USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 933 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= -0.171 (180deg=-0.761) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0184) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 150:sc= -0.63 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.8!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 43 GLN :FLIP amide:sc= -3.13! C(o=-3.9!,f=-3.1!) USER MOD Single : A 44 ASN : amide:sc= -0.617 K(o=-0.62,f=-7.4!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.789 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.039) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.05 K(o=-1.1,f=-2) USER MOD Single : A 84 HIS : no HD1:sc= -0.448 K(o=-0.45,f=-1.7) USER MOD Single : A 87 TYR OH : rot 150:sc= -3.21! USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=-4.84e-07) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.697 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 109 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.38) USER MOD Single : A 115 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 116 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.811 -2.898 -4.355 1.00 74.53 N ATOM 41 CA GLU A 4 -2.842 -2.624 -5.349 1.00 44.43 C ATOM 42 C GLU A 4 -3.530 -3.913 -5.788 1.00 72.00 C ATOM 43 O GLU A 4 -4.706 -3.910 -6.155 1.00 41.22 O ATOM 44 CB GLU A 4 -2.238 -1.917 -6.563 1.00 55.41 C ATOM 45 CG GLU A 4 -2.123 -0.411 -6.398 1.00 51.52 C ATOM 46 CD GLU A 4 -1.027 0.190 -7.255 1.00 0.52 C ATOM 47 OE1 GLU A 4 0.136 0.214 -6.801 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -1.333 0.634 -8.381 1.00 44.14 O ATOM 0 HA GLU A 4 -3.586 -1.972 -4.892 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -1.248 -2.329 -6.757 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -2.850 -2.132 -7.439 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -3.075 0.052 -6.656 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -1.929 -0.178 -5.351 1.00 51.52 H new ATOM 55 N LEU A 5 -2.788 -5.016 -5.749 1.00 43.24 N ATOM 56 CA LEU A 5 -3.325 -6.313 -6.143 1.00 13.32 C ATOM 57 C LEU A 5 -4.598 -6.634 -5.366 1.00 63.44 C ATOM 58 O LEU A 5 -5.528 -7.240 -5.901 1.00 51.25 O ATOM 59 CB LEU A 5 -2.283 -7.409 -5.913 1.00 63.32 C ATOM 60 CG LEU A 5 -2.093 -7.862 -4.464 1.00 2.52 C ATOM 61 CD1 LEU A 5 -3.009 -9.032 -4.147 1.00 32.23 C ATOM 62 CD2 LEU A 5 -0.640 -8.232 -4.208 1.00 74.41 C ATOM 0 H LEU A 5 -1.813 -5.037 -5.449 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.570 -6.270 -7.204 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.560 -8.277 -6.511 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.324 -7.055 -6.291 1.00 63.32 H new ATOM 0 HG LEU A 5 -2.356 -7.034 -3.806 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -2.860 -9.341 -3.112 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -4.047 -8.731 -4.290 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -2.778 -9.865 -4.811 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -0.523 -8.552 -3.173 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.349 -9.044 -4.874 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -0.006 -7.365 -4.394 1.00 74.41 H new ATOM 74 N LEU A 6 -4.635 -6.223 -4.104 1.00 10.52 N ATOM 75 CA LEU A 6 -5.795 -6.465 -3.253 1.00 13.21 C ATOM 76 C LEU A 6 -7.076 -5.993 -3.933 1.00 51.12 C ATOM 77 O LEU A 6 -8.089 -6.693 -3.926 1.00 73.12 O ATOM 78 CB LEU A 6 -5.624 -5.752 -1.910 1.00 44.03 C ATOM 79 CG LEU A 6 -4.464 -6.232 -1.038 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.166 -5.221 0.057 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.777 -7.596 -0.438 1.00 22.10 C ATOM 0 H LEU A 6 -3.875 -5.720 -3.647 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.871 -7.539 -3.080 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.492 -4.687 -2.101 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.548 -5.862 -1.343 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.578 -6.328 -1.665 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.337 -5.580 0.668 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.898 -4.265 -0.393 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.049 -5.092 0.683 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.940 -7.922 0.180 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.675 -7.526 0.175 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.940 -8.317 -1.239 1.00 22.10 H new ATOM 93 N ASP A 7 -7.023 -4.803 -4.522 1.00 4.52 N ATOM 94 CA ASP A 7 -8.179 -4.238 -5.210 1.00 25.12 C ATOM 95 C ASP A 7 -8.590 -5.114 -6.390 1.00 33.21 C ATOM 96 O ASP A 7 -9.770 -5.203 -6.728 1.00 24.02 O ATOM 97 CB ASP A 7 -7.870 -2.821 -5.694 1.00 34.32 C ATOM 98 CG ASP A 7 -9.093 -1.926 -5.683 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.365 -1.306 -4.632 1.00 34.22 O ATOM 100 OD2 ASP A 7 -9.777 -1.843 -6.725 1.00 22.32 O1- ATOM 0 H ASP A 7 -6.192 -4.211 -4.537 1.00 4.52 H new ATOM 0 HA ASP A 7 -9.008 -4.199 -4.503 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.098 -2.384 -5.061 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.465 -2.866 -6.705 1.00 34.32 H new ATOM 105 N ALA A 8 -7.608 -5.757 -7.013 1.00 74.43 N ATOM 106 CA ALA A 8 -7.867 -6.626 -8.154 1.00 44.45 C ATOM 107 C ALA A 8 -8.900 -7.694 -7.808 1.00 72.11 C ATOM 108 O ALA A 8 -9.877 -7.886 -8.533 1.00 71.43 O ATOM 109 CB ALA A 8 -6.575 -7.273 -8.629 1.00 72.11 C ATOM 0 H ALA A 8 -6.626 -5.692 -6.747 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.272 -6.014 -8.960 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.784 -7.919 -9.482 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.868 -6.498 -8.925 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.146 -7.866 -7.821 1.00 72.11 H new ATOM 115 N LEU A 9 -8.677 -8.388 -6.697 1.00 65.10 N ATOM 116 CA LEU A 9 -9.588 -9.437 -6.255 1.00 30.43 C ATOM 117 C LEU A 9 -11.006 -8.898 -6.099 1.00 2.51 C ATOM 118 O LEU A 9 -11.965 -9.487 -6.599 1.00 14.11 O ATOM 119 CB LEU A 9 -9.108 -10.031 -4.930 1.00 54.45 C ATOM 120 CG LEU A 9 -7.639 -10.453 -4.876 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.053 -10.172 -3.501 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.492 -11.925 -5.229 1.00 32.24 C ATOM 0 H LEU A 9 -7.873 -8.243 -6.086 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.598 -10.218 -7.015 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.284 -9.299 -4.142 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.724 -10.901 -4.701 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.087 -9.868 -5.611 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.007 -10.479 -3.482 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.122 -9.105 -3.287 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.609 -10.730 -2.748 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.440 -12.206 -5.185 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.059 -12.528 -4.519 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.872 -12.097 -6.236 1.00 32.24 H new ATOM 134 N THR A 10 -11.133 -7.772 -5.403 1.00 42.42 N ATOM 135 CA THR A 10 -12.433 -7.152 -5.183 1.00 45.22 C ATOM 136 C THR A 10 -13.187 -6.973 -6.495 1.00 33.22 C ATOM 137 O THR A 10 -14.378 -7.273 -6.583 1.00 71.53 O ATOM 138 CB THR A 10 -12.292 -5.781 -4.493 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.626 -5.932 -3.235 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.655 -5.141 -4.278 1.00 62.04 C ATOM 0 H THR A 10 -10.350 -7.271 -4.982 1.00 42.42 H new ATOM 0 HA THR A 10 -12.996 -7.822 -4.533 1.00 45.22 H new ATOM 0 HB THR A 10 -11.702 -5.132 -5.140 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.539 -5.056 -2.804 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.530 -4.175 -3.790 1.00 62.04 H new ATOM 0 HG22 THR A 10 -14.147 -5.000 -5.241 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.266 -5.789 -3.650 1.00 62.04 H new ATOM 148 N ILE A 11 -12.486 -6.483 -7.512 1.00 32.10 N ATOM 149 CA ILE A 11 -13.090 -6.266 -8.821 1.00 21.23 C ATOM 150 C ILE A 11 -13.754 -7.538 -9.338 1.00 62.33 C ATOM 151 O ILE A 11 -14.790 -7.485 -10.002 1.00 65.32 O ATOM 152 CB ILE A 11 -12.047 -5.790 -9.850 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.410 -4.476 -9.392 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.691 -5.624 -11.219 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.984 -4.300 -9.865 1.00 14.01 C ATOM 0 H ILE A 11 -11.500 -6.229 -7.455 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.845 -5.490 -8.695 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.264 -6.544 -9.928 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -12.011 -3.643 -9.757 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.431 -4.431 -8.303 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -11.942 -5.287 -11.935 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -13.102 -6.579 -11.546 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.491 -4.887 -11.158 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.596 -3.348 -9.504 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.369 -5.113 -9.478 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.958 -4.313 -10.955 1.00 14.01 H new ATOM 167 N LEU A 12 -13.152 -8.681 -9.028 1.00 75.15 N ATOM 168 CA LEU A 12 -13.684 -9.968 -9.459 1.00 35.45 C ATOM 169 C LEU A 12 -14.936 -10.332 -8.666 1.00 52.41 C ATOM 170 O LEU A 12 -15.808 -11.046 -9.160 1.00 23.30 O ATOM 171 CB LEU A 12 -12.627 -11.061 -9.296 1.00 52.11 C ATOM 172 CG LEU A 12 -11.209 -10.694 -9.739 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.274 -11.881 -9.566 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.208 -10.218 -11.183 1.00 60.44 C ATOM 0 H LEU A 12 -12.294 -8.742 -8.479 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.953 -9.888 -10.512 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.594 -11.353 -8.246 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.948 -11.936 -9.861 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.851 -9.879 -9.110 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.270 -11.603 -9.886 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.252 -12.177 -8.517 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.629 -12.715 -10.171 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -10.191 -9.961 -11.481 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.586 -11.011 -11.828 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.846 -9.339 -11.277 1.00 60.44 H new ATOM 186 N GLU A 13 -15.016 -9.835 -7.436 1.00 2.20 N ATOM 187 CA GLU A 13 -16.161 -10.108 -6.575 1.00 73.44 C ATOM 188 C GLU A 13 -17.408 -9.391 -7.086 1.00 24.32 C ATOM 189 O GLU A 13 -18.526 -9.889 -6.945 1.00 32.15 O ATOM 190 CB GLU A 13 -15.863 -9.674 -5.139 1.00 53.14 C ATOM 191 CG GLU A 13 -17.006 -9.938 -4.174 1.00 32.32 C ATOM 192 CD GLU A 13 -17.128 -11.403 -3.800 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.337 -12.215 -4.324 1.00 5.24 O ATOM 194 OE2 GLU A 13 -18.013 -11.737 -2.986 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.302 -9.242 -7.013 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.347 -11.182 -6.591 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.974 -10.197 -4.787 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -15.631 -8.609 -5.131 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -16.857 -9.347 -3.270 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -17.941 -9.603 -4.623 1.00 32.32 H new ATOM 201 N LYS A 14 -17.209 -8.220 -7.681 1.00 41.41 N ATOM 202 CA LYS A 14 -18.315 -7.434 -8.214 1.00 53.15 C ATOM 203 C LYS A 14 -19.187 -8.279 -9.138 1.00 32.03 C ATOM 204 O LYS A 14 -20.390 -8.047 -9.252 1.00 33.02 O ATOM 205 CB LYS A 14 -17.782 -6.215 -8.972 1.00 52.04 C ATOM 206 CG LYS A 14 -16.886 -5.321 -8.132 1.00 23.23 C ATOM 207 CD LYS A 14 -17.673 -4.607 -7.045 1.00 74.34 C ATOM 208 CE LYS A 14 -16.960 -3.346 -6.579 1.00 0.54 C ATOM 209 NZ LYS A 14 -16.815 -2.352 -7.678 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.291 -7.794 -7.806 1.00 41.41 H new ATOM 0 HA LYS A 14 -18.925 -7.096 -7.376 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.226 -6.555 -9.845 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -18.624 -5.629 -9.339 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -16.096 -5.919 -7.678 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -16.400 -4.586 -8.773 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -18.663 -4.349 -7.421 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -17.818 -5.278 -6.199 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -17.516 -2.898 -5.755 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -15.975 -3.608 -6.194 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -16.732 -1.397 -7.274 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -15.962 -2.569 -8.232 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -17.650 -2.394 -8.297 1.00 44.11 H new ATOM 223 N GLU A 15 -18.571 -9.258 -9.794 1.00 31.13 N ATOM 224 CA GLU A 15 -19.294 -10.137 -10.706 1.00 10.21 C ATOM 225 C GLU A 15 -20.390 -10.902 -9.971 1.00 74.31 C ATOM 226 O GLU A 15 -20.665 -10.644 -8.799 1.00 23.34 O ATOM 227 CB GLU A 15 -18.329 -11.120 -11.373 1.00 45.25 C ATOM 228 CG GLU A 15 -17.164 -10.445 -12.078 1.00 55.15 C ATOM 229 CD GLU A 15 -17.608 -9.326 -13.000 1.00 24.20 C ATOM 230 OE1 GLU A 15 -18.722 -9.420 -13.554 1.00 50.25 O1- ATOM 231 OE2 GLU A 15 -16.840 -8.355 -13.165 1.00 1.53 O ATOM 0 H GLU A 15 -17.575 -9.462 -9.711 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.760 -9.519 -11.473 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.940 -11.803 -10.618 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -18.879 -11.723 -12.095 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.476 -10.045 -11.333 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -16.613 -11.188 -12.654 1.00 55.15 H new ATOM 238 N LYS A 16 -21.012 -11.848 -10.667 1.00 54.02 N ATOM 239 CA LYS A 16 -22.078 -12.653 -10.083 1.00 15.32 C ATOM 240 C LYS A 16 -21.771 -14.141 -10.216 1.00 60.10 C ATOM 241 O LYS A 16 -21.397 -14.613 -11.289 1.00 20.10 O ATOM 242 CB LYS A 16 -23.415 -12.334 -10.757 1.00 20.41 C ATOM 243 CG LYS A 16 -23.515 -12.849 -12.182 1.00 32.52 C ATOM 244 CD LYS A 16 -24.255 -14.174 -12.246 1.00 20.11 C ATOM 245 CE LYS A 16 -23.779 -15.023 -13.415 1.00 73.12 C ATOM 246 NZ LYS A 16 -24.520 -14.708 -14.667 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.796 -12.076 -11.637 1.00 54.02 H new ATOM 0 HA LYS A 16 -22.146 -12.407 -9.023 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -24.223 -12.766 -10.166 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.563 -11.254 -10.758 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -24.030 -12.114 -12.800 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -22.514 -12.970 -12.597 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -24.107 -14.720 -11.314 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -25.325 -13.990 -12.341 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -22.713 -14.859 -13.573 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -23.907 -16.078 -13.173 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -24.166 -15.307 -15.440 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.534 -14.889 -14.525 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -24.378 -13.707 -14.912 1.00 30.23 H new ATOM 260 N GLY A 17 -21.933 -14.875 -9.119 1.00 53.14 N ATOM 261 CA GLY A 17 -21.671 -16.302 -9.136 1.00 1.24 C ATOM 262 C GLY A 17 -20.190 -16.621 -9.061 1.00 24.31 C ATOM 263 O GLY A 17 -19.792 -17.780 -9.164 1.00 30.33 O ATOM 0 H GLY A 17 -22.241 -14.507 -8.219 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -22.184 -16.772 -8.297 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -22.087 -16.734 -10.046 1.00 1.24 H new ATOM 267 N ILE A 18 -19.374 -15.588 -8.882 1.00 51.44 N ATOM 268 CA ILE A 18 -17.929 -15.763 -8.794 1.00 32.50 C ATOM 269 C ILE A 18 -17.432 -15.519 -7.373 1.00 3.32 C ATOM 270 O ILE A 18 -17.955 -14.663 -6.660 1.00 25.41 O ATOM 271 CB ILE A 18 -17.187 -14.816 -9.755 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.801 -14.890 -11.154 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.706 -15.162 -9.803 1.00 34.32 C ATOM 274 CD1 ILE A 18 -17.130 -13.978 -12.158 1.00 3.12 C ATOM 0 H ILE A 18 -19.688 -14.622 -8.795 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.718 -16.794 -9.079 1.00 32.50 H new ATOM 0 HB ILE A 18 -17.290 -13.796 -9.386 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.743 -15.917 -11.513 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.858 -14.633 -11.092 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.196 -14.483 -10.487 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -15.277 -15.063 -8.806 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -15.583 -16.188 -10.151 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.617 -14.083 -13.127 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.211 -12.944 -11.821 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -16.078 -14.249 -12.249 1.00 3.12 H new ATOM 286 N SER A 19 -16.417 -16.276 -6.969 1.00 72.20 N ATOM 287 CA SER A 19 -15.849 -16.145 -5.633 1.00 5.03 C ATOM 288 C SER A 19 -14.357 -15.836 -5.704 1.00 10.11 C ATOM 289 O SER A 19 -13.573 -16.623 -6.234 1.00 55.41 O ATOM 290 CB SER A 19 -16.078 -17.427 -4.829 1.00 70.31 C ATOM 291 OG SER A 19 -17.342 -17.409 -4.189 1.00 12.11 O ATOM 0 H SER A 19 -15.971 -16.987 -7.549 1.00 72.20 H new ATOM 0 HA SER A 19 -16.351 -15.317 -5.133 1.00 5.03 H new ATOM 0 HB2 SER A 19 -16.014 -18.291 -5.490 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.291 -17.538 -4.083 1.00 70.31 H new ATOM 0 HG SER A 19 -17.465 -18.240 -3.684 1.00 12.11 H new ATOM 297 N LYS A 20 -13.972 -14.683 -5.167 1.00 21.45 N ATOM 298 CA LYS A 20 -12.574 -14.268 -5.167 1.00 74.43 C ATOM 299 C LYS A 20 -11.746 -15.142 -4.231 1.00 44.01 C ATOM 300 O LYS A 20 -10.524 -15.211 -4.352 1.00 62.25 O ATOM 301 CB LYS A 20 -12.457 -12.800 -4.749 1.00 25.14 C ATOM 302 CG LYS A 20 -13.039 -12.512 -3.375 1.00 31.04 C ATOM 303 CD LYS A 20 -12.232 -11.456 -2.639 1.00 45.33 C ATOM 304 CE LYS A 20 -12.564 -10.056 -3.131 1.00 73.32 C ATOM 305 NZ LYS A 20 -13.710 -9.464 -2.388 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.609 -14.019 -4.726 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.187 -14.384 -6.179 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.406 -12.511 -4.757 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -12.964 -12.179 -5.487 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -14.071 -12.176 -3.479 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -13.060 -13.430 -2.788 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -12.432 -11.524 -1.570 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -11.168 -11.648 -2.777 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.689 -9.415 -3.020 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -12.800 -10.091 -4.195 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -14.185 -8.758 -2.987 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -14.385 -10.214 -2.136 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -13.362 -9.005 -1.522 1.00 24.23 H new ATOM 319 N GLU A 21 -12.421 -15.809 -3.300 1.00 64.52 N ATOM 320 CA GLU A 21 -11.747 -16.679 -2.345 1.00 11.33 C ATOM 321 C GLU A 21 -10.874 -17.705 -3.065 1.00 34.03 C ATOM 322 O GLU A 21 -9.787 -18.045 -2.599 1.00 42.53 O ATOM 323 CB GLU A 21 -12.770 -17.395 -1.461 1.00 34.13 C ATOM 324 CG GLU A 21 -13.508 -16.467 -0.510 1.00 74.01 C ATOM 325 CD GLU A 21 -14.081 -17.197 0.689 1.00 20.11 C ATOM 326 OE1 GLU A 21 -13.342 -17.382 1.679 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.267 -17.582 0.638 1.00 12.41 O ATOM 0 H GLU A 21 -13.434 -15.763 -3.187 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.107 -16.059 -1.717 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -13.496 -17.902 -2.097 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.261 -18.165 -0.882 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.827 -15.689 -0.166 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.315 -15.969 -1.047 1.00 74.01 H new ATOM 334 N ILE A 22 -11.361 -18.192 -4.201 1.00 11.12 N ATOM 335 CA ILE A 22 -10.627 -19.178 -4.985 1.00 52.11 C ATOM 336 C ILE A 22 -9.511 -18.519 -5.790 1.00 5.14 C ATOM 337 O ILE A 22 -8.520 -19.161 -6.136 1.00 62.02 O ATOM 338 CB ILE A 22 -11.557 -19.938 -5.947 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.671 -20.639 -5.166 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.765 -20.945 -6.767 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.919 -19.798 -5.007 1.00 40.42 C ATOM 0 H ILE A 22 -12.260 -17.920 -4.599 1.00 11.12 H new ATOM 0 HA ILE A 22 -10.194 -19.885 -4.277 1.00 52.11 H new ATOM 0 HB ILE A 22 -12.012 -19.221 -6.630 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.931 -21.568 -5.674 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.297 -20.910 -4.179 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.438 -21.474 -7.442 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -10.004 -20.423 -7.348 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -10.285 -21.660 -6.099 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.666 -20.358 -4.444 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.674 -18.881 -4.472 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -14.318 -19.549 -5.990 1.00 40.42 H new ATOM 353 N ILE A 23 -9.680 -17.234 -6.082 1.00 13.43 N ATOM 354 CA ILE A 23 -8.686 -16.488 -6.844 1.00 72.34 C ATOM 355 C ILE A 23 -7.363 -16.403 -6.088 1.00 55.40 C ATOM 356 O ILE A 23 -6.291 -16.559 -6.673 1.00 31.34 O ATOM 357 CB ILE A 23 -9.173 -15.063 -7.163 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.472 -15.113 -7.972 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.101 -14.291 -7.918 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.301 -15.717 -9.349 1.00 34.01 C ATOM 0 H ILE A 23 -10.495 -16.688 -5.803 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.535 -17.029 -7.778 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.371 -14.545 -6.225 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.213 -15.691 -7.420 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.867 -14.102 -8.073 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.462 -13.286 -8.136 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.200 -14.229 -7.308 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.873 -14.805 -8.852 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.260 -15.721 -9.866 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.584 -15.126 -9.919 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.935 -16.740 -9.255 1.00 34.01 H new ATOM 372 N ILE A 24 -7.449 -16.157 -4.785 1.00 51.31 N ATOM 373 CA ILE A 24 -6.260 -16.056 -3.948 1.00 74.21 C ATOM 374 C ILE A 24 -5.366 -17.280 -4.112 1.00 44.54 C ATOM 375 O ILE A 24 -4.140 -17.172 -4.098 1.00 32.23 O ATOM 376 CB ILE A 24 -6.629 -15.899 -2.461 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.393 -14.591 -2.239 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.377 -15.940 -1.597 1.00 1.24 C ATOM 379 CD1 ILE A 24 -8.875 -14.791 -2.008 1.00 31.23 C ATOM 0 H ILE A 24 -8.329 -16.024 -4.287 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.719 -15.168 -4.275 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.274 -16.729 -2.172 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -6.966 -14.071 -1.381 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.252 -13.945 -3.106 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -5.654 -15.828 -0.549 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -4.869 -16.894 -1.738 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -4.710 -15.128 -1.885 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.354 -13.823 -1.858 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.315 -15.283 -2.875 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.025 -15.411 -1.124 1.00 31.23 H new ATOM 391 N GLU A 25 -5.988 -18.444 -4.269 1.00 72.53 N ATOM 392 CA GLU A 25 -5.249 -19.689 -4.437 1.00 43.13 C ATOM 393 C GLU A 25 -4.457 -19.680 -5.741 1.00 2.50 C ATOM 394 O GLU A 25 -3.411 -20.320 -5.849 1.00 34.42 O ATOM 395 CB GLU A 25 -6.205 -20.884 -4.416 1.00 73.04 C ATOM 396 CG GLU A 25 -7.151 -20.884 -3.228 1.00 44.41 C ATOM 397 CD GLU A 25 -8.093 -22.074 -3.232 1.00 73.01 C ATOM 398 OE1 GLU A 25 -7.643 -23.188 -2.891 1.00 21.12 O1- ATOM 399 OE2 GLU A 25 -9.278 -21.890 -3.577 1.00 32.20 O ATOM 0 H GLU A 25 -7.002 -18.551 -4.283 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.548 -19.780 -3.607 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.790 -20.887 -5.336 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.622 -21.805 -4.406 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.570 -20.888 -2.306 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.735 -19.963 -3.233 1.00 44.41 H new ATOM 406 N ALA A 26 -4.964 -18.950 -6.729 1.00 1.41 N ATOM 407 CA ALA A 26 -4.304 -18.856 -8.026 1.00 44.13 C ATOM 408 C ALA A 26 -3.006 -18.062 -7.925 1.00 13.13 C ATOM 409 O ALA A 26 -1.959 -18.503 -8.399 1.00 24.00 O ATOM 410 CB ALA A 26 -5.236 -18.221 -9.047 1.00 14.40 C ATOM 0 H ALA A 26 -5.829 -18.415 -6.656 1.00 1.41 H new ATOM 0 HA ALA A 26 -4.057 -19.865 -8.355 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.731 -18.157 -10.011 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.134 -18.830 -9.148 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.512 -17.220 -8.715 1.00 14.40 H new ATOM 416 N ILE A 27 -3.083 -16.889 -7.305 1.00 44.10 N ATOM 417 CA ILE A 27 -1.913 -16.034 -7.143 1.00 13.45 C ATOM 418 C ILE A 27 -0.785 -16.774 -6.433 1.00 13.44 C ATOM 419 O ILE A 27 0.362 -16.749 -6.875 1.00 54.42 O ATOM 420 CB ILE A 27 -2.254 -14.759 -6.349 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.273 -13.912 -7.116 1.00 25.54 C ATOM 422 CG2 ILE A 27 -0.992 -13.955 -6.071 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.701 -14.144 -6.680 1.00 74.33 C ATOM 0 H ILE A 27 -3.942 -16.509 -6.907 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.586 -15.753 -8.144 1.00 13.45 H new ATOM 0 HB ILE A 27 -2.694 -15.049 -5.395 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -3.029 -12.858 -6.986 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.187 -14.130 -8.180 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.249 -13.057 -5.509 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.296 -14.560 -5.490 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.526 -13.672 -7.015 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.368 -13.511 -7.266 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -4.964 -15.190 -6.836 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -4.803 -13.898 -5.623 1.00 74.33 H new ATOM 435 N GLU A 28 -1.121 -17.435 -5.329 1.00 54.21 N ATOM 436 CA GLU A 28 -0.136 -18.184 -4.558 1.00 54.51 C ATOM 437 C GLU A 28 0.602 -19.184 -5.444 1.00 43.41 C ATOM 438 O GLU A 28 1.827 -19.142 -5.559 1.00 43.02 O ATOM 439 CB GLU A 28 -0.813 -18.916 -3.398 1.00 64.12 C ATOM 440 CG GLU A 28 -1.541 -17.992 -2.436 1.00 40.22 C ATOM 441 CD GLU A 28 -2.527 -18.730 -1.551 1.00 51.43 C ATOM 442 OE1 GLU A 28 -2.081 -19.421 -0.612 1.00 75.44 O1- ATOM 443 OE2 GLU A 28 -3.746 -18.615 -1.799 1.00 63.03 O ATOM 0 H GLU A 28 -2.067 -17.467 -4.949 1.00 54.21 H new ATOM 0 HA GLU A 28 0.589 -17.476 -4.157 1.00 54.51 H new ATOM 0 HB2 GLU A 28 -1.522 -19.639 -3.801 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.061 -19.480 -2.847 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -0.812 -17.477 -1.810 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -2.070 -17.227 -3.004 1.00 40.22 H new ATOM 450 N ALA A 29 -0.153 -20.084 -6.067 1.00 30.04 N ATOM 451 CA ALA A 29 0.428 -21.094 -6.942 1.00 12.54 C ATOM 452 C ALA A 29 1.317 -20.454 -8.004 1.00 13.03 C ATOM 453 O ALA A 29 2.289 -21.057 -8.458 1.00 61.31 O ATOM 454 CB ALA A 29 -0.669 -21.919 -7.598 1.00 31.13 C ATOM 0 H ALA A 29 -1.168 -20.134 -5.981 1.00 30.04 H new ATOM 0 HA ALA A 29 1.048 -21.752 -6.334 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.220 -22.669 -8.249 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.262 -22.414 -6.829 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.312 -21.266 -8.187 1.00 31.13 H new ATOM 460 N ALA A 30 0.977 -19.230 -8.395 1.00 53.23 N ATOM 461 CA ALA A 30 1.745 -18.509 -9.402 1.00 23.45 C ATOM 462 C ALA A 30 3.086 -18.047 -8.843 1.00 61.02 C ATOM 463 O ALA A 30 4.132 -18.257 -9.458 1.00 51.44 O ATOM 464 CB ALA A 30 0.950 -17.319 -9.920 1.00 32.41 C ATOM 0 H ALA A 30 0.175 -18.717 -8.029 1.00 53.23 H new ATOM 0 HA ALA A 30 1.941 -19.190 -10.230 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.536 -16.790 -10.671 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.019 -17.670 -10.366 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.725 -16.644 -9.094 1.00 32.41 H new ATOM 470 N LEU A 31 3.049 -17.416 -7.674 1.00 5.35 N ATOM 471 CA LEU A 31 4.263 -16.924 -7.031 1.00 1.23 C ATOM 472 C LEU A 31 5.250 -18.060 -6.789 1.00 21.11 C ATOM 473 O LEU A 31 6.419 -17.972 -7.165 1.00 34.51 O ATOM 474 CB LEU A 31 3.920 -16.238 -5.708 1.00 45.33 C ATOM 475 CG LEU A 31 3.580 -14.750 -5.790 1.00 33.31 C ATOM 476 CD1 LEU A 31 4.728 -13.974 -6.415 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.297 -14.540 -6.583 1.00 43.31 C ATOM 0 H LEU A 31 2.192 -17.233 -7.152 1.00 5.35 H new ATOM 0 HA LEU A 31 4.730 -16.199 -7.698 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.074 -16.759 -5.261 1.00 45.33 H new ATOM 0 HB3 LEU A 31 4.764 -16.360 -5.029 1.00 45.33 H new ATOM 0 HG LEU A 31 3.424 -14.376 -4.778 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.468 -12.917 -6.465 1.00 53.12 H new ATOM 0 HD12 LEU A 31 5.625 -14.099 -5.808 1.00 53.12 H new ATOM 0 HD13 LEU A 31 4.916 -14.349 -7.421 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.070 -13.475 -6.632 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.425 -14.930 -7.593 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.477 -15.064 -6.093 1.00 43.31 H new ATOM 489 N ILE A 32 4.771 -19.129 -6.160 1.00 24.45 N ATOM 490 CA ILE A 32 5.611 -20.284 -5.870 1.00 71.03 C ATOM 491 C ILE A 32 6.219 -20.855 -7.146 1.00 24.23 C ATOM 492 O ILE A 32 7.392 -21.230 -7.173 1.00 63.05 O ATOM 493 CB ILE A 32 4.817 -21.392 -5.153 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.705 -22.614 -4.916 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.588 -21.773 -5.965 1.00 41.15 C ATOM 496 CD1 ILE A 32 5.315 -23.416 -3.693 1.00 4.22 C ATOM 0 H ILE A 32 3.806 -19.218 -5.842 1.00 24.45 H new ATOM 0 HA ILE A 32 6.409 -19.937 -5.213 1.00 71.03 H new ATOM 0 HB ILE A 32 4.486 -21.014 -4.186 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.662 -23.260 -5.793 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.739 -22.287 -4.811 1.00 22.33 H new ATOM 0 HG21 ILE A 32 3.037 -22.557 -5.445 1.00 41.15 H new ATOM 0 HG22 ILE A 32 2.947 -20.900 -6.087 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.898 -22.136 -6.945 1.00 41.15 H new ATOM 0 HD11 ILE A 32 5.987 -24.267 -3.587 1.00 4.22 H new ATOM 0 HD12 ILE A 32 5.385 -22.785 -2.807 1.00 4.22 H new ATOM 0 HD13 ILE A 32 4.291 -23.774 -3.804 1.00 4.22 H new ATOM 508 N SER A 33 5.415 -20.917 -8.203 1.00 23.51 N ATOM 509 CA SER A 33 5.874 -21.444 -9.483 1.00 62.33 C ATOM 510 C SER A 33 7.010 -20.595 -10.044 1.00 1.44 C ATOM 511 O SER A 33 8.030 -21.120 -10.491 1.00 2.10 O ATOM 512 CB SER A 33 4.717 -21.493 -10.482 1.00 3.21 C ATOM 513 OG SER A 33 5.163 -21.918 -11.758 1.00 24.42 O ATOM 0 H SER A 33 4.443 -20.609 -8.198 1.00 23.51 H new ATOM 0 HA SER A 33 6.247 -22.455 -9.319 1.00 62.33 H new ATOM 0 HB2 SER A 33 3.946 -22.172 -10.118 1.00 3.21 H new ATOM 0 HB3 SER A 33 4.260 -20.507 -10.563 1.00 3.21 H new ATOM 0 HG SER A 33 4.405 -21.942 -12.378 1.00 24.42 H new ATOM 519 N ALA A 34 6.826 -19.279 -10.018 1.00 22.53 N ATOM 520 CA ALA A 34 7.835 -18.356 -10.522 1.00 1.34 C ATOM 521 C ALA A 34 9.165 -18.550 -9.802 1.00 52.14 C ATOM 522 O ALA A 34 10.205 -18.727 -10.436 1.00 62.24 O ATOM 523 CB ALA A 34 7.357 -16.919 -10.373 1.00 23.24 C ATOM 0 H ALA A 34 5.987 -18.828 -9.653 1.00 22.53 H new ATOM 0 HA ALA A 34 7.990 -18.568 -11.580 1.00 1.34 H new ATOM 0 HB1 ALA A 34 8.120 -16.240 -10.753 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.435 -16.782 -10.938 1.00 23.24 H new ATOM 0 HB3 ALA A 34 7.173 -16.704 -9.320 1.00 23.24 H new ATOM 529 N TYR A 35 9.125 -18.514 -8.475 1.00 60.44 N ATOM 530 CA TYR A 35 10.328 -18.683 -7.669 1.00 42.44 C ATOM 531 C TYR A 35 10.881 -20.099 -7.806 1.00 40.45 C ATOM 532 O TYR A 35 12.087 -20.321 -7.698 1.00 13.24 O ATOM 533 CB TYR A 35 10.030 -18.381 -6.200 1.00 14.41 C ATOM 534 CG TYR A 35 11.144 -18.785 -5.260 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.191 -20.063 -4.717 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.147 -17.887 -4.915 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.207 -20.435 -3.857 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.168 -18.253 -4.058 1.00 13.02 C ATOM 539 CZ TYR A 35 13.192 -19.527 -3.531 1.00 1.20 C ATOM 540 OH TYR A 35 14.206 -19.895 -2.677 1.00 72.42 O ATOM 0 H TYR A 35 8.272 -18.369 -7.934 1.00 60.44 H new ATOM 0 HA TYR A 35 11.079 -17.982 -8.032 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.841 -17.313 -6.088 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.116 -18.898 -5.910 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.421 -20.777 -4.971 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.128 -16.887 -5.323 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.229 -21.432 -3.442 1.00 4.45 H new ATOM 0 HE2 TYR A 35 13.943 -17.545 -3.803 1.00 13.02 H new ATOM 0 HH TYR A 35 15.019 -19.397 -2.901 1.00 72.42 H new ATOM 550 N LYS A 36 9.990 -21.054 -8.045 1.00 5.13 N ATOM 551 CA LYS A 36 10.386 -22.450 -8.200 1.00 11.15 C ATOM 552 C LYS A 36 11.200 -22.646 -9.474 1.00 32.14 C ATOM 553 O LYS A 36 12.102 -23.482 -9.523 1.00 62.43 O ATOM 554 CB LYS A 36 9.150 -23.352 -8.227 1.00 64.34 C ATOM 555 CG LYS A 36 8.782 -23.921 -6.867 1.00 20.30 C ATOM 556 CD LYS A 36 7.891 -25.145 -6.998 1.00 1.42 C ATOM 557 CE LYS A 36 7.491 -25.691 -5.636 1.00 45.53 C ATOM 558 NZ LYS A 36 7.462 -27.179 -5.621 1.00 21.13 N1+ ATOM 0 H LYS A 36 8.988 -20.888 -8.136 1.00 5.13 H new ATOM 0 HA LYS A 36 11.008 -22.722 -7.347 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.304 -22.784 -8.615 1.00 64.34 H new ATOM 0 HB3 LYS A 36 9.326 -24.175 -8.920 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.690 -24.187 -6.325 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.271 -23.159 -6.279 1.00 20.30 H new ATOM 0 HD2 LYS A 36 6.996 -24.886 -7.565 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.413 -25.918 -7.562 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.192 -25.334 -4.882 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.508 -25.306 -5.365 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.185 -27.511 -4.675 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.774 -27.520 -6.323 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.406 -27.547 -5.854 1.00 21.13 H new ATOM 572 N ARG A 37 10.877 -21.870 -10.504 1.00 74.25 N ATOM 573 CA ARG A 37 11.578 -21.958 -11.778 1.00 53.51 C ATOM 574 C ARG A 37 13.080 -21.762 -11.586 1.00 13.30 C ATOM 575 O ARG A 37 13.883 -22.202 -12.408 1.00 74.35 O ATOM 576 CB ARG A 37 11.037 -20.915 -12.757 1.00 25.33 C ATOM 577 CG ARG A 37 9.720 -21.313 -13.403 1.00 1.44 C ATOM 578 CD ARG A 37 8.768 -20.131 -13.498 1.00 4.13 C ATOM 579 NE ARG A 37 8.308 -19.906 -14.866 1.00 22.22 N ATOM 580 CZ ARG A 37 7.370 -19.024 -15.191 1.00 71.43 C ATOM 581 NH1 ARG A 37 6.793 -18.288 -14.251 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 7.005 -18.877 -16.458 1.00 43.33 N ATOM 0 H ARG A 37 10.133 -21.173 -10.480 1.00 74.25 H new ATOM 0 HA ARG A 37 11.408 -22.953 -12.189 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.903 -19.970 -12.231 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.778 -20.743 -13.538 1.00 25.33 H new ATOM 0 HG2 ARG A 37 9.908 -21.711 -14.400 1.00 1.44 H new ATOM 0 HG3 ARG A 37 9.255 -22.111 -12.823 1.00 1.44 H new ATOM 0 HD2 ARG A 37 7.908 -20.305 -12.851 1.00 4.13 H new ATOM 0 HD3 ARG A 37 9.267 -19.234 -13.131 1.00 4.13 H new ATOM 0 HE ARG A 37 8.731 -20.457 -15.613 1.00 22.22 H new ATOM 0 HH11 ARG A 37 7.069 -18.399 -13.275 1.00 64.15 H new ATOM 0 HH12 ARG A 37 6.073 -17.611 -14.504 1.00 64.15 H new ATOM 0 HH21 ARG A 37 7.445 -19.442 -17.184 1.00 43.33 H new ATOM 0 HH22 ARG A 37 6.284 -18.199 -16.706 1.00 43.33 H new ATOM 596 N ASN A 38 13.450 -21.096 -10.498 1.00 64.14 N ATOM 597 CA ASN A 38 14.855 -20.840 -10.199 1.00 2.44 C ATOM 598 C ASN A 38 15.504 -22.059 -9.553 1.00 62.25 C ATOM 599 O ASN A 38 16.605 -22.462 -9.929 1.00 62.41 O ATOM 600 CB ASN A 38 14.988 -19.627 -9.275 1.00 14.03 C ATOM 601 CG ASN A 38 14.835 -18.314 -10.020 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.818 -17.719 -10.459 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.596 -17.857 -10.163 1.00 43.51 N ATOM 0 H ASN A 38 12.797 -20.724 -9.808 1.00 64.14 H new ATOM 0 HA ASN A 38 15.369 -20.632 -11.137 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.234 -19.687 -8.490 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.961 -19.652 -8.784 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.430 -16.978 -10.654 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.811 -18.385 -9.782 1.00 43.51 H new ATOM 610 N PHE A 39 14.816 -22.643 -8.577 1.00 74.50 N ATOM 611 CA PHE A 39 15.326 -23.816 -7.877 1.00 13.22 C ATOM 612 C PHE A 39 14.226 -24.856 -7.686 1.00 13.23 C ATOM 613 O PHE A 39 13.760 -25.084 -6.570 1.00 12.23 O ATOM 614 CB PHE A 39 15.906 -23.415 -6.520 1.00 22.33 C ATOM 615 CG PHE A 39 17.133 -22.555 -6.623 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.320 -23.073 -7.118 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.100 -21.227 -6.227 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.450 -22.283 -7.212 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.227 -20.432 -6.320 1.00 73.20 C ATOM 620 CZ PHE A 39 19.404 -20.962 -6.815 1.00 41.30 C ATOM 0 H PHE A 39 13.903 -22.323 -8.253 1.00 74.50 H new ATOM 0 HA PHE A 39 16.116 -24.256 -8.485 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.144 -22.881 -5.952 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.150 -24.316 -5.957 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.362 -24.105 -7.434 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.182 -20.808 -5.841 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.369 -22.699 -7.596 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.188 -19.399 -6.007 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.286 -20.343 -6.891 1.00 41.30 H new ATOM 630 N ASN A 40 13.815 -25.483 -8.783 1.00 5.11 N ATOM 631 CA ASN A 40 12.768 -26.498 -8.737 1.00 31.44 C ATOM 632 C ASN A 40 13.312 -27.815 -8.192 1.00 13.21 C ATOM 633 O ASN A 40 12.818 -28.335 -7.192 1.00 10.21 O ATOM 634 CB ASN A 40 12.177 -26.715 -10.131 1.00 21.11 C ATOM 635 CG ASN A 40 10.950 -27.605 -10.107 1.00 35.33 C ATOM 636 OD1 ASN A 40 10.982 -28.712 -9.570 1.00 34.12 O ATOM 637 ND2 ASN A 40 9.858 -27.123 -10.690 1.00 33.42 N ATOM 0 H ASN A 40 14.191 -25.306 -9.715 1.00 5.11 H new ATOM 0 HA ASN A 40 11.983 -26.145 -8.068 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.914 -25.750 -10.565 1.00 21.11 H new ATOM 0 HB3 ASN A 40 12.933 -27.160 -10.778 1.00 21.11 H new ATOM 0 HD21 ASN A 40 9.001 -27.676 -10.704 1.00 33.42 H new ATOM 0 HD22 ASN A 40 9.876 -26.200 -11.123 1.00 33.42 H new ATOM 644 N GLN A 41 14.332 -28.348 -8.856 1.00 42.41 N ATOM 645 CA GLN A 41 14.943 -29.605 -8.438 1.00 32.21 C ATOM 646 C GLN A 41 16.067 -29.358 -7.439 1.00 10.23 C ATOM 647 O GLN A 41 16.827 -30.267 -7.106 1.00 2.54 O ATOM 648 CB GLN A 41 15.481 -30.363 -9.653 1.00 24.30 C ATOM 649 CG GLN A 41 16.574 -29.617 -10.401 1.00 23.03 C ATOM 650 CD GLN A 41 17.671 -30.536 -10.902 1.00 60.23 C ATOM 651 OE1 GLN A 41 17.402 -31.634 -11.388 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.916 -30.090 -10.785 1.00 53.52 N ATOM 0 H GLN A 41 14.753 -27.930 -9.685 1.00 42.41 H new ATOM 0 HA GLN A 41 14.177 -30.209 -7.952 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.869 -31.328 -9.326 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.658 -30.566 -10.338 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.134 -29.088 -11.247 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.009 -28.863 -9.745 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.093 -29.173 -10.376 1.00 53.52 H new ATOM 0 HE22 GLN A 41 19.696 -30.665 -11.105 1.00 53.52 H new ATOM 661 N ALA A 42 16.169 -28.120 -6.964 1.00 53.10 N ATOM 662 CA ALA A 42 17.200 -27.754 -6.000 1.00 45.11 C ATOM 663 C ALA A 42 16.671 -27.833 -4.573 1.00 30.22 C ATOM 664 O ALA A 42 17.389 -28.234 -3.657 1.00 53.42 O ATOM 665 CB ALA A 42 17.723 -26.356 -6.294 1.00 52.01 C ATOM 0 H ALA A 42 15.550 -27.354 -7.231 1.00 53.10 H new ATOM 0 HA ALA A 42 18.020 -28.465 -6.095 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.492 -26.095 -5.567 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.148 -26.330 -7.297 1.00 52.01 H new ATOM 0 HB3 ALA A 42 16.904 -25.640 -6.229 1.00 52.01 H new ATOM 671 N GLN A 43 15.412 -27.449 -4.391 1.00 44.33 N ATOM 672 CA GLN A 43 14.788 -27.476 -3.074 1.00 63.21 C ATOM 673 C GLN A 43 13.329 -27.037 -3.152 1.00 62.24 C ATOM 674 O GLN A 43 12.964 -26.214 -3.990 1.00 74.55 O ATOM 675 CB GLN A 43 15.554 -26.573 -2.105 1.00 72.12 C ATOM 676 CG GLN A 43 14.865 -26.400 -0.760 1.00 43.55 C ATOM 677 CD GLN A 43 15.713 -25.637 0.236 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.090 -25.171 1.311 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 16.917 -25.466 0.042 1.00 50.05 N flip ATOM 0 H GLN A 43 14.804 -27.115 -5.139 1.00 44.33 H new ATOM 0 HA GLN A 43 14.820 -28.502 -2.706 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.549 -26.989 -1.943 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.688 -25.593 -2.564 1.00 72.12 H new ATOM 0 HG2 GLN A 43 13.921 -25.875 -0.905 1.00 43.55 H new ATOM 0 HG3 GLN A 43 14.625 -27.381 -0.350 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.357 -25.841 -0.798 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.475 -24.949 0.722 1.00 50.05 H new ATOM 688 N ASN A 44 12.501 -27.593 -2.275 1.00 61.24 N ATOM 689 CA ASN A 44 11.081 -27.259 -2.245 1.00 5.03 C ATOM 690 C ASN A 44 10.869 -25.833 -1.747 1.00 45.14 C ATOM 691 O ASN A 44 11.825 -25.119 -1.445 1.00 15.42 O ATOM 692 CB ASN A 44 10.323 -28.242 -1.352 1.00 2.54 C ATOM 693 CG ASN A 44 10.815 -28.219 0.082 1.00 33.50 C ATOM 694 OD1 ASN A 44 10.906 -27.158 0.701 1.00 53.44 O ATOM 695 ND2 ASN A 44 11.135 -29.390 0.617 1.00 2.43 N ATOM 0 H ASN A 44 12.788 -28.277 -1.575 1.00 61.24 H new ATOM 0 HA ASN A 44 10.694 -27.331 -3.262 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.260 -28.002 -1.372 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.430 -29.250 -1.754 1.00 2.54 H new ATOM 0 HD21 ASN A 44 11.472 -29.436 1.579 1.00 2.43 H new ATOM 0 HD22 ASN A 44 11.044 -30.244 0.067 1.00 2.43 H new ATOM 702 N VAL A 45 9.606 -25.424 -1.662 1.00 44.30 N ATOM 703 CA VAL A 45 9.266 -24.084 -1.198 1.00 71.11 C ATOM 704 C VAL A 45 7.757 -23.918 -1.058 1.00 24.13 C ATOM 705 O VAL A 45 6.981 -24.646 -1.678 1.00 24.45 O ATOM 706 CB VAL A 45 9.804 -23.005 -2.157 1.00 60.41 C ATOM 707 CG1 VAL A 45 9.011 -23.001 -3.455 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.765 -21.637 -1.493 1.00 21.34 C ATOM 0 H VAL A 45 8.802 -26.002 -1.908 1.00 44.30 H new ATOM 0 HA VAL A 45 9.734 -23.958 -0.222 1.00 71.11 H new ATOM 0 HB VAL A 45 10.842 -23.238 -2.395 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.405 -22.233 -4.120 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.096 -23.975 -3.936 1.00 23.33 H new ATOM 0 HG13 VAL A 45 7.963 -22.792 -3.240 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.148 -20.886 -2.184 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.737 -21.392 -1.225 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.381 -21.651 -0.594 1.00 21.34 H new ATOM 718 N ARG A 46 7.347 -22.953 -0.240 1.00 33.25 N ATOM 719 CA ARG A 46 5.931 -22.692 -0.019 1.00 13.25 C ATOM 720 C ARG A 46 5.662 -21.192 0.068 1.00 35.22 C ATOM 721 O ARG A 46 6.405 -20.454 0.717 1.00 45.34 O ATOM 722 CB ARG A 46 5.457 -23.380 1.263 1.00 60.23 C ATOM 723 CG ARG A 46 6.001 -24.789 1.434 1.00 34.50 C ATOM 724 CD ARG A 46 5.354 -25.497 2.613 1.00 54.54 C ATOM 725 NE ARG A 46 5.481 -24.730 3.849 1.00 74.02 N ATOM 726 CZ ARG A 46 4.567 -23.865 4.275 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.465 -23.658 3.567 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 4.754 -23.205 5.411 1.00 42.44 N ATOM 0 H ARG A 46 7.976 -22.340 0.280 1.00 33.25 H new ATOM 0 HA ARG A 46 5.377 -23.096 -0.866 1.00 13.25 H new ATOM 0 HB2 ARG A 46 5.756 -22.777 2.121 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.368 -23.417 1.264 1.00 60.23 H new ATOM 0 HG2 ARG A 46 5.824 -25.361 0.523 1.00 34.50 H new ATOM 0 HG3 ARG A 46 7.080 -24.748 1.581 1.00 34.50 H new ATOM 0 HD2 ARG A 46 4.299 -25.667 2.399 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.815 -26.476 2.745 1.00 54.54 H new ATOM 0 HE ARG A 46 6.318 -24.866 4.417 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.318 -24.163 2.693 1.00 53.11 H new ATOM 0 HH12 ARG A 46 2.765 -22.993 3.896 1.00 53.11 H new ATOM 0 HH21 ARG A 46 5.600 -23.361 5.958 1.00 42.44 H new ATOM 0 HH22 ARG A 46 4.051 -22.541 5.737 1.00 42.44 H new ATOM 742 N VAL A 47 4.596 -20.747 -0.590 1.00 13.15 N ATOM 743 CA VAL A 47 4.229 -19.336 -0.586 1.00 40.55 C ATOM 744 C VAL A 47 2.914 -19.112 0.152 1.00 21.11 C ATOM 745 O VAL A 47 2.015 -19.952 0.109 1.00 40.40 O ATOM 746 CB VAL A 47 4.101 -18.787 -2.019 1.00 43.43 C ATOM 747 CG1 VAL A 47 3.741 -17.308 -1.994 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.388 -19.017 -2.795 1.00 3.11 C ATOM 0 H VAL A 47 3.971 -21.344 -1.133 1.00 13.15 H new ATOM 0 HA VAL A 47 5.027 -18.802 -0.070 1.00 40.55 H new ATOM 0 HB VAL A 47 3.298 -19.324 -2.525 1.00 43.43 H new ATOM 0 HG11 VAL A 47 3.655 -16.937 -3.015 1.00 73.12 H new ATOM 0 HG12 VAL A 47 2.790 -17.174 -1.478 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.520 -16.753 -1.471 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.279 -18.623 -3.805 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.211 -18.508 -2.294 1.00 3.11 H new ATOM 0 HG23 VAL A 47 5.598 -20.086 -2.843 1.00 3.11 H new ATOM 758 N ASP A 48 2.809 -17.974 0.830 1.00 31.11 N ATOM 759 CA ASP A 48 1.603 -17.638 1.577 1.00 72.44 C ATOM 760 C ASP A 48 1.105 -16.243 1.207 1.00 70.23 C ATOM 761 O ASP A 48 1.775 -15.244 1.471 1.00 21.40 O ATOM 762 CB ASP A 48 1.871 -17.715 3.081 1.00 33.25 C ATOM 763 CG ASP A 48 1.388 -19.017 3.689 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.160 -19.178 3.849 1.00 32.52 O1- ATOM 765 OD2 ASP A 48 2.238 -19.875 4.005 1.00 23.12 O ATOM 0 H ASP A 48 3.545 -17.269 0.877 1.00 31.11 H new ATOM 0 HA ASP A 48 0.830 -18.361 1.316 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.940 -17.607 3.263 1.00 33.25 H new ATOM 0 HB3 ASP A 48 1.377 -16.880 3.578 1.00 33.25 H new ATOM 770 N LEU A 49 -0.071 -16.185 0.594 1.00 24.33 N ATOM 771 CA LEU A 49 -0.659 -14.912 0.187 1.00 74.30 C ATOM 772 C LEU A 49 -1.581 -14.367 1.272 1.00 41.23 C ATOM 773 O LEU A 49 -2.558 -15.011 1.652 1.00 13.24 O ATOM 774 CB LEU A 49 -1.435 -15.083 -1.120 1.00 25.14 C ATOM 775 CG LEU A 49 -2.068 -13.814 -1.695 1.00 4.23 C ATOM 776 CD1 LEU A 49 -3.378 -13.506 -0.989 1.00 52.13 C ATOM 777 CD2 LEU A 49 -1.108 -12.639 -1.579 1.00 21.20 C ATOM 0 H LEU A 49 -0.637 -17.003 0.367 1.00 24.33 H new ATOM 0 HA LEU A 49 0.150 -14.198 0.032 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.761 -15.500 -1.868 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -2.224 -15.817 -0.958 1.00 25.14 H new ATOM 0 HG LEU A 49 -2.278 -13.982 -2.751 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -3.814 -12.600 -1.411 1.00 52.13 H new ATOM 0 HD12 LEU A 49 -4.069 -14.338 -1.124 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -3.192 -13.358 0.075 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -1.575 -11.745 -1.993 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -0.866 -12.469 -0.530 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -0.194 -12.860 -2.131 1.00 21.20 H new ATOM 789 N ASN A 50 -1.266 -13.173 1.764 1.00 2.14 N ATOM 790 CA ASN A 50 -2.068 -12.539 2.804 1.00 51.24 C ATOM 791 C ASN A 50 -2.921 -11.414 2.224 1.00 73.32 C ATOM 792 O ASN A 50 -2.437 -10.303 2.010 1.00 30.13 O ATOM 793 CB ASN A 50 -1.165 -11.990 3.910 1.00 23.52 C ATOM 794 CG ASN A 50 -0.763 -13.056 4.911 1.00 61.45 C ATOM 795 OD1 ASN A 50 -0.660 -14.235 4.570 1.00 42.53 O ATOM 796 ND2 ASN A 50 -0.533 -12.646 6.152 1.00 44.50 N ATOM 0 H ASN A 50 -0.461 -12.625 1.459 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.731 -13.294 3.226 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.269 -11.559 3.463 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.682 -11.183 4.430 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -0.259 -13.318 6.869 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -0.631 -11.659 6.389 1.00 44.50 H new ATOM 803 N ARG A 51 -4.191 -11.712 1.972 1.00 0.13 N ATOM 804 CA ARG A 51 -5.111 -10.727 1.417 1.00 51.01 C ATOM 805 C ARG A 51 -5.420 -9.635 2.437 1.00 31.24 C ATOM 806 O ARG A 51 -6.008 -8.608 2.101 1.00 2.24 O ATOM 807 CB ARG A 51 -6.408 -11.404 0.969 1.00 21.12 C ATOM 808 CG ARG A 51 -7.148 -12.106 2.097 1.00 33.14 C ATOM 809 CD ARG A 51 -8.487 -12.653 1.628 1.00 3.53 C ATOM 810 NE ARG A 51 -9.467 -12.703 2.709 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.735 -13.061 2.537 1.00 72.34 C ATOM 812 NH1 ARG A 51 -11.172 -13.401 1.332 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -11.567 -13.082 3.571 1.00 73.32 N ATOM 0 H ARG A 51 -4.606 -12.628 2.143 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.632 -10.267 0.553 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -7.064 -10.656 0.525 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -6.179 -12.130 0.189 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.536 -12.921 2.484 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -7.306 -11.408 2.919 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.870 -12.030 0.820 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.347 -13.654 1.219 1.00 3.53 H new ATOM 0 HE ARG A 51 -9.161 -12.449 3.648 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -10.535 -13.388 0.536 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -12.146 -13.676 1.201 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -11.233 -12.823 4.499 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -12.540 -13.357 3.437 1.00 73.32 H new ATOM 827 N GLU A 52 -5.019 -9.866 3.683 1.00 34.15 N ATOM 828 CA GLU A 52 -5.254 -8.903 4.752 1.00 24.22 C ATOM 829 C GLU A 52 -4.397 -7.655 4.558 1.00 0.20 C ATOM 830 O GLU A 52 -4.870 -6.530 4.726 1.00 22.35 O ATOM 831 CB GLU A 52 -4.954 -9.534 6.113 1.00 52.12 C ATOM 832 CG GLU A 52 -3.543 -10.083 6.232 1.00 75.31 C ATOM 833 CD GLU A 52 -3.313 -10.825 7.534 1.00 73.42 C ATOM 834 OE1 GLU A 52 -3.941 -11.887 7.728 1.00 11.41 O ATOM 835 OE2 GLU A 52 -2.507 -10.346 8.357 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.530 -10.712 3.977 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.304 -8.611 4.719 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.111 -8.788 6.892 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.665 -10.340 6.295 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.347 -10.754 5.396 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.830 -9.262 6.155 1.00 75.31 H new ATOM 842 N THR A 53 -3.133 -7.861 4.202 1.00 23.40 N ATOM 843 CA THR A 53 -2.209 -6.755 3.987 1.00 34.31 C ATOM 844 C THR A 53 -1.550 -6.848 2.616 1.00 54.44 C ATOM 845 O THR A 53 -0.525 -6.217 2.365 1.00 31.00 O ATOM 846 CB THR A 53 -1.114 -6.719 5.069 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.288 -7.884 4.970 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.729 -6.644 6.459 1.00 32.42 C ATOM 0 H THR A 53 -2.726 -8.785 4.056 1.00 23.40 H new ATOM 0 HA THR A 53 -2.795 -5.838 4.044 1.00 34.31 H new ATOM 0 HB THR A 53 -0.506 -5.829 4.909 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.407 -7.852 5.661 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.936 -6.620 7.207 1.00 32.42 H new ATOM 0 HG22 THR A 53 -2.333 -5.741 6.541 1.00 32.42 H new ATOM 0 HG23 THR A 53 -2.359 -7.518 6.626 1.00 32.42 H new ATOM 856 N GLY A 54 -2.146 -7.641 1.731 1.00 23.41 N ATOM 857 CA GLY A 54 -1.602 -7.802 0.394 1.00 44.31 C ATOM 858 C GLY A 54 -0.133 -8.174 0.407 1.00 5.13 C ATOM 859 O GLY A 54 0.599 -7.874 -0.536 1.00 74.51 O ATOM 0 H GLY A 54 -2.995 -8.175 1.915 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -2.164 -8.573 -0.133 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.734 -6.874 -0.163 1.00 44.31 H new ATOM 863 N SER A 55 0.300 -8.830 1.480 1.00 33.40 N ATOM 864 CA SER A 55 1.693 -9.239 1.614 1.00 75.11 C ATOM 865 C SER A 55 1.875 -10.694 1.190 1.00 63.23 C ATOM 866 O SER A 55 0.902 -11.401 0.926 1.00 45.55 O ATOM 867 CB SER A 55 2.164 -9.054 3.058 1.00 55.25 C ATOM 868 OG SER A 55 3.431 -8.421 3.104 1.00 71.01 O ATOM 0 H SER A 55 -0.294 -9.089 2.268 1.00 33.40 H new ATOM 0 HA SER A 55 2.296 -8.610 0.959 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.436 -8.458 3.608 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.220 -10.024 3.553 1.00 55.25 H new ATOM 0 HG SER A 55 3.709 -8.313 4.038 1.00 71.01 H new ATOM 874 N ILE A 56 3.127 -11.132 1.127 1.00 3.53 N ATOM 875 CA ILE A 56 3.438 -12.502 0.736 1.00 74.13 C ATOM 876 C ILE A 56 4.694 -13.004 1.442 1.00 0.40 C ATOM 877 O ILE A 56 5.665 -12.265 1.602 1.00 42.33 O ATOM 878 CB ILE A 56 3.636 -12.621 -0.787 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.550 -14.087 -1.221 1.00 3.03 C ATOM 880 CG2 ILE A 56 4.972 -12.021 -1.196 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.151 -14.525 -1.591 1.00 3.04 C ATOM 0 H ILE A 56 3.943 -10.559 1.341 1.00 3.53 H new ATOM 0 HA ILE A 56 2.588 -13.116 1.033 1.00 74.13 H new ATOM 0 HB ILE A 56 2.842 -12.066 -1.286 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.209 -14.244 -2.075 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.918 -14.719 -0.413 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.097 -12.113 -2.275 1.00 41.12 H new ATOM 0 HG22 ILE A 56 4.999 -10.968 -0.916 1.00 41.12 H new ATOM 0 HG23 ILE A 56 5.779 -12.552 -0.691 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.165 -15.574 -1.888 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.491 -14.400 -0.732 1.00 3.04 H new ATOM 0 HD13 ILE A 56 1.787 -13.918 -2.420 1.00 3.04 H new ATOM 893 N ARG A 57 4.666 -14.264 1.861 1.00 32.14 N ATOM 894 CA ARG A 57 5.801 -14.866 2.549 1.00 64.45 C ATOM 895 C ARG A 57 6.166 -16.209 1.925 1.00 32.01 C ATOM 896 O ARG A 57 5.311 -17.078 1.748 1.00 32.22 O ATOM 897 CB ARG A 57 5.485 -15.051 4.034 1.00 61.04 C ATOM 898 CG ARG A 57 5.582 -13.768 4.843 1.00 70.51 C ATOM 899 CD ARG A 57 7.030 -13.354 5.059 1.00 15.33 C ATOM 900 NE ARG A 57 7.135 -12.029 5.664 1.00 71.31 N ATOM 901 CZ ARG A 57 8.288 -11.474 6.018 1.00 72.11 C ATOM 902 NH1 ARG A 57 9.428 -12.124 5.831 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 8.303 -10.263 6.563 1.00 34.43 N ATOM 0 H ARG A 57 3.869 -14.888 1.736 1.00 32.14 H new ATOM 0 HA ARG A 57 6.653 -14.194 2.447 1.00 64.45 H new ATOM 0 HB2 ARG A 57 4.479 -15.458 4.134 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.170 -15.787 4.453 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.047 -12.970 4.328 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.094 -13.907 5.808 1.00 70.51 H new ATOM 0 HD2 ARG A 57 7.525 -14.085 5.699 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.555 -13.359 4.104 1.00 15.33 H new ATOM 0 HE ARG A 57 6.277 -11.502 5.823 1.00 71.31 H new ATOM 0 HH11 ARG A 57 9.422 -13.055 5.414 1.00 34.40 H new ATOM 0 HH12 ARG A 57 10.311 -11.694 6.105 1.00 34.40 H new ATOM 0 HH21 ARG A 57 7.428 -9.759 6.710 1.00 34.43 H new ATOM 0 HH22 ARG A 57 9.189 -9.837 6.835 1.00 34.43 H new ATOM 917 N VAL A 58 7.443 -16.374 1.591 1.00 42.34 N ATOM 918 CA VAL A 58 7.922 -17.611 0.986 1.00 43.54 C ATOM 919 C VAL A 58 8.900 -18.330 1.907 1.00 10.15 C ATOM 920 O VAL A 58 9.973 -17.810 2.218 1.00 73.04 O ATOM 921 CB VAL A 58 8.607 -17.346 -0.367 1.00 23.50 C ATOM 922 CG1 VAL A 58 8.756 -18.639 -1.154 1.00 55.51 C ATOM 923 CG2 VAL A 58 7.826 -16.314 -1.166 1.00 4.35 C ATOM 0 H VAL A 58 8.164 -15.666 1.730 1.00 42.34 H new ATOM 0 HA VAL A 58 7.049 -18.243 0.824 1.00 43.54 H new ATOM 0 HB VAL A 58 9.604 -16.948 -0.177 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.242 -18.431 -2.107 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.361 -19.344 -0.584 1.00 55.51 H new ATOM 0 HG13 VAL A 58 7.771 -19.070 -1.335 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.324 -16.139 -2.119 1.00 4.35 H new ATOM 0 HG22 VAL A 58 6.816 -16.682 -1.347 1.00 4.35 H new ATOM 0 HG23 VAL A 58 7.777 -15.381 -0.605 1.00 4.35 H new ATOM 933 N PHE A 59 8.525 -19.528 2.341 1.00 1.31 N ATOM 934 CA PHE A 59 9.371 -20.320 3.229 1.00 44.44 C ATOM 935 C PHE A 59 9.823 -21.606 2.543 1.00 1.24 C ATOM 936 O PHE A 59 9.173 -22.092 1.618 1.00 3.23 O ATOM 937 CB PHE A 59 8.620 -20.654 4.520 1.00 43.13 C ATOM 938 CG PHE A 59 8.038 -19.448 5.203 1.00 34.01 C ATOM 939 CD1 PHE A 59 8.846 -18.593 5.934 1.00 52.45 C ATOM 940 CD2 PHE A 59 6.684 -19.172 5.113 1.00 45.01 C ATOM 941 CE1 PHE A 59 8.314 -17.485 6.565 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.146 -18.065 5.741 1.00 52.11 C ATOM 943 CZ PHE A 59 6.962 -17.220 6.467 1.00 33.22 C ATOM 0 H PHE A 59 7.641 -19.973 2.093 1.00 1.31 H new ATOM 0 HA PHE A 59 10.254 -19.729 3.473 1.00 44.44 H new ATOM 0 HB2 PHE A 59 7.818 -21.356 4.293 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.300 -21.158 5.207 1.00 43.13 H new ATOM 0 HD1 PHE A 59 9.904 -18.795 6.012 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.041 -19.829 4.546 1.00 45.01 H new ATOM 0 HE1 PHE A 59 8.954 -16.827 7.134 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.088 -17.861 5.664 1.00 52.11 H new ATOM 0 HZ PHE A 59 6.544 -16.353 6.957 1.00 33.22 H new ATOM 953 N ALA A 60 10.944 -22.152 3.005 1.00 64.33 N ATOM 954 CA ALA A 60 11.484 -23.381 2.438 1.00 61.55 C ATOM 955 C ALA A 60 11.492 -24.504 3.471 1.00 45.11 C ATOM 956 O ALA A 60 11.975 -24.328 4.589 1.00 31.21 O ATOM 957 CB ALA A 60 12.888 -23.144 1.903 1.00 21.41 C ATOM 0 H ALA A 60 11.495 -21.762 3.770 1.00 64.33 H new ATOM 0 HA ALA A 60 10.840 -23.685 1.613 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.278 -24.071 1.483 1.00 21.41 H new ATOM 0 HB2 ALA A 60 12.858 -22.378 1.128 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.536 -22.813 2.715 1.00 21.41 H new ATOM 963 N ARG A 61 10.952 -25.657 3.088 1.00 41.23 N ATOM 964 CA ARG A 61 10.895 -26.808 3.982 1.00 72.14 C ATOM 965 C ARG A 61 12.080 -27.739 3.745 1.00 20.13 C ATOM 966 O ARG A 61 12.447 -28.017 2.603 1.00 1.01 O ATOM 967 CB ARG A 61 9.585 -27.571 3.781 1.00 64.24 C ATOM 968 CG ARG A 61 9.026 -28.169 5.063 1.00 32.03 C ATOM 969 CD ARG A 61 7.748 -28.949 4.803 1.00 70.43 C ATOM 970 NE ARG A 61 6.555 -28.136 5.024 1.00 4.21 N ATOM 971 CZ ARG A 61 5.348 -28.646 5.240 1.00 31.53 C ATOM 972 NH1 ARG A 61 5.174 -29.960 5.265 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 4.311 -27.841 5.433 1.00 24.30 N ATOM 0 H ARG A 61 10.548 -25.819 2.165 1.00 41.23 H new ATOM 0 HA ARG A 61 10.941 -26.443 5.008 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.844 -26.897 3.351 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.747 -28.370 3.058 1.00 64.24 H new ATOM 0 HG2 ARG A 61 9.770 -28.827 5.513 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.828 -27.373 5.781 1.00 32.03 H new ATOM 0 HD2 ARG A 61 7.751 -29.317 3.777 1.00 70.43 H new ATOM 0 HD3 ARG A 61 7.717 -29.822 5.455 1.00 70.43 H new ATOM 0 HE ARG A 61 6.654 -27.121 5.012 1.00 4.21 H new ATOM 0 HH11 ARG A 61 5.969 -30.583 5.118 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.246 -30.348 5.431 1.00 71.04 H new ATOM 0 HH21 ARG A 61 4.440 -26.829 5.416 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.384 -28.234 5.599 1.00 24.30 H new ATOM 987 N LYS A 62 12.676 -28.219 4.830 1.00 10.33 N ATOM 988 CA LYS A 62 13.819 -29.120 4.743 1.00 21.43 C ATOM 989 C LYS A 62 13.670 -30.285 5.717 1.00 75.40 C ATOM 990 O LYS A 62 13.306 -30.093 6.877 1.00 2.42 O ATOM 991 CB LYS A 62 15.115 -28.362 5.033 1.00 43.22 C ATOM 992 CG LYS A 62 15.767 -27.773 3.793 1.00 41.54 C ATOM 993 CD LYS A 62 16.463 -26.458 4.098 1.00 43.23 C ATOM 994 CE LYS A 62 17.680 -26.253 3.211 1.00 43.44 C ATOM 995 NZ LYS A 62 18.899 -26.887 3.783 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.386 -27.999 5.783 1.00 10.33 H new ATOM 0 HA LYS A 62 13.858 -29.520 3.730 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.906 -27.559 5.739 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.820 -29.037 5.518 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.489 -28.482 3.389 1.00 41.54 H new ATOM 0 HG3 LYS A 62 15.011 -27.615 3.024 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.764 -25.634 3.955 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.767 -26.440 5.145 1.00 43.23 H new ATOM 0 HE2 LYS A 62 17.483 -26.670 2.223 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.855 -25.186 3.077 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 19.706 -26.724 3.147 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 19.102 -26.471 4.714 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.742 -27.910 3.887 1.00 24.24 H new ATOM 1009 N ASP A 63 13.955 -31.490 5.238 1.00 23.54 N ATOM 1010 CA ASP A 63 13.855 -32.686 6.067 1.00 42.41 C ATOM 1011 C ASP A 63 14.721 -32.554 7.316 1.00 73.33 C ATOM 1012 O ASP A 63 15.845 -32.057 7.255 1.00 62.32 O ATOM 1013 CB ASP A 63 14.273 -33.923 5.270 1.00 73.01 C ATOM 1014 CG ASP A 63 13.163 -34.952 5.174 1.00 64.14 C ATOM 1015 OD1 ASP A 63 12.281 -34.793 4.305 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 13.177 -35.915 5.970 1.00 40.11 O ATOM 0 H ASP A 63 14.257 -31.665 4.280 1.00 23.54 H new ATOM 0 HA ASP A 63 12.816 -32.798 6.376 1.00 42.41 H new ATOM 0 HB2 ASP A 63 14.572 -33.621 4.266 1.00 73.01 H new ATOM 0 HB3 ASP A 63 15.146 -34.377 5.740 1.00 73.01 H new ATOM 1021 N VAL A 64 14.189 -33.004 8.449 1.00 22.25 N ATOM 1022 CA VAL A 64 14.913 -32.937 9.712 1.00 63.30 C ATOM 1023 C VAL A 64 15.384 -34.319 10.150 1.00 51.12 C ATOM 1024 O VAL A 64 14.585 -35.154 10.573 1.00 75.14 O ATOM 1025 CB VAL A 64 14.042 -32.327 10.827 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.871 -32.078 12.078 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.388 -31.039 10.347 1.00 14.04 C ATOM 0 H VAL A 64 13.260 -33.419 8.517 1.00 22.25 H new ATOM 0 HA VAL A 64 15.779 -32.297 9.546 1.00 63.30 H new ATOM 0 HB VAL A 64 13.254 -33.038 11.078 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.238 -31.647 12.854 1.00 52.52 H new ATOM 0 HG12 VAL A 64 15.288 -33.021 12.432 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.682 -31.387 11.846 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.776 -30.621 11.147 1.00 14.04 H new ATOM 0 HG22 VAL A 64 14.159 -30.321 10.068 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.759 -31.251 9.482 1.00 14.04 H new ATOM 1037 N VAL A 65 16.689 -34.553 10.046 1.00 11.54 N ATOM 1038 CA VAL A 65 17.268 -35.834 10.432 1.00 13.21 C ATOM 1039 C VAL A 65 18.708 -35.666 10.906 1.00 31.21 C ATOM 1040 O VAL A 65 19.391 -34.716 10.523 1.00 25.11 O ATOM 1041 CB VAL A 65 17.237 -36.840 9.265 1.00 54.34 C ATOM 1042 CG1 VAL A 65 15.802 -37.170 8.883 1.00 54.12 C ATOM 1043 CG2 VAL A 65 18.003 -36.291 8.070 1.00 31.51 C ATOM 0 H VAL A 65 17.364 -33.872 9.698 1.00 11.54 H new ATOM 0 HA VAL A 65 16.662 -36.221 11.251 1.00 13.21 H new ATOM 0 HB VAL A 65 17.722 -37.761 9.588 1.00 54.34 H new ATOM 0 HG11 VAL A 65 15.800 -37.882 8.057 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.289 -37.606 9.740 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.288 -36.259 8.578 1.00 54.12 H new ATOM 0 HG21 VAL A 65 17.972 -37.014 7.254 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.547 -35.356 7.744 1.00 31.51 H new ATOM 0 HG23 VAL A 65 19.040 -36.110 8.354 1.00 31.51 H new ATOM 1053 N ASP A 66 19.163 -36.594 11.739 1.00 62.52 N ATOM 1054 CA ASP A 66 20.523 -36.551 12.264 1.00 23.33 C ATOM 1055 C ASP A 66 21.536 -36.904 11.180 1.00 21.04 C ATOM 1056 O ASP A 66 22.707 -36.538 11.271 1.00 0.24 O ATOM 1057 CB ASP A 66 20.666 -37.510 13.447 1.00 11.32 C ATOM 1058 CG ASP A 66 21.790 -37.111 14.383 1.00 10.50 C ATOM 1059 OD1 ASP A 66 22.830 -36.625 13.889 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.629 -37.282 15.610 1.00 32.13 O ATOM 0 H ASP A 66 18.610 -37.386 12.066 1.00 62.52 H new ATOM 0 HA ASP A 66 20.723 -35.535 12.604 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.728 -37.540 14.002 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.848 -38.518 13.074 1.00 11.32 H new ATOM 1065 N GLU A 67 21.075 -37.617 10.157 1.00 15.03 N ATOM 1066 CA GLU A 67 21.943 -38.021 9.057 1.00 31.11 C ATOM 1067 C GLU A 67 21.358 -37.587 7.716 1.00 50.23 C ATOM 1068 O GLU A 67 20.363 -38.143 7.249 1.00 63.43 O ATOM 1069 CB GLU A 67 22.148 -39.537 9.069 1.00 55.42 C ATOM 1070 CG GLU A 67 22.748 -40.058 10.364 1.00 72.25 C ATOM 1071 CD GLU A 67 21.699 -40.584 11.324 1.00 31.21 C ATOM 1072 OE1 GLU A 67 20.501 -40.303 11.107 1.00 71.05 O ATOM 1073 OE2 GLU A 67 22.075 -41.277 12.293 1.00 25.33 O1- ATOM 0 H GLU A 67 20.107 -37.926 10.067 1.00 15.03 H new ATOM 0 HA GLU A 67 22.907 -37.531 9.190 1.00 31.11 H new ATOM 0 HB2 GLU A 67 21.189 -40.027 8.900 1.00 55.42 H new ATOM 0 HB3 GLU A 67 22.798 -39.814 8.239 1.00 55.42 H new ATOM 0 HG2 GLU A 67 23.458 -40.853 10.137 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.309 -39.258 10.848 1.00 72.25 H new ATOM 1080 N VAL A 68 21.982 -36.588 7.100 1.00 15.43 N ATOM 1081 CA VAL A 68 21.526 -36.078 5.812 1.00 65.11 C ATOM 1082 C VAL A 68 21.314 -37.213 4.816 1.00 4.00 C ATOM 1083 O VAL A 68 22.266 -37.878 4.406 1.00 42.11 O ATOM 1084 CB VAL A 68 22.527 -35.070 5.219 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.011 -34.516 3.901 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.800 -33.947 6.209 1.00 63.52 C ATOM 0 H VAL A 68 22.806 -36.115 7.472 1.00 15.43 H new ATOM 0 HA VAL A 68 20.577 -35.572 5.991 1.00 65.11 H new ATOM 0 HB VAL A 68 23.466 -35.589 5.024 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.732 -33.805 3.498 1.00 71.34 H new ATOM 0 HG12 VAL A 68 21.871 -35.333 3.193 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.059 -34.012 4.066 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.510 -33.243 5.774 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.869 -33.429 6.437 1.00 63.52 H new ATOM 0 HG23 VAL A 68 23.218 -34.364 7.126 1.00 63.52 H new ATOM 1096 N TYR A 69 20.062 -37.429 4.430 1.00 32.10 N ATOM 1097 CA TYR A 69 19.724 -38.485 3.483 1.00 32.14 C ATOM 1098 C TYR A 69 19.196 -37.898 2.178 1.00 61.22 C ATOM 1099 O TYR A 69 19.168 -38.571 1.147 1.00 10.20 O ATOM 1100 CB TYR A 69 18.686 -39.430 4.089 1.00 62.24 C ATOM 1101 CG TYR A 69 19.290 -40.612 4.812 1.00 44.51 C ATOM 1102 CD1 TYR A 69 19.837 -41.677 4.108 1.00 73.44 C ATOM 1103 CD2 TYR A 69 19.312 -40.664 6.201 1.00 23.33 C ATOM 1104 CE1 TYR A 69 20.390 -42.759 4.765 1.00 1.01 C ATOM 1105 CE2 TYR A 69 19.865 -41.741 6.866 1.00 60.10 C ATOM 1106 CZ TYR A 69 20.402 -42.786 6.144 1.00 34.24 C ATOM 1107 OH TYR A 69 20.952 -43.862 6.802 1.00 60.13 O ATOM 0 H TYR A 69 19.263 -36.886 4.759 1.00 32.10 H new ATOM 0 HA TYR A 69 20.632 -39.047 3.265 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.061 -38.871 4.785 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.033 -39.795 3.296 1.00 62.24 H new ATOM 0 HD1 TYR A 69 19.830 -41.659 3.028 1.00 73.44 H new ATOM 0 HD2 TYR A 69 18.890 -39.849 6.770 1.00 23.33 H new ATOM 0 HE1 TYR A 69 20.811 -43.579 4.202 1.00 1.01 H new ATOM 0 HE2 TYR A 69 19.877 -41.765 7.946 1.00 60.10 H new ATOM 0 HH TYR A 69 20.882 -43.725 7.770 1.00 60.13 H new ATOM 1117 N ASP A 70 18.776 -36.639 2.231 1.00 20.02 N ATOM 1118 CA ASP A 70 18.249 -35.958 1.054 1.00 33.31 C ATOM 1119 C ASP A 70 19.224 -34.894 0.559 1.00 24.14 C ATOM 1120 O ASP A 70 19.153 -33.735 0.968 1.00 24.10 O ATOM 1121 CB ASP A 70 16.896 -35.319 1.371 1.00 13.03 C ATOM 1122 CG ASP A 70 15.818 -36.351 1.641 1.00 63.42 C ATOM 1123 OD1 ASP A 70 15.312 -36.949 0.669 1.00 60.34 O ATOM 1124 OD2 ASP A 70 15.479 -36.558 2.825 1.00 62.25 O1- ATOM 0 H ASP A 70 18.790 -36.069 3.077 1.00 20.02 H new ATOM 0 HA ASP A 70 18.117 -36.699 0.266 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.999 -34.669 2.240 1.00 13.03 H new ATOM 0 HB3 ASP A 70 16.591 -34.688 0.536 1.00 13.03 H new ATOM 1129 N GLN A 71 20.134 -35.298 -0.322 1.00 45.13 N ATOM 1130 CA GLN A 71 21.125 -34.379 -0.870 1.00 73.34 C ATOM 1131 C GLN A 71 20.451 -33.168 -1.507 1.00 44.25 C ATOM 1132 O GLN A 71 21.036 -32.087 -1.584 1.00 55.10 O ATOM 1133 CB GLN A 71 21.998 -35.093 -1.904 1.00 71.25 C ATOM 1134 CG GLN A 71 21.205 -35.718 -3.041 1.00 52.44 C ATOM 1135 CD GLN A 71 21.980 -36.800 -3.767 1.00 44.52 C ATOM 1136 OE1 GLN A 71 22.104 -36.775 -4.991 1.00 34.54 O ATOM 1137 NE2 GLN A 71 22.507 -37.758 -3.014 1.00 51.40 N ATOM 0 H GLN A 71 20.205 -36.254 -0.671 1.00 45.13 H new ATOM 0 HA GLN A 71 21.754 -34.033 -0.050 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.712 -34.381 -2.318 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.576 -35.871 -1.405 1.00 71.25 H new ATOM 0 HG2 GLN A 71 20.282 -36.141 -2.645 1.00 52.44 H new ATOM 0 HG3 GLN A 71 20.921 -34.941 -3.751 1.00 52.44 H new ATOM 0 HE21 GLN A 71 22.380 -37.740 -2.002 1.00 51.40 H new ATOM 0 HE22 GLN A 71 23.039 -38.512 -3.447 1.00 51.40 H new ATOM 1146 N ARG A 72 19.216 -33.355 -1.962 1.00 4.45 N ATOM 1147 CA ARG A 72 18.462 -32.279 -2.594 1.00 31.14 C ATOM 1148 C ARG A 72 18.089 -31.206 -1.574 1.00 3.13 C ATOM 1149 O ARG A 72 18.168 -30.011 -1.858 1.00 25.45 O ATOM 1150 CB ARG A 72 17.199 -32.832 -3.255 1.00 14.31 C ATOM 1151 CG ARG A 72 16.279 -33.565 -2.292 1.00 43.23 C ATOM 1152 CD ARG A 72 15.108 -34.205 -3.020 1.00 44.31 C ATOM 1153 NE ARG A 72 15.473 -35.482 -3.628 1.00 31.03 N ATOM 1154 CZ ARG A 72 14.587 -36.398 -4.003 1.00 1.35 C ATOM 1155 NH1 ARG A 72 13.289 -36.180 -3.832 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 14.996 -37.536 -4.550 1.00 72.31 N ATOM 0 H ARG A 72 18.716 -34.242 -1.905 1.00 4.45 H new ATOM 0 HA ARG A 72 19.094 -31.826 -3.358 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.650 -32.010 -3.714 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.487 -33.511 -4.058 1.00 14.31 H new ATOM 0 HG2 ARG A 72 16.843 -34.332 -1.761 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.906 -32.868 -1.542 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.286 -34.358 -2.320 1.00 44.31 H new ATOM 0 HD3 ARG A 72 14.747 -33.526 -3.792 1.00 44.31 H new ATOM 0 HE ARG A 72 16.463 -35.681 -3.773 1.00 31.03 H new ATOM 0 HH11 ARG A 72 12.969 -35.307 -3.412 1.00 20.14 H new ATOM 0 HH12 ARG A 72 12.611 -36.885 -4.121 1.00 20.14 H new ATOM 0 HH21 ARG A 72 15.992 -37.709 -4.683 1.00 72.31 H new ATOM 0 HH22 ARG A 72 14.314 -38.238 -4.837 1.00 72.31 H new ATOM 1170 N LEU A 73 17.681 -31.642 -0.388 1.00 3.20 N ATOM 1171 CA LEU A 73 17.295 -30.720 0.675 1.00 51.45 C ATOM 1172 C LEU A 73 17.179 -31.445 2.010 1.00 42.22 C ATOM 1173 O LEU A 73 16.389 -32.378 2.155 1.00 32.31 O ATOM 1174 CB LEU A 73 15.966 -30.044 0.331 1.00 24.54 C ATOM 1175 CG LEU A 73 14.745 -30.963 0.255 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.907 -30.842 1.518 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.910 -30.639 -0.975 1.00 14.14 C ATOM 0 H LEU A 73 17.609 -32.628 -0.138 1.00 3.20 H new ATOM 0 HA LEU A 73 18.071 -29.960 0.763 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.770 -29.273 1.076 1.00 24.54 H new ATOM 0 HB3 LEU A 73 16.076 -29.539 -0.629 1.00 24.54 H new ATOM 0 HG LEU A 73 15.093 -31.993 0.172 1.00 44.12 H new ATOM 0 HD11 LEU A 73 13.043 -31.503 1.446 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.509 -31.124 2.382 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.568 -29.812 1.632 1.00 70.54 H new ATOM 0 HD21 LEU A 73 13.046 -31.302 -1.013 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.571 -29.604 -0.923 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.514 -30.778 -1.872 1.00 14.14 H new ATOM 1189 N GLU A 74 17.971 -31.010 2.986 1.00 52.14 N ATOM 1190 CA GLU A 74 17.955 -31.618 4.311 1.00 53.33 C ATOM 1191 C GLU A 74 18.633 -30.711 5.333 1.00 31.14 C ATOM 1192 O GLU A 74 19.550 -29.959 5.001 1.00 54.40 O ATOM 1193 CB GLU A 74 18.652 -32.980 4.279 1.00 34.50 C ATOM 1194 CG GLU A 74 18.171 -33.934 5.360 1.00 5.55 C ATOM 1195 CD GLU A 74 18.762 -33.618 6.721 1.00 50.11 C ATOM 1196 OE1 GLU A 74 20.004 -33.538 6.826 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.980 -33.449 7.681 1.00 54.12 O1- ATOM 0 H GLU A 74 18.631 -30.239 2.883 1.00 52.14 H new ATOM 0 HA GLU A 74 16.915 -31.757 4.607 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.491 -33.439 3.303 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.726 -32.832 4.388 1.00 34.50 H new ATOM 0 HG2 GLU A 74 17.084 -33.890 5.421 1.00 5.55 H new ATOM 0 HG3 GLU A 74 18.434 -34.955 5.082 1.00 5.55 H new ATOM 1204 N ILE A 75 18.176 -30.789 6.579 1.00 62.14 N ATOM 1205 CA ILE A 75 18.738 -29.975 7.650 1.00 30.31 C ATOM 1206 C ILE A 75 19.064 -30.827 8.873 1.00 75.04 C ATOM 1207 O ILE A 75 18.205 -31.538 9.393 1.00 14.04 O ATOM 1208 CB ILE A 75 17.777 -28.847 8.065 1.00 50.21 C ATOM 1209 CG1 ILE A 75 18.280 -28.161 9.337 1.00 4.55 C ATOM 1210 CG2 ILE A 75 16.373 -29.397 8.272 1.00 62.41 C ATOM 1211 CD1 ILE A 75 18.077 -26.662 9.335 1.00 31.35 C ATOM 0 H ILE A 75 17.419 -31.407 6.871 1.00 62.14 H new ATOM 0 HA ILE A 75 19.656 -29.533 7.262 1.00 30.31 H new ATOM 0 HB ILE A 75 17.742 -28.107 7.266 1.00 50.21 H new ATOM 0 HG12 ILE A 75 17.766 -28.588 10.198 1.00 4.55 H new ATOM 0 HG13 ILE A 75 19.341 -28.376 9.461 1.00 4.55 H new ATOM 0 HG21 ILE A 75 15.705 -28.587 8.565 1.00 62.41 H new ATOM 0 HG22 ILE A 75 16.017 -29.844 7.344 1.00 62.41 H new ATOM 0 HG23 ILE A 75 16.391 -30.155 9.056 1.00 62.41 H new ATOM 0 HD11 ILE A 75 18.456 -26.242 10.267 1.00 31.35 H new ATOM 0 HD12 ILE A 75 18.614 -26.223 8.494 1.00 31.35 H new ATOM 0 HD13 ILE A 75 17.014 -26.439 9.243 1.00 31.35 H new ATOM 1223 N SER A 76 20.310 -30.747 9.328 1.00 72.03 N ATOM 1224 CA SER A 76 20.750 -31.511 10.490 1.00 2.32 C ATOM 1225 C SER A 76 19.867 -31.220 11.699 1.00 11.44 C ATOM 1226 O SER A 76 19.543 -30.066 11.980 1.00 13.53 O ATOM 1227 CB SER A 76 22.208 -31.186 10.818 1.00 63.42 C ATOM 1228 OG SER A 76 22.940 -32.363 11.115 1.00 63.00 O ATOM 0 H SER A 76 21.033 -30.161 8.910 1.00 72.03 H new ATOM 0 HA SER A 76 20.667 -32.571 10.249 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.668 -30.672 9.974 1.00 63.42 H new ATOM 0 HB3 SER A 76 22.249 -30.504 11.668 1.00 63.42 H new ATOM 0 HG SER A 76 23.869 -32.128 11.319 1.00 63.00 H new ATOM 1234 N ILE A 77 19.480 -32.275 12.409 1.00 32.21 N ATOM 1235 CA ILE A 77 18.634 -32.132 13.588 1.00 42.24 C ATOM 1236 C ILE A 77 19.206 -31.097 14.552 1.00 3.30 C ATOM 1237 O ILE A 77 18.462 -30.361 15.198 1.00 62.34 O ATOM 1238 CB ILE A 77 18.472 -33.472 14.329 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.554 -33.301 15.541 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.829 -34.009 14.757 1.00 44.33 C ATOM 1241 CD1 ILE A 77 16.147 -32.878 15.178 1.00 2.10 C ATOM 0 H ILE A 77 19.738 -33.237 12.189 1.00 32.21 H new ATOM 0 HA ILE A 77 17.657 -31.799 13.238 1.00 42.24 H new ATOM 0 HB ILE A 77 18.016 -34.193 13.650 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.512 -34.242 16.090 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.986 -32.559 16.212 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.697 -34.957 15.279 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.453 -34.164 13.877 1.00 44.33 H new ATOM 0 HG23 ILE A 77 20.311 -33.292 15.422 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.552 -32.776 16.086 1.00 2.10 H new ATOM 0 HD12 ILE A 77 16.178 -31.922 14.655 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.696 -33.631 14.531 1.00 2.10 H new ATOM 1253 N GLU A 78 20.531 -31.048 14.642 1.00 30.11 N ATOM 1254 CA GLU A 78 21.202 -30.102 15.526 1.00 0.34 C ATOM 1255 C GLU A 78 21.102 -28.681 14.980 1.00 42.21 C ATOM 1256 O GLU A 78 21.023 -27.717 15.740 1.00 45.21 O ATOM 1257 CB GLU A 78 22.671 -30.490 15.704 1.00 12.10 C ATOM 1258 CG GLU A 78 23.416 -30.668 14.392 1.00 52.02 C ATOM 1259 CD GLU A 78 24.905 -30.882 14.591 1.00 3.31 C ATOM 1260 OE1 GLU A 78 25.290 -31.417 15.652 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.683 -30.516 13.687 1.00 44.14 O ATOM 0 H GLU A 78 21.161 -31.652 14.114 1.00 30.11 H new ATOM 0 HA GLU A 78 20.705 -30.135 16.496 1.00 0.34 H new ATOM 0 HB2 GLU A 78 23.172 -29.723 16.295 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.727 -31.418 16.273 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.999 -31.519 13.854 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.259 -29.789 13.767 1.00 52.02 H new ATOM 1268 N GLU A 79 21.107 -28.561 13.655 1.00 34.12 N ATOM 1269 CA GLU A 79 21.018 -27.258 13.006 1.00 41.22 C ATOM 1270 C GLU A 79 19.664 -26.608 13.274 1.00 73.11 C ATOM 1271 O GLU A 79 19.574 -25.398 13.483 1.00 3.25 O ATOM 1272 CB GLU A 79 21.240 -27.397 11.500 1.00 40.51 C ATOM 1273 CG GLU A 79 21.233 -26.071 10.758 1.00 71.40 C ATOM 1274 CD GLU A 79 22.601 -25.417 10.720 1.00 23.32 C ATOM 1275 OE1 GLU A 79 23.462 -25.888 9.947 1.00 25.22 O ATOM 1276 OE2 GLU A 79 22.810 -24.436 11.463 1.00 73.13 O1- ATOM 0 H GLU A 79 21.172 -29.350 13.011 1.00 34.12 H new ATOM 0 HA GLU A 79 21.797 -26.620 13.423 1.00 41.22 H new ATOM 0 HB2 GLU A 79 22.194 -27.896 11.326 1.00 40.51 H new ATOM 0 HB3 GLU A 79 20.464 -28.040 11.085 1.00 40.51 H new ATOM 0 HG2 GLU A 79 20.882 -26.231 9.738 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.524 -25.395 11.236 1.00 71.40 H new ATOM 1283 N ALA A 80 18.612 -27.420 13.268 1.00 23.40 N ATOM 1284 CA ALA A 80 17.263 -26.925 13.511 1.00 41.12 C ATOM 1285 C ALA A 80 17.113 -26.423 14.942 1.00 13.05 C ATOM 1286 O ALA A 80 16.323 -25.518 15.211 1.00 13.31 O ATOM 1287 CB ALA A 80 16.241 -28.016 13.222 1.00 63.34 C ATOM 0 H ALA A 80 18.668 -28.424 13.097 1.00 23.40 H new ATOM 0 HA ALA A 80 17.083 -26.086 12.839 1.00 41.12 H new ATOM 0 HB1 ALA A 80 15.238 -27.633 13.408 1.00 63.34 H new ATOM 0 HB2 ALA A 80 16.324 -28.326 12.180 1.00 63.34 H new ATOM 0 HB3 ALA A 80 16.429 -28.871 13.871 1.00 63.34 H new ATOM 1293 N GLN A 81 17.874 -27.016 15.856 1.00 53.33 N ATOM 1294 CA GLN A 81 17.823 -26.628 17.261 1.00 55.10 C ATOM 1295 C GLN A 81 18.302 -25.192 17.447 1.00 65.05 C ATOM 1296 O GLN A 81 17.881 -24.502 18.374 1.00 13.14 O ATOM 1297 CB GLN A 81 18.677 -27.576 18.105 1.00 55.14 C ATOM 1298 CG GLN A 81 18.322 -29.042 17.919 1.00 15.04 C ATOM 1299 CD GLN A 81 17.630 -29.635 19.131 1.00 74.24 C ATOM 1300 OE1 GLN A 81 17.922 -29.267 20.269 1.00 60.45 O ATOM 1301 NE2 GLN A 81 16.705 -30.557 18.892 1.00 12.11 N ATOM 0 H GLN A 81 18.533 -27.767 15.649 1.00 53.33 H new ATOM 0 HA GLN A 81 16.786 -26.692 17.592 1.00 55.10 H new ATOM 0 HB2 GLN A 81 19.727 -27.430 17.851 1.00 55.14 H new ATOM 0 HB3 GLN A 81 18.564 -27.314 19.157 1.00 55.14 H new ATOM 0 HG2 GLN A 81 17.675 -29.147 17.048 1.00 15.04 H new ATOM 0 HG3 GLN A 81 19.230 -29.608 17.711 1.00 15.04 H new ATOM 0 HE21 GLN A 81 16.495 -30.832 17.932 1.00 12.11 H new ATOM 0 HE22 GLN A 81 16.204 -30.990 19.668 1.00 12.11 H new ATOM 1310 N GLY A 82 19.186 -24.749 16.558 1.00 10.33 N ATOM 1311 CA GLY A 82 19.708 -23.397 16.643 1.00 0.41 C ATOM 1312 C GLY A 82 18.609 -22.355 16.721 1.00 3.45 C ATOM 1313 O GLY A 82 18.771 -21.322 17.372 1.00 20.11 O ATOM 0 H GLY A 82 19.550 -25.301 15.781 1.00 10.33 H new ATOM 0 HA2 GLY A 82 20.348 -23.312 17.521 1.00 0.41 H new ATOM 0 HA3 GLY A 82 20.333 -23.197 15.773 1.00 0.41 H new ATOM 1317 N ILE A 83 17.491 -22.625 16.056 1.00 31.40 N ATOM 1318 CA ILE A 83 16.363 -21.702 16.054 1.00 1.12 C ATOM 1319 C ILE A 83 15.183 -22.275 16.830 1.00 73.35 C ATOM 1320 O ILE A 83 14.331 -21.534 17.321 1.00 13.12 O ATOM 1321 CB ILE A 83 15.909 -21.372 14.619 1.00 1.41 C ATOM 1322 CG1 ILE A 83 15.342 -22.622 13.942 1.00 4.34 C ATOM 1323 CG2 ILE A 83 17.068 -20.806 13.814 1.00 22.22 C ATOM 1324 CD1 ILE A 83 14.861 -22.376 12.528 1.00 2.43 C ATOM 0 H ILE A 83 17.342 -23.475 15.512 1.00 31.40 H new ATOM 0 HA ILE A 83 16.703 -20.787 16.538 1.00 1.12 H new ATOM 0 HB ILE A 83 15.123 -20.618 14.665 1.00 1.41 H new ATOM 0 HG12 ILE A 83 16.108 -23.397 13.927 1.00 4.34 H new ATOM 0 HG13 ILE A 83 14.513 -23.004 14.538 1.00 4.34 H new ATOM 0 HG21 ILE A 83 16.731 -20.578 12.803 1.00 22.22 H new ATOM 0 HG22 ILE A 83 17.431 -19.895 14.290 1.00 22.22 H new ATOM 0 HG23 ILE A 83 17.874 -21.539 13.772 1.00 22.22 H new ATOM 0 HD11 ILE A 83 14.472 -23.304 12.109 1.00 2.43 H new ATOM 0 HD12 ILE A 83 14.072 -21.624 12.538 1.00 2.43 H new ATOM 0 HD13 ILE A 83 15.692 -22.023 11.917 1.00 2.43 H new ATOM 1336 N HIS A 84 15.140 -23.599 16.939 1.00 63.03 N ATOM 1337 CA HIS A 84 14.064 -24.273 17.659 1.00 54.51 C ATOM 1338 C HIS A 84 14.490 -25.675 18.083 1.00 12.33 C ATOM 1339 O HIS A 84 14.408 -26.634 17.316 1.00 53.42 O ATOM 1340 CB HIS A 84 12.810 -24.350 16.788 1.00 32.52 C ATOM 1341 CG HIS A 84 11.546 -24.039 17.531 1.00 13.05 C ATOM 1342 ND1 HIS A 84 11.306 -24.465 18.820 1.00 42.33 N ATOM 1343 CD2 HIS A 84 10.450 -23.338 17.157 1.00 40.41 C ATOM 1344 CE1 HIS A 84 10.116 -24.040 19.206 1.00 4.32 C ATOM 1345 NE2 HIS A 84 9.576 -23.354 18.217 1.00 13.00 N ATOM 0 H HIS A 84 15.837 -24.227 16.538 1.00 63.03 H new ATOM 0 HA HIS A 84 13.840 -23.694 18.555 1.00 54.51 H new ATOM 0 HB2 HIS A 84 12.913 -23.655 15.955 1.00 32.52 H new ATOM 0 HB3 HIS A 84 12.735 -25.350 16.361 1.00 32.52 H new ATOM 0 HD2 HIS A 84 10.292 -22.856 16.203 1.00 40.41 H new ATOM 0 HE1 HIS A 84 9.662 -24.223 20.169 1.00 4.32 H new ATOM 0 HE2 HIS A 84 8.659 -22.908 18.236 1.00 13.00 H new ATOM 1353 N PRO A 85 14.957 -25.799 19.335 1.00 51.33 N ATOM 1354 CA PRO A 85 15.404 -27.080 19.890 1.00 21.45 C ATOM 1355 C PRO A 85 14.248 -28.048 20.120 1.00 1.12 C ATOM 1356 O PRO A 85 14.460 -29.213 20.453 1.00 55.23 O ATOM 1357 CB PRO A 85 16.044 -26.685 21.222 1.00 54.51 C ATOM 1358 CG PRO A 85 15.378 -25.406 21.598 1.00 23.33 C ATOM 1359 CD PRO A 85 15.082 -24.698 20.305 1.00 35.21 C ATOM 0 HA PRO A 85 16.081 -27.603 19.214 1.00 21.45 H new ATOM 0 HB2 PRO A 85 15.885 -27.452 21.980 1.00 54.51 H new ATOM 0 HB3 PRO A 85 17.121 -26.555 21.120 1.00 54.51 H new ATOM 0 HG2 PRO A 85 14.462 -25.593 22.159 1.00 23.33 H new ATOM 0 HG3 PRO A 85 16.024 -24.802 22.235 1.00 23.33 H new ATOM 0 HD2 PRO A 85 14.165 -24.112 20.368 1.00 35.21 H new ATOM 0 HD3 PRO A 85 15.882 -24.010 20.031 1.00 35.21 H new ATOM 1367 N GLU A 86 13.027 -27.556 19.940 1.00 11.24 N ATOM 1368 CA GLU A 86 11.837 -28.380 20.129 1.00 2.30 C ATOM 1369 C GLU A 86 11.668 -29.363 18.975 1.00 54.33 C ATOM 1370 O GLU A 86 10.960 -30.364 19.097 1.00 72.01 O ATOM 1371 CB GLU A 86 10.593 -27.498 20.248 1.00 32.11 C ATOM 1372 CG GLU A 86 10.519 -26.724 21.554 1.00 10.02 C ATOM 1373 CD GLU A 86 10.594 -27.625 22.772 1.00 32.22 C ATOM 1374 OE1 GLU A 86 9.753 -28.540 22.887 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 11.497 -27.414 23.609 1.00 32.50 O ATOM 0 H GLU A 86 12.835 -26.593 19.664 1.00 11.24 H new ATOM 0 HA GLU A 86 11.961 -28.947 21.052 1.00 2.30 H new ATOM 0 HB2 GLU A 86 10.576 -26.794 19.416 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.705 -28.123 20.155 1.00 32.11 H new ATOM 0 HG2 GLU A 86 11.334 -26.002 21.590 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.589 -26.156 21.583 1.00 10.02 H new ATOM 1382 N TYR A 87 12.321 -29.071 17.856 1.00 13.33 N ATOM 1383 CA TYR A 87 12.241 -29.927 16.678 1.00 62.40 C ATOM 1384 C TYR A 87 12.650 -31.358 17.016 1.00 30.01 C ATOM 1385 O TYR A 87 13.079 -31.645 18.133 1.00 64.21 O ATOM 1386 CB TYR A 87 13.132 -29.380 15.562 1.00 41.24 C ATOM 1387 CG TYR A 87 12.532 -28.202 14.830 1.00 51.15 C ATOM 1388 CD1 TYR A 87 11.202 -28.215 14.426 1.00 4.14 C ATOM 1389 CD2 TYR A 87 13.292 -27.076 14.541 1.00 24.43 C ATOM 1390 CE1 TYR A 87 10.648 -27.141 13.756 1.00 10.23 C ATOM 1391 CE2 TYR A 87 12.747 -25.997 13.873 1.00 41.22 C ATOM 1392 CZ TYR A 87 11.425 -26.034 13.482 1.00 73.33 C ATOM 1393 OH TYR A 87 10.878 -24.962 12.816 1.00 33.41 O ATOM 0 H TYR A 87 12.912 -28.248 17.740 1.00 13.33 H new ATOM 0 HA TYR A 87 11.206 -29.935 16.336 1.00 62.40 H new ATOM 0 HB2 TYR A 87 14.091 -29.083 15.987 1.00 41.24 H new ATOM 0 HB3 TYR A 87 13.334 -30.177 14.846 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.591 -29.080 14.640 1.00 4.14 H new ATOM 0 HD2 TYR A 87 14.328 -27.044 14.844 1.00 24.43 H new ATOM 0 HE1 TYR A 87 9.613 -27.168 13.449 1.00 10.23 H new ATOM 0 HE2 TYR A 87 13.353 -25.129 13.658 1.00 41.22 H new ATOM 0 HH TYR A 87 11.324 -24.137 13.101 1.00 33.41 H new ATOM 1403 N MET A 88 12.515 -32.251 16.041 1.00 30.33 N ATOM 1404 CA MET A 88 12.871 -33.652 16.233 1.00 15.53 C ATOM 1405 C MET A 88 12.975 -34.375 14.894 1.00 10.42 C ATOM 1406 O MET A 88 12.249 -34.063 13.951 1.00 24.25 O ATOM 1407 CB MET A 88 11.837 -34.346 17.122 1.00 14.22 C ATOM 1408 CG MET A 88 12.299 -35.694 17.652 1.00 4.24 C ATOM 1409 SD MET A 88 13.364 -35.544 19.098 1.00 21.05 S ATOM 1410 CE MET A 88 14.886 -36.252 18.473 1.00 34.51 C ATOM 0 H MET A 88 12.162 -32.029 15.110 1.00 30.33 H new ATOM 0 HA MET A 88 13.844 -33.690 16.723 1.00 15.53 H new ATOM 0 HB2 MET A 88 11.599 -33.696 17.964 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.916 -34.484 16.555 1.00 14.22 H new ATOM 0 HG2 MET A 88 11.428 -36.297 17.908 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.834 -36.225 16.865 1.00 4.24 H new ATOM 0 HE1 MET A 88 15.645 -36.230 19.255 1.00 34.51 H new ATOM 0 HE2 MET A 88 14.709 -37.283 18.167 1.00 34.51 H new ATOM 0 HE3 MET A 88 15.231 -35.674 17.616 1.00 34.51 H new ATOM 1420 N VAL A 89 13.884 -35.342 14.818 1.00 2.14 N ATOM 1421 CA VAL A 89 14.083 -36.110 13.595 1.00 32.25 C ATOM 1422 C VAL A 89 12.763 -36.669 13.076 1.00 31.51 C ATOM 1423 O VAL A 89 12.035 -37.345 13.803 1.00 22.02 O ATOM 1424 CB VAL A 89 15.069 -37.272 13.816 1.00 43.25 C ATOM 1425 CG1 VAL A 89 15.261 -38.061 12.530 1.00 5.33 C ATOM 1426 CG2 VAL A 89 16.400 -36.750 14.334 1.00 64.13 C ATOM 0 H VAL A 89 14.494 -35.612 15.589 1.00 2.14 H new ATOM 0 HA VAL A 89 14.500 -35.426 12.856 1.00 32.25 H new ATOM 0 HB VAL A 89 14.651 -37.942 14.567 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.961 -38.878 12.705 1.00 5.33 H new ATOM 0 HG12 VAL A 89 14.303 -38.467 12.206 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.657 -37.404 11.756 1.00 5.33 H new ATOM 0 HG21 VAL A 89 17.085 -37.585 14.485 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.826 -36.057 13.608 1.00 64.13 H new ATOM 0 HG23 VAL A 89 16.244 -36.233 15.281 1.00 64.13 H new ATOM 1436 N GLY A 90 12.460 -36.383 11.814 1.00 61.31 N ATOM 1437 CA GLY A 90 11.227 -36.865 11.219 1.00 5.34 C ATOM 1438 C GLY A 90 10.252 -35.745 10.917 1.00 73.20 C ATOM 1439 O GLY A 90 9.325 -35.916 10.124 1.00 73.05 O ATOM 0 H GLY A 90 13.046 -35.826 11.193 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.457 -37.400 10.298 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.757 -37.580 11.894 1.00 5.34 H new ATOM 1443 N ASP A 91 10.458 -34.596 11.551 1.00 14.12 N ATOM 1444 CA ASP A 91 9.589 -33.443 11.347 1.00 22.15 C ATOM 1445 C ASP A 91 10.109 -32.565 10.213 1.00 32.31 C ATOM 1446 O ASP A 91 11.017 -32.954 9.479 1.00 53.31 O ATOM 1447 CB ASP A 91 9.483 -32.624 12.634 1.00 12.13 C ATOM 1448 CG ASP A 91 8.065 -32.161 12.911 1.00 44.21 C ATOM 1449 OD1 ASP A 91 7.157 -33.018 12.933 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.865 -30.944 13.104 1.00 3.14 O ATOM 0 H ASP A 91 11.220 -34.438 12.211 1.00 14.12 H new ATOM 0 HA ASP A 91 8.599 -33.809 11.075 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.837 -33.223 13.473 1.00 12.13 H new ATOM 0 HB3 ASP A 91 10.138 -31.756 12.564 1.00 12.13 H new ATOM 1455 N VAL A 92 9.524 -31.379 10.073 1.00 31.51 N ATOM 1456 CA VAL A 92 9.927 -30.446 9.028 1.00 42.33 C ATOM 1457 C VAL A 92 10.043 -29.027 9.573 1.00 75.52 C ATOM 1458 O VAL A 92 9.324 -28.644 10.496 1.00 53.31 O ATOM 1459 CB VAL A 92 8.932 -30.454 7.853 1.00 41.12 C ATOM 1460 CG1 VAL A 92 9.115 -31.704 7.006 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.503 -30.353 8.367 1.00 61.45 C ATOM 0 H VAL A 92 8.769 -31.042 10.671 1.00 31.51 H new ATOM 0 HA VAL A 92 10.902 -30.775 8.669 1.00 42.33 H new ATOM 0 HB VAL A 92 9.131 -29.586 7.224 1.00 41.12 H new ATOM 0 HG11 VAL A 92 8.403 -31.692 6.181 1.00 55.14 H new ATOM 0 HG12 VAL A 92 10.130 -31.729 6.609 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.943 -32.588 7.620 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.812 -30.360 7.524 1.00 61.45 H new ATOM 0 HG22 VAL A 92 7.290 -31.201 9.018 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.383 -29.426 8.927 1.00 61.45 H new ATOM 1471 N VAL A 93 10.953 -28.249 8.995 1.00 53.22 N ATOM 1472 CA VAL A 93 11.162 -26.870 9.422 1.00 1.40 C ATOM 1473 C VAL A 93 11.091 -25.912 8.238 1.00 13.54 C ATOM 1474 O VAL A 93 11.637 -26.188 7.170 1.00 42.32 O ATOM 1475 CB VAL A 93 12.521 -26.700 10.126 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.651 -27.171 9.224 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.727 -25.251 10.541 1.00 1.50 C ATOM 0 H VAL A 93 11.557 -28.550 8.230 1.00 53.22 H new ATOM 0 HA VAL A 93 10.365 -26.632 10.126 1.00 1.40 H new ATOM 0 HB VAL A 93 12.526 -27.316 11.025 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.604 -27.043 9.738 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.508 -28.224 8.981 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.652 -26.584 8.306 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.692 -25.148 11.037 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.703 -24.613 9.658 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.933 -24.952 11.226 1.00 1.50 H new ATOM 1487 N GLU A 94 10.414 -24.785 8.435 1.00 63.33 N ATOM 1488 CA GLU A 94 10.272 -23.786 7.383 1.00 13.04 C ATOM 1489 C GLU A 94 11.103 -22.545 7.695 1.00 14.14 C ATOM 1490 O GLU A 94 11.113 -22.059 8.827 1.00 22.33 O ATOM 1491 CB GLU A 94 8.802 -23.399 7.211 1.00 72.23 C ATOM 1492 CG GLU A 94 8.036 -24.315 6.271 1.00 51.42 C ATOM 1493 CD GLU A 94 7.087 -25.241 7.005 1.00 45.35 C ATOM 1494 OE1 GLU A 94 7.452 -25.722 8.098 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.977 -25.485 6.486 1.00 11.44 O1- ATOM 0 H GLU A 94 9.956 -24.541 9.313 1.00 63.33 H new ATOM 0 HA GLU A 94 10.637 -24.222 6.453 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.317 -23.406 8.187 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.746 -22.378 6.835 1.00 72.23 H new ATOM 0 HG2 GLU A 94 7.472 -23.711 5.561 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.743 -24.909 5.693 1.00 51.42 H new ATOM 1502 N ILE A 95 11.800 -22.038 6.684 1.00 43.41 N ATOM 1503 CA ILE A 95 12.634 -20.853 6.850 1.00 24.11 C ATOM 1504 C ILE A 95 12.411 -19.860 5.715 1.00 51.42 C ATOM 1505 O ILE A 95 12.263 -20.249 4.557 1.00 43.44 O ATOM 1506 CB ILE A 95 14.128 -21.221 6.909 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.350 -22.395 7.865 1.00 21.22 C ATOM 1508 CG2 ILE A 95 14.954 -20.017 7.339 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.279 -23.746 7.189 1.00 4.40 C ATOM 0 H ILE A 95 11.804 -22.429 5.742 1.00 43.41 H new ATOM 0 HA ILE A 95 12.344 -20.392 7.794 1.00 24.11 H new ATOM 0 HB ILE A 95 14.452 -21.522 5.913 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.325 -22.286 8.341 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.602 -22.354 8.657 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.008 -20.293 7.376 1.00 24.14 H new ATOM 0 HG22 ILE A 95 14.816 -19.207 6.623 1.00 24.14 H new ATOM 0 HG23 ILE A 95 14.630 -19.688 8.326 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.446 -24.531 7.927 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.296 -23.875 6.737 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.045 -23.807 6.416 1.00 4.40 H new ATOM 1521 N GLU A 96 12.389 -18.575 6.056 1.00 15.41 N ATOM 1522 CA GLU A 96 12.185 -17.526 5.064 1.00 4.20 C ATOM 1523 C GLU A 96 13.196 -17.646 3.928 1.00 3.25 C ATOM 1524 O GLU A 96 14.406 -17.606 4.151 1.00 21.32 O ATOM 1525 CB GLU A 96 12.297 -16.147 5.717 1.00 33.11 C ATOM 1526 CG GLU A 96 13.602 -15.933 6.466 1.00 44.11 C ATOM 1527 CD GLU A 96 13.562 -14.718 7.373 1.00 24.12 C ATOM 1528 OE1 GLU A 96 13.145 -14.863 8.540 1.00 64.34 O ATOM 1529 OE2 GLU A 96 13.950 -13.623 6.915 1.00 23.44 O1- ATOM 0 H GLU A 96 12.510 -18.236 7.010 1.00 15.41 H new ATOM 0 HA GLU A 96 11.184 -17.644 4.650 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.199 -15.381 4.948 1.00 33.11 H new ATOM 0 HB3 GLU A 96 11.465 -16.013 6.408 1.00 33.11 H new ATOM 0 HG2 GLU A 96 13.824 -16.819 7.061 1.00 44.11 H new ATOM 0 HG3 GLU A 96 14.414 -15.819 5.748 1.00 44.11 H new ATOM 1536 N VAL A 97 12.691 -17.796 2.708 1.00 52.41 N ATOM 1537 CA VAL A 97 13.549 -17.923 1.535 1.00 41.24 C ATOM 1538 C VAL A 97 13.062 -17.030 0.399 1.00 64.02 C ATOM 1539 O VAL A 97 13.418 -17.234 -0.762 1.00 40.42 O ATOM 1540 CB VAL A 97 13.611 -19.379 1.039 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.360 -19.727 0.246 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.862 -19.605 0.204 1.00 14.33 C ATOM 0 H VAL A 97 11.692 -17.833 2.506 1.00 52.41 H new ATOM 0 HA VAL A 97 14.548 -17.608 1.838 1.00 41.24 H new ATOM 0 HB VAL A 97 13.657 -20.038 1.906 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.422 -20.760 -0.096 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.482 -19.607 0.881 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.279 -19.064 -0.615 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.889 -20.640 -0.138 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.849 -18.938 -0.658 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.745 -19.400 0.809 1.00 14.33 H new ATOM 1552 N THR A 98 12.245 -16.039 0.740 1.00 74.11 N ATOM 1553 CA THR A 98 11.707 -15.115 -0.250 1.00 21.42 C ATOM 1554 C THR A 98 12.738 -14.060 -0.634 1.00 23.55 C ATOM 1555 O THR A 98 13.470 -13.537 0.208 1.00 72.05 O ATOM 1556 CB THR A 98 10.437 -14.412 0.267 1.00 64.13 C ATOM 1557 OG1 THR A 98 9.796 -13.710 -0.803 1.00 65.23 O ATOM 1558 CG2 THR A 98 10.776 -13.440 1.387 1.00 33.24 C ATOM 0 H THR A 98 11.941 -15.856 1.696 1.00 74.11 H new ATOM 0 HA THR A 98 11.452 -15.707 -1.129 1.00 21.42 H new ATOM 0 HB THR A 98 9.761 -15.172 0.658 1.00 64.13 H new ATOM 0 HG1 THR A 98 8.989 -13.267 -0.467 1.00 65.23 H new ATOM 0 HG21 THR A 98 9.864 -12.955 1.736 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.238 -13.982 2.212 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.469 -12.685 1.016 1.00 33.24 H new ATOM 1566 N PRO A 99 12.799 -13.736 -1.934 1.00 61.42 N ATOM 1567 CA PRO A 99 13.737 -12.738 -2.459 1.00 22.35 C ATOM 1568 C PRO A 99 13.380 -11.322 -2.022 1.00 21.13 C ATOM 1569 O PRO A 99 12.230 -11.035 -1.688 1.00 4.33 O ATOM 1570 CB PRO A 99 13.595 -12.882 -3.976 1.00 33.45 C ATOM 1571 CG PRO A 99 12.226 -13.434 -4.178 1.00 23.31 C ATOM 1572 CD PRO A 99 11.957 -14.318 -2.993 1.00 75.43 C ATOM 0 HA PRO A 99 14.752 -12.900 -2.095 1.00 22.35 H new ATOM 0 HB2 PRO A 99 13.712 -11.921 -4.477 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.355 -13.549 -4.383 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.488 -12.634 -4.243 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.167 -13.999 -5.108 1.00 23.31 H new ATOM 0 HD2 PRO A 99 10.902 -14.310 -2.717 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.226 -15.355 -3.196 1.00 75.43 H new ATOM 1580 N LYS A 100 14.373 -10.439 -2.026 1.00 1.34 N ATOM 1581 CA LYS A 100 14.164 -9.051 -1.632 1.00 31.23 C ATOM 1582 C LYS A 100 13.452 -8.273 -2.734 1.00 11.53 C ATOM 1583 O LYS A 100 13.105 -7.105 -2.558 1.00 43.02 O ATOM 1584 CB LYS A 100 15.503 -8.384 -1.307 1.00 14.02 C ATOM 1585 CG LYS A 100 15.901 -8.498 0.154 1.00 13.24 C ATOM 1586 CD LYS A 100 16.843 -7.378 0.565 1.00 51.30 C ATOM 1587 CE LYS A 100 17.175 -7.445 2.047 1.00 60.13 C ATOM 1588 NZ LYS A 100 18.516 -6.868 2.341 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.331 -10.660 -2.298 1.00 1.34 H new ATOM 0 HA LYS A 100 13.535 -9.044 -0.742 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.282 -8.833 -1.923 1.00 14.02 H new ATOM 0 HB3 LYS A 100 15.450 -7.330 -1.579 1.00 14.02 H new ATOM 0 HG2 LYS A 100 15.008 -8.471 0.778 1.00 13.24 H new ATOM 0 HG3 LYS A 100 16.382 -9.461 0.327 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.762 -7.442 -0.018 1.00 51.30 H new ATOM 0 HD3 LYS A 100 16.387 -6.415 0.336 1.00 51.30 H new ATOM 0 HE2 LYS A 100 16.416 -6.907 2.614 1.00 60.13 H new ATOM 0 HE3 LYS A 100 17.145 -8.483 2.379 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 18.705 -6.932 3.362 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.244 -7.398 1.820 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 18.537 -5.871 2.047 1.00 62.04 H new ATOM 1602 N ASP A 101 13.235 -8.929 -3.869 1.00 23.32 N ATOM 1603 CA ASP A 101 12.561 -8.301 -4.999 1.00 41.13 C ATOM 1604 C ASP A 101 11.164 -8.882 -5.191 1.00 43.12 C ATOM 1605 O ASP A 101 10.479 -8.571 -6.166 1.00 15.43 O ATOM 1606 CB ASP A 101 13.382 -8.483 -6.276 1.00 64.01 C ATOM 1607 CG ASP A 101 14.665 -7.675 -6.259 1.00 62.02 C ATOM 1608 OD1 ASP A 101 14.596 -6.448 -6.480 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 15.739 -8.270 -6.026 1.00 12.30 O ATOM 0 H ASP A 101 13.516 -9.896 -4.031 1.00 23.32 H new ATOM 0 HA ASP A 101 12.466 -7.236 -4.786 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.622 -9.539 -6.403 1.00 64.01 H new ATOM 0 HB3 ASP A 101 12.781 -8.187 -7.136 1.00 64.01 H new ATOM 1614 N PHE A 102 10.747 -9.728 -4.255 1.00 61.52 N ATOM 1615 CA PHE A 102 9.433 -10.356 -4.322 1.00 41.25 C ATOM 1616 C PHE A 102 8.327 -9.326 -4.107 1.00 61.03 C ATOM 1617 O PHE A 102 7.182 -9.537 -4.502 1.00 73.03 O ATOM 1618 CB PHE A 102 9.320 -11.467 -3.276 1.00 42.23 C ATOM 1619 CG PHE A 102 8.671 -12.718 -3.797 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.137 -13.325 -4.952 1.00 34.02 C ATOM 1621 CD2 PHE A 102 7.596 -13.284 -3.133 1.00 61.34 C ATOM 1622 CE1 PHE A 102 8.542 -14.476 -5.434 1.00 50.23 C ATOM 1623 CE2 PHE A 102 6.998 -14.436 -3.610 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.471 -15.031 -4.763 1.00 15.23 C ATOM 0 H PHE A 102 11.300 -9.995 -3.441 1.00 61.52 H new ATOM 0 HA PHE A 102 9.316 -10.789 -5.315 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.316 -11.711 -2.908 1.00 42.23 H new ATOM 0 HB3 PHE A 102 8.747 -11.097 -2.425 1.00 42.23 H new ATOM 0 HD1 PHE A 102 9.974 -12.894 -5.481 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.220 -12.821 -2.233 1.00 61.34 H new ATOM 0 HE1 PHE A 102 8.915 -14.941 -6.335 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.162 -14.870 -3.081 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.004 -15.929 -5.139 1.00 15.23 H new ATOM 1634 N GLY A 103 8.680 -8.210 -3.476 1.00 33.20 N ATOM 1635 CA GLY A 103 7.709 -7.164 -3.218 1.00 14.33 C ATOM 1636 C GLY A 103 6.928 -6.779 -4.459 1.00 14.11 C ATOM 1637 O GLY A 103 5.697 -6.760 -4.447 1.00 52.21 O ATOM 0 H GLY A 103 9.622 -8.012 -3.139 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.016 -7.498 -2.446 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.222 -6.285 -2.828 1.00 14.33 H new ATOM 1641 N ARG A 104 7.646 -6.467 -5.534 1.00 11.41 N ATOM 1642 CA ARG A 104 7.013 -6.077 -6.788 1.00 21.11 C ATOM 1643 C ARG A 104 6.507 -7.302 -7.545 1.00 54.21 C ATOM 1644 O ARG A 104 5.419 -7.281 -8.122 1.00 35.02 O ATOM 1645 CB ARG A 104 7.999 -5.297 -7.659 1.00 50.22 C ATOM 1646 CG ARG A 104 9.281 -6.055 -7.959 1.00 72.45 C ATOM 1647 CD ARG A 104 9.254 -6.669 -9.349 1.00 22.14 C ATOM 1648 NE ARG A 104 10.577 -6.688 -9.965 1.00 50.51 N ATOM 1649 CZ ARG A 104 11.191 -5.602 -10.422 1.00 32.33 C ATOM 1650 NH1 ARG A 104 10.603 -4.417 -10.332 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 12.395 -5.699 -10.971 1.00 63.54 N ATOM 0 H ARG A 104 8.666 -6.477 -5.561 1.00 11.41 H new ATOM 0 HA ARG A 104 6.161 -5.439 -6.554 1.00 21.11 H new ATOM 0 HB2 ARG A 104 7.513 -5.037 -8.599 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.249 -4.361 -7.160 1.00 50.22 H new ATOM 0 HG2 ARG A 104 10.132 -5.379 -7.875 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.423 -6.840 -7.216 1.00 72.45 H new ATOM 0 HD2 ARG A 104 8.868 -7.687 -9.288 1.00 22.14 H new ATOM 0 HD3 ARG A 104 8.568 -6.105 -9.981 1.00 22.14 H new ATOM 0 HE ARG A 104 11.057 -7.584 -10.049 1.00 50.51 H new ATOM 0 HH11 ARG A 104 9.677 -4.338 -9.911 1.00 65.42 H new ATOM 0 HH12 ARG A 104 11.076 -3.585 -10.684 1.00 65.42 H new ATOM 0 HH21 ARG A 104 12.851 -6.609 -11.043 1.00 63.54 H new ATOM 0 HH22 ARG A 104 12.865 -4.864 -11.321 1.00 63.54 H new ATOM 1665 N ILE A 105 7.303 -8.365 -7.540 1.00 74.15 N ATOM 1666 CA ILE A 105 6.935 -9.597 -8.226 1.00 51.42 C ATOM 1667 C ILE A 105 5.554 -10.076 -7.793 1.00 31.22 C ATOM 1668 O ILE A 105 4.767 -10.553 -8.610 1.00 32.23 O ATOM 1669 CB ILE A 105 7.960 -10.717 -7.961 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.346 -10.295 -8.453 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.522 -12.007 -8.637 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.467 -11.154 -7.910 1.00 51.01 C ATOM 0 H ILE A 105 8.207 -8.398 -7.069 1.00 74.15 H new ATOM 0 HA ILE A 105 6.922 -9.372 -9.292 1.00 51.42 H new ATOM 0 HB ILE A 105 8.014 -10.894 -6.887 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.364 -10.334 -9.542 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.523 -9.258 -8.169 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.256 -12.788 -8.440 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.553 -12.313 -8.244 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.443 -11.846 -9.712 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.420 -10.798 -8.300 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.476 -11.095 -6.822 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.314 -12.189 -8.216 1.00 51.01 H new ATOM 1684 N ALA A 106 5.265 -9.943 -6.502 1.00 52.13 N ATOM 1685 CA ALA A 106 3.977 -10.359 -5.962 1.00 0.32 C ATOM 1686 C ALA A 106 2.827 -9.686 -6.704 1.00 11.13 C ATOM 1687 O ALA A 106 1.819 -10.321 -7.013 1.00 42.22 O ATOM 1688 CB ALA A 106 3.903 -10.044 -4.475 1.00 60.32 C ATOM 0 H ALA A 106 5.905 -9.551 -5.812 1.00 52.13 H new ATOM 0 HA ALA A 106 3.883 -11.436 -6.100 1.00 0.32 H new ATOM 0 HB1 ALA A 106 2.936 -10.360 -4.084 1.00 60.32 H new ATOM 0 HB2 ALA A 106 4.697 -10.575 -3.951 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.023 -8.971 -4.324 1.00 60.32 H new ATOM 1694 N ALA A 107 2.984 -8.398 -6.987 1.00 54.24 N ATOM 1695 CA ALA A 107 1.960 -7.640 -7.694 1.00 40.42 C ATOM 1696 C ALA A 107 1.915 -8.022 -9.170 1.00 61.51 C ATOM 1697 O ALA A 107 0.839 -8.180 -9.746 1.00 62.23 O ATOM 1698 CB ALA A 107 2.208 -6.146 -7.541 1.00 41.43 C ATOM 0 H ALA A 107 3.812 -7.857 -6.737 1.00 54.24 H new ATOM 0 HA ALA A 107 0.994 -7.884 -7.253 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.435 -5.592 -8.074 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.182 -5.879 -6.484 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.185 -5.895 -7.954 1.00 41.43 H new ATOM 1704 N GLN A 108 3.090 -8.169 -9.775 1.00 63.24 N ATOM 1705 CA GLN A 108 3.183 -8.532 -11.183 1.00 24.31 C ATOM 1706 C GLN A 108 2.601 -9.920 -11.428 1.00 33.31 C ATOM 1707 O GLN A 108 2.048 -10.196 -12.493 1.00 5.33 O ATOM 1708 CB GLN A 108 4.639 -8.486 -11.649 1.00 74.24 C ATOM 1709 CG GLN A 108 4.824 -8.867 -13.109 1.00 10.13 C ATOM 1710 CD GLN A 108 6.245 -8.659 -13.590 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.203 -9.066 -12.930 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.393 -8.024 -14.747 1.00 30.20 N ATOM 0 H GLN A 108 3.990 -8.042 -9.312 1.00 63.24 H new ATOM 0 HA GLN A 108 2.603 -7.809 -11.757 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.030 -7.481 -11.492 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.231 -9.159 -11.029 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.548 -9.912 -13.246 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.146 -8.275 -13.724 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.573 -7.704 -15.261 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.327 -7.857 -15.121 1.00 30.20 H new ATOM 1721 N THR A 109 2.730 -10.794 -10.435 1.00 14.35 N ATOM 1722 CA THR A 109 2.219 -12.155 -10.541 1.00 1.22 C ATOM 1723 C THR A 109 0.746 -12.221 -10.156 1.00 5.53 C ATOM 1724 O THR A 109 -0.017 -13.009 -10.716 1.00 22.25 O ATOM 1725 CB THR A 109 3.015 -13.126 -9.648 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.416 -12.852 -9.756 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.743 -14.570 -10.044 1.00 43.12 C ATOM 0 H THR A 109 3.185 -10.583 -9.547 1.00 14.35 H new ATOM 0 HA THR A 109 2.333 -12.455 -11.583 1.00 1.22 H new ATOM 0 HB THR A 109 2.696 -12.982 -8.616 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.655 -12.124 -9.145 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.315 -15.238 -9.400 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.680 -14.783 -9.934 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.039 -14.725 -11.082 1.00 43.12 H new ATOM 1735 N ALA A 110 0.351 -11.388 -9.199 1.00 1.34 N ATOM 1736 CA ALA A 110 -1.033 -11.350 -8.741 1.00 65.20 C ATOM 1737 C ALA A 110 -1.931 -10.666 -9.766 1.00 34.15 C ATOM 1738 O ALA A 110 -3.059 -11.098 -10.005 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.125 -10.641 -7.398 1.00 42.13 C ATOM 0 H ALA A 110 0.970 -10.730 -8.725 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.379 -12.377 -8.621 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.164 -10.620 -7.068 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.522 -11.174 -6.663 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.756 -9.620 -7.499 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.425 -9.597 -10.370 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.181 -8.852 -11.369 1.00 13.33 C ATOM 1747 C LYS A 111 -2.448 -9.712 -12.600 1.00 33.32 C ATOM 1748 O LYS A 111 -3.529 -9.654 -13.186 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.422 -7.586 -11.773 1.00 20.42 C ATOM 1750 CG LYS A 111 -0.099 -7.864 -12.464 1.00 74.20 C ATOM 1751 CD LYS A 111 -0.254 -7.894 -13.975 1.00 34.11 C ATOM 1752 CE LYS A 111 0.803 -7.044 -14.662 1.00 74.34 C ATOM 1753 NZ LYS A 111 0.506 -6.848 -16.108 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.493 -9.227 -10.185 1.00 4.43 H new ATOM 0 HA LYS A 111 -3.138 -8.570 -10.929 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -2.051 -6.992 -12.436 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.238 -6.983 -10.883 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.625 -7.098 -12.187 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.299 -8.818 -12.119 1.00 74.20 H new ATOM 0 HD2 LYS A 111 -0.181 -8.922 -14.329 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -1.246 -7.533 -14.247 1.00 34.11 H new ATOM 0 HE2 LYS A 111 0.865 -6.074 -14.169 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.778 -7.519 -14.553 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 1.250 -6.263 -16.539 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 0.472 -7.772 -16.584 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 -0.412 -6.371 -16.212 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.456 -10.508 -12.987 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.586 -11.380 -14.149 1.00 10.21 C ATOM 1769 C GLN A 112 -2.512 -12.553 -13.848 1.00 0.31 C ATOM 1770 O GLN A 112 -3.221 -13.040 -14.729 1.00 14.34 O ATOM 1771 CB GLN A 112 -0.212 -11.897 -14.580 1.00 41.41 C ATOM 1772 CG GLN A 112 0.485 -12.732 -13.518 1.00 33.01 C ATOM 1773 CD GLN A 112 1.764 -13.370 -14.023 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.741 -12.680 -14.317 1.00 53.14 O ATOM 1775 NE2 GLN A 112 1.764 -14.693 -14.128 1.00 73.33 N ATOM 0 H GLN A 112 -0.554 -10.567 -12.514 1.00 52.54 H new ATOM 0 HA GLN A 112 -2.020 -10.798 -14.962 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.325 -12.495 -15.484 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.422 -11.048 -14.837 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.713 -12.102 -12.658 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.193 -13.512 -13.172 1.00 33.01 H new ATOM 0 HE21 GLN A 112 0.932 -15.225 -13.873 1.00 73.33 H new ATOM 0 HE22 GLN A 112 2.596 -15.178 -14.464 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.502 -13.004 -12.598 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.342 -14.120 -12.180 1.00 53.54 C ATOM 1786 C VAL A 113 -4.811 -13.715 -12.132 1.00 33.44 C ATOM 1787 O VAL A 113 -5.658 -14.333 -12.774 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.923 -14.652 -10.797 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -4.015 -15.532 -10.209 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.609 -15.414 -10.896 1.00 71.43 C ATOM 0 H VAL A 113 -1.921 -12.613 -11.856 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.209 -14.909 -12.920 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.776 -13.803 -10.130 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.700 -15.898 -9.232 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.931 -14.952 -10.101 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.197 -16.378 -10.872 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.327 -15.783 -9.910 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.727 -16.256 -11.578 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.830 -14.750 -11.271 1.00 71.43 H new ATOM 1800 N VAL A 114 -5.105 -12.669 -11.365 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.472 -12.179 -11.233 1.00 44.31 C ATOM 1802 C VAL A 114 -7.071 -11.847 -12.596 1.00 24.40 C ATOM 1803 O VAL A 114 -8.262 -12.054 -12.831 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.535 -10.927 -10.338 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -6.116 -11.265 -8.917 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.664 -9.819 -10.912 1.00 62.43 C ATOM 0 H VAL A 114 -4.415 -12.145 -10.826 1.00 62.31 H new ATOM 0 HA VAL A 114 -7.051 -12.978 -10.770 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.565 -10.571 -10.311 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -6.167 -10.368 -8.300 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.785 -12.023 -8.511 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -5.095 -11.646 -8.920 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.720 -8.942 -10.268 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.631 -10.162 -10.970 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -6.017 -9.559 -11.910 1.00 62.43 H new ATOM 1816 N THR A 115 -6.236 -11.330 -13.493 1.00 11.13 N ATOM 1817 CA THR A 115 -6.682 -10.969 -14.832 1.00 33.11 C ATOM 1818 C THR A 115 -6.981 -12.210 -15.665 1.00 25.41 C ATOM 1819 O THR A 115 -7.824 -12.178 -16.562 1.00 0.53 O ATOM 1820 CB THR A 115 -5.629 -10.115 -15.564 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.390 -8.904 -14.837 1.00 20.24 O ATOM 1822 CG2 THR A 115 -6.087 -9.784 -16.976 1.00 72.31 C ATOM 0 H THR A 115 -5.247 -11.152 -13.315 1.00 11.13 H new ATOM 0 HA THR A 115 -7.595 -10.385 -14.714 1.00 33.11 H new ATOM 0 HB THR A 115 -4.705 -10.690 -15.625 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.716 -9.066 -14.145 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.327 -9.181 -17.473 1.00 72.31 H new ATOM 0 HG22 THR A 115 -6.240 -10.707 -17.535 1.00 72.31 H new ATOM 0 HG23 THR A 115 -7.023 -9.227 -16.934 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.286 -13.301 -15.363 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.478 -14.553 -16.086 1.00 54.01 C ATOM 1832 C GLN A 116 -7.810 -15.197 -15.715 1.00 61.15 C ATOM 1833 O GLN A 116 -8.590 -15.578 -16.587 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.331 -15.520 -15.789 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.084 -15.260 -16.619 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.872 -16.010 -16.103 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -2.862 -16.491 -14.970 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -1.842 -16.113 -16.934 1.00 23.42 N ATOM 0 H GLN A 116 -5.585 -13.344 -14.623 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.488 -14.329 -17.153 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.074 -15.452 -14.732 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.671 -16.540 -15.969 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.273 -15.550 -17.652 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.871 -14.191 -16.622 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -1.894 -15.699 -17.865 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -0.998 -16.607 -16.642 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.064 -15.314 -14.416 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.300 -15.913 -13.930 1.00 0.51 C ATOM 1849 C ARG A 117 -10.516 -15.207 -14.525 1.00 2.44 C ATOM 1850 O ARG A 117 -11.576 -15.812 -14.695 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.358 -15.849 -12.402 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.161 -16.491 -11.722 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.245 -18.009 -11.761 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.410 -18.512 -11.037 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.559 -19.781 -10.676 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.622 -20.672 -10.969 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -10.648 -20.161 -10.020 1.00 63.20 N ATOM 0 H ARG A 117 -7.429 -15.001 -13.681 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.316 -16.957 -14.244 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.425 -14.806 -12.092 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.268 -16.342 -12.060 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.244 -16.164 -12.212 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.106 -16.155 -10.686 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.291 -18.343 -12.798 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.339 -18.433 -11.329 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.149 -17.852 -10.796 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.784 -20.383 -11.473 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -8.740 -21.646 -10.690 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.371 -19.478 -9.793 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -10.762 -21.136 -9.743 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.355 -13.926 -14.839 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.439 -13.139 -15.415 1.00 4.21 C ATOM 1873 C VAL A 118 -11.910 -13.736 -16.736 1.00 14.31 C ATOM 1874 O VAL A 118 -13.090 -13.657 -17.079 1.00 21.50 O ATOM 1875 CB VAL A 118 -11.008 -11.678 -15.649 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -12.156 -10.870 -16.236 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.515 -11.054 -14.352 1.00 2.43 C ATOM 0 H VAL A 118 -9.485 -13.411 -14.704 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.260 -13.158 -14.698 1.00 4.21 H new ATOM 0 HB VAL A 118 -10.186 -11.670 -16.365 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.833 -9.841 -16.394 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.458 -11.306 -17.188 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -13.000 -10.883 -15.547 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -10.215 -10.022 -14.536 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.315 -11.073 -13.612 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.661 -11.619 -13.978 1.00 2.43 H new