS A 113 4.362 -1.232 17.631 1.00 1.93 C ATOM 1659 CD LYS A 113 2.981 -0.567 17.645 1.00 2.31 C ATOM 1660 CE LYS A 113 2.083 -1.192 16.580 1.00 2.70 C ATOM 1661 NZ LYS A 113 0.804 -0.469 16.420 1.00 3.14 N ATOM 0 H LYS A 113 5.648 -3.343 15.881 1.00 1.42 H new ATOM 0 HA LYS A 113 6.321 -2.658 18.596 1.00 1.54 H new ATOM 0 HB2 LYS A 113 3.745 -3.242 17.105 1.00 1.74 H new ATOM 0 HB3 LYS A 113 3.771 -2.938 18.831 1.00 1.74 H new ATOM 0 HG2 LYS A 113 4.994 -0.760 18.383 1.00 1.93 H new ATOM 0 HG3 LYS A 113 4.833 -1.058 16.664 1.00 1.93 H new ATOM 0 HD2 LYS A 113 2.525 -0.681 18.628 1.00 2.31 H new ATOM 0 HD3 LYS A 113 3.083 0.503 17.463 1.00 2.31 H new ATOM 0 HE2 LYS A 113 2.611 -1.204 15.626 1.00 2.70 H new ATOM 0 HE3 LYS A 113 1.879 -2.229 16.845 1.00 2.70 H new ATOM 0 HZ1 LYS A 113 0.232 -0.933 15.686 1.00 3.14 H new ATOM 0 HZ2 LYS A 113 0.285 -0.479 17.321 1.00 3.14 H new ATOM 0 HZ3 LYS A 113 0.994 0.515 16.140 1.00 3.14 H new ATOM 1675 N LEU A 114 5.578 -5.789 17.966 1.00 1.56 N ATOM 1676 CA LEU A 114 5.638 -7.148 18.526 1.00 1.75 C ATOM 1677 C LEU A 114 7.068 -7.537 18.954 1.00 1.87 C ATOM 1678 O LEU A 114 7.249 -8.225 19.961 1.00 2.02 O ATOM 1679 CB LEU A 114 5.034 -8.138 17.503 1.00 1.76 C ATOM 1680 CG LEU A 114 3.918 -9.024 18.067 1.00 2.13 C ATOM 1681 CD1 LEU A 114 3.312 -9.881 16.959 1.00 2.19 C ATOM 1682 CD2 LEU A 114 4.411 -9.956 19.169 1.00 2.54 C ATOM 0 H LEU A 114 5.384 -5.771 16.965 1.00 1.56 H new ATOM 0 HA LEU A 114 5.045 -7.186 19.440 1.00 1.75 H new ATOM 0 HB2 LEU A 114 4.642 -7.574 16.657 1.00 1.76 H new ATOM 0 HB3 LEU A 114 5.830 -8.776 17.119 1.00 1.76 H new ATOM 0 HG LEU A 114 3.174 -8.348 18.489 1.00 2.13 H new ATOM 0 HD11 LEU A 114 2.521 -10.505 17.374 1.00 2.19 H new ATOM 0 HD12 LEU A 114 2.897 -9.235 16.185 1.00 2.19 H new ATOM 0 HD13 LEU A 114 4.085 -10.515 16.526 1.00 2.19 H new ATOM 0 HD21 LEU A 114 3.580 -10.561 19.533 1.00 2.54 H new ATOM 0 HD22 LEU A 114 5.189 -10.609 18.773 1.00 2.54 H new ATOM 0 HD23 LEU A 114 4.817 -9.366 19.990 1.00 2.54 H new ATOM 1694 N VAL A 115 8.077 -7.041 18.228 1.00 1.92 N ATOM 1695 CA VAL A 115 9.505 -7.155 18.581 1.00 2.21 C ATOM 1696 C VAL A 115 9.874 -6.275 19.776 1.00 2.36 C ATOM 1697 O VAL A 115 10.356 -6.787 20.785 1.00 2.87 O ATOM 1698 CB VAL A 115 10.398 -6.861 17.355 1.00 2.27 C ATOM 1699 CG1 VAL A 115 11.885 -6.719 17.712 1.00 2.78 C ATOM 1700 CG2 VAL A 115 10.266 -7.980 16.315 1.00 2.32 C ATOM 0 H VAL A 115 7.923 -6.535 17.356 1.00 1.92 H new ATOM 0 HA VAL A 115 9.687 -8.185 18.888 1.00 2.21 H new ATOM 0 HB VAL A 115 10.048 -5.909 16.955 1.00 2.27 H new ATOM 0 HG11 VAL A 115 12.458 -6.513 16.808 1.00 2.78 H new ATOM 0 HG12 VAL A 115 12.013 -5.898 18.417 1.00 2.78 H new ATOM 0 HG13 VAL A 115 12.241 -7.645 18.164 1.00 2.78 H new ATOM 0 HG21 VAL A 115 10.902 -7.757 15.458 1.00 2.32 H new ATOM 0 HG22 VAL A 115 10.574 -8.927 16.758 1.00 2.32 H new ATOM 0 HG23 VAL A 115 9.229 -8.053 15.988 1.00 2.32 H new ATOM 1710 N GLU A 116 9.682 -4.956 19.691 1.00 2.05 N ATOM 1711 CA GLU A 116 10.205 -4.053 20.729 1.00 2.18 C ATOM 1712 C GLU A 116 9.516 -4.188 22.099 1.00 2.75 C ATOM 1713 O GLU A 116 10.157 -3.925 23.115 1.00 3.07 O ATOM 1714 CB GLU A 116 10.178 -2.600 20.242 1.00 2.15 C ATOM 1715 CG GLU A 116 11.378 -2.242 19.363 1.00 2.41 C ATOM 1716 CD GLU A 116 11.523 -0.719 19.273 1.00 3.59 C ATOM 1717 OE1 GLU A 116 10.659 -0.053 18.649 1.00 4.39 O ATOM 1718 OE2 GLU A 116 12.489 -0.181 19.865 1.00 4.46 O ATOM 0 H GLU A 116 9.180 -4.494 18.933 1.00 2.05 H new ATOM 0 HA GLU A 116 11.236 -4.363 20.896 1.00 2.18 H new ATOM 0 HB2 GLU A 116 9.259 -2.428 19.681 1.00 2.15 H new ATOM 0 HB3 GLU A 116 10.155 -1.934 21.104 1.00 2.15 H new ATOM 0 HG2 GLU A 116 12.287 -2.679 19.778 1.00 2.41 H new ATOM 0 HG3 GLU A 116 11.248 -2.663 18.366 1.00 2.41 H new ATOM 1725 N GLU A 117 8.264 -4.654 22.185 1.00 3.01 N ATOM 1726 CA GLU A 117 7.655 -4.991 23.482 1.00 3.67 C ATOM 1727 C GLU A 117 8.206 -6.280 24.133 1.00 4.02 C ATOM 1728 O GLU A 117 7.964 -6.491 25.325 1.00 4.59 O ATOM 1729 CB GLU A 117 6.122 -4.987 23.396 1.00 4.02 C ATOM 1730 CG GLU A 117 5.588 -3.585 23.066 1.00 4.08 C ATOM 1731 CD GLU A 117 4.138 -3.414 23.521 1.00 4.49 C ATOM 1732 OE1 GLU A 117 3.208 -3.844 22.800 1.00 4.65 O ATOM 1733 OE2 GLU A 117 3.888 -2.838 24.606 1.00 5.27 O ATOM 0 H GLU A 117 7.656 -4.806 21.381 1.00 3.01 H new ATOM 0 HA GLU A 117 7.956 -4.195 24.163 1.00 3.67 H new ATOM 0 HB2 GLU A 117 5.796 -5.692 22.632 1.00 4.02 H new ATOM 0 HB3 GLU A 117 5.701 -5.326 24.343 1.00 4.02 H new ATOM 0 HG2 GLU A 117 6.213 -2.834 23.549 1.00 4.08 H new ATOM 0 HG3 GLU A 117 5.656 -3.413 21.992 1.00 4.08 H new ATOM 1740 N ALA A 118 8.966 -7.113 23.404 1.00 3.86 N ATOM 1741 CA ALA A 118 9.690 -8.243 23.997 1.00 4.43 C ATOM 1742 C ALA A 118 10.873 -7.752 24.855 1.00 4.85 C ATOM 1743 O ALA A 118 10.996 -8.146 26.018 1.00 5.68 O ATOM 1744 CB ALA A 118 10.109 -9.241 22.911 1.00 4.33 C ATOM 0 H ALA A 118 9.094 -7.022 22.396 1.00 3.86 H new ATOM 0 HA ALA A 118 9.023 -8.776 24.674 1.00 4.43 H new ATOM 0 HB1 ALA A 118 10.645 -10.073 23.368 1.00 4.33 H new ATOM 0 HB2 ALA A 118 9.222 -9.617 22.401 1.00 4.33 H new ATOM 0 HB3 ALA A 118 10.758 -8.743 22.191 1.00 4.33 H new ATOM 1750 N GLN A 119 11.695 -6.850 24.299 1.00 4.38 N ATOM 1751 CA GLN A 119 12.816 -6.166 24.967 1.00 4.73 C ATOM 1752 C GLN A 119 12.403 -5.443 26.253 1.00 5.21 C ATOM 1753 O GLN A 119 13.026 -5.684 27.312 1.00 5.63 O ATOM 1754 CB GLN A 119 13.473 -5.177 23.980 1.00 4.30 C ATOM 1755 CG GLN A 119 14.422 -5.800 22.951 1.00 4.16 C ATOM 1756 CD GLN A 119 13.716 -6.108 21.656 1.00 3.91 C ATOM 1757 OE1 GLN A 119 13.687 -5.330 20.711 1.00 4.42 O ATOM 1758 NE2 GLN A 119 13.080 -7.248 21.577 1.00 3.81 N ATOM 0 H GLN A 119 11.593 -6.563 23.326 1.00 4.38 H new ATOM 0 HA GLN A 119 13.531 -6.932 25.266 1.00 4.73 H new ATOM 0 HB2 GLN A 119 12.684 -4.647 23.446 1.00 4.30 H new ATOM 0 HB3 GLN A 119 14.026 -4.433 24.553 1.00 4.30 H new ATOM 0 HG2 GLN A 119 15.251 -5.118 22.760 1.00 4.16 H new ATOM 0 HG3 GLN A 119 14.850 -6.716 23.359 1.00 4.16 H new ATOM 0 HE21 GLN A 119 13.101 -7.899 22.362 1.00 3.81 H new ATOM 0 HE22 GLN A 119 12.563 -7.486 20.731 1.00 3.81 H new TER 1767 GLN A 119