USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 897 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 62 SER OG : rot 13:sc= 0.746 USER MOD Set 2.2: A 90 ASN : amide:sc= 0.085 K(o=0.83,f=-2.7!) USER MOD Single : A 1 SER N :NH3+ -178:sc= 0 (180deg=-0.00584) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00861 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 18:sc= 0.615 USER MOD Single : A 24 ASN : amide:sc= -0.0099 X(o=-0.0099,f=-0.0099) USER MOD Single : A 28 SER OG : rot -39:sc= 0.988 USER MOD Single : A 31 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 175:sc= 0 (180deg=-0.0396) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 2.32 (180deg=2.32) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -160:sc= 0.0602 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -90:sc= 1.22 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc=-0.00496 X(o=-0.005,f=-0.077) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot -37:sc= 0.847 USER MOD Single : A 100 THR OG1 : rot -42:sc= 0.00199 USER MOD Single : A 101 HIS : no HE2:sc= 0.583 K(o=0.58,f=-2!) USER MOD Single : A 106 THR OG1 : rot -54:sc= 1.23 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -53:sc= 1.28 USER MOD Single : A 119 GLN : amide:sc= 1.08 K(o=1.1,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.892 -4.213 13.461 1.00 2.13 N ATOM 2 CA SER A 1 18.203 -3.269 14.365 1.00 1.73 C ATOM 3 C SER A 1 18.025 -1.871 13.746 1.00 1.68 C ATOM 4 O SER A 1 17.026 -1.200 14.007 1.00 1.63 O ATOM 5 CB SER A 1 18.954 -3.152 15.696 1.00 1.95 C ATOM 6 OG SER A 1 18.564 -4.196 16.569 1.00 2.37 O ATOM 0 H1 SER A 1 18.954 -5.146 13.916 1.00 2.13 H new ATOM 0 H2 SER A 1 18.358 -4.295 12.573 1.00 2.13 H new ATOM 0 H3 SER A 1 19.850 -3.863 13.258 1.00 2.13 H new ATOM 0 HA SER A 1 17.208 -3.678 14.537 1.00 1.73 H new ATOM 0 HB2 SER A 1 20.029 -3.197 15.521 1.00 1.95 H new ATOM 0 HB3 SER A 1 18.746 -2.186 16.156 1.00 1.95 H new ATOM 0 HG SER A 1 19.051 -4.113 17.416 1.00 2.37 H new ATOM 12 N GLU A 2 18.939 -1.446 12.871 1.00 2.03 N ATOM 13 CA GLU A 2 18.788 -0.238 12.047 1.00 2.17 C ATOM 14 C GLU A 2 17.765 -0.463 10.913 1.00 2.00 C ATOM 15 O GLU A 2 16.946 0.407 10.610 1.00 1.90 O ATOM 16 CB GLU A 2 20.181 0.170 11.529 1.00 2.75 C ATOM 17 CG GLU A 2 20.232 1.597 10.971 1.00 3.18 C ATOM 18 CD GLU A 2 21.667 1.994 10.596 1.00 4.01 C ATOM 19 OE1 GLU A 2 22.224 1.412 9.631 1.00 4.04 O ATOM 20 OE2 GLU A 2 22.246 2.908 11.235 1.00 5.25 O ATOM 0 H GLU A 2 19.819 -1.936 12.710 1.00 2.03 H new ATOM 0 HA GLU A 2 18.387 0.582 12.642 1.00 2.17 H new ATOM 0 HB2 GLU A 2 20.903 0.080 12.341 1.00 2.75 H new ATOM 0 HB3 GLU A 2 20.489 -0.527 10.750 1.00 2.75 H new ATOM 0 HG2 GLU A 2 19.590 1.670 10.093 1.00 3.18 H new ATOM 0 HG3 GLU A 2 19.840 2.294 11.712 1.00 3.18 H new ATOM 27 N ALA A 3 17.721 -1.669 10.338 1.00 2.10 N ATOM 28 CA ALA A 3 16.715 -2.095 9.365 1.00 2.12 C ATOM 29 C ALA A 3 15.311 -2.288 9.976 1.00 1.65 C ATOM 30 O ALA A 3 14.317 -2.185 9.256 1.00 1.55 O ATOM 31 CB ALA A 3 17.212 -3.377 8.690 1.00 2.68 C ATOM 0 H ALA A 3 18.406 -2.396 10.544 1.00 2.10 H new ATOM 0 HA ALA A 3 16.594 -1.300 8.630 1.00 2.12 H new ATOM 0 HB1 ALA A 3 16.476 -3.713 7.960 1.00 2.68 H new ATOM 0 HB2 ALA A 3 18.159 -3.180 8.187 1.00 2.68 H new ATOM 0 HB3 ALA A 3 17.356 -4.152 9.443 1.00 2.68 H new ATOM 37 N LEU A 4 15.199 -2.487 11.295 1.00 1.51 N ATOM 38 CA LEU A 4 13.918 -2.512 12.018 1.00 1.32 C ATOM 39 C LEU A 4 13.221 -1.139 11.961 1.00 1.06 C ATOM 40 O LEU A 4 12.000 -1.075 11.846 1.00 1.16 O ATOM 41 CB LEU A 4 14.192 -2.981 13.462 1.00 1.37 C ATOM 42 CG LEU A 4 12.967 -3.270 14.344 1.00 1.56 C ATOM 43 CD1 LEU A 4 12.219 -4.509 13.876 1.00 1.98 C ATOM 44 CD2 LEU A 4 13.417 -3.545 15.783 1.00 1.95 C ATOM 0 H LEU A 4 16.006 -2.637 11.900 1.00 1.51 H new ATOM 0 HA LEU A 4 13.228 -3.211 11.546 1.00 1.32 H new ATOM 0 HB2 LEU A 4 14.797 -3.886 13.415 1.00 1.37 H new ATOM 0 HB3 LEU A 4 14.795 -2.220 13.957 1.00 1.37 H new ATOM 0 HG LEU A 4 12.318 -2.397 14.282 1.00 1.56 H new ATOM 0 HD11 LEU A 4 11.359 -4.681 14.524 1.00 1.98 H new ATOM 0 HD12 LEU A 4 11.878 -4.363 12.851 1.00 1.98 H new ATOM 0 HD13 LEU A 4 12.883 -5.372 13.917 1.00 1.98 H new ATOM 0 HD21 LEU A 4 12.545 -3.749 16.404 1.00 1.95 H new ATOM 0 HD22 LEU A 4 14.083 -4.408 15.797 1.00 1.95 H new ATOM 0 HD23 LEU A 4 13.944 -2.674 16.172 1.00 1.95 H new ATOM 56 N ALA A 5 13.980 -0.034 11.920 1.00 1.00 N ATOM 57 CA ALA A 5 13.432 1.310 11.713 1.00 0.99 C ATOM 58 C ALA A 5 12.944 1.562 10.267 1.00 0.91 C ATOM 59 O ALA A 5 12.162 2.489 10.035 1.00 1.06 O ATOM 60 CB ALA A 5 14.498 2.330 12.130 1.00 1.27 C ATOM 0 H ALA A 5 14.994 -0.050 12.030 1.00 1.00 H new ATOM 0 HA ALA A 5 12.540 1.415 12.331 1.00 0.99 H new ATOM 0 HB1 ALA A 5 14.113 3.339 11.985 1.00 1.27 H new ATOM 0 HB2 ALA A 5 14.749 2.185 13.181 1.00 1.27 H new ATOM 0 HB3 ALA A 5 15.392 2.192 11.521 1.00 1.27 H new ATOM 66 N LYS A 6 13.365 0.736 9.291 1.00 0.78 N ATOM 67 CA LYS A 6 13.007 0.897 7.872 1.00 0.81 C ATOM 68 C LYS A 6 11.520 0.651 7.620 1.00 0.79 C ATOM 69 O LYS A 6 10.945 1.292 6.750 1.00 0.80 O ATOM 70 CB LYS A 6 13.906 -0.005 7.006 1.00 0.91 C ATOM 71 CG LYS A 6 13.860 0.353 5.511 1.00 1.12 C ATOM 72 CD LYS A 6 15.004 -0.310 4.727 1.00 1.40 C ATOM 73 CE LYS A 6 14.947 -1.839 4.767 1.00 2.17 C ATOM 74 NZ LYS A 6 16.132 -2.432 4.109 1.00 2.55 N ATOM 0 H LYS A 6 13.968 -0.068 9.468 1.00 0.78 H new ATOM 0 HA LYS A 6 13.184 1.934 7.586 1.00 0.81 H new ATOM 0 HB2 LYS A 6 14.934 0.070 7.360 1.00 0.91 H new ATOM 0 HB3 LYS A 6 13.600 -1.043 7.134 1.00 0.91 H new ATOM 0 HG2 LYS A 6 12.904 0.040 5.092 1.00 1.12 H new ATOM 0 HG3 LYS A 6 13.920 1.435 5.395 1.00 1.12 H new ATOM 0 HD2 LYS A 6 14.967 0.023 3.690 1.00 1.40 H new ATOM 0 HD3 LYS A 6 15.958 0.024 5.135 1.00 1.40 H new ATOM 0 HE2 LYS A 6 14.894 -2.177 5.802 1.00 2.17 H new ATOM 0 HE3 LYS A 6 14.040 -2.186 4.271 1.00 2.17 H new ATOM 0 HZ1 LYS A 6 16.069 -3.469 4.150 1.00 2.55 H new ATOM 0 HZ2 LYS A 6 16.167 -2.126 3.116 1.00 2.55 H new ATOM 0 HZ3 LYS A 6 16.994 -2.118 4.598 1.00 2.55 H new ATOM 88 N LEU A 7 10.872 -0.186 8.435 1.00 0.83 N ATOM 89 CA LEU A 7 9.419 -0.401 8.400 1.00 0.95 C ATOM 90 C LEU A 7 8.653 0.908 8.664 1.00 1.11 C ATOM 91 O LEU A 7 7.668 1.182 7.986 1.00 1.27 O ATOM 92 CB LEU A 7 9.033 -1.478 9.435 1.00 0.93 C ATOM 93 CG LEU A 7 9.270 -2.958 9.064 1.00 0.96 C ATOM 94 CD1 LEU A 7 8.391 -3.409 7.896 1.00 1.01 C ATOM 95 CD2 LEU A 7 10.724 -3.278 8.721 1.00 1.04 C ATOM 0 H LEU A 7 11.346 -0.741 9.147 1.00 0.83 H new ATOM 0 HA LEU A 7 9.142 -0.744 7.403 1.00 0.95 H new ATOM 0 HB2 LEU A 7 9.584 -1.272 10.353 1.00 0.93 H new ATOM 0 HB3 LEU A 7 7.974 -1.357 9.664 1.00 0.93 H new ATOM 0 HG LEU A 7 9.000 -3.506 9.967 1.00 0.96 H new ATOM 0 HD11 LEU A 7 8.593 -4.456 7.672 1.00 1.01 H new ATOM 0 HD12 LEU A 7 7.341 -3.291 8.164 1.00 1.01 H new ATOM 0 HD13 LEU A 7 8.612 -2.801 7.019 1.00 1.01 H new ATOM 0 HD21 LEU A 7 10.815 -4.335 8.471 1.00 1.04 H new ATOM 0 HD22 LEU A 7 11.038 -2.675 7.869 1.00 1.04 H new ATOM 0 HD23 LEU A 7 11.358 -3.052 9.578 1.00 1.04 H new ATOM 107 N ILE A 8 9.135 1.753 9.583 1.00 1.14 N ATOM 108 CA ILE A 8 8.540 3.073 9.859 1.00 1.31 C ATOM 109 C ILE A 8 8.781 4.040 8.689 1.00 1.18 C ATOM 110 O ILE A 8 7.870 4.757 8.266 1.00 1.20 O ATOM 111 CB ILE A 8 9.078 3.650 11.187 1.00 1.50 C ATOM 112 CG1 ILE A 8 8.837 2.716 12.394 1.00 1.81 C ATOM 113 CG2 ILE A 8 8.489 5.045 11.456 1.00 1.62 C ATOM 114 CD1 ILE A 8 7.372 2.519 12.806 1.00 2.15 C ATOM 0 H ILE A 8 9.950 1.543 10.159 1.00 1.14 H new ATOM 0 HA ILE A 8 7.463 2.946 9.964 1.00 1.31 H new ATOM 0 HB ILE A 8 10.158 3.736 11.070 1.00 1.50 H new ATOM 0 HG12 ILE A 8 9.264 1.740 12.165 1.00 1.81 H new ATOM 0 HG13 ILE A 8 9.385 3.111 13.250 1.00 1.81 H new ATOM 0 HG21 ILE A 8 8.882 5.431 12.396 1.00 1.62 H new ATOM 0 HG22 ILE A 8 8.764 5.719 10.644 1.00 1.62 H new ATOM 0 HG23 ILE A 8 7.403 4.976 11.518 1.00 1.62 H new ATOM 0 HD11 ILE A 8 7.322 1.846 13.662 1.00 2.15 H new ATOM 0 HD12 ILE A 8 6.937 3.482 13.075 1.00 2.15 H new ATOM 0 HD13 ILE A 8 6.815 2.089 11.974 1.00 2.15 H new ATOM 126 N SER A 9 9.984 4.028 8.105 1.00 1.09 N ATOM 127 CA SER A 9 10.343 4.855 6.938 1.00 1.02 C ATOM 128 C SER A 9 9.596 4.454 5.658 1.00 1.01 C ATOM 129 O SER A 9 9.408 5.284 4.763 1.00 1.03 O ATOM 130 CB SER A 9 11.846 4.737 6.668 1.00 0.99 C ATOM 131 OG SER A 9 12.605 5.113 7.802 1.00 1.14 O ATOM 0 H SER A 9 10.749 3.437 8.431 1.00 1.09 H new ATOM 0 HA SER A 9 10.057 5.877 7.187 1.00 1.02 H new ATOM 0 HB2 SER A 9 12.088 3.711 6.390 1.00 0.99 H new ATOM 0 HB3 SER A 9 12.116 5.369 5.822 1.00 0.99 H new ATOM 0 HG SER A 9 13.560 5.026 7.600 1.00 1.14 H new ATOM 137 N LEU A 10 9.150 3.195 5.575 1.00 1.08 N ATOM 138 CA LEU A 10 8.344 2.639 4.489 1.00 1.24 C ATOM 139 C LEU A 10 6.885 3.114 4.492 1.00 1.43 C ATOM 140 O LEU A 10 6.286 3.180 3.417 1.00 1.58 O ATOM 141 CB LEU A 10 8.421 1.101 4.551 1.00 1.29 C ATOM 142 CG LEU A 10 9.623 0.537 3.777 1.00 1.35 C ATOM 143 CD1 LEU A 10 9.908 -0.903 4.197 1.00 1.66 C ATOM 144 CD2 LEU A 10 9.320 0.532 2.279 1.00 1.65 C ATOM 0 H LEU A 10 9.353 2.506 6.299 1.00 1.08 H new ATOM 0 HA LEU A 10 8.762 3.007 3.552 1.00 1.24 H new ATOM 0 HB2 LEU A 10 8.484 0.786 5.593 1.00 1.29 H new ATOM 0 HB3 LEU A 10 7.502 0.678 4.145 1.00 1.29 H new ATOM 0 HG LEU A 10 10.485 1.167 3.996 1.00 1.35 H new ATOM 0 HD11 LEU A 10 10.762 -1.283 3.637 1.00 1.66 H new ATOM 0 HD12 LEU A 10 10.130 -0.934 5.264 1.00 1.66 H new ATOM 0 HD13 LEU A 10 9.035 -1.522 3.991 1.00 1.66 H new ATOM 0 HD21 LEU A 10 10.176 0.131 1.736 1.00 1.65 H new ATOM 0 HD22 LEU A 10 8.445 -0.089 2.087 1.00 1.65 H new ATOM 0 HD23 LEU A 10 9.123 1.550 1.944 1.00 1.65 H new ATOM 156 N GLN A 11 6.321 3.465 5.656 1.00 1.49 N ATOM 157 CA GLN A 11 4.935 3.940 5.766 1.00 1.70 C ATOM 158 C GLN A 11 4.749 5.273 5.024 1.00 1.71 C ATOM 159 O GLN A 11 5.631 6.140 5.057 1.00 1.63 O ATOM 160 CB GLN A 11 4.513 4.070 7.240 1.00 1.79 C ATOM 161 CG GLN A 11 4.377 2.714 7.947 1.00 1.94 C ATOM 162 CD GLN A 11 3.973 2.878 9.405 1.00 2.18 C ATOM 163 OE1 GLN A 11 4.781 2.860 10.322 1.00 3.30 O ATOM 164 NE2 GLN A 11 2.705 3.069 9.670 1.00 2.41 N ATOM 0 H GLN A 11 6.813 3.427 6.548 1.00 1.49 H new ATOM 0 HA GLN A 11 4.289 3.199 5.294 1.00 1.70 H new ATOM 0 HB2 GLN A 11 5.246 4.678 7.770 1.00 1.79 H new ATOM 0 HB3 GLN A 11 3.562 4.599 7.294 1.00 1.79 H new ATOM 0 HG2 GLN A 11 3.634 2.107 7.430 1.00 1.94 H new ATOM 0 HG3 GLN A 11 5.324 2.177 7.890 1.00 1.94 H new ATOM 0 HE21 GLN A 11 2.023 3.086 8.912 1.00 2.41 H new ATOM 0 HE22 GLN A 11 2.400 3.201 10.634 1.00 2.41 H new ATOM 173 N ALA A 12 3.614 5.431 4.345 1.00 1.86 N ATOM 174 CA ALA A 12 3.332 6.552 3.451 1.00 1.82 C ATOM 175 C ALA A 12 2.792 7.796 4.179 1.00 1.79 C ATOM 176 O ALA A 12 2.359 7.728 5.332 1.00 2.53 O ATOM 177 CB ALA A 12 2.368 6.068 2.364 1.00 1.96 C ATOM 0 H ALA A 12 2.844 4.764 4.403 1.00 1.86 H new ATOM 0 HA ALA A 12 4.271 6.880 3.004 1.00 1.82 H new ATOM 0 HB1 ALA A 12 2.144 6.890 1.684 1.00 1.96 H new ATOM 0 HB2 ALA A 12 2.828 5.252 1.807 1.00 1.96 H new ATOM 0 HB3 ALA A 12 1.445 5.717 2.826 1.00 1.96 H new ATOM 183 N THR A 13 2.808 8.929 3.475 1.00 1.41 N ATOM 184 CA THR A 13 2.515 10.268 4.017 1.00 1.29 C ATOM 185 C THR A 13 1.333 10.945 3.301 1.00 1.08 C ATOM 186 O THR A 13 0.586 11.701 3.927 1.00 1.08 O ATOM 187 CB THR A 13 3.796 11.124 3.939 1.00 1.36 C ATOM 188 OG1 THR A 13 4.895 10.402 4.471 1.00 2.08 O ATOM 189 CG2 THR A 13 3.708 12.421 4.740 1.00 1.87 C ATOM 0 H THR A 13 3.032 8.947 2.480 1.00 1.41 H new ATOM 0 HA THR A 13 2.207 10.166 5.058 1.00 1.29 H new ATOM 0 HB THR A 13 3.922 11.362 2.883 1.00 1.36 H new ATOM 0 HG1 THR A 13 5.705 10.951 4.416 1.00 2.08 H new ATOM 0 HG21 THR A 13 4.642 12.974 4.641 1.00 1.87 H new ATOM 0 HG22 THR A 13 2.886 13.028 4.361 1.00 1.87 H new ATOM 0 HG23 THR A 13 3.533 12.189 5.791 1.00 1.87 H new ATOM 197 N GLU A 14 1.100 10.639 2.018 1.00 0.97 N ATOM 198 CA GLU A 14 -0.022 11.155 1.210 1.00 0.86 C ATOM 199 C GLU A 14 -0.635 10.080 0.284 1.00 0.75 C ATOM 200 O GLU A 14 0.068 9.176 -0.177 1.00 0.78 O ATOM 201 CB GLU A 14 0.427 12.404 0.421 1.00 0.95 C ATOM 202 CG GLU A 14 1.510 12.110 -0.627 1.00 1.05 C ATOM 203 CD GLU A 14 2.080 13.388 -1.250 1.00 1.82 C ATOM 204 OE1 GLU A 14 3.079 13.938 -0.722 1.00 2.50 O ATOM 205 OE2 GLU A 14 1.570 13.835 -2.306 1.00 2.95 O ATOM 0 H GLU A 14 1.704 10.006 1.494 1.00 0.97 H new ATOM 0 HA GLU A 14 -0.819 11.443 1.895 1.00 0.86 H new ATOM 0 HB2 GLU A 14 -0.439 12.841 -0.076 1.00 0.95 H new ATOM 0 HB3 GLU A 14 0.803 13.150 1.121 1.00 0.95 H new ATOM 0 HG2 GLU A 14 2.317 11.544 -0.163 1.00 1.05 H new ATOM 0 HG3 GLU A 14 1.091 11.481 -1.413 1.00 1.05 H new ATOM 212 N ALA A 15 -1.936 10.172 -0.020 1.00 0.72 N ATOM 213 CA ALA A 15 -2.687 9.185 -0.816 1.00 0.72 C ATOM 214 C ALA A 15 -3.679 9.847 -1.794 1.00 0.77 C ATOM 215 O ALA A 15 -4.264 10.877 -1.467 1.00 1.06 O ATOM 216 CB ALA A 15 -3.416 8.241 0.150 1.00 0.74 C ATOM 0 H ALA A 15 -2.513 10.955 0.288 1.00 0.72 H new ATOM 0 HA ALA A 15 -1.984 8.626 -1.434 1.00 0.72 H new ATOM 0 HB1 ALA A 15 -3.979 7.501 -0.419 1.00 0.74 H new ATOM 0 HB2 ALA A 15 -2.687 7.734 0.783 1.00 0.74 H new ATOM 0 HB3 ALA A 15 -4.100 8.816 0.774 1.00 0.74 H new ATOM 222 N THR A 16 -3.892 9.249 -2.974 1.00 0.66 N ATOM 223 CA THR A 16 -4.714 9.814 -4.067 1.00 0.69 C ATOM 224 C THR A 16 -6.132 9.233 -4.089 1.00 0.57 C ATOM 225 O THR A 16 -6.358 8.148 -4.627 1.00 0.60 O ATOM 226 CB THR A 16 -4.058 9.610 -5.448 1.00 0.94 C ATOM 227 OG1 THR A 16 -2.666 9.833 -5.404 1.00 1.40 O ATOM 228 CG2 THR A 16 -4.634 10.567 -6.491 1.00 1.01 C ATOM 0 H THR A 16 -3.492 8.340 -3.206 1.00 0.66 H new ATOM 0 HA THR A 16 -4.780 10.883 -3.862 1.00 0.69 H new ATOM 0 HB THR A 16 -4.266 8.576 -5.723 1.00 0.94 H new ATOM 0 HG1 THR A 16 -2.284 9.693 -6.296 1.00 1.40 H new ATOM 0 HG21 THR A 16 -4.148 10.394 -7.451 1.00 1.01 H new ATOM 0 HG22 THR A 16 -5.706 10.395 -6.591 1.00 1.01 H new ATOM 0 HG23 THR A 16 -4.460 11.596 -6.176 1.00 1.01 H new ATOM 236 N ILE A 17 -7.112 9.973 -3.568 1.00 0.52 N ATOM 237 CA ILE A 17 -8.532 9.593 -3.625 1.00 0.58 C ATOM 238 C ILE A 17 -9.063 9.873 -5.036 1.00 0.82 C ATOM 239 O ILE A 17 -8.735 10.909 -5.620 1.00 1.09 O ATOM 240 CB ILE A 17 -9.367 10.355 -2.560 1.00 0.72 C ATOM 241 CG1 ILE A 17 -8.775 10.180 -1.144 1.00 0.66 C ATOM 242 CG2 ILE A 17 -10.835 9.878 -2.596 1.00 0.97 C ATOM 243 CD1 ILE A 17 -9.570 10.839 -0.007 1.00 0.87 C ATOM 0 H ILE A 17 -6.946 10.859 -3.091 1.00 0.52 H new ATOM 0 HA ILE A 17 -8.625 8.530 -3.402 1.00 0.58 H new ATOM 0 HB ILE A 17 -9.332 11.417 -2.802 1.00 0.72 H new ATOM 0 HG12 ILE A 17 -8.691 9.114 -0.934 1.00 0.66 H new ATOM 0 HG13 ILE A 17 -7.764 10.587 -1.139 1.00 0.66 H new ATOM 0 HG21 ILE A 17 -11.412 10.419 -1.845 1.00 0.97 H new ATOM 0 HG22 ILE A 17 -11.255 10.069 -3.583 1.00 0.97 H new ATOM 0 HG23 ILE A 17 -10.876 8.809 -2.385 1.00 0.97 H new ATOM 0 HD11 ILE A 17 -9.067 10.655 0.943 1.00 0.87 H new ATOM 0 HD12 ILE A 17 -9.633 11.913 -0.182 1.00 0.87 H new ATOM 0 HD13 ILE A 17 -10.575 10.417 0.027 1.00 0.87 H new ATOM 255 N VAL A 18 -9.893 8.973 -5.576 1.00 0.83 N ATOM 256 CA VAL A 18 -10.644 9.217 -6.820 1.00 0.98 C ATOM 257 C VAL A 18 -12.156 9.245 -6.588 1.00 1.14 C ATOM 258 O VAL A 18 -12.747 8.307 -6.041 1.00 1.23 O ATOM 259 CB VAL A 18 -10.217 8.299 -7.978 1.00 1.10 C ATOM 260 CG1 VAL A 18 -8.801 8.676 -8.422 1.00 2.38 C ATOM 261 CG2 VAL A 18 -10.236 6.802 -7.655 1.00 1.74 C ATOM 0 H VAL A 18 -10.065 8.055 -5.166 1.00 0.83 H new ATOM 0 HA VAL A 18 -10.373 10.221 -7.148 1.00 0.98 H new ATOM 0 HB VAL A 18 -10.957 8.456 -8.763 1.00 1.10 H new ATOM 0 HG11 VAL A 18 -8.493 8.029 -9.243 1.00 2.38 H new ATOM 0 HG12 VAL A 18 -8.788 9.714 -8.754 1.00 2.38 H new ATOM 0 HG13 VAL A 18 -8.113 8.554 -7.586 1.00 2.38 H new ATOM 0 HG21 VAL A 18 -9.920 6.237 -8.532 1.00 1.74 H new ATOM 0 HG22 VAL A 18 -9.555 6.600 -6.828 1.00 1.74 H new ATOM 0 HG23 VAL A 18 -11.246 6.503 -7.375 1.00 1.74 H new ATOM 271 N THR A 19 -12.770 10.348 -7.026 1.00 1.31 N ATOM 272 CA THR A 19 -14.152 10.746 -6.715 1.00 1.53 C ATOM 273 C THR A 19 -14.849 11.342 -7.941 1.00 1.76 C ATOM 274 O THR A 19 -14.243 12.094 -8.713 1.00 1.78 O ATOM 275 CB THR A 19 -14.129 11.758 -5.555 1.00 1.62 C ATOM 276 OG1 THR A 19 -13.619 11.113 -4.411 1.00 1.55 O ATOM 277 CG2 THR A 19 -15.506 12.271 -5.145 1.00 2.03 C ATOM 0 H THR A 19 -12.300 11.019 -7.633 1.00 1.31 H new ATOM 0 HA THR A 19 -14.720 9.863 -6.421 1.00 1.53 H new ATOM 0 HB THR A 19 -13.530 12.598 -5.908 1.00 1.62 H new ATOM 0 HG1 THR A 19 -13.596 11.745 -3.662 1.00 1.55 H new ATOM 0 HG21 THR A 19 -15.401 12.979 -4.323 1.00 2.03 H new ATOM 0 HG22 THR A 19 -15.976 12.768 -5.993 1.00 2.03 H new ATOM 0 HG23 THR A 19 -16.126 11.433 -4.826 1.00 2.03 H new ATOM 285 N LEU A 20 -16.137 11.029 -8.104 1.00 2.06 N ATOM 286 CA LEU A 20 -16.994 11.606 -9.139 1.00 2.41 C ATOM 287 C LEU A 20 -17.724 12.823 -8.562 1.00 2.72 C ATOM 288 O LEU A 20 -18.584 12.690 -7.685 1.00 2.89 O ATOM 289 CB LEU A 20 -17.989 10.570 -9.709 1.00 2.73 C ATOM 290 CG LEU A 20 -17.430 9.365 -10.492 1.00 2.88 C ATOM 291 CD1 LEU A 20 -16.495 9.789 -11.615 1.00 4.84 C ATOM 292 CD2 LEU A 20 -16.632 8.362 -9.661 1.00 1.97 C ATOM 0 H LEU A 20 -16.620 10.356 -7.509 1.00 2.06 H new ATOM 0 HA LEU A 20 -16.370 11.922 -9.975 1.00 2.41 H new ATOM 0 HB2 LEU A 20 -18.575 10.181 -8.877 1.00 2.73 H new ATOM 0 HB3 LEU A 20 -18.679 11.100 -10.365 1.00 2.73 H new ATOM 0 HG LEU A 20 -18.340 8.891 -10.861 1.00 2.88 H new ATOM 0 HD11 LEU A 20 -16.128 8.905 -12.136 1.00 4.84 H new ATOM 0 HD12 LEU A 20 -17.034 10.426 -12.316 1.00 4.84 H new ATOM 0 HD13 LEU A 20 -15.652 10.340 -11.198 1.00 4.84 H new ATOM 0 HD21 LEU A 20 -16.283 7.553 -10.303 1.00 1.97 H new ATOM 0 HD22 LEU A 20 -15.775 8.863 -9.210 1.00 1.97 H new ATOM 0 HD23 LEU A 20 -17.268 7.953 -8.876 1.00 1.97 H new ATOM 304 N ASP A 21 -17.403 14.019 -9.060 1.00 3.03 N ATOM 305 CA ASP A 21 -18.060 15.268 -8.630 1.00 3.40 C ATOM 306 C ASP A 21 -19.232 15.697 -9.535 1.00 3.71 C ATOM 307 O ASP A 21 -19.935 16.662 -9.225 1.00 4.08 O ATOM 308 CB ASP A 21 -17.005 16.361 -8.379 1.00 3.52 C ATOM 309 CG ASP A 21 -17.273 17.173 -7.107 1.00 3.81 C ATOM 310 OD1 ASP A 21 -17.798 16.619 -6.108 1.00 3.34 O ATOM 311 OD2 ASP A 21 -16.912 18.374 -7.093 1.00 5.13 O ATOM 0 H ASP A 21 -16.684 14.155 -9.770 1.00 3.03 H new ATOM 0 HA ASP A 21 -18.553 15.079 -7.677 1.00 3.40 H new ATOM 0 HB2 ASP A 21 -16.021 15.898 -8.307 1.00 3.52 H new ATOM 0 HB3 ASP A 21 -16.978 17.035 -9.235 1.00 3.52 H new ATOM 316 N SER A 22 -19.437 14.929 -10.612 1.00 3.63 N ATOM 317 CA SER A 22 -20.573 14.898 -11.544 1.00 3.80 C ATOM 318 C SER A 22 -20.608 13.575 -12.336 1.00 4.16 C ATOM 319 O SER A 22 -19.558 13.020 -12.655 1.00 5.02 O ATOM 320 CB SER A 22 -20.635 16.078 -12.528 1.00 3.97 C ATOM 321 OG SER A 22 -20.902 17.314 -11.887 1.00 3.81 O ATOM 0 H SER A 22 -18.736 14.239 -10.881 1.00 3.63 H new ATOM 0 HA SER A 22 -21.450 14.984 -10.902 1.00 3.80 H new ATOM 0 HB2 SER A 22 -19.688 16.149 -13.064 1.00 3.97 H new ATOM 0 HB3 SER A 22 -21.408 15.885 -13.272 1.00 3.97 H new ATOM 0 HG SER A 22 -20.716 17.232 -10.928 1.00 3.81 H new ATOM 327 N ASP A 23 -21.830 13.122 -12.638 1.00 4.03 N ATOM 328 CA ASP A 23 -22.340 11.838 -13.185 1.00 4.31 C ATOM 329 C ASP A 23 -21.378 10.951 -14.019 1.00 4.30 C ATOM 330 O ASP A 23 -21.613 10.689 -15.200 1.00 4.67 O ATOM 331 CB ASP A 23 -23.640 12.152 -13.953 1.00 4.77 C ATOM 332 CG ASP A 23 -24.454 10.887 -14.223 1.00 5.10 C ATOM 333 OD1 ASP A 23 -24.855 10.230 -13.234 1.00 4.94 O ATOM 334 OD2 ASP A 23 -24.691 10.527 -15.402 1.00 6.00 O ATOM 0 H ASP A 23 -22.621 13.747 -12.480 1.00 4.03 H new ATOM 0 HA ASP A 23 -22.496 11.194 -12.319 1.00 4.31 H new ATOM 0 HB2 ASP A 23 -24.241 12.857 -13.379 1.00 4.77 H new ATOM 0 HB3 ASP A 23 -23.397 12.637 -14.898 1.00 4.77 H new ATOM 339 N ASN A 24 -20.286 10.482 -13.405 1.00 4.01 N ATOM 340 CA ASN A 24 -19.103 9.861 -14.040 1.00 4.02 C ATOM 341 C ASN A 24 -18.306 10.807 -14.977 1.00 4.09 C ATOM 342 O ASN A 24 -17.090 10.667 -15.122 1.00 4.21 O ATOM 343 CB ASN A 24 -19.450 8.507 -14.685 1.00 4.46 C ATOM 344 CG ASN A 24 -18.276 7.899 -15.386 1.00 5.36 C ATOM 345 OD1 ASN A 24 -18.073 8.051 -16.584 1.00 6.60 O ATOM 346 ND2 ASN A 24 -17.438 7.202 -14.691 1.00 5.45 N ATOM 0 H ASN A 24 -20.192 10.525 -12.390 1.00 4.01 H new ATOM 0 HA ASN A 24 -18.404 9.656 -13.229 1.00 4.02 H new ATOM 0 HB2 ASN A 24 -19.808 7.821 -13.917 1.00 4.46 H new ATOM 0 HB3 ASN A 24 -20.265 8.643 -15.396 1.00 4.46 H new ATOM 0 HD21 ASN A 24 -16.622 6.788 -15.142 1.00 5.45 H new ATOM 0 HD22 ASN A 24 -17.593 7.066 -13.692 1.00 5.45 H new ATOM 353 N ILE A 25 -18.974 11.808 -15.548 1.00 4.11 N ATOM 354 CA ILE A 25 -18.458 12.885 -16.403 1.00 4.26 C ATOM 355 C ILE A 25 -17.435 13.821 -15.739 1.00 3.92 C ATOM 356 O ILE A 25 -16.764 14.586 -16.436 1.00 4.11 O ATOM 357 CB ILE A 25 -19.660 13.697 -16.938 1.00 4.57 C ATOM 358 CG1 ILE A 25 -20.583 14.232 -15.824 1.00 4.32 C ATOM 359 CG2 ILE A 25 -20.411 12.832 -17.962 1.00 5.04 C ATOM 360 CD1 ILE A 25 -21.609 15.256 -16.322 1.00 4.77 C ATOM 0 H ILE A 25 -19.981 11.897 -15.414 1.00 4.11 H new ATOM 0 HA ILE A 25 -17.901 12.403 -17.206 1.00 4.26 H new ATOM 0 HB ILE A 25 -19.284 14.597 -17.426 1.00 4.57 H new ATOM 0 HG12 ILE A 25 -21.109 13.395 -15.366 1.00 4.32 H new ATOM 0 HG13 ILE A 25 -19.973 14.690 -15.045 1.00 4.32 H new ATOM 0 HG21 ILE A 25 -21.264 13.388 -18.352 1.00 5.04 H new ATOM 0 HG22 ILE A 25 -19.741 12.574 -18.782 1.00 5.04 H new ATOM 0 HG23 ILE A 25 -20.762 11.920 -17.480 1.00 5.04 H new ATOM 0 HD11 ILE A 25 -22.225 15.590 -15.487 1.00 4.77 H new ATOM 0 HD12 ILE A 25 -21.089 16.111 -16.754 1.00 4.77 H new ATOM 0 HD13 ILE A 25 -22.244 14.796 -17.079 1.00 4.77 H new ATOM 372 N LEU A 26 -17.294 13.776 -14.413 1.00 3.49 N ATOM 373 CA LEU A 26 -16.334 14.569 -13.637 1.00 3.18 C ATOM 374 C LEU A 26 -15.552 13.676 -12.656 1.00 2.61 C ATOM 375 O LEU A 26 -15.567 13.854 -11.438 1.00 3.11 O ATOM 376 CB LEU A 26 -17.084 15.757 -13.020 1.00 3.35 C ATOM 377 CG LEU A 26 -16.272 16.784 -12.215 1.00 3.24 C ATOM 378 CD1 LEU A 26 -15.129 17.334 -13.046 1.00 3.78 C ATOM 379 CD2 LEU A 26 -17.157 17.966 -11.820 1.00 3.75 C ATOM 0 H LEU A 26 -17.864 13.166 -13.828 1.00 3.49 H new ATOM 0 HA LEU A 26 -15.552 14.995 -14.265 1.00 3.18 H new ATOM 0 HB2 LEU A 26 -17.588 16.289 -13.827 1.00 3.35 H new ATOM 0 HB3 LEU A 26 -17.860 15.359 -12.366 1.00 3.35 H new ATOM 0 HG LEU A 26 -15.888 16.275 -11.331 1.00 3.24 H new ATOM 0 HD11 LEU A 26 -14.567 18.059 -12.457 1.00 3.78 H new ATOM 0 HD12 LEU A 26 -14.470 16.518 -13.343 1.00 3.78 H new ATOM 0 HD13 LEU A 26 -15.528 17.820 -13.936 1.00 3.78 H new ATOM 0 HD21 LEU A 26 -16.570 18.686 -11.250 1.00 3.75 H new ATOM 0 HD22 LEU A 26 -17.546 18.445 -12.718 1.00 3.75 H new ATOM 0 HD23 LEU A 26 -17.987 17.611 -11.209 1.00 3.75 H new ATOM 391 N LEU A 27 -14.911 12.659 -13.237 1.00 2.02 N ATOM 392 CA LEU A 27 -13.909 11.822 -12.591 1.00 1.74 C ATOM 393 C LEU A 27 -12.684 12.676 -12.262 1.00 1.98 C ATOM 394 O LEU A 27 -12.027 13.222 -13.150 1.00 2.37 O ATOM 395 CB LEU A 27 -13.641 10.601 -13.488 1.00 1.79 C ATOM 396 CG LEU A 27 -12.910 9.441 -12.785 1.00 2.03 C ATOM 397 CD1 LEU A 27 -13.230 8.138 -13.517 1.00 2.72 C ATOM 398 CD2 LEU A 27 -11.390 9.620 -12.763 1.00 2.86 C ATOM 0 H LEU A 27 -15.085 12.390 -14.205 1.00 2.02 H new ATOM 0 HA LEU A 27 -14.248 11.422 -11.635 1.00 1.74 H new ATOM 0 HB2 LEU A 27 -14.592 10.234 -13.874 1.00 1.79 H new ATOM 0 HB3 LEU A 27 -13.050 10.919 -14.347 1.00 1.79 H new ATOM 0 HG LEU A 27 -13.257 9.422 -11.752 1.00 2.03 H new ATOM 0 HD11 LEU A 27 -12.717 7.310 -13.027 1.00 2.72 H new ATOM 0 HD12 LEU A 27 -14.306 7.963 -13.495 1.00 2.72 H new ATOM 0 HD13 LEU A 27 -12.896 8.211 -14.552 1.00 2.72 H new ATOM 0 HD21 LEU A 27 -10.931 8.772 -12.255 1.00 2.86 H new ATOM 0 HD22 LEU A 27 -11.016 9.677 -13.785 1.00 2.86 H new ATOM 0 HD23 LEU A 27 -11.140 10.539 -12.233 1.00 2.86 H new ATOM 410 N SER A 28 -12.408 12.810 -10.968 1.00 1.93 N ATOM 411 CA SER A 28 -11.449 13.763 -10.412 1.00 2.17 C ATOM 412 C SER A 28 -10.577 13.102 -9.342 1.00 1.98 C ATOM 413 O SER A 28 -11.000 12.136 -8.699 1.00 2.04 O ATOM 414 CB SER A 28 -12.235 14.968 -9.871 1.00 2.46 C ATOM 415 OG SER A 28 -13.006 14.623 -8.728 1.00 1.96 O ATOM 0 H SER A 28 -12.860 12.240 -10.253 1.00 1.93 H new ATOM 0 HA SER A 28 -10.761 14.108 -11.184 1.00 2.17 H new ATOM 0 HB2 SER A 28 -11.542 15.769 -9.614 1.00 2.46 H new ATOM 0 HB3 SER A 28 -12.892 15.353 -10.650 1.00 2.46 H new ATOM 0 HG SER A 28 -13.395 13.732 -8.852 1.00 1.96 H new ATOM 421 N GLU A 29 -9.355 13.603 -9.157 1.00 1.83 N ATOM 422 CA GLU A 29 -8.382 13.061 -8.199 1.00 1.62 C ATOM 423 C GLU A 29 -8.043 14.082 -7.103 1.00 1.45 C ATOM 424 O GLU A 29 -8.025 15.294 -7.353 1.00 1.42 O ATOM 425 CB GLU A 29 -7.091 12.622 -8.914 1.00 1.72 C ATOM 426 CG GLU A 29 -7.272 11.600 -10.048 1.00 1.97 C ATOM 427 CD GLU A 29 -6.748 12.126 -11.386 1.00 2.21 C ATOM 428 OE1 GLU A 29 -5.511 12.172 -11.604 1.00 3.25 O ATOM 429 OE2 GLU A 29 -7.564 12.449 -12.278 1.00 2.33 O ATOM 0 H GLU A 29 -9.005 14.409 -9.675 1.00 1.83 H new ATOM 0 HA GLU A 29 -8.843 12.191 -7.731 1.00 1.62 H new ATOM 0 HB2 GLU A 29 -6.604 13.508 -9.322 1.00 1.72 H new ATOM 0 HB3 GLU A 29 -6.413 12.199 -8.173 1.00 1.72 H new ATOM 0 HG2 GLU A 29 -6.750 10.678 -9.792 1.00 1.97 H new ATOM 0 HG3 GLU A 29 -8.329 11.351 -10.146 1.00 1.97 H new ATOM 436 N GLU A 30 -7.729 13.599 -5.898 1.00 1.39 N ATOM 437 CA GLU A 30 -7.290 14.416 -4.759 1.00 1.33 C ATOM 438 C GLU A 30 -6.155 13.735 -3.979 1.00 1.05 C ATOM 439 O GLU A 30 -6.386 12.705 -3.344 1.00 0.67 O ATOM 440 CB GLU A 30 -8.460 14.695 -3.787 1.00 1.31 C ATOM 441 CG GLU A 30 -9.803 15.033 -4.447 1.00 1.72 C ATOM 442 CD GLU A 30 -10.704 15.837 -3.513 1.00 1.62 C ATOM 443 OE1 GLU A 30 -10.417 17.037 -3.280 1.00 2.56 O ATOM 444 OE2 GLU A 30 -11.728 15.312 -3.012 1.00 2.37 O ATOM 0 H GLU A 30 -7.774 12.604 -5.680 1.00 1.39 H new ATOM 0 HA GLU A 30 -6.926 15.356 -5.173 1.00 1.33 H new ATOM 0 HB2 GLU A 30 -8.598 13.820 -3.152 1.00 1.31 H new ATOM 0 HB3 GLU A 30 -8.178 15.521 -3.135 1.00 1.31 H new ATOM 0 HG2 GLU A 30 -9.627 15.601 -5.361 1.00 1.72 H new ATOM 0 HG3 GLU A 30 -10.308 14.112 -4.737 1.00 1.72 H new ATOM 451 N GLN A 31 -4.936 14.287 -3.974 1.00 1.47 N ATOM 452 CA GLN A 31 -3.894 13.832 -3.045 1.00 1.29 C ATOM 453 C GLN A 31 -4.134 14.461 -1.666 1.00 1.01 C ATOM 454 O GLN A 31 -4.055 15.684 -1.511 1.00 1.27 O ATOM 455 CB GLN A 31 -2.483 14.138 -3.571 1.00 1.72 C ATOM 456 CG GLN A 31 -2.080 13.202 -4.715 1.00 2.24 C ATOM 457 CD GLN A 31 -0.594 13.285 -4.949 1.00 2.49 C ATOM 458 OE1 GLN A 31 -0.064 14.176 -5.605 1.00 2.70 O ATOM 459 NE2 GLN A 31 0.142 12.429 -4.289 1.00 2.66 N ATOM 0 H GLN A 31 -4.648 15.042 -4.596 1.00 1.47 H new ATOM 0 HA GLN A 31 -3.956 12.747 -2.955 1.00 1.29 H new ATOM 0 HB2 GLN A 31 -2.441 15.171 -3.916 1.00 1.72 H new ATOM 0 HB3 GLN A 31 -1.765 14.045 -2.757 1.00 1.72 H new ATOM 0 HG2 GLN A 31 -2.362 12.177 -4.474 1.00 2.24 H new ATOM 0 HG3 GLN A 31 -2.616 13.474 -5.625 1.00 2.24 H new ATOM 0 HE21 GLN A 31 -0.301 11.689 -3.744 1.00 2.66 H new ATOM 0 HE22 GLN A 31 1.159 12.501 -4.319 1.00 2.66 H new ATOM 468 N VAL A 32 -4.425 13.633 -0.663 1.00 0.76 N ATOM 469 CA VAL A 32 -4.703 14.043 0.724 1.00 0.76 C ATOM 470 C VAL A 32 -3.628 13.524 1.679 1.00 0.82 C ATOM 471 O VAL A 32 -2.861 12.622 1.338 1.00 0.86 O ATOM 472 CB VAL A 32 -6.111 13.607 1.188 1.00 0.86 C ATOM 473 CG1 VAL A 32 -7.208 14.118 0.244 1.00 0.92 C ATOM 474 CG2 VAL A 32 -6.263 12.089 1.343 1.00 0.90 C ATOM 0 H VAL A 32 -4.477 12.623 -0.792 1.00 0.76 H new ATOM 0 HA VAL A 32 -4.680 15.133 0.744 1.00 0.76 H new ATOM 0 HB VAL A 32 -6.229 14.060 2.172 1.00 0.86 H new ATOM 0 HG11 VAL A 32 -8.182 13.789 0.606 1.00 0.92 H new ATOM 0 HG12 VAL A 32 -7.182 15.207 0.211 1.00 0.92 H new ATOM 0 HG13 VAL A 32 -7.041 13.721 -0.757 1.00 0.92 H new ATOM 0 HG21 VAL A 32 -7.276 11.856 1.671 1.00 0.90 H new ATOM 0 HG22 VAL A 32 -6.071 11.605 0.386 1.00 0.90 H new ATOM 0 HG23 VAL A 32 -5.550 11.726 2.083 1.00 0.90 H new ATOM 484 N ASP A 33 -3.596 14.051 2.902 1.00 0.96 N ATOM 485 CA ASP A 33 -2.704 13.563 3.955 1.00 1.08 C ATOM 486 C ASP A 33 -3.243 12.249 4.546 1.00 1.08 C ATOM 487 O ASP A 33 -4.453 12.087 4.698 1.00 1.08 O ATOM 488 CB ASP A 33 -2.562 14.656 5.022 1.00 1.29 C ATOM 489 CG ASP A 33 -1.719 15.820 4.506 1.00 2.42 C ATOM 490 OD1 ASP A 33 -0.484 15.647 4.389 1.00 2.66 O ATOM 491 OD2 ASP A 33 -2.270 16.899 4.178 1.00 3.95 O ATOM 0 H ASP A 33 -4.188 14.829 3.192 1.00 0.96 H new ATOM 0 HA ASP A 33 -1.718 13.345 3.545 1.00 1.08 H new ATOM 0 HB2 ASP A 33 -3.549 15.017 5.311 1.00 1.29 H new ATOM 0 HB3 ASP A 33 -2.101 14.238 5.917 1.00 1.29 H new ATOM 496 N VAL A 34 -2.359 11.298 4.875 1.00 1.11 N ATOM 497 CA VAL A 34 -2.757 9.926 5.271 1.00 1.12 C ATOM 498 C VAL A 34 -3.651 9.862 6.528 1.00 1.20 C ATOM 499 O VAL A 34 -4.464 8.947 6.666 1.00 1.29 O ATOM 500 CB VAL A 34 -1.517 9.011 5.364 1.00 1.16 C ATOM 501 CG1 VAL A 34 -0.613 9.355 6.553 1.00 1.29 C ATOM 502 CG2 VAL A 34 -1.888 7.523 5.409 1.00 1.20 C ATOM 0 H VAL A 34 -1.350 11.449 4.877 1.00 1.11 H new ATOM 0 HA VAL A 34 -3.400 9.545 4.478 1.00 1.12 H new ATOM 0 HB VAL A 34 -0.957 9.199 4.448 1.00 1.16 H new ATOM 0 HG11 VAL A 34 0.242 8.679 6.567 1.00 1.29 H new ATOM 0 HG12 VAL A 34 -0.262 10.382 6.458 1.00 1.29 H new ATOM 0 HG13 VAL A 34 -1.175 9.248 7.481 1.00 1.29 H new ATOM 0 HG21 VAL A 34 -0.980 6.923 5.474 1.00 1.20 H new ATOM 0 HG22 VAL A 34 -2.514 7.330 6.281 1.00 1.20 H new ATOM 0 HG23 VAL A 34 -2.434 7.257 4.504 1.00 1.20 H new ATOM 512 N GLU A 35 -3.602 10.876 7.398 1.00 1.23 N ATOM 513 CA GLU A 35 -4.534 11.067 8.522 1.00 1.35 C ATOM 514 C GLU A 35 -6.005 11.230 8.073 1.00 1.27 C ATOM 515 O GLU A 35 -6.920 10.863 8.816 1.00 1.34 O ATOM 516 CB GLU A 35 -4.044 12.305 9.309 1.00 1.61 C ATOM 517 CG GLU A 35 -4.917 12.729 10.505 1.00 2.46 C ATOM 518 CD GLU A 35 -4.211 13.739 11.429 1.00 3.09 C ATOM 519 OE1 GLU A 35 -3.069 13.479 11.882 1.00 2.98 O ATOM 520 OE2 GLU A 35 -4.795 14.798 11.768 1.00 4.44 O ATOM 0 H GLU A 35 -2.895 11.609 7.341 1.00 1.23 H new ATOM 0 HA GLU A 35 -4.532 10.175 9.148 1.00 1.35 H new ATOM 0 HB2 GLU A 35 -3.036 12.105 9.672 1.00 1.61 H new ATOM 0 HB3 GLU A 35 -3.973 13.146 8.619 1.00 1.61 H new ATOM 0 HG2 GLU A 35 -5.844 13.168 10.135 1.00 2.46 H new ATOM 0 HG3 GLU A 35 -5.190 11.845 11.081 1.00 2.46 H new ATOM 527 N LEU A 36 -6.234 11.735 6.854 1.00 1.17 N ATOM 528 CA LEU A 36 -7.519 12.210 6.323 1.00 1.14 C ATOM 529 C LEU A 36 -8.251 11.243 5.373 1.00 1.03 C ATOM 530 O LEU A 36 -9.398 11.516 5.008 1.00 1.07 O ATOM 531 CB LEU A 36 -7.283 13.552 5.599 1.00 1.16 C ATOM 532 CG LEU A 36 -6.440 14.603 6.345 1.00 1.26 C ATOM 533 CD1 LEU A 36 -6.317 15.867 5.498 1.00 1.32 C ATOM 534 CD2 LEU A 36 -7.049 15.001 7.686 1.00 1.36 C ATOM 0 H LEU A 36 -5.482 11.829 6.171 1.00 1.17 H new ATOM 0 HA LEU A 36 -8.177 12.307 7.186 1.00 1.14 H new ATOM 0 HB2 LEU A 36 -6.799 13.343 4.645 1.00 1.16 H new ATOM 0 HB3 LEU A 36 -8.254 13.992 5.374 1.00 1.16 H new ATOM 0 HG LEU A 36 -5.467 14.146 6.525 1.00 1.26 H new ATOM 0 HD11 LEU A 36 -5.720 16.606 6.032 1.00 1.32 H new ATOM 0 HD12 LEU A 36 -5.834 15.625 4.551 1.00 1.32 H new ATOM 0 HD13 LEU A 36 -7.310 16.274 5.305 1.00 1.32 H new ATOM 0 HD21 LEU A 36 -6.413 15.744 8.168 1.00 1.36 H new ATOM 0 HD22 LEU A 36 -8.041 15.422 7.524 1.00 1.36 H new ATOM 0 HD23 LEU A 36 -7.128 14.122 8.325 1.00 1.36 H new ATOM 546 N VAL A 37 -7.629 10.131 4.970 1.00 0.96 N ATOM 547 CA VAL A 37 -8.271 9.081 4.151 1.00 0.94 C ATOM 548 C VAL A 37 -8.943 8.020 5.037 1.00 1.12 C ATOM 549 O VAL A 37 -8.461 7.732 6.139 1.00 1.56 O ATOM 550 CB VAL A 37 -7.287 8.509 3.107 1.00 0.88 C ATOM 551 CG1 VAL A 37 -6.056 7.838 3.726 1.00 0.96 C ATOM 552 CG2 VAL A 37 -7.953 7.514 2.155 1.00 1.19 C ATOM 0 H VAL A 37 -6.657 9.926 5.202 1.00 0.96 H new ATOM 0 HA VAL A 37 -9.079 9.528 3.572 1.00 0.94 H new ATOM 0 HB VAL A 37 -6.958 9.385 2.549 1.00 0.88 H new ATOM 0 HG11 VAL A 37 -5.410 7.460 2.933 1.00 0.96 H new ATOM 0 HG12 VAL A 37 -5.508 8.565 4.325 1.00 0.96 H new ATOM 0 HG13 VAL A 37 -6.373 7.011 4.361 1.00 0.96 H new ATOM 0 HG21 VAL A 37 -7.216 7.143 1.442 1.00 1.19 H new ATOM 0 HG22 VAL A 37 -8.357 6.679 2.726 1.00 1.19 H new ATOM 0 HG23 VAL A 37 -8.761 8.010 1.617 1.00 1.19 H new ATOM 562 N GLN A 38 -10.080 7.486 4.582 1.00 1.27 N ATOM 563 CA GLN A 38 -10.994 6.614 5.337 1.00 1.48 C ATOM 564 C GLN A 38 -11.197 5.244 4.673 1.00 1.36 C ATOM 565 O GLN A 38 -11.106 5.100 3.454 1.00 1.32 O ATOM 566 CB GLN A 38 -12.361 7.301 5.494 1.00 1.86 C ATOM 567 CG GLN A 38 -12.289 8.621 6.263 1.00 2.05 C ATOM 568 CD GLN A 38 -13.583 9.390 6.125 1.00 2.66 C ATOM 569 OE1 GLN A 38 -13.748 10.312 5.330 1.00 4.13 O ATOM 570 NE2 GLN A 38 -14.586 8.972 6.839 1.00 2.17 N ATOM 0 H GLN A 38 -10.407 7.656 3.631 1.00 1.27 H new ATOM 0 HA GLN A 38 -10.533 6.444 6.310 1.00 1.48 H new ATOM 0 HB2 GLN A 38 -12.782 7.486 4.506 1.00 1.86 H new ATOM 0 HB3 GLN A 38 -13.043 6.625 6.010 1.00 1.86 H new ATOM 0 HG2 GLN A 38 -12.088 8.424 7.316 1.00 2.05 H new ATOM 0 HG3 GLN A 38 -11.461 9.222 5.887 1.00 2.05 H new ATOM 0 HE21 GLN A 38 -14.457 8.207 7.501 1.00 2.17 H new ATOM 0 HE22 GLN A 38 -15.502 9.409 6.737 1.00 2.17 H new ATOM 579 N ARG A 39 -11.551 4.230 5.473 1.00 1.36 N ATOM 580 CA ARG A 39 -11.652 2.814 5.019 1.00 1.23 C ATOM 581 C ARG A 39 -12.902 2.421 4.214 1.00 1.29 C ATOM 582 O ARG A 39 -13.300 1.256 4.183 1.00 1.98 O ATOM 583 CB ARG A 39 -11.352 1.839 6.158 1.00 1.20 C ATOM 584 CG ARG A 39 -12.438 1.723 7.237 1.00 1.15 C ATOM 585 CD ARG A 39 -11.933 0.708 8.262 1.00 1.41 C ATOM 586 NE ARG A 39 -12.681 0.704 9.530 1.00 1.34 N ATOM 587 CZ ARG A 39 -13.664 -0.105 9.885 1.00 2.03 C ATOM 588 NH1 ARG A 39 -14.266 -0.900 9.051 1.00 3.28 N ATOM 589 NH2 ARG A 39 -14.047 -0.155 11.125 1.00 2.02 N ATOM 0 H ARG A 39 -11.779 4.357 6.459 1.00 1.36 H new ATOM 0 HA ARG A 39 -10.867 2.733 4.267 1.00 1.23 H new ATOM 0 HB2 ARG A 39 -11.183 0.851 5.731 1.00 1.20 H new ATOM 0 HB3 ARG A 39 -10.421 2.143 6.636 1.00 1.20 H new ATOM 0 HG2 ARG A 39 -12.621 2.689 7.707 1.00 1.15 H new ATOM 0 HG3 ARG A 39 -13.382 1.396 6.802 1.00 1.15 H new ATOM 0 HD2 ARG A 39 -11.980 -0.288 7.823 1.00 1.41 H new ATOM 0 HD3 ARG A 39 -10.884 0.914 8.473 1.00 1.41 H new ATOM 0 HE ARG A 39 -12.409 1.409 10.215 1.00 1.34 H new ATOM 0 HH11 ARG A 39 -13.985 -0.919 8.071 1.00 3.28 H new ATOM 0 HH12 ARG A 39 -15.020 -1.505 9.377 1.00 3.28 H new ATOM 0 HH21 ARG A 39 -13.589 0.430 11.824 1.00 2.02 H new ATOM 0 HH22 ARG A 39 -14.806 -0.779 11.400 1.00 2.02 H new ATOM 603 N GLY A 40 -13.527 3.402 3.578 1.00 1.34 N ATOM 604 CA GLY A 40 -14.702 3.248 2.707 1.00 1.31 C ATOM 605 C GLY A 40 -14.513 3.703 1.253 1.00 1.34 C ATOM 606 O GLY A 40 -15.496 3.732 0.516 1.00 1.47 O ATOM 0 H GLY A 40 -13.222 4.372 3.653 1.00 1.34 H new ATOM 0 HA2 GLY A 40 -14.996 2.198 2.705 1.00 1.31 H new ATOM 0 HA3 GLY A 40 -15.529 3.810 3.140 1.00 1.31 H new ATOM 610 N ASP A 41 -13.298 4.071 0.824 1.00 1.37 N ATOM 611 CA ASP A 41 -13.041 4.740 -0.465 1.00 1.46 C ATOM 612 C ASP A 41 -12.028 4.025 -1.389 1.00 1.07 C ATOM 613 O ASP A 41 -11.408 3.021 -1.027 1.00 0.94 O ATOM 614 CB ASP A 41 -12.651 6.200 -0.176 1.00 1.80 C ATOM 615 CG ASP A 41 -13.839 6.993 0.371 1.00 2.34 C ATOM 616 OD1 ASP A 41 -14.892 7.083 -0.301 1.00 3.56 O ATOM 617 OD2 ASP A 41 -13.752 7.583 1.475 1.00 2.15 O ATOM 0 H ASP A 41 -12.451 3.911 1.369 1.00 1.37 H new ATOM 0 HA ASP A 41 -13.962 4.699 -1.047 1.00 1.46 H new ATOM 0 HB2 ASP A 41 -11.832 6.225 0.543 1.00 1.80 H new ATOM 0 HB3 ASP A 41 -12.287 6.669 -1.090 1.00 1.80 H new ATOM 622 N ILE A 42 -11.888 4.543 -2.618 1.00 0.98 N ATOM 623 CA ILE A 42 -11.074 3.981 -3.707 1.00 0.83 C ATOM 624 C ILE A 42 -9.900 4.915 -4.038 1.00 0.64 C ATOM 625 O ILE A 42 -10.083 6.103 -4.322 1.00 0.66 O ATOM 626 CB ILE A 42 -11.947 3.669 -4.949 1.00 1.00 C ATOM 627 CG1 ILE A 42 -13.042 2.631 -4.595 1.00 1.24 C ATOM 628 CG2 ILE A 42 -11.077 3.150 -6.113 1.00 0.97 C ATOM 629 CD1 ILE A 42 -14.056 2.361 -5.717 1.00 2.13 C ATOM 0 H ILE A 42 -12.360 5.404 -2.893 1.00 0.98 H new ATOM 0 HA ILE A 42 -10.651 3.033 -3.375 1.00 0.83 H new ATOM 0 HB ILE A 42 -12.430 4.593 -5.265 1.00 1.00 H new ATOM 0 HG12 ILE A 42 -12.560 1.691 -4.326 1.00 1.24 H new ATOM 0 HG13 ILE A 42 -13.580 2.977 -3.713 1.00 1.24 H new ATOM 0 HG21 ILE A 42 -11.711 2.937 -6.974 1.00 0.97 H new ATOM 0 HG22 ILE A 42 -10.340 3.907 -6.382 1.00 0.97 H new ATOM 0 HG23 ILE A 42 -10.565 2.238 -5.806 1.00 0.97 H new ATOM 0 HD11 ILE A 42 -14.784 1.623 -5.380 1.00 2.13 H new ATOM 0 HD12 ILE A 42 -14.571 3.287 -5.973 1.00 2.13 H new ATOM 0 HD13 ILE A 42 -13.534 1.981 -6.595 1.00 2.13 H new ATOM 641 N ILE A 43 -8.688 4.356 -4.019 1.00 0.50 N ATOM 642 CA ILE A 43 -7.405 5.052 -4.150 1.00 0.44 C ATOM 643 C ILE A 43 -6.687 4.599 -5.429 1.00 0.47 C ATOM 644 O ILE A 43 -6.443 3.405 -5.626 1.00 0.62 O ATOM 645 CB ILE A 43 -6.539 4.753 -2.897 1.00 0.49 C ATOM 646 CG1 ILE A 43 -7.278 4.981 -1.556 1.00 0.62 C ATOM 647 CG2 ILE A 43 -5.211 5.531 -2.901 1.00 0.56 C ATOM 648 CD1 ILE A 43 -7.868 6.383 -1.354 1.00 0.73 C ATOM 0 H ILE A 43 -8.568 3.349 -3.905 1.00 0.50 H new ATOM 0 HA ILE A 43 -7.573 6.127 -4.221 1.00 0.44 H new ATOM 0 HB ILE A 43 -6.322 3.687 -2.968 1.00 0.49 H new ATOM 0 HG12 ILE A 43 -8.085 4.252 -1.478 1.00 0.62 H new ATOM 0 HG13 ILE A 43 -6.584 4.777 -0.740 1.00 0.62 H new ATOM 0 HG21 ILE A 43 -4.643 5.286 -2.003 1.00 0.56 H new ATOM 0 HG22 ILE A 43 -4.632 5.257 -3.783 1.00 0.56 H new ATOM 0 HG23 ILE A 43 -5.416 6.601 -2.920 1.00 0.56 H new ATOM 0 HD11 ILE A 43 -8.363 6.433 -0.384 1.00 0.73 H new ATOM 0 HD12 ILE A 43 -7.069 7.123 -1.393 1.00 0.73 H new ATOM 0 HD13 ILE A 43 -8.592 6.590 -2.142 1.00 0.73 H new ATOM 660 N LYS A 44 -6.330 5.537 -6.310 1.00 0.52 N ATOM 661 CA LYS A 44 -5.567 5.283 -7.542 1.00 0.56 C ATOM 662 C LYS A 44 -4.053 5.319 -7.289 1.00 0.57 C ATOM 663 O LYS A 44 -3.578 6.155 -6.517 1.00 0.75 O ATOM 664 CB LYS A 44 -6.037 6.300 -8.589 1.00 0.71 C ATOM 665 CG LYS A 44 -5.643 5.872 -10.002 1.00 1.59 C ATOM 666 CD LYS A 44 -6.388 6.689 -11.066 1.00 1.75 C ATOM 667 CE LYS A 44 -6.253 5.908 -12.366 1.00 2.15 C ATOM 668 NZ LYS A 44 -7.003 6.511 -13.496 1.00 2.17 N ATOM 0 H LYS A 44 -6.568 6.521 -6.186 1.00 0.52 H new ATOM 0 HA LYS A 44 -5.755 4.277 -7.916 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -7.120 6.411 -8.530 1.00 0.71 H new ATOM 0 HB3 LYS A 44 -5.604 7.276 -8.369 1.00 0.71 H new ATOM 0 HG2 LYS A 44 -4.568 5.995 -10.134 1.00 1.59 H new ATOM 0 HG3 LYS A 44 -5.861 4.813 -10.136 1.00 1.59 H new ATOM 0 HD2 LYS A 44 -7.436 6.818 -10.796 1.00 1.75 H new ATOM 0 HD3 LYS A 44 -5.959 7.686 -11.164 1.00 1.75 H new ATOM 0 HE2 LYS A 44 -5.198 5.842 -12.634 1.00 2.15 H new ATOM 0 HE3 LYS A 44 -6.606 4.889 -12.208 1.00 2.15 H new ATOM 0 HZ1 LYS A 44 -6.870 5.932 -14.350 1.00 2.17 H new ATOM 0 HZ2 LYS A 44 -8.015 6.551 -13.259 1.00 2.17 H new ATOM 0 HZ3 LYS A 44 -6.651 7.474 -13.672 1.00 2.17 H new ATOM 682 N VAL A 45 -3.287 4.431 -7.932 1.00 0.51 N ATOM 683 CA VAL A 45 -1.817 4.356 -7.776 1.00 0.49 C ATOM 684 C VAL A 45 -1.076 4.661 -9.086 1.00 0.59 C ATOM 685 O VAL A 45 -1.480 4.204 -10.159 1.00 0.73 O ATOM 686 CB VAL A 45 -1.411 3.011 -7.139 1.00 0.49 C ATOM 687 CG1 VAL A 45 -1.406 1.852 -8.138 1.00 0.70 C ATOM 688 CG2 VAL A 45 -0.030 3.080 -6.475 1.00 0.48 C ATOM 0 H VAL A 45 -3.664 3.738 -8.579 1.00 0.51 H new ATOM 0 HA VAL A 45 -1.505 5.141 -7.088 1.00 0.49 H new ATOM 0 HB VAL A 45 -2.174 2.821 -6.385 1.00 0.49 H new ATOM 0 HG11 VAL A 45 -1.112 0.934 -7.629 1.00 0.70 H new ATOM 0 HG12 VAL A 45 -2.404 1.730 -8.559 1.00 0.70 H new ATOM 0 HG13 VAL A 45 -0.698 2.065 -8.939 1.00 0.70 H new ATOM 0 HG21 VAL A 45 0.214 2.111 -6.040 1.00 0.48 H new ATOM 0 HG22 VAL A 45 0.720 3.342 -7.221 1.00 0.48 H new ATOM 0 HG23 VAL A 45 -0.041 3.837 -5.691 1.00 0.48 H new ATOM 698 N VAL A 46 0.000 5.448 -9.015 1.00 0.67 N ATOM 699 CA VAL A 46 0.795 5.885 -10.185 1.00 0.86 C ATOM 700 C VAL A 46 1.889 4.875 -10.589 1.00 0.75 C ATOM 701 O VAL A 46 2.304 4.045 -9.767 1.00 0.61 O ATOM 702 CB VAL A 46 1.398 7.294 -9.959 1.00 1.14 C ATOM 703 CG1 VAL A 46 0.306 8.322 -9.639 1.00 1.32 C ATOM 704 CG2 VAL A 46 2.478 7.350 -8.873 1.00 1.19 C ATOM 0 H VAL A 46 0.357 5.811 -8.131 1.00 0.67 H new ATOM 0 HA VAL A 46 0.098 5.935 -11.022 1.00 0.86 H new ATOM 0 HB VAL A 46 1.883 7.542 -10.903 1.00 1.14 H new ATOM 0 HG11 VAL A 46 0.761 9.301 -9.486 1.00 1.32 H new ATOM 0 HG12 VAL A 46 -0.398 8.375 -10.469 1.00 1.32 H new ATOM 0 HG13 VAL A 46 -0.222 8.022 -8.734 1.00 1.32 H new ATOM 0 HG21 VAL A 46 2.847 8.371 -8.779 1.00 1.19 H new ATOM 0 HG22 VAL A 46 2.054 7.028 -7.922 1.00 1.19 H new ATOM 0 HG23 VAL A 46 3.302 6.690 -9.145 1.00 1.19 H new ATOM 714 N PRO A 47 2.399 4.911 -11.839 1.00 0.88 N ATOM 715 CA PRO A 47 3.613 4.178 -12.200 1.00 0.89 C ATOM 716 C PRO A 47 4.796 4.682 -11.355 1.00 0.88 C ATOM 717 O PRO A 47 4.932 5.884 -11.109 1.00 1.05 O ATOM 718 CB PRO A 47 3.829 4.425 -13.696 1.00 1.11 C ATOM 719 CG PRO A 47 3.124 5.759 -13.938 1.00 1.80 C ATOM 720 CD PRO A 47 1.926 5.672 -12.992 1.00 1.15 C ATOM 0 HA PRO A 47 3.526 3.109 -12.005 1.00 0.89 H new ATOM 0 HB2 PRO A 47 4.889 4.479 -13.946 1.00 1.11 H new ATOM 0 HB3 PRO A 47 3.399 3.627 -14.302 1.00 1.11 H new ATOM 0 HG2 PRO A 47 3.767 6.607 -13.703 1.00 1.80 H new ATOM 0 HG3 PRO A 47 2.814 5.872 -14.977 1.00 1.80 H new ATOM 0 HD2 PRO A 47 1.586 6.664 -12.696 1.00 1.15 H new ATOM 0 HD3 PRO A 47 1.082 5.176 -13.471 1.00 1.15 H new ATOM 728 N GLY A 48 5.626 3.769 -10.850 1.00 0.79 N ATOM 729 CA GLY A 48 6.696 4.072 -9.890 1.00 0.82 C ATOM 730 C GLY A 48 6.227 4.417 -8.464 1.00 0.80 C ATOM 731 O GLY A 48 7.073 4.666 -7.598 1.00 1.02 O ATOM 0 H GLY A 48 5.576 2.781 -11.098 1.00 0.79 H new ATOM 0 HA2 GLY A 48 7.366 3.214 -9.836 1.00 0.82 H new ATOM 0 HA3 GLY A 48 7.280 4.908 -10.274 1.00 0.82 H new ATOM 735 N GLY A 49 4.915 4.465 -8.205 1.00 0.68 N ATOM 736 CA GLY A 49 4.327 4.858 -6.920 1.00 0.68 C ATOM 737 C GLY A 49 4.412 3.803 -5.810 1.00 0.71 C ATOM 738 O GLY A 49 4.966 2.722 -5.999 1.00 1.08 O ATOM 0 H GLY A 49 4.213 4.224 -8.905 1.00 0.68 H new ATOM 0 HA2 GLY A 49 4.823 5.765 -6.575 1.00 0.68 H new ATOM 0 HA3 GLY A 49 3.278 5.109 -7.081 1.00 0.68 H new ATOM 742 N LYS A 50 3.833 4.110 -4.645 1.00 0.66 N ATOM 743 CA LYS A 50 3.769 3.220 -3.468 1.00 0.70 C ATOM 744 C LYS A 50 2.330 2.984 -3.004 1.00 0.76 C ATOM 745 O LYS A 50 1.464 3.835 -3.209 1.00 1.09 O ATOM 746 CB LYS A 50 4.615 3.792 -2.317 1.00 0.90 C ATOM 747 CG LYS A 50 6.070 4.069 -2.718 1.00 1.01 C ATOM 748 CD LYS A 50 6.903 4.496 -1.503 1.00 1.37 C ATOM 749 CE LYS A 50 8.377 4.719 -1.855 1.00 1.50 C ATOM 750 NZ LYS A 50 8.608 5.936 -2.668 1.00 2.04 N ATOM 0 H LYS A 50 3.381 5.010 -4.484 1.00 0.66 H new ATOM 0 HA LYS A 50 4.178 2.255 -3.767 1.00 0.70 H new ATOM 0 HB2 LYS A 50 4.159 4.717 -1.964 1.00 0.90 H new ATOM 0 HB3 LYS A 50 4.602 3.092 -1.482 1.00 0.90 H new ATOM 0 HG2 LYS A 50 6.504 3.175 -3.165 1.00 1.01 H new ATOM 0 HG3 LYS A 50 6.099 4.851 -3.477 1.00 1.01 H new ATOM 0 HD2 LYS A 50 6.489 5.414 -1.086 1.00 1.37 H new ATOM 0 HD3 LYS A 50 6.829 3.733 -0.728 1.00 1.37 H new ATOM 0 HE2 LYS A 50 8.956 4.790 -0.934 1.00 1.50 H new ATOM 0 HE3 LYS A 50 8.749 3.851 -2.399 1.00 1.50 H new ATOM 0 HZ1 LYS A 50 9.623 6.030 -2.872 1.00 2.04 H new ATOM 0 HZ2 LYS A 50 8.081 5.862 -3.561 1.00 2.04 H new ATOM 0 HZ3 LYS A 50 8.282 6.772 -2.142 1.00 2.04 H new ATOM 764 N PHE A 51 2.075 1.862 -2.335 1.00 0.68 N ATOM 765 CA PHE A 51 0.772 1.570 -1.719 1.00 0.72 C ATOM 766 C PHE A 51 0.723 2.125 -0.276 1.00 0.78 C ATOM 767 O PHE A 51 1.575 1.746 0.532 1.00 0.86 O ATOM 768 CB PHE A 51 0.481 0.064 -1.782 1.00 0.71 C ATOM 769 CG PHE A 51 0.312 -0.457 -3.201 1.00 0.61 C ATOM 770 CD1 PHE A 51 1.444 -0.799 -3.961 1.00 1.44 C ATOM 771 CD2 PHE A 51 -0.966 -0.575 -3.780 1.00 1.79 C ATOM 772 CE1 PHE A 51 1.315 -1.233 -5.287 1.00 1.49 C ATOM 773 CE2 PHE A 51 -1.100 -1.034 -5.106 1.00 1.75 C ATOM 774 CZ PHE A 51 0.042 -1.350 -5.862 1.00 0.60 C ATOM 0 H PHE A 51 2.766 1.123 -2.201 1.00 0.68 H new ATOM 0 HA PHE A 51 -0.016 2.072 -2.280 1.00 0.72 H new ATOM 0 HB2 PHE A 51 1.294 -0.477 -1.298 1.00 0.71 H new ATOM 0 HB3 PHE A 51 -0.425 -0.148 -1.214 1.00 0.71 H new ATOM 0 HD1 PHE A 51 2.426 -0.726 -3.517 1.00 1.44 H new ATOM 0 HD2 PHE A 51 -1.844 -0.314 -3.208 1.00 1.79 H new ATOM 0 HE1 PHE A 51 2.194 -1.477 -5.865 1.00 1.49 H new ATOM 0 HE2 PHE A 51 -2.082 -1.143 -5.542 1.00 1.75 H new ATOM 0 HZ PHE A 51 -0.061 -1.682 -6.884 1.00 0.60 H new ATOM 784 N PRO A 52 -0.231 3.013 0.082 1.00 0.76 N ATOM 785 CA PRO A 52 -0.199 3.736 1.362 1.00 0.73 C ATOM 786 C PRO A 52 -0.918 3.039 2.534 1.00 0.74 C ATOM 787 O PRO A 52 -0.642 3.353 3.691 1.00 0.75 O ATOM 788 CB PRO A 52 -0.833 5.096 1.047 1.00 0.71 C ATOM 789 CG PRO A 52 -1.864 4.763 -0.030 1.00 0.72 C ATOM 790 CD PRO A 52 -1.194 3.639 -0.818 1.00 0.74 C ATOM 0 HA PRO A 52 0.828 3.801 1.722 1.00 0.73 H new ATOM 0 HB2 PRO A 52 -1.300 5.536 1.928 1.00 0.71 H new ATOM 0 HB3 PRO A 52 -0.093 5.811 0.688 1.00 0.71 H new ATOM 0 HG2 PRO A 52 -2.811 4.442 0.404 1.00 0.72 H new ATOM 0 HG3 PRO A 52 -2.079 5.625 -0.662 1.00 0.72 H new ATOM 0 HD2 PRO A 52 -1.932 2.914 -1.161 1.00 0.74 H new ATOM 0 HD3 PRO A 52 -0.697 4.031 -1.705 1.00 0.74 H new ATOM 798 N VAL A 53 -1.817 2.098 2.247 1.00 0.75 N ATOM 799 CA VAL A 53 -2.612 1.283 3.188 1.00 0.77 C ATOM 800 C VAL A 53 -2.881 -0.078 2.529 1.00 0.81 C ATOM 801 O VAL A 53 -2.679 -0.223 1.322 1.00 0.90 O ATOM 802 CB VAL A 53 -3.946 1.948 3.605 1.00 0.80 C ATOM 803 CG1 VAL A 53 -3.745 3.026 4.673 1.00 0.85 C ATOM 804 CG2 VAL A 53 -4.694 2.566 2.424 1.00 0.84 C ATOM 0 H VAL A 53 -2.031 1.861 1.278 1.00 0.75 H new ATOM 0 HA VAL A 53 -2.037 1.173 4.107 1.00 0.77 H new ATOM 0 HB VAL A 53 -4.548 1.137 4.016 1.00 0.80 H new ATOM 0 HG11 VAL A 53 -4.708 3.464 4.934 1.00 0.85 H new ATOM 0 HG12 VAL A 53 -3.297 2.580 5.561 1.00 0.85 H new ATOM 0 HG13 VAL A 53 -3.086 3.803 4.286 1.00 0.85 H new ATOM 0 HG21 VAL A 53 -5.621 3.017 2.777 1.00 0.84 H new ATOM 0 HG22 VAL A 53 -4.072 3.331 1.959 1.00 0.84 H new ATOM 0 HG23 VAL A 53 -4.923 1.791 1.693 1.00 0.84 H new ATOM 814 N ASP A 54 -3.311 -1.082 3.295 1.00 0.80 N ATOM 815 CA ASP A 54 -3.727 -2.375 2.732 1.00 0.89 C ATOM 816 C ASP A 54 -5.165 -2.365 2.182 1.00 0.91 C ATOM 817 O ASP A 54 -6.045 -1.640 2.660 1.00 1.05 O ATOM 818 CB ASP A 54 -3.492 -3.517 3.723 1.00 1.19 C ATOM 819 CG ASP A 54 -4.250 -3.354 5.036 1.00 1.27 C ATOM 820 OD1 ASP A 54 -5.425 -3.776 5.137 1.00 2.36 O ATOM 821 OD2 ASP A 54 -3.642 -2.897 6.030 1.00 2.04 O ATOM 0 H ASP A 54 -3.382 -1.027 4.311 1.00 0.80 H new ATOM 0 HA ASP A 54 -3.088 -2.554 1.867 1.00 0.89 H new ATOM 0 HB2 ASP A 54 -3.788 -4.457 3.257 1.00 1.19 H new ATOM 0 HB3 ASP A 54 -2.425 -3.588 3.936 1.00 1.19 H new ATOM 826 N GLY A 55 -5.398 -3.180 1.153 1.00 0.84 N ATOM 827 CA GLY A 55 -6.711 -3.282 0.513 1.00 0.86 C ATOM 828 C GLY A 55 -6.734 -4.197 -0.711 1.00 0.74 C ATOM 829 O GLY A 55 -5.786 -4.943 -0.967 1.00 0.72 O ATOM 0 H GLY A 55 -4.687 -3.785 0.741 1.00 0.84 H new ATOM 0 HA2 GLY A 55 -7.432 -3.650 1.243 1.00 0.86 H new ATOM 0 HA3 GLY A 55 -7.038 -2.286 0.216 1.00 0.86 H new ATOM 833 N ARG A 56 -7.824 -4.118 -1.484 1.00 0.74 N ATOM 834 CA ARG A 56 -8.044 -4.955 -2.677 1.00 0.67 C ATOM 835 C ARG A 56 -8.077 -4.136 -3.969 1.00 0.65 C ATOM 836 O ARG A 56 -8.755 -3.117 -4.066 1.00 0.83 O ATOM 837 CB ARG A 56 -9.273 -5.855 -2.465 1.00 0.75 C ATOM 838 CG ARG A 56 -9.257 -7.097 -3.373 1.00 0.77 C ATOM 839 CD ARG A 56 -10.386 -8.085 -3.056 1.00 0.92 C ATOM 840 NE ARG A 56 -11.713 -7.506 -3.312 1.00 1.92 N ATOM 841 CZ ARG A 56 -12.550 -6.954 -2.455 1.00 2.61 C ATOM 842 NH1 ARG A 56 -12.314 -6.868 -1.174 1.00 3.28 N ATOM 843 NH2 ARG A 56 -13.655 -6.463 -2.929 1.00 3.84 N ATOM 0 H ARG A 56 -8.587 -3.466 -1.300 1.00 0.74 H new ATOM 0 HA ARG A 56 -7.187 -5.616 -2.808 1.00 0.67 H new ATOM 0 HB2 ARG A 56 -9.312 -6.171 -1.423 1.00 0.75 H new ATOM 0 HB3 ARG A 56 -10.178 -5.280 -2.658 1.00 0.75 H new ATOM 0 HG2 ARG A 56 -9.339 -6.781 -4.413 1.00 0.77 H new ATOM 0 HG3 ARG A 56 -8.298 -7.604 -3.269 1.00 0.77 H new ATOM 0 HD2 ARG A 56 -10.261 -8.984 -3.659 1.00 0.92 H new ATOM 0 HD3 ARG A 56 -10.319 -8.389 -2.012 1.00 0.92 H new ATOM 0 HE ARG A 56 -12.028 -7.535 -4.282 1.00 1.92 H new ATOM 0 HH11 ARG A 56 -11.445 -7.239 -0.789 1.00 3.28 H new ATOM 0 HH12 ARG A 56 -12.999 -6.430 -0.558 1.00 3.28 H new ATOM 0 HH21 ARG A 56 -13.848 -6.513 -3.929 1.00 3.84 H new ATOM 0 HH22 ARG A 56 -14.330 -6.027 -2.301 1.00 3.84 H new ATOM 857 N VAL A 57 -7.346 -4.600 -4.976 1.00 0.53 N ATOM 858 CA VAL A 57 -7.266 -4.055 -6.335 1.00 0.51 C ATOM 859 C VAL A 57 -8.502 -4.522 -7.093 1.00 0.51 C ATOM 860 O VAL A 57 -8.793 -5.715 -7.078 1.00 0.54 O ATOM 861 CB VAL A 57 -6.011 -4.610 -7.043 1.00 0.54 C ATOM 862 CG1 VAL A 57 -5.902 -4.118 -8.490 1.00 0.65 C ATOM 863 CG2 VAL A 57 -4.711 -4.255 -6.307 1.00 0.63 C ATOM 0 H VAL A 57 -6.752 -5.422 -4.862 1.00 0.53 H new ATOM 0 HA VAL A 57 -7.210 -2.967 -6.304 1.00 0.51 H new ATOM 0 HB VAL A 57 -6.136 -5.693 -7.035 1.00 0.54 H new ATOM 0 HG11 VAL A 57 -5.005 -4.533 -8.949 1.00 0.65 H new ATOM 0 HG12 VAL A 57 -6.779 -4.441 -9.051 1.00 0.65 H new ATOM 0 HG13 VAL A 57 -5.845 -3.030 -8.501 1.00 0.65 H new ATOM 0 HG21 VAL A 57 -3.861 -4.670 -6.849 1.00 0.63 H new ATOM 0 HG22 VAL A 57 -4.610 -3.171 -6.249 1.00 0.63 H new ATOM 0 HG23 VAL A 57 -4.738 -4.671 -5.300 1.00 0.63 H new ATOM 873 N ILE A 58 -9.212 -3.631 -7.784 1.00 0.53 N ATOM 874 CA ILE A 58 -10.404 -3.993 -8.586 1.00 0.59 C ATOM 875 C ILE A 58 -10.462 -3.230 -9.923 1.00 0.63 C ATOM 876 O ILE A 58 -11.527 -3.033 -10.514 1.00 0.74 O ATOM 877 CB ILE A 58 -11.696 -3.824 -7.740 1.00 0.65 C ATOM 878 CG1 ILE A 58 -11.616 -2.564 -6.854 1.00 0.63 C ATOM 879 CG2 ILE A 58 -11.950 -5.073 -6.875 1.00 0.73 C ATOM 880 CD1 ILE A 58 -12.973 -2.110 -6.306 1.00 0.76 C ATOM 0 H ILE A 58 -8.986 -2.637 -7.811 1.00 0.53 H new ATOM 0 HA ILE A 58 -10.324 -5.046 -8.856 1.00 0.59 H new ATOM 0 HB ILE A 58 -12.533 -3.704 -8.428 1.00 0.65 H new ATOM 0 HG12 ILE A 58 -10.944 -2.760 -6.019 1.00 0.63 H new ATOM 0 HG13 ILE A 58 -11.177 -1.751 -7.432 1.00 0.63 H new ATOM 0 HG21 ILE A 58 -12.860 -4.932 -6.291 1.00 0.73 H new ATOM 0 HG22 ILE A 58 -12.063 -5.945 -7.519 1.00 0.73 H new ATOM 0 HG23 ILE A 58 -11.107 -5.227 -6.202 1.00 0.73 H new ATOM 0 HD11 ILE A 58 -12.838 -1.219 -5.693 1.00 0.76 H new ATOM 0 HD12 ILE A 58 -13.642 -1.881 -7.135 1.00 0.76 H new ATOM 0 HD13 ILE A 58 -13.405 -2.906 -5.700 1.00 0.76 H new ATOM 892 N GLU A 59 -9.283 -2.918 -10.463 1.00 0.61 N ATOM 893 CA GLU A 59 -9.030 -2.411 -11.813 1.00 0.71 C ATOM 894 C GLU A 59 -7.518 -2.451 -12.095 1.00 0.69 C ATOM 895 O GLU A 59 -6.739 -2.192 -11.174 1.00 0.72 O ATOM 896 CB GLU A 59 -9.502 -0.951 -11.914 1.00 0.78 C ATOM 897 CG GLU A 59 -9.765 -0.507 -13.354 1.00 1.17 C ATOM 898 CD GLU A 59 -10.966 -1.236 -13.956 1.00 1.69 C ATOM 899 OE1 GLU A 59 -12.119 -0.782 -13.758 1.00 2.18 O ATOM 900 OE2 GLU A 59 -10.781 -2.264 -14.651 1.00 3.24 O ATOM 0 H GLU A 59 -8.419 -3.020 -9.931 1.00 0.61 H new ATOM 0 HA GLU A 59 -9.568 -3.028 -12.533 1.00 0.71 H new ATOM 0 HB2 GLU A 59 -10.414 -0.828 -11.329 1.00 0.78 H new ATOM 0 HB3 GLU A 59 -8.749 -0.300 -11.470 1.00 0.78 H new ATOM 0 HG2 GLU A 59 -9.942 0.568 -13.377 1.00 1.17 H new ATOM 0 HG3 GLU A 59 -8.880 -0.698 -13.962 1.00 1.17 H new ATOM 907 N GLY A 60 -7.101 -2.695 -13.340 1.00 0.73 N ATOM 908 CA GLY A 60 -5.709 -2.538 -13.781 1.00 0.77 C ATOM 909 C GLY A 60 -4.892 -3.837 -13.812 1.00 0.76 C ATOM 910 O GLY A 60 -5.402 -4.921 -13.525 1.00 0.94 O ATOM 0 H GLY A 60 -7.727 -3.011 -14.081 1.00 0.73 H new ATOM 0 HA2 GLY A 60 -5.706 -2.100 -14.779 1.00 0.77 H new ATOM 0 HA3 GLY A 60 -5.211 -1.828 -13.120 1.00 0.77 H new ATOM 914 N HIS A 61 -3.618 -3.715 -14.202 1.00 0.73 N ATOM 915 CA HIS A 61 -2.748 -4.857 -14.553 1.00 0.83 C ATOM 916 C HIS A 61 -1.265 -4.716 -14.135 1.00 0.89 C ATOM 917 O HIS A 61 -0.367 -5.203 -14.825 1.00 2.12 O ATOM 918 CB HIS A 61 -2.917 -5.157 -16.058 1.00 1.18 C ATOM 919 CG HIS A 61 -2.565 -4.030 -17.007 1.00 1.55 C ATOM 920 ND1 HIS A 61 -1.300 -3.585 -17.333 1.00 3.11 N ATOM 921 CD2 HIS A 61 -3.443 -3.328 -17.792 1.00 2.13 C ATOM 922 CE1 HIS A 61 -1.414 -2.649 -18.287 1.00 3.15 C ATOM 923 NE2 HIS A 61 -2.707 -2.459 -18.615 1.00 2.37 N ATOM 0 H HIS A 61 -3.151 -2.812 -14.286 1.00 0.73 H new ATOM 0 HA HIS A 61 -3.079 -5.709 -13.959 1.00 0.83 H new ATOM 0 HB2 HIS A 61 -2.300 -6.020 -16.307 1.00 1.18 H new ATOM 0 HB3 HIS A 61 -3.953 -5.444 -16.236 1.00 1.18 H new ATOM 0 HD2 HIS A 61 -4.518 -3.426 -17.780 1.00 2.13 H new ATOM 0 HE1 HIS A 61 -0.584 -2.120 -18.731 1.00 3.15 H new ATOM 0 HE2 HIS A 61 -3.076 -1.817 -19.316 1.00 2.37 H new ATOM 931 N SER A 62 -0.985 -4.034 -13.019 1.00 0.65 N ATOM 932 CA SER A 62 0.373 -3.618 -12.635 1.00 0.66 C ATOM 933 C SER A 62 1.206 -4.682 -11.917 1.00 0.71 C ATOM 934 O SER A 62 0.674 -5.686 -11.442 1.00 0.75 O ATOM 935 CB SER A 62 0.320 -2.322 -11.821 1.00 0.75 C ATOM 936 OG SER A 62 1.490 -1.565 -12.024 1.00 1.28 O ATOM 0 H SER A 62 -1.700 -3.751 -12.349 1.00 0.65 H new ATOM 0 HA SER A 62 0.898 -3.451 -13.575 1.00 0.66 H new ATOM 0 HB2 SER A 62 -0.553 -1.738 -12.112 1.00 0.75 H new ATOM 0 HB3 SER A 62 0.209 -2.555 -10.762 1.00 0.75 H new ATOM 0 HG SER A 62 1.986 -1.928 -12.787 1.00 1.28 H new ATOM 942 N MET A 63 2.520 -4.454 -11.813 1.00 0.77 N ATOM 943 CA MET A 63 3.446 -5.327 -11.078 1.00 0.79 C ATOM 944 C MET A 63 3.968 -4.631 -9.809 1.00 0.80 C ATOM 945 O MET A 63 4.273 -3.437 -9.837 1.00 0.95 O ATOM 946 CB MET A 63 4.550 -5.808 -12.027 1.00 0.87 C ATOM 947 CG MET A 63 5.500 -6.801 -11.350 1.00 0.92 C ATOM 948 SD MET A 63 6.466 -7.809 -12.505 1.00 1.06 S ATOM 949 CE MET A 63 5.241 -9.081 -12.918 1.00 0.95 C ATOM 0 H MET A 63 2.977 -3.649 -12.241 1.00 0.77 H new ATOM 0 HA MET A 63 2.925 -6.216 -10.721 1.00 0.79 H new ATOM 0 HB2 MET A 63 4.097 -6.278 -12.900 1.00 0.87 H new ATOM 0 HB3 MET A 63 5.119 -4.950 -12.385 1.00 0.87 H new ATOM 0 HG2 MET A 63 6.185 -6.250 -10.706 1.00 0.92 H new ATOM 0 HG3 MET A 63 4.919 -7.462 -10.707 1.00 0.92 H new ATOM 0 HE1 MET A 63 5.675 -9.788 -13.624 1.00 0.95 H new ATOM 0 HE2 MET A 63 4.945 -9.609 -12.011 1.00 0.95 H new ATOM 0 HE3 MET A 63 4.366 -8.611 -13.367 1.00 0.95 H new ATOM 959 N VAL A 64 4.049 -5.381 -8.704 1.00 0.68 N ATOM 960 CA VAL A 64 4.286 -4.864 -7.345 1.00 0.69 C ATOM 961 C VAL A 64 5.425 -5.593 -6.622 1.00 0.76 C ATOM 962 O VAL A 64 5.480 -6.819 -6.605 1.00 0.88 O ATOM 963 CB VAL A 64 2.983 -4.947 -6.519 1.00 0.66 C ATOM 964 CG1 VAL A 64 3.158 -4.386 -5.103 1.00 0.73 C ATOM 965 CG2 VAL A 64 1.847 -4.167 -7.198 1.00 0.62 C ATOM 0 H VAL A 64 3.949 -6.396 -8.728 1.00 0.68 H new ATOM 0 HA VAL A 64 4.595 -3.823 -7.444 1.00 0.69 H new ATOM 0 HB VAL A 64 2.734 -6.006 -6.458 1.00 0.66 H new ATOM 0 HG11 VAL A 64 2.216 -4.466 -4.561 1.00 0.73 H new ATOM 0 HG12 VAL A 64 3.927 -4.954 -4.579 1.00 0.73 H new ATOM 0 HG13 VAL A 64 3.456 -3.339 -5.161 1.00 0.73 H new ATOM 0 HG21 VAL A 64 0.942 -4.243 -6.595 1.00 0.62 H new ATOM 0 HG22 VAL A 64 2.132 -3.119 -7.295 1.00 0.62 H new ATOM 0 HG23 VAL A 64 1.659 -4.585 -8.187 1.00 0.62 H new ATOM 975 N ASP A 65 6.311 -4.837 -5.977 1.00 0.75 N ATOM 976 CA ASP A 65 7.398 -5.345 -5.134 1.00 0.89 C ATOM 977 C ASP A 65 6.909 -5.588 -3.692 1.00 1.01 C ATOM 978 O ASP A 65 6.682 -4.634 -2.943 1.00 1.19 O ATOM 979 CB ASP A 65 8.561 -4.341 -5.193 1.00 1.17 C ATOM 980 CG ASP A 65 9.766 -4.786 -4.364 1.00 1.44 C ATOM 981 OD1 ASP A 65 10.298 -5.886 -4.633 1.00 1.71 O ATOM 982 OD2 ASP A 65 10.188 -4.041 -3.446 1.00 2.53 O ATOM 0 H ASP A 65 6.294 -3.818 -6.027 1.00 0.75 H new ATOM 0 HA ASP A 65 7.744 -6.310 -5.503 1.00 0.89 H new ATOM 0 HB2 ASP A 65 8.868 -4.207 -6.230 1.00 1.17 H new ATOM 0 HB3 ASP A 65 8.217 -3.371 -4.835 1.00 1.17 H new ATOM 987 N GLU A 66 6.773 -6.853 -3.278 1.00 0.98 N ATOM 988 CA GLU A 66 6.287 -7.261 -1.941 1.00 1.15 C ATOM 989 C GLU A 66 7.404 -7.744 -0.990 1.00 1.18 C ATOM 990 O GLU A 66 7.164 -7.904 0.208 1.00 1.28 O ATOM 991 CB GLU A 66 5.231 -8.383 -2.066 1.00 1.19 C ATOM 992 CG GLU A 66 4.082 -8.107 -3.045 1.00 1.19 C ATOM 993 CD GLU A 66 2.894 -9.070 -2.859 1.00 1.28 C ATOM 994 OE1 GLU A 66 3.086 -10.286 -2.600 1.00 1.91 O ATOM 995 OE2 GLU A 66 1.734 -8.605 -2.980 1.00 2.51 O ATOM 0 H GLU A 66 7.002 -7.648 -3.875 1.00 0.98 H new ATOM 0 HA GLU A 66 5.852 -6.361 -1.506 1.00 1.15 H new ATOM 0 HB2 GLU A 66 5.735 -9.299 -2.375 1.00 1.19 H new ATOM 0 HB3 GLU A 66 4.807 -8.569 -1.079 1.00 1.19 H new ATOM 0 HG2 GLU A 66 3.737 -7.082 -2.913 1.00 1.19 H new ATOM 0 HG3 GLU A 66 4.454 -8.189 -4.066 1.00 1.19 H new ATOM 1002 N SER A 67 8.616 -7.954 -1.523 1.00 1.28 N ATOM 1003 CA SER A 67 9.755 -8.651 -0.891 1.00 1.43 C ATOM 1004 C SER A 67 10.062 -8.342 0.583 1.00 1.48 C ATOM 1005 O SER A 67 10.458 -9.248 1.316 1.00 1.79 O ATOM 1006 CB SER A 67 11.028 -8.436 -1.721 1.00 1.53 C ATOM 1007 OG SER A 67 11.487 -7.095 -1.657 1.00 1.69 O ATOM 0 H SER A 67 8.845 -7.625 -2.461 1.00 1.28 H new ATOM 0 HA SER A 67 9.425 -9.690 -0.879 1.00 1.43 H new ATOM 0 HB2 SER A 67 11.811 -9.104 -1.363 1.00 1.53 H new ATOM 0 HB3 SER A 67 10.832 -8.703 -2.760 1.00 1.53 H new ATOM 0 HG SER A 67 12.299 -7.001 -2.197 1.00 1.69 H new ATOM 1013 N LEU A 68 9.879 -7.104 1.050 1.00 1.28 N ATOM 1014 CA LEU A 68 10.193 -6.701 2.430 1.00 1.26 C ATOM 1015 C LEU A 68 9.033 -7.009 3.401 1.00 1.29 C ATOM 1016 O LEU A 68 9.272 -7.275 4.578 1.00 1.41 O ATOM 1017 CB LEU A 68 10.570 -5.198 2.358 1.00 1.20 C ATOM 1018 CG LEU A 68 11.284 -4.467 3.519 1.00 1.06 C ATOM 1019 CD1 LEU A 68 10.478 -4.346 4.810 1.00 1.10 C ATOM 1020 CD2 LEU A 68 12.655 -5.041 3.862 1.00 0.90 C ATOM 0 H LEU A 68 9.506 -6.345 0.479 1.00 1.28 H new ATOM 0 HA LEU A 68 11.026 -7.273 2.840 1.00 1.26 H new ATOM 0 HB2 LEU A 68 11.200 -5.076 1.477 1.00 1.20 H new ATOM 0 HB3 LEU A 68 9.646 -4.653 2.167 1.00 1.20 H new ATOM 0 HG LEU A 68 11.402 -3.466 3.103 1.00 1.06 H new ATOM 0 HD11 LEU A 68 11.068 -3.818 5.559 1.00 1.10 H new ATOM 0 HD12 LEU A 68 9.560 -3.792 4.615 1.00 1.10 H new ATOM 0 HD13 LEU A 68 10.230 -5.341 5.179 1.00 1.10 H new ATOM 0 HD21 LEU A 68 13.091 -4.475 4.685 1.00 0.90 H new ATOM 0 HD22 LEU A 68 12.549 -6.085 4.156 1.00 0.90 H new ATOM 0 HD23 LEU A 68 13.306 -4.974 2.990 1.00 0.90 H new ATOM 1032 N ILE A 69 7.786 -7.038 2.915 1.00 1.29 N ATOM 1033 CA ILE A 69 6.590 -7.290 3.735 1.00 1.31 C ATOM 1034 C ILE A 69 6.280 -8.791 3.805 1.00 1.36 C ATOM 1035 O ILE A 69 6.217 -9.368 4.894 1.00 1.39 O ATOM 1036 CB ILE A 69 5.365 -6.491 3.222 1.00 1.33 C ATOM 1037 CG1 ILE A 69 5.654 -5.011 2.872 1.00 1.30 C ATOM 1038 CG2 ILE A 69 4.230 -6.584 4.260 1.00 1.37 C ATOM 1039 CD1 ILE A 69 6.225 -4.169 4.015 1.00 1.14 C ATOM 0 H ILE A 69 7.574 -6.885 1.929 1.00 1.29 H new ATOM 0 HA ILE A 69 6.806 -6.941 4.745 1.00 1.31 H new ATOM 0 HB ILE A 69 5.073 -6.952 2.278 1.00 1.33 H new ATOM 0 HG12 ILE A 69 6.354 -4.982 2.037 1.00 1.30 H new ATOM 0 HG13 ILE A 69 4.729 -4.548 2.529 1.00 1.30 H new ATOM 0 HG21 ILE A 69 3.365 -6.024 3.905 1.00 1.37 H new ATOM 0 HG22 ILE A 69 3.952 -7.628 4.403 1.00 1.37 H new ATOM 0 HG23 ILE A 69 4.569 -6.166 5.208 1.00 1.37 H new ATOM 0 HD11 ILE A 69 6.392 -3.149 3.668 1.00 1.14 H new ATOM 0 HD12 ILE A 69 5.520 -4.158 4.846 1.00 1.14 H new ATOM 0 HD13 ILE A 69 7.170 -4.599 4.346 1.00 1.14 H new ATOM 1051 N THR A 70 6.125 -9.442 2.648 1.00 1.39 N ATOM 1052 CA THR A 70 5.754 -10.868 2.541 1.00 1.46 C ATOM 1053 C THR A 70 6.958 -11.810 2.618 1.00 1.63 C ATOM 1054 O THR A 70 6.802 -13.001 2.898 1.00 1.80 O ATOM 1055 CB THR A 70 4.997 -11.131 1.229 1.00 1.19 C ATOM 1056 OG1 THR A 70 5.808 -10.766 0.138 1.00 1.13 O ATOM 1057 CG2 THR A 70 3.706 -10.319 1.114 1.00 1.33 C ATOM 0 H THR A 70 6.254 -8.992 1.742 1.00 1.39 H new ATOM 0 HA THR A 70 5.114 -11.078 3.398 1.00 1.46 H new ATOM 0 HB THR A 70 4.749 -12.192 1.226 1.00 1.19 H new ATOM 0 HG1 THR A 70 5.326 -10.935 -0.699 1.00 1.13 H new ATOM 0 HG21 THR A 70 3.216 -10.547 0.167 1.00 1.33 H new ATOM 0 HG22 THR A 70 3.040 -10.575 1.938 1.00 1.33 H new ATOM 0 HG23 THR A 70 3.940 -9.255 1.154 1.00 1.33 H new ATOM 1065 N GLY A 71 8.166 -11.286 2.391 1.00 1.63 N ATOM 1066 CA GLY A 71 9.423 -12.038 2.341 1.00 1.75 C ATOM 1067 C GLY A 71 9.733 -12.672 0.970 1.00 1.65 C ATOM 1068 O GLY A 71 10.679 -13.455 0.851 1.00 1.79 O ATOM 0 H GLY A 71 8.300 -10.288 2.231 1.00 1.63 H new ATOM 0 HA2 GLY A 71 10.242 -11.372 2.613 1.00 1.75 H new ATOM 0 HA3 GLY A 71 9.391 -12.826 3.093 1.00 1.75 H new ATOM 1072 N GLU A 72 8.963 -12.317 -0.064 1.00 1.45 N ATOM 1073 CA GLU A 72 9.209 -12.672 -1.470 1.00 1.28 C ATOM 1074 C GLU A 72 10.568 -12.137 -1.988 1.00 1.48 C ATOM 1075 O GLU A 72 11.362 -11.545 -1.256 1.00 2.83 O ATOM 1076 CB GLU A 72 8.018 -12.183 -2.325 1.00 1.23 C ATOM 1077 CG GLU A 72 6.738 -13.015 -2.134 1.00 1.05 C ATOM 1078 CD GLU A 72 6.924 -14.478 -2.562 1.00 1.10 C ATOM 1079 OE1 GLU A 72 6.923 -14.756 -3.786 1.00 1.86 O ATOM 1080 OE2 GLU A 72 7.126 -15.356 -1.692 1.00 2.11 O ATOM 0 H GLU A 72 8.121 -11.755 0.057 1.00 1.45 H new ATOM 0 HA GLU A 72 9.282 -13.756 -1.552 1.00 1.28 H new ATOM 0 HB2 GLU A 72 7.806 -11.143 -2.076 1.00 1.23 H new ATOM 0 HB3 GLU A 72 8.303 -12.207 -3.377 1.00 1.23 H new ATOM 0 HG2 GLU A 72 6.438 -12.981 -1.087 1.00 1.05 H new ATOM 0 HG3 GLU A 72 5.928 -12.570 -2.712 1.00 1.05 H new ATOM 1087 N ALA A 73 10.863 -12.363 -3.265 1.00 1.31 N ATOM 1088 CA ALA A 73 12.129 -12.005 -3.916 1.00 1.33 C ATOM 1089 C ALA A 73 11.986 -11.537 -5.377 1.00 1.06 C ATOM 1090 O ALA A 73 12.875 -10.840 -5.864 1.00 1.38 O ATOM 1091 CB ALA A 73 13.066 -13.212 -3.830 1.00 1.90 C ATOM 0 H ALA A 73 10.207 -12.816 -3.901 1.00 1.31 H new ATOM 0 HA ALA A 73 12.535 -11.143 -3.386 1.00 1.33 H new ATOM 0 HB1 ALA A 73 14.015 -12.970 -4.308 1.00 1.90 H new ATOM 0 HB2 ALA A 73 13.240 -13.464 -2.784 1.00 1.90 H new ATOM 0 HB3 ALA A 73 12.611 -14.063 -4.337 1.00 1.90 H new ATOM 1097 N MET A 74 10.882 -11.875 -6.058 1.00 0.96 N ATOM 1098 CA MET A 74 10.535 -11.369 -7.396 1.00 0.88 C ATOM 1099 C MET A 74 9.198 -10.598 -7.376 1.00 0.83 C ATOM 1100 O MET A 74 8.260 -11.047 -6.701 1.00 0.91 O ATOM 1101 CB MET A 74 10.491 -12.514 -8.419 1.00 1.16 C ATOM 1102 CG MET A 74 11.879 -13.125 -8.659 1.00 2.24 C ATOM 1103 SD MET A 74 11.918 -14.497 -9.850 1.00 2.76 S ATOM 1104 CE MET A 74 11.582 -13.622 -11.404 1.00 4.23 C ATOM 0 H MET A 74 10.188 -12.523 -5.686 1.00 0.96 H new ATOM 0 HA MET A 74 11.315 -10.671 -7.699 1.00 0.88 H new ATOM 0 HB2 MET A 74 9.810 -13.289 -8.067 1.00 1.16 H new ATOM 0 HB3 MET A 74 10.091 -12.142 -9.362 1.00 1.16 H new ATOM 0 HG2 MET A 74 12.549 -12.340 -9.009 1.00 2.24 H new ATOM 0 HG3 MET A 74 12.273 -13.479 -7.707 1.00 2.24 H new ATOM 0 HE1 MET A 74 11.662 -14.319 -12.238 1.00 4.23 H new ATOM 0 HE2 MET A 74 10.576 -13.204 -11.376 1.00 4.23 H new ATOM 0 HE3 MET A 74 12.306 -12.817 -11.532 1.00 4.23 H new ATOM 1114 N PRO A 75 9.065 -9.472 -8.112 1.00 1.00 N ATOM 1115 CA PRO A 75 7.831 -8.682 -8.169 1.00 1.02 C ATOM 1116 C PRO A 75 6.611 -9.465 -8.682 1.00 0.89 C ATOM 1117 O PRO A 75 6.729 -10.330 -9.557 1.00 1.05 O ATOM 1118 CB PRO A 75 8.149 -7.474 -9.052 1.00 1.34 C ATOM 1119 CG PRO A 75 9.652 -7.295 -8.877 1.00 2.18 C ATOM 1120 CD PRO A 75 10.138 -8.738 -8.774 1.00 1.48 C ATOM 0 HA PRO A 75 7.536 -8.384 -7.163 1.00 1.02 H new ATOM 0 HB2 PRO A 75 7.885 -7.657 -10.094 1.00 1.34 H new ATOM 0 HB3 PRO A 75 7.599 -6.588 -8.734 1.00 1.34 H new ATOM 0 HG2 PRO A 75 10.101 -6.773 -9.722 1.00 2.18 H new ATOM 0 HG3 PRO A 75 9.892 -6.720 -7.983 1.00 2.18 H new ATOM 0 HD2 PRO A 75 10.345 -9.153 -9.761 1.00 1.48 H new ATOM 0 HD3 PRO A 75 11.064 -8.799 -8.202 1.00 1.48 H new ATOM 1128 N VAL A 76 5.437 -9.153 -8.130 1.00 0.78 N ATOM 1129 CA VAL A 76 4.166 -9.887 -8.260 1.00 0.71 C ATOM 1130 C VAL A 76 3.173 -9.156 -9.163 1.00 0.67 C ATOM 1131 O VAL A 76 2.912 -7.969 -8.974 1.00 0.67 O ATOM 1132 CB VAL A 76 3.537 -10.107 -6.864 1.00 0.77 C ATOM 1133 CG1 VAL A 76 2.301 -11.015 -6.928 1.00 0.81 C ATOM 1134 CG2 VAL A 76 4.531 -10.749 -5.888 1.00 0.83 C ATOM 0 H VAL A 76 5.337 -8.327 -7.540 1.00 0.78 H new ATOM 0 HA VAL A 76 4.389 -10.849 -8.721 1.00 0.71 H new ATOM 0 HB VAL A 76 3.252 -9.115 -6.512 1.00 0.77 H new ATOM 0 HG11 VAL A 76 1.891 -11.143 -5.926 1.00 0.81 H new ATOM 0 HG12 VAL A 76 1.549 -10.561 -7.573 1.00 0.81 H new ATOM 0 HG13 VAL A 76 2.584 -11.987 -7.331 1.00 0.81 H new ATOM 0 HG21 VAL A 76 4.052 -10.887 -4.919 1.00 0.83 H new ATOM 0 HG22 VAL A 76 4.849 -11.716 -6.277 1.00 0.83 H new ATOM 0 HG23 VAL A 76 5.399 -10.100 -5.774 1.00 0.83 H new ATOM 1144 N ALA A 77 2.562 -9.865 -10.112 1.00 0.71 N ATOM 1145 CA ALA A 77 1.538 -9.309 -10.994 1.00 0.70 C ATOM 1146 C ALA A 77 0.169 -9.202 -10.289 1.00 0.63 C ATOM 1147 O ALA A 77 -0.281 -10.146 -9.627 1.00 0.70 O ATOM 1148 CB ALA A 77 1.465 -10.170 -12.261 1.00 0.83 C ATOM 0 H ALA A 77 2.766 -10.848 -10.291 1.00 0.71 H new ATOM 0 HA ALA A 77 1.811 -8.290 -11.267 1.00 0.70 H new ATOM 0 HB1 ALA A 77 0.705 -9.768 -12.931 1.00 0.83 H new ATOM 0 HB2 ALA A 77 2.432 -10.161 -12.763 1.00 0.83 H new ATOM 0 HB3 ALA A 77 1.206 -11.194 -11.991 1.00 0.83 H new ATOM 1154 N LYS A 78 -0.506 -8.059 -10.451 1.00 0.57 N ATOM 1155 CA LYS A 78 -1.853 -7.757 -9.932 1.00 0.55 C ATOM 1156 C LYS A 78 -2.884 -7.668 -11.057 1.00 0.58 C ATOM 1157 O LYS A 78 -2.543 -7.373 -12.204 1.00 0.70 O ATOM 1158 CB LYS A 78 -1.828 -6.459 -9.098 1.00 0.63 C ATOM 1159 CG LYS A 78 -0.826 -6.457 -7.929 1.00 0.65 C ATOM 1160 CD LYS A 78 -1.115 -7.559 -6.895 1.00 0.67 C ATOM 1161 CE LYS A 78 -0.051 -7.607 -5.787 1.00 0.74 C ATOM 1162 NZ LYS A 78 -0.413 -8.539 -4.684 1.00 0.87 N ATOM 0 H LYS A 78 -0.111 -7.277 -10.974 1.00 0.57 H new ATOM 0 HA LYS A 78 -2.155 -8.580 -9.284 1.00 0.55 H new ATOM 0 HB2 LYS A 78 -1.594 -5.624 -9.759 1.00 0.63 H new ATOM 0 HB3 LYS A 78 -2.827 -6.281 -8.701 1.00 0.63 H new ATOM 0 HG2 LYS A 78 0.183 -6.588 -8.321 1.00 0.65 H new ATOM 0 HG3 LYS A 78 -0.853 -5.486 -7.435 1.00 0.65 H new ATOM 0 HD2 LYS A 78 -2.095 -7.389 -6.449 1.00 0.67 H new ATOM 0 HD3 LYS A 78 -1.158 -8.525 -7.398 1.00 0.67 H new ATOM 0 HE2 LYS A 78 0.903 -7.913 -6.217 1.00 0.74 H new ATOM 0 HE3 LYS A 78 0.089 -6.606 -5.380 1.00 0.74 H new ATOM 0 HZ1 LYS A 78 0.338 -8.533 -3.964 1.00 0.87 H new ATOM 0 HZ2 LYS A 78 -1.309 -8.235 -4.252 1.00 0.87 H new ATOM 0 HZ3 LYS A 78 -0.521 -9.501 -5.064 1.00 0.87 H new ATOM 1176 N LYS A 79 -4.148 -7.906 -10.709 1.00 0.56 N ATOM 1177 CA LYS A 79 -5.337 -7.862 -11.577 1.00 0.61 C ATOM 1178 C LYS A 79 -6.561 -7.499 -10.705 1.00 0.57 C ATOM 1179 O LYS A 79 -6.407 -7.455 -9.478 1.00 0.56 O ATOM 1180 CB LYS A 79 -5.444 -9.222 -12.309 1.00 0.75 C ATOM 1181 CG LYS A 79 -5.839 -10.395 -11.406 1.00 1.90 C ATOM 1182 CD LYS A 79 -5.562 -11.781 -12.000 1.00 2.04 C ATOM 1183 CE LYS A 79 -6.489 -12.174 -13.152 1.00 1.94 C ATOM 1184 NZ LYS A 79 -6.112 -13.508 -13.671 1.00 2.28 N ATOM 0 H LYS A 79 -4.391 -8.152 -9.749 1.00 0.56 H new ATOM 0 HA LYS A 79 -5.276 -7.096 -12.351 1.00 0.61 H new ATOM 0 HB2 LYS A 79 -6.177 -9.133 -13.111 1.00 0.75 H new ATOM 0 HB3 LYS A 79 -4.485 -9.446 -12.777 1.00 0.75 H new ATOM 0 HG2 LYS A 79 -5.303 -10.306 -10.461 1.00 1.90 H new ATOM 0 HG3 LYS A 79 -6.902 -10.318 -11.177 1.00 1.90 H new ATOM 0 HD2 LYS A 79 -4.531 -11.812 -12.353 1.00 2.04 H new ATOM 0 HD3 LYS A 79 -5.650 -12.526 -11.209 1.00 2.04 H new ATOM 0 HE2 LYS A 79 -7.524 -12.187 -12.809 1.00 1.94 H new ATOM 0 HE3 LYS A 79 -6.427 -11.433 -13.949 1.00 1.94 H new ATOM 0 HZ1 LYS A 79 -6.746 -13.768 -14.453 1.00 2.28 H new ATOM 0 HZ2 LYS A 79 -5.131 -13.482 -14.015 1.00 2.28 H new ATOM 0 HZ3 LYS A 79 -6.194 -14.212 -12.910 1.00 2.28 H new ATOM 1198 N PRO A 80 -7.768 -7.230 -11.240 1.00 0.59 N ATOM 1199 CA PRO A 80 -8.950 -7.075 -10.392 1.00 0.61 C ATOM 1200 C PRO A 80 -9.178 -8.296 -9.478 1.00 0.62 C ATOM 1201 O PRO A 80 -8.921 -9.441 -9.854 1.00 0.83 O ATOM 1202 CB PRO A 80 -10.127 -6.804 -11.340 1.00 0.72 C ATOM 1203 CG PRO A 80 -9.637 -7.326 -12.690 1.00 0.77 C ATOM 1204 CD PRO A 80 -8.134 -7.058 -12.638 1.00 0.66 C ATOM 0 HA PRO A 80 -8.827 -6.245 -9.696 1.00 0.61 H new ATOM 0 HB2 PRO A 80 -11.030 -7.322 -11.015 1.00 0.72 H new ATOM 0 HB3 PRO A 80 -10.367 -5.742 -11.385 1.00 0.72 H new ATOM 0 HG2 PRO A 80 -9.854 -8.387 -12.815 1.00 0.77 H new ATOM 0 HG3 PRO A 80 -10.111 -6.804 -13.521 1.00 0.77 H new ATOM 0 HD2 PRO A 80 -7.587 -7.751 -13.277 1.00 0.66 H new ATOM 0 HD3 PRO A 80 -7.900 -6.052 -12.986 1.00 0.66 H new ATOM 1212 N GLY A 81 -9.617 -8.039 -8.247 1.00 0.61 N ATOM 1213 CA GLY A 81 -9.772 -9.029 -7.183 1.00 0.66 C ATOM 1214 C GLY A 81 -8.481 -9.421 -6.446 1.00 0.69 C ATOM 1215 O GLY A 81 -8.509 -10.427 -5.740 1.00 1.09 O ATOM 0 H GLY A 81 -9.885 -7.100 -7.952 1.00 0.61 H new ATOM 0 HA2 GLY A 81 -10.483 -8.642 -6.453 1.00 0.66 H new ATOM 0 HA3 GLY A 81 -10.212 -9.930 -7.611 1.00 0.66 H new ATOM 1219 N SER A 82 -7.354 -8.700 -6.583 1.00 0.52 N ATOM 1220 CA SER A 82 -6.078 -9.055 -5.902 1.00 0.49 C ATOM 1221 C SER A 82 -5.897 -8.261 -4.607 1.00 0.52 C ATOM 1222 O SER A 82 -6.226 -7.080 -4.607 1.00 0.55 O ATOM 1223 CB SER A 82 -4.862 -8.712 -6.775 1.00 0.50 C ATOM 1224 OG SER A 82 -4.785 -9.473 -7.958 1.00 1.42 O ATOM 0 H SER A 82 -7.293 -7.862 -7.161 1.00 0.52 H new ATOM 0 HA SER A 82 -6.136 -10.126 -5.706 1.00 0.49 H new ATOM 0 HB2 SER A 82 -4.899 -7.654 -7.035 1.00 0.50 H new ATOM 0 HB3 SER A 82 -3.953 -8.866 -6.194 1.00 0.50 H new ATOM 0 HG SER A 82 -3.868 -9.451 -8.302 1.00 1.42 H new ATOM 1230 N THR A 83 -5.311 -8.805 -3.534 1.00 0.81 N ATOM 1231 CA THR A 83 -4.980 -7.996 -2.335 1.00 0.77 C ATOM 1232 C THR A 83 -3.570 -7.387 -2.394 1.00 0.72 C ATOM 1233 O THR A 83 -2.698 -7.844 -3.143 1.00 0.73 O ATOM 1234 CB THR A 83 -5.228 -8.740 -1.009 1.00 0.89 C ATOM 1235 OG1 THR A 83 -4.344 -9.821 -0.840 1.00 1.01 O ATOM 1236 CG2 THR A 83 -6.661 -9.266 -0.913 1.00 0.93 C ATOM 0 H THR A 83 -5.055 -9.790 -3.462 1.00 0.81 H new ATOM 0 HA THR A 83 -5.683 -7.163 -2.354 1.00 0.77 H new ATOM 0 HB THR A 83 -5.056 -8.008 -0.220 1.00 0.89 H new ATOM 0 HG1 THR A 83 -4.531 -10.267 0.013 1.00 1.01 H new ATOM 0 HG21 THR A 83 -6.795 -9.784 0.036 1.00 0.93 H new ATOM 0 HG22 THR A 83 -7.360 -8.432 -0.973 1.00 0.93 H new ATOM 0 HG23 THR A 83 -6.851 -9.958 -1.734 1.00 0.93 H new ATOM 1244 N VAL A 84 -3.362 -6.304 -1.636 1.00 0.70 N ATOM 1245 CA VAL A 84 -2.084 -5.591 -1.459 1.00 0.71 C ATOM 1246 C VAL A 84 -1.875 -5.135 -0.008 1.00 0.78 C ATOM 1247 O VAL A 84 -2.832 -4.945 0.745 1.00 0.79 O ATOM 1248 CB VAL A 84 -1.949 -4.375 -2.409 1.00 0.64 C ATOM 1249 CG1 VAL A 84 -1.694 -4.815 -3.855 1.00 0.59 C ATOM 1250 CG2 VAL A 84 -3.161 -3.435 -2.385 1.00 0.61 C ATOM 0 H VAL A 84 -4.117 -5.876 -1.100 1.00 0.70 H new ATOM 0 HA VAL A 84 -1.308 -6.312 -1.714 1.00 0.71 H new ATOM 0 HB VAL A 84 -1.091 -3.821 -2.029 1.00 0.64 H new ATOM 0 HG11 VAL A 84 -1.605 -3.935 -4.493 1.00 0.59 H new ATOM 0 HG12 VAL A 84 -0.771 -5.393 -3.902 1.00 0.59 H new ATOM 0 HG13 VAL A 84 -2.525 -5.430 -4.200 1.00 0.59 H new ATOM 0 HG21 VAL A 84 -2.994 -2.608 -3.075 1.00 0.61 H new ATOM 0 HG22 VAL A 84 -4.053 -3.984 -2.686 1.00 0.61 H new ATOM 0 HG23 VAL A 84 -3.299 -3.044 -1.377 1.00 0.61 H new ATOM 1260 N ILE A 85 -0.609 -4.929 0.356 1.00 0.84 N ATOM 1261 CA ILE A 85 -0.119 -4.373 1.631 1.00 0.86 C ATOM 1262 C ILE A 85 0.553 -3.010 1.432 1.00 0.89 C ATOM 1263 O ILE A 85 1.143 -2.736 0.381 1.00 1.10 O ATOM 1264 CB ILE A 85 0.850 -5.334 2.378 1.00 0.82 C ATOM 1265 CG1 ILE A 85 1.605 -6.363 1.502 1.00 1.06 C ATOM 1266 CG2 ILE A 85 0.071 -6.107 3.445 1.00 1.06 C ATOM 1267 CD1 ILE A 85 2.480 -5.735 0.416 1.00 0.81 C ATOM 0 H ILE A 85 0.160 -5.161 -0.272 1.00 0.84 H new ATOM 0 HA ILE A 85 -1.004 -4.245 2.255 1.00 0.86 H new ATOM 0 HB ILE A 85 1.615 -4.678 2.793 1.00 0.82 H new ATOM 0 HG12 ILE A 85 2.231 -6.982 2.145 1.00 1.06 H new ATOM 0 HG13 ILE A 85 0.879 -7.025 1.031 1.00 1.06 H new ATOM 0 HG21 ILE A 85 0.746 -6.782 3.971 1.00 1.06 H new ATOM 0 HG22 ILE A 85 -0.367 -5.406 4.155 1.00 1.06 H new ATOM 0 HG23 ILE A 85 -0.722 -6.685 2.970 1.00 1.06 H new ATOM 0 HD11 ILE A 85 2.974 -6.522 -0.153 1.00 0.81 H new ATOM 0 HD12 ILE A 85 1.859 -5.139 -0.253 1.00 0.81 H new ATOM 0 HD13 ILE A 85 3.231 -5.095 0.879 1.00 0.81 H new ATOM 1279 N ALA A 86 0.504 -2.172 2.471 1.00 0.87 N ATOM 1280 CA ALA A 86 1.189 -0.884 2.494 1.00 0.84 C ATOM 1281 C ALA A 86 2.723 -1.032 2.388 1.00 0.85 C ATOM 1282 O ALA A 86 3.282 -2.077 2.712 1.00 0.88 O ATOM 1283 CB ALA A 86 0.777 -0.135 3.766 1.00 0.88 C ATOM 0 H ALA A 86 -0.017 -2.373 3.325 1.00 0.87 H new ATOM 0 HA ALA A 86 0.890 -0.308 1.618 1.00 0.84 H new ATOM 0 HB1 ALA A 86 1.281 0.831 3.799 1.00 0.88 H new ATOM 0 HB2 ALA A 86 -0.302 0.018 3.764 1.00 0.88 H new ATOM 0 HB3 ALA A 86 1.059 -0.721 4.641 1.00 0.88 H new ATOM 1289 N GLY A 87 3.412 0.008 1.912 1.00 0.86 N ATOM 1290 CA GLY A 87 4.878 0.021 1.776 1.00 0.92 C ATOM 1291 C GLY A 87 5.430 -0.830 0.622 1.00 0.96 C ATOM 1292 O GLY A 87 6.643 -0.886 0.420 1.00 1.15 O ATOM 0 H GLY A 87 2.968 0.874 1.606 1.00 0.86 H new ATOM 0 HA2 GLY A 87 5.206 1.051 1.637 1.00 0.92 H new ATOM 0 HA3 GLY A 87 5.318 -0.330 2.709 1.00 0.92 H new ATOM 1296 N SER A 88 4.568 -1.495 -0.149 1.00 0.88 N ATOM 1297 CA SER A 88 4.949 -2.134 -1.413 1.00 0.88 C ATOM 1298 C SER A 88 5.069 -1.094 -2.539 1.00 0.77 C ATOM 1299 O SER A 88 4.455 -0.021 -2.478 1.00 0.73 O ATOM 1300 CB SER A 88 3.988 -3.273 -1.763 1.00 0.92 C ATOM 1301 OG SER A 88 2.647 -2.839 -1.883 1.00 1.72 O ATOM 0 H SER A 88 3.582 -1.607 0.085 1.00 0.88 H new ATOM 0 HA SER A 88 5.935 -2.582 -1.292 1.00 0.88 H new ATOM 0 HB2 SER A 88 4.302 -3.733 -2.700 1.00 0.92 H new ATOM 0 HB3 SER A 88 4.049 -4.043 -0.994 1.00 0.92 H new ATOM 0 HG SER A 88 2.201 -2.910 -1.013 1.00 1.72 H new ATOM 1307 N ILE A 89 5.895 -1.385 -3.552 1.00 0.77 N ATOM 1308 CA ILE A 89 6.256 -0.429 -4.619 1.00 0.79 C ATOM 1309 C ILE A 89 5.694 -0.880 -5.976 1.00 0.69 C ATOM 1310 O ILE A 89 5.856 -2.039 -6.365 1.00 0.68 O ATOM 1311 CB ILE A 89 7.788 -0.195 -4.698 1.00 1.04 C ATOM 1312 CG1 ILE A 89 8.541 -0.219 -3.344 1.00 1.29 C ATOM 1313 CG2 ILE A 89 8.061 1.131 -5.432 1.00 1.01 C ATOM 1314 CD1 ILE A 89 8.147 0.856 -2.324 1.00 1.32 C ATOM 0 H ILE A 89 6.338 -2.297 -3.659 1.00 0.77 H new ATOM 0 HA ILE A 89 5.800 0.527 -4.363 1.00 0.79 H new ATOM 0 HB ILE A 89 8.186 -1.048 -5.248 1.00 1.04 H new ATOM 0 HG12 ILE A 89 8.389 -1.196 -2.886 1.00 1.29 H new ATOM 0 HG13 ILE A 89 9.608 -0.124 -3.545 1.00 1.29 H new ATOM 0 HG21 ILE A 89 9.136 1.300 -5.490 1.00 1.01 H new ATOM 0 HG22 ILE A 89 7.647 1.082 -6.439 1.00 1.01 H new ATOM 0 HG23 ILE A 89 7.594 1.951 -4.887 1.00 1.01 H new ATOM 0 HD11 ILE A 89 8.743 0.735 -1.419 1.00 1.32 H new ATOM 0 HD12 ILE A 89 8.328 1.844 -2.748 1.00 1.32 H new ATOM 0 HD13 ILE A 89 7.090 0.755 -2.079 1.00 1.32 H new ATOM 1326 N ASN A 90 5.045 0.024 -6.707 1.00 0.70 N ATOM 1327 CA ASN A 90 4.363 -0.234 -7.976 1.00 0.70 C ATOM 1328 C ASN A 90 5.257 0.055 -9.201 1.00 0.82 C ATOM 1329 O ASN A 90 6.080 0.974 -9.181 1.00 0.98 O ATOM 1330 CB ASN A 90 3.074 0.611 -8.008 1.00 0.70 C ATOM 1331 CG ASN A 90 2.097 0.085 -9.030 1.00 0.85 C ATOM 1332 OD1 ASN A 90 1.684 -1.059 -8.982 1.00 1.68 O ATOM 1333 ND2 ASN A 90 1.706 0.876 -9.994 1.00 0.59 N ATOM 0 H ASN A 90 4.976 1.000 -6.419 1.00 0.70 H new ATOM 0 HA ASN A 90 4.120 -1.295 -8.037 1.00 0.70 H new ATOM 0 HB2 ASN A 90 2.609 0.606 -7.022 1.00 0.70 H new ATOM 0 HB3 ASN A 90 3.322 1.647 -8.239 1.00 0.70 H new ATOM 0 HD21 ASN A 90 1.057 0.534 -10.703 1.00 0.59 H new ATOM 0 HD22 ASN A 90 2.050 1.835 -10.038 1.00 0.59 H new ATOM 1340 N GLN A 91 5.059 -0.694 -10.292 1.00 0.84 N ATOM 1341 CA GLN A 91 5.831 -0.567 -11.533 1.00 0.96 C ATOM 1342 C GLN A 91 5.121 0.306 -12.590 1.00 1.70 C ATOM 1343 O GLN A 91 5.361 1.509 -12.657 1.00 3.41 O ATOM 1344 CB GLN A 91 6.208 -1.972 -12.042 1.00 1.14 C ATOM 1345 CG GLN A 91 7.277 -1.945 -13.145 1.00 1.58 C ATOM 1346 CD GLN A 91 8.679 -1.859 -12.548 1.00 2.31 C ATOM 1347 OE1 GLN A 91 9.297 -2.872 -12.240 1.00 3.42 O ATOM 1348 NE2 GLN A 91 9.194 -0.678 -12.282 1.00 2.57 N ATOM 0 H GLN A 91 4.344 -1.420 -10.338 1.00 0.84 H new ATOM 0 HA GLN A 91 6.755 -0.028 -11.322 1.00 0.96 H new ATOM 0 HB2 GLN A 91 6.572 -2.570 -11.206 1.00 1.14 H new ATOM 0 HB3 GLN A 91 5.314 -2.466 -12.422 1.00 1.14 H new ATOM 0 HG2 GLN A 91 7.194 -2.842 -13.759 1.00 1.58 H new ATOM 0 HG3 GLN A 91 7.105 -1.092 -13.802 1.00 1.58 H new ATOM 0 HE21 GLN A 91 8.685 0.169 -12.535 1.00 2.57 H new ATOM 0 HE22 GLN A 91 10.102 -0.609 -11.822 1.00 2.57 H new ATOM 1357 N ASN A 92 4.269 -0.300 -13.421 1.00 1.04 N ATOM 1358 CA ASN A 92 3.496 0.282 -14.528 1.00 1.55 C ATOM 1359 C ASN A 92 2.246 -0.588 -14.739 1.00 1.25 C ATOM 1360 O ASN A 92 2.328 -1.797 -14.506 1.00 2.83 O ATOM 1361 CB ASN A 92 4.363 0.269 -15.795 1.00 2.55 C ATOM 1362 CG ASN A 92 3.559 0.537 -17.033 1.00 2.94 C ATOM 1363 OD1 ASN A 92 3.101 -0.375 -17.711 1.00 2.73 O ATOM 1364 ND2 ASN A 92 3.259 1.763 -17.309 1.00 4.41 N ATOM 0 H ASN A 92 4.084 -1.299 -13.331 1.00 1.04 H new ATOM 0 HA ASN A 92 3.203 1.308 -14.306 1.00 1.55 H new ATOM 0 HB2 ASN A 92 5.148 1.020 -15.704 1.00 2.55 H new ATOM 0 HB3 ASN A 92 4.856 -0.699 -15.886 1.00 2.55 H new ATOM 0 HD21 ASN A 92 2.640 1.973 -18.092 1.00 4.41 H new ATOM 0 HD22 ASN A 92 3.641 2.521 -16.744 1.00 4.41 H new ATOM 1371 N GLY A 93 1.098 -0.041 -15.143 1.00 0.90 N ATOM 1372 CA GLY A 93 -0.164 -0.782 -15.309 1.00 1.50 C ATOM 1373 C GLY A 93 -1.336 -0.278 -14.450 1.00 1.68 C ATOM 1374 O GLY A 93 -2.212 -1.077 -14.124 1.00 2.99 O ATOM 0 H GLY A 93 1.013 0.950 -15.370 1.00 0.90 H new ATOM 0 HA2 GLY A 93 -0.458 -0.738 -16.358 1.00 1.50 H new ATOM 0 HA3 GLY A 93 0.015 -1.831 -15.072 1.00 1.50 H new ATOM 1378 N SER A 94 -1.294 1.000 -14.040 1.00 0.98 N ATOM 1379 CA SER A 94 -2.333 1.828 -13.387 1.00 0.90 C ATOM 1380 C SER A 94 -3.510 1.078 -12.730 1.00 0.80 C ATOM 1381 O SER A 94 -4.485 0.706 -13.391 1.00 0.93 O ATOM 1382 CB SER A 94 -2.848 2.855 -14.403 1.00 1.33 C ATOM 1383 OG SER A 94 -3.470 3.944 -13.748 1.00 1.74 O ATOM 0 H SER A 94 -0.440 1.542 -14.170 1.00 0.98 H new ATOM 0 HA SER A 94 -1.836 2.299 -12.539 1.00 0.90 H new ATOM 0 HB2 SER A 94 -2.020 3.217 -15.012 1.00 1.33 H new ATOM 0 HB3 SER A 94 -3.558 2.379 -15.080 1.00 1.33 H new ATOM 0 HG SER A 94 -3.789 4.588 -14.415 1.00 1.74 H new ATOM 1389 N LEU A 95 -3.428 0.883 -11.408 1.00 0.80 N ATOM 1390 CA LEU A 95 -4.441 0.187 -10.602 1.00 0.68 C ATOM 1391 C LEU A 95 -5.337 1.149 -9.804 1.00 0.61 C ATOM 1392 O LEU A 95 -4.903 2.229 -9.390 1.00 0.63 O ATOM 1393 CB LEU A 95 -3.775 -0.755 -9.578 1.00 0.58 C ATOM 1394 CG LEU A 95 -2.736 -1.778 -10.041 1.00 0.82 C ATOM 1395 CD1 LEU A 95 -2.227 -2.561 -8.833 1.00 0.83 C ATOM 1396 CD2 LEU A 95 -3.318 -2.765 -11.038 1.00 1.07 C ATOM 0 H LEU A 95 -2.637 1.212 -10.855 1.00 0.80 H new ATOM 0 HA LEU A 95 -5.049 -0.365 -11.319 1.00 0.68 H new ATOM 0 HB2 LEU A 95 -3.299 -0.129 -8.823 1.00 0.58 H new ATOM 0 HB3 LEU A 95 -4.572 -1.306 -9.079 1.00 0.58 H new ATOM 0 HG LEU A 95 -1.928 -1.230 -10.526 1.00 0.82 H new ATOM 0 HD11 LEU A 95 -1.486 -3.291 -9.159 1.00 0.83 H new ATOM 0 HD12 LEU A 95 -1.771 -1.874 -8.120 1.00 0.83 H new ATOM 0 HD13 LEU A 95 -3.060 -3.077 -8.357 1.00 0.83 H new ATOM 0 HD21 LEU A 95 -2.547 -3.474 -11.341 1.00 1.07 H new ATOM 0 HD22 LEU A 95 -4.145 -3.304 -10.576 1.00 1.07 H new ATOM 0 HD23 LEU A 95 -3.680 -2.227 -11.914 1.00 1.07 H new ATOM 1408 N LEU A 96 -6.557 0.693 -9.499 1.00 0.60 N ATOM 1409 CA LEU A 96 -7.459 1.319 -8.525 1.00 0.62 C ATOM 1410 C LEU A 96 -7.718 0.320 -7.385 1.00 0.58 C ATOM 1411 O LEU A 96 -8.112 -0.828 -7.625 1.00 0.64 O ATOM 1412 CB LEU A 96 -8.776 1.810 -9.162 1.00 0.81 C ATOM 1413 CG LEU A 96 -8.675 3.065 -10.053 1.00 1.40 C ATOM 1414 CD1 LEU A 96 -8.060 2.805 -11.431 1.00 2.34 C ATOM 1415 CD2 LEU A 96 -10.075 3.632 -10.295 1.00 1.86 C ATOM 0 H LEU A 96 -6.954 -0.141 -9.932 1.00 0.60 H new ATOM 0 HA LEU A 96 -6.978 2.214 -8.129 1.00 0.62 H new ATOM 0 HB2 LEU A 96 -9.191 0.998 -9.759 1.00 0.81 H new ATOM 0 HB3 LEU A 96 -9.488 2.014 -8.362 1.00 0.81 H new ATOM 0 HG LEU A 96 -8.025 3.753 -9.513 1.00 1.40 H new ATOM 0 HD11 LEU A 96 -8.025 3.737 -11.995 1.00 2.34 H new ATOM 0 HD12 LEU A 96 -7.049 2.415 -11.311 1.00 2.34 H new ATOM 0 HD13 LEU A 96 -8.668 2.078 -11.969 1.00 2.34 H new ATOM 0 HD21 LEU A 96 -10.004 4.519 -10.925 1.00 1.86 H new ATOM 0 HD22 LEU A 96 -10.690 2.882 -10.792 1.00 1.86 H new ATOM 0 HD23 LEU A 96 -10.529 3.899 -9.341 1.00 1.86 H new ATOM 1427 N ILE A 97 -7.471 0.757 -6.148 1.00 0.55 N ATOM 1428 CA ILE A 97 -7.504 -0.072 -4.937 1.00 0.60 C ATOM 1429 C ILE A 97 -8.592 0.432 -3.984 1.00 0.60 C ATOM 1430 O ILE A 97 -8.583 1.598 -3.596 1.00 0.55 O ATOM 1431 CB ILE A 97 -6.114 -0.080 -4.251 1.00 0.66 C ATOM 1432 CG1 ILE A 97 -4.961 -0.429 -5.225 1.00 0.88 C ATOM 1433 CG2 ILE A 97 -6.087 -1.101 -3.099 1.00 0.74 C ATOM 1434 CD1 ILE A 97 -4.289 0.792 -5.871 1.00 1.14 C ATOM 0 H ILE A 97 -7.234 1.730 -5.953 1.00 0.55 H new ATOM 0 HA ILE A 97 -7.745 -1.098 -5.214 1.00 0.60 H new ATOM 0 HB ILE A 97 -5.959 0.933 -3.880 1.00 0.66 H new ATOM 0 HG12 ILE A 97 -4.206 -1.002 -4.686 1.00 0.88 H new ATOM 0 HG13 ILE A 97 -5.349 -1.075 -6.013 1.00 0.88 H new ATOM 0 HG21 ILE A 97 -5.104 -1.093 -2.629 1.00 0.74 H new ATOM 0 HG22 ILE A 97 -6.844 -0.837 -2.361 1.00 0.74 H new ATOM 0 HG23 ILE A 97 -6.294 -2.097 -3.491 1.00 0.74 H new ATOM 0 HD11 ILE A 97 -3.494 0.459 -6.538 1.00 1.14 H new ATOM 0 HD12 ILE A 97 -5.028 1.355 -6.441 1.00 1.14 H new ATOM 0 HD13 ILE A 97 -3.868 1.429 -5.093 1.00 1.14 H new ATOM 1446 N CYS A 98 -9.507 -0.439 -3.559 1.00 0.71 N ATOM 1447 CA CYS A 98 -10.449 -0.126 -2.485 1.00 0.75 C ATOM 1448 C CYS A 98 -9.761 -0.321 -1.125 1.00 0.79 C ATOM 1449 O CYS A 98 -9.279 -1.413 -0.801 1.00 0.85 O ATOM 1450 CB CYS A 98 -11.764 -0.908 -2.664 1.00 0.86 C ATOM 1451 SG CYS A 98 -11.550 -2.715 -2.626 1.00 1.53 S ATOM 0 H CYS A 98 -9.616 -1.376 -3.947 1.00 0.71 H new ATOM 0 HA CYS A 98 -10.743 0.923 -2.528 1.00 0.75 H new ATOM 0 HB2 CYS A 98 -12.460 -0.617 -1.877 1.00 0.86 H new ATOM 0 HB3 CYS A 98 -12.219 -0.625 -3.613 1.00 0.86 H new ATOM 0 HG CYS A 98 -10.435 -3.032 -3.214 1.00 1.53 H new ATOM 1457 N ALA A 99 -9.681 0.748 -0.331 1.00 0.80 N ATOM 1458 CA ALA A 99 -9.082 0.715 0.997 1.00 0.87 C ATOM 1459 C ALA A 99 -10.094 0.158 2.006 1.00 1.04 C ATOM 1460 O ALA A 99 -11.245 0.598 2.037 1.00 1.27 O ATOM 1461 CB ALA A 99 -8.608 2.125 1.369 1.00 0.86 C ATOM 0 H ALA A 99 -10.034 1.667 -0.597 1.00 0.80 H new ATOM 0 HA ALA A 99 -8.214 0.055 1.009 1.00 0.87 H new ATOM 0 HB1 ALA A 99 -8.159 2.108 2.362 1.00 0.86 H new ATOM 0 HB2 ALA A 99 -7.870 2.464 0.642 1.00 0.86 H new ATOM 0 HB3 ALA A 99 -9.458 2.807 1.368 1.00 0.86 H new ATOM 1467 N THR A 100 -9.675 -0.812 2.822 1.00 1.02 N ATOM 1468 CA THR A 100 -10.531 -1.406 3.872 1.00 1.16 C ATOM 1469 C THR A 100 -9.935 -1.320 5.281 1.00 1.17 C ATOM 1470 O THR A 100 -10.570 -1.734 6.250 1.00 1.26 O ATOM 1471 CB THR A 100 -11.015 -2.807 3.455 1.00 1.41 C ATOM 1472 OG1 THR A 100 -12.265 -3.113 4.042 1.00 3.04 O ATOM 1473 CG2 THR A 100 -10.027 -3.924 3.784 1.00 1.66 C ATOM 0 H THR A 100 -8.738 -1.212 2.780 1.00 1.02 H new ATOM 0 HA THR A 100 -11.425 -0.788 3.956 1.00 1.16 H new ATOM 0 HB THR A 100 -11.108 -2.761 2.370 1.00 1.41 H new ATOM 0 HG1 THR A 100 -12.269 -2.817 4.976 1.00 3.04 H new ATOM 0 HG21 THR A 100 -10.438 -4.880 3.461 1.00 1.66 H new ATOM 0 HG22 THR A 100 -9.085 -3.740 3.267 1.00 1.66 H new ATOM 0 HG23 THR A 100 -9.852 -3.950 4.860 1.00 1.66 H new ATOM 1481 N HIS A 101 -8.774 -0.672 5.429 1.00 1.12 N ATOM 1482 CA HIS A 101 -8.178 -0.300 6.713 1.00 1.21 C ATOM 1483 C HIS A 101 -7.517 1.088 6.657 1.00 1.16 C ATOM 1484 O HIS A 101 -7.053 1.523 5.604 1.00 1.14 O ATOM 1485 CB HIS A 101 -7.157 -1.362 7.129 1.00 1.31 C ATOM 1486 CG HIS A 101 -7.779 -2.689 7.485 1.00 1.57 C ATOM 1487 ND1 HIS A 101 -7.754 -3.826 6.713 1.00 1.83 N ATOM 1488 CD2 HIS A 101 -8.513 -2.975 8.605 1.00 1.83 C ATOM 1489 CE1 HIS A 101 -8.474 -4.773 7.335 1.00 2.14 C ATOM 1490 NE2 HIS A 101 -8.960 -4.302 8.501 1.00 2.16 N ATOM 0 H HIS A 101 -8.207 -0.384 4.632 1.00 1.12 H new ATOM 0 HA HIS A 101 -8.975 -0.247 7.455 1.00 1.21 H new ATOM 0 HB2 HIS A 101 -6.446 -1.510 6.316 1.00 1.31 H new ATOM 0 HB3 HIS A 101 -6.590 -0.994 7.985 1.00 1.31 H new ATOM 0 HD1 HIS A 101 -7.271 -3.932 5.821 1.00 1.83 H new ATOM 0 HD2 HIS A 101 -8.713 -2.299 9.424 1.00 1.83 H new ATOM 0 HE1 HIS A 101 -8.640 -5.770 6.955 1.00 2.14 H new ATOM 1498 N VAL A 102 -7.477 1.768 7.807 1.00 1.21 N ATOM 1499 CA VAL A 102 -6.739 3.026 8.041 1.00 1.28 C ATOM 1500 C VAL A 102 -5.305 2.749 8.520 1.00 1.32 C ATOM 1501 O VAL A 102 -4.943 1.596 8.777 1.00 1.27 O ATOM 1502 CB VAL A 102 -7.506 3.951 9.007 1.00 1.41 C ATOM 1503 CG1 VAL A 102 -8.793 4.480 8.360 1.00 2.15 C ATOM 1504 CG2 VAL A 102 -7.872 3.253 10.324 1.00 1.91 C ATOM 0 H VAL A 102 -7.976 1.449 8.638 1.00 1.21 H new ATOM 0 HA VAL A 102 -6.661 3.553 7.090 1.00 1.28 H new ATOM 0 HB VAL A 102 -6.831 4.778 9.228 1.00 1.41 H new ATOM 0 HG11 VAL A 102 -9.314 5.129 9.064 1.00 2.15 H new ATOM 0 HG12 VAL A 102 -8.543 5.045 7.462 1.00 2.15 H new ATOM 0 HG13 VAL A 102 -9.438 3.642 8.094 1.00 2.15 H new ATOM 0 HG21 VAL A 102 -8.410 3.949 10.967 1.00 1.91 H new ATOM 0 HG22 VAL A 102 -8.503 2.389 10.115 1.00 1.91 H new ATOM 0 HG23 VAL A 102 -6.962 2.924 10.827 1.00 1.91 H new ATOM 1514 N GLY A 103 -4.464 3.781 8.648 1.00 1.47 N ATOM 1515 CA GLY A 103 -3.023 3.620 8.889 1.00 1.58 C ATOM 1516 C GLY A 103 -2.665 2.848 10.167 1.00 1.60 C ATOM 1517 O GLY A 103 -1.743 2.031 10.148 1.00 1.60 O ATOM 0 H GLY A 103 -4.763 4.754 8.587 1.00 1.47 H new ATOM 0 HA2 GLY A 103 -2.582 3.106 8.035 1.00 1.58 H new ATOM 0 HA3 GLY A 103 -2.565 4.608 8.938 1.00 1.58 H new ATOM 1521 N ALA A 104 -3.428 3.019 11.249 1.00 1.70 N ATOM 1522 CA ALA A 104 -3.179 2.357 12.535 1.00 1.72 C ATOM 1523 C ALA A 104 -3.240 0.814 12.486 1.00 1.39 C ATOM 1524 O ALA A 104 -2.584 0.148 13.286 1.00 1.41 O ATOM 1525 CB ALA A 104 -4.201 2.904 13.536 1.00 2.09 C ATOM 0 H ALA A 104 -4.246 3.628 11.259 1.00 1.70 H new ATOM 0 HA ALA A 104 -2.154 2.580 12.832 1.00 1.72 H new ATOM 0 HB1 ALA A 104 -4.047 2.434 14.507 1.00 2.09 H new ATOM 0 HB2 ALA A 104 -4.076 3.983 13.631 1.00 2.09 H new ATOM 0 HB3 ALA A 104 -5.209 2.686 13.183 1.00 2.09 H new ATOM 1531 N ASP A 105 -4.020 0.237 11.565 1.00 1.24 N ATOM 1532 CA ASP A 105 -4.063 -1.214 11.320 1.00 1.20 C ATOM 1533 C ASP A 105 -2.892 -1.768 10.479 1.00 1.07 C ATOM 1534 O ASP A 105 -2.722 -2.990 10.386 1.00 1.39 O ATOM 1535 CB ASP A 105 -5.404 -1.570 10.669 1.00 1.63 C ATOM 1536 CG ASP A 105 -5.690 -3.074 10.721 1.00 2.15 C ATOM 1537 OD1 ASP A 105 -6.001 -3.586 11.823 1.00 2.48 O ATOM 1538 OD2 ASP A 105 -5.634 -3.752 9.671 1.00 3.35 O ATOM 0 H ASP A 105 -4.647 0.768 10.961 1.00 1.24 H new ATOM 0 HA ASP A 105 -3.957 -1.693 12.294 1.00 1.20 H new ATOM 0 HB2 ASP A 105 -6.206 -1.032 11.174 1.00 1.63 H new ATOM 0 HB3 ASP A 105 -5.402 -1.238 9.631 1.00 1.63 H new ATOM 1543 N THR A 106 -2.102 -0.906 9.827 1.00 0.94 N ATOM 1544 CA THR A 106 -1.125 -1.346 8.813 1.00 1.19 C ATOM 1545 C THR A 106 0.006 -2.184 9.411 1.00 1.45 C ATOM 1546 O THR A 106 0.614 -1.817 10.422 1.00 1.59 O ATOM 1547 CB THR A 106 -0.573 -0.213 7.932 1.00 1.27 C ATOM 1548 OG1 THR A 106 0.057 0.802 8.680 1.00 2.10 O ATOM 1549 CG2 THR A 106 -1.662 0.431 7.075 1.00 1.42 C ATOM 0 H THR A 106 -2.117 0.102 9.981 1.00 0.94 H new ATOM 0 HA THR A 106 -1.700 -1.988 8.146 1.00 1.19 H new ATOM 0 HB THR A 106 0.166 -0.692 7.290 1.00 1.27 H new ATOM 0 HG1 THR A 106 -0.561 1.136 9.364 1.00 2.10 H new ATOM 0 HG21 THR A 106 -1.226 1.226 6.470 1.00 1.42 H new ATOM 0 HG22 THR A 106 -2.104 -0.322 6.422 1.00 1.42 H new ATOM 0 HG23 THR A 106 -2.434 0.849 7.721 1.00 1.42 H new ATOM 1557 N THR A 107 0.314 -3.318 8.770 1.00 1.57 N ATOM 1558 CA THR A 107 1.186 -4.361 9.344 1.00 1.64 C ATOM 1559 C THR A 107 2.624 -3.911 9.607 1.00 1.62 C ATOM 1560 O THR A 107 3.265 -4.419 10.518 1.00 1.58 O ATOM 1561 CB THR A 107 1.127 -5.663 8.521 1.00 1.78 C ATOM 1562 OG1 THR A 107 1.588 -6.736 9.316 1.00 2.23 O ATOM 1563 CG2 THR A 107 1.930 -5.636 7.222 1.00 2.12 C ATOM 0 H THR A 107 -0.033 -3.543 7.837 1.00 1.57 H new ATOM 0 HA THR A 107 0.776 -4.567 10.333 1.00 1.64 H new ATOM 0 HB THR A 107 0.083 -5.784 8.232 1.00 1.78 H new ATOM 0 HG1 THR A 107 1.551 -7.567 8.797 1.00 2.23 H new ATOM 0 HG21 THR A 107 1.829 -6.594 6.712 1.00 2.12 H new ATOM 0 HG22 THR A 107 1.554 -4.840 6.579 1.00 2.12 H new ATOM 0 HG23 THR A 107 2.981 -5.454 7.448 1.00 2.12 H new ATOM 1571 N LEU A 108 3.117 -2.884 8.911 1.00 1.67 N ATOM 1572 CA LEU A 108 4.440 -2.292 9.150 1.00 1.70 C ATOM 1573 C LEU A 108 4.598 -1.814 10.605 1.00 1.57 C ATOM 1574 O LEU A 108 5.605 -2.104 11.250 1.00 1.59 O ATOM 1575 CB LEU A 108 4.632 -1.107 8.190 1.00 1.83 C ATOM 1576 CG LEU A 108 4.945 -1.462 6.727 1.00 0.93 C ATOM 1577 CD1 LEU A 108 3.868 -2.289 6.028 1.00 1.28 C ATOM 1578 CD2 LEU A 108 5.037 -0.154 5.959 1.00 0.96 C ATOM 0 H LEU A 108 2.603 -2.432 8.155 1.00 1.67 H new ATOM 0 HA LEU A 108 5.197 -3.055 8.972 1.00 1.70 H new ATOM 0 HB2 LEU A 108 3.727 -0.500 8.209 1.00 1.83 H new ATOM 0 HB3 LEU A 108 5.441 -0.484 8.572 1.00 1.83 H new ATOM 0 HG LEU A 108 5.859 -2.055 6.740 1.00 0.93 H new ATOM 0 HD11 LEU A 108 4.174 -2.492 5.002 1.00 1.28 H new ATOM 0 HD12 LEU A 108 3.731 -3.231 6.559 1.00 1.28 H new ATOM 0 HD13 LEU A 108 2.929 -1.735 6.024 1.00 1.28 H new ATOM 0 HD21 LEU A 108 5.259 -0.362 4.912 1.00 0.96 H new ATOM 0 HD22 LEU A 108 4.088 0.377 6.030 1.00 0.96 H new ATOM 0 HD23 LEU A 108 5.830 0.462 6.383 1.00 0.96 H new ATOM 1590 N SER A 109 3.564 -1.153 11.135 1.00 1.44 N ATOM 1591 CA SER A 109 3.505 -0.695 12.531 1.00 1.35 C ATOM 1592 C SER A 109 3.413 -1.854 13.531 1.00 1.33 C ATOM 1593 O SER A 109 3.860 -1.729 14.672 1.00 1.34 O ATOM 1594 CB SER A 109 2.307 0.248 12.716 1.00 1.25 C ATOM 1595 OG SER A 109 1.067 -0.448 12.722 1.00 2.02 O ATOM 0 H SER A 109 2.729 -0.916 10.599 1.00 1.44 H new ATOM 0 HA SER A 109 4.436 -0.167 12.737 1.00 1.35 H new ATOM 0 HB2 SER A 109 2.419 0.794 13.653 1.00 1.25 H new ATOM 0 HB3 SER A 109 2.302 0.987 11.915 1.00 1.25 H new ATOM 0 HG SER A 109 1.003 -1.010 11.922 1.00 2.02 H new ATOM 1601 N GLN A 110 2.826 -2.974 13.093 1.00 1.35 N ATOM 1602 CA GLN A 110 2.677 -4.210 13.877 1.00 1.33 C ATOM 1603 C GLN A 110 4.001 -4.984 13.985 1.00 1.36 C ATOM 1604 O GLN A 110 4.414 -5.364 15.082 1.00 1.44 O ATOM 1605 CB GLN A 110 1.545 -5.065 13.274 1.00 1.37 C ATOM 1606 CG GLN A 110 1.037 -6.194 14.187 1.00 1.38 C ATOM 1607 CD GLN A 110 0.165 -5.663 15.312 1.00 1.43 C ATOM 1608 OE1 GLN A 110 0.475 -5.780 16.490 1.00 1.47 O ATOM 1609 NE2 GLN A 110 -0.958 -5.069 14.986 1.00 1.55 N ATOM 0 H GLN A 110 2.429 -3.050 12.156 1.00 1.35 H new ATOM 0 HA GLN A 110 2.404 -3.949 14.899 1.00 1.33 H new ATOM 0 HB2 GLN A 110 0.708 -4.412 13.026 1.00 1.37 H new ATOM 0 HB3 GLN A 110 1.897 -5.502 12.339 1.00 1.37 H new ATOM 0 HG2 GLN A 110 0.469 -6.912 13.595 1.00 1.38 H new ATOM 0 HG3 GLN A 110 1.887 -6.730 14.609 1.00 1.38 H new ATOM 0 HE21 GLN A 110 -1.217 -4.971 14.004 1.00 1.55 H new ATOM 0 HE22 GLN A 110 -1.572 -4.705 15.714 1.00 1.55 H new ATOM 1618 N ILE A 111 4.679 -5.184 12.848 1.00 1.31 N ATOM 1619 CA ILE A 111 5.913 -5.976 12.707 1.00 1.29 C ATOM 1620 C ILE A 111 6.975 -5.494 13.697 1.00 1.28 C ATOM 1621 O ILE A 111 7.513 -6.295 14.463 1.00 1.32 O ATOM 1622 CB ILE A 111 6.401 -5.925 11.234 1.00 1.32 C ATOM 1623 CG1 ILE A 111 5.486 -6.800 10.344 1.00 1.39 C ATOM 1624 CG2 ILE A 111 7.860 -6.394 11.072 1.00 1.37 C ATOM 1625 CD1 ILE A 111 5.601 -6.502 8.843 1.00 1.45 C ATOM 0 H ILE A 111 4.372 -4.782 11.962 1.00 1.31 H new ATOM 0 HA ILE A 111 5.712 -7.019 12.950 1.00 1.29 H new ATOM 0 HB ILE A 111 6.353 -4.881 10.923 1.00 1.32 H new ATOM 0 HG12 ILE A 111 5.727 -7.849 10.515 1.00 1.39 H new ATOM 0 HG13 ILE A 111 4.451 -6.656 10.654 1.00 1.39 H new ATOM 0 HG21 ILE A 111 8.146 -6.337 10.022 1.00 1.37 H new ATOM 0 HG22 ILE A 111 8.516 -5.754 11.662 1.00 1.37 H new ATOM 0 HG23 ILE A 111 7.952 -7.424 11.417 1.00 1.37 H new ATOM 0 HD11 ILE A 111 4.928 -7.157 8.289 1.00 1.45 H new ATOM 0 HD12 ILE A 111 5.330 -5.463 8.657 1.00 1.45 H new ATOM 0 HD13 ILE A 111 6.626 -6.674 8.515 1.00 1.45 H new ATOM 1637 N VAL A 112 7.230 -4.184 13.766 1.00 1.28 N ATOM 1638 CA VAL A 112 8.268 -3.623 14.648 1.00 1.33 C ATOM 1639 C VAL A 112 8.011 -3.811 16.146 1.00 1.51 C ATOM 1640 O VAL A 112 8.966 -3.753 16.915 1.00 1.61 O ATOM 1641 CB VAL A 112 8.523 -2.136 14.358 1.00 1.33 C ATOM 1642 CG1 VAL A 112 9.051 -1.947 12.937 1.00 1.29 C ATOM 1643 CG2 VAL A 112 7.278 -1.265 14.530 1.00 1.41 C ATOM 0 H VAL A 112 6.729 -3.484 13.218 1.00 1.28 H new ATOM 0 HA VAL A 112 9.157 -4.207 14.408 1.00 1.33 H new ATOM 0 HB VAL A 112 9.263 -1.816 15.091 1.00 1.33 H new ATOM 0 HG11 VAL A 112 9.225 -0.887 12.752 1.00 1.29 H new ATOM 0 HG12 VAL A 112 9.986 -2.494 12.821 1.00 1.29 H new ATOM 0 HG13 VAL A 112 8.319 -2.325 12.223 1.00 1.29 H new ATOM 0 HG21 VAL A 112 7.527 -0.227 14.310 1.00 1.41 H new ATOM 0 HG22 VAL A 112 6.500 -1.604 13.847 1.00 1.41 H new ATOM 0 HG23 VAL A 112 6.919 -1.342 15.556 1.00 1.41 H new ATOM 1653 N LYS A 113 6.770 -4.066 16.584 1.00 1.62 N ATOM 1654 CA LYS A 113 6.470 -4.463 17.975 1.00 1.89 C ATOM 1655 C LYS A 113 6.857 -5.916 18.276 1.00 1.96 C ATOM 1656 O LYS A 113 7.285 -6.229 19.389 1.00 2.13 O ATOM 1657 CB LYS A 113 4.989 -4.230 18.307 1.00 2.04 C ATOM 1658 CG LYS A 113 4.522 -2.790 18.040 1.00 1.92 C ATOM 1659 CD LYS A 113 3.154 -2.493 18.668 1.00 2.39 C ATOM 1660 CE LYS A 113 2.121 -3.563 18.303 1.00 2.68 C ATOM 1661 NZ LYS A 113 0.778 -3.251 18.842 1.00 3.00 N ATOM 0 H LYS A 113 5.944 -4.004 15.988 1.00 1.62 H new ATOM 0 HA LYS A 113 7.084 -3.827 18.613 1.00 1.89 H new ATOM 0 HB2 LYS A 113 4.380 -4.916 17.718 1.00 2.04 H new ATOM 0 HB3 LYS A 113 4.817 -4.471 19.356 1.00 2.04 H new ATOM 0 HG2 LYS A 113 5.260 -2.092 18.436 1.00 1.92 H new ATOM 0 HG3 LYS A 113 4.469 -2.622 16.964 1.00 1.92 H new ATOM 0 HD2 LYS A 113 3.255 -2.439 19.752 1.00 2.39 H new ATOM 0 HD3 LYS A 113 2.803 -1.518 18.331 1.00 2.39 H new ATOM 0 HE2 LYS A 113 2.063 -3.655 17.218 1.00 2.68 H new ATOM 0 HE3 LYS A 113 2.449 -4.529 18.687 1.00 2.68 H new ATOM 0 HZ1 LYS A 113 0.112 -4.002 18.570 1.00 3.00 H new ATOM 0 HZ2 LYS A 113 0.826 -3.189 19.879 1.00 3.00 H new ATOM 0 HZ3 LYS A 113 0.451 -2.342 18.456 1.00 3.00 H new ATOM 1675 N LEU A 114 6.635 -6.806 17.305 1.00 1.84 N ATOM 1676 CA LEU A 114 6.875 -8.255 17.356 1.00 1.93 C ATOM 1677 C LEU A 114 8.359 -8.617 17.169 1.00 2.03 C ATOM 1678 O LEU A 114 8.951 -9.319 17.990 1.00 2.31 O ATOM 1679 CB LEU A 114 5.950 -8.896 16.294 1.00 1.71 C ATOM 1680 CG LEU A 114 5.402 -10.284 16.647 1.00 2.38 C ATOM 1681 CD1 LEU A 114 4.540 -10.806 15.504 1.00 2.18 C ATOM 1682 CD2 LEU A 114 6.520 -11.284 16.897 1.00 3.27 C ATOM 0 H LEU A 114 6.258 -6.517 16.402 1.00 1.84 H new ATOM 0 HA LEU A 114 6.637 -8.649 18.344 1.00 1.93 H new ATOM 0 HB2 LEU A 114 5.108 -8.226 16.119 1.00 1.71 H new ATOM 0 HB3 LEU A 114 6.500 -8.969 15.356 1.00 1.71 H new ATOM 0 HG LEU A 114 4.813 -10.178 17.558 1.00 2.38 H new ATOM 0 HD11 LEU A 114 4.154 -11.792 15.761 1.00 2.18 H new ATOM 0 HD12 LEU A 114 3.708 -10.123 15.335 1.00 2.18 H new ATOM 0 HD13 LEU A 114 5.141 -10.877 14.598 1.00 2.18 H new ATOM 0 HD21 LEU A 114 6.091 -12.255 17.144 1.00 3.27 H new ATOM 0 HD22 LEU A 114 7.133 -11.376 16.001 1.00 3.27 H new ATOM 0 HD23 LEU A 114 7.138 -10.939 17.726 1.00 3.27 H new ATOM 1694 N VAL A 115 8.979 -8.117 16.097 1.00 1.89 N ATOM 1695 CA VAL A 115 10.371 -8.419 15.717 1.00 2.16 C ATOM 1696 C VAL A 115 11.378 -7.761 16.670 1.00 2.58 C ATOM 1697 O VAL A 115 12.486 -8.264 16.850 1.00 3.10 O ATOM 1698 CB VAL A 115 10.607 -8.051 14.235 1.00 2.06 C ATOM 1699 CG1 VAL A 115 12.041 -8.326 13.770 1.00 2.70 C ATOM 1700 CG2 VAL A 115 9.683 -8.869 13.322 1.00 1.97 C ATOM 0 H VAL A 115 8.520 -7.475 15.451 1.00 1.89 H new ATOM 0 HA VAL A 115 10.538 -9.492 15.816 1.00 2.16 H new ATOM 0 HB VAL A 115 10.403 -6.982 14.166 1.00 2.06 H new ATOM 0 HG11 VAL A 115 12.143 -8.047 12.721 1.00 2.70 H new ATOM 0 HG12 VAL A 115 12.737 -7.740 14.371 1.00 2.70 H new ATOM 0 HG13 VAL A 115 12.264 -9.386 13.887 1.00 2.70 H new ATOM 0 HG21 VAL A 115 9.864 -8.596 12.282 1.00 1.97 H new ATOM 0 HG22 VAL A 115 9.884 -9.932 13.458 1.00 1.97 H new ATOM 0 HG23 VAL A 115 8.644 -8.661 13.576 1.00 1.97 H new ATOM 1710 N GLU A 116 10.989 -6.706 17.391 1.00 2.44 N ATOM 1711 CA GLU A 116 11.802 -6.150 18.481 1.00 2.86 C ATOM 1712 C GLU A 116 12.086 -7.185 19.578 1.00 3.60 C ATOM 1713 O GLU A 116 13.177 -7.188 20.140 1.00 4.12 O ATOM 1714 CB GLU A 116 11.093 -4.911 19.048 1.00 2.65 C ATOM 1715 CG GLU A 116 11.892 -4.112 20.087 1.00 2.88 C ATOM 1716 CD GLU A 116 11.526 -4.474 21.534 1.00 3.72 C ATOM 1717 OE1 GLU A 116 10.498 -3.971 22.057 1.00 3.51 O ATOM 1718 OE2 GLU A 116 12.271 -5.247 22.179 1.00 5.33 O ATOM 0 H GLU A 116 10.108 -6.215 17.239 1.00 2.44 H new ATOM 0 HA GLU A 116 12.774 -5.862 18.081 1.00 2.86 H new ATOM 0 HB2 GLU A 116 10.840 -4.248 18.221 1.00 2.65 H new ATOM 0 HB3 GLU A 116 10.154 -5.227 19.502 1.00 2.65 H new ATOM 0 HG2 GLU A 116 12.956 -4.288 19.932 1.00 2.88 H new ATOM 0 HG3 GLU A 116 11.719 -3.047 19.930 1.00 2.88 H new ATOM 1725 N GLU A 117 11.156 -8.102 19.864 1.00 3.71 N ATOM 1726 CA GLU A 117 11.358 -9.210 20.809 1.00 4.42 C ATOM 1727 C GLU A 117 12.230 -10.354 20.236 1.00 4.76 C ATOM 1728 O GLU A 117 12.688 -11.222 20.985 1.00 5.41 O ATOM 1729 CB GLU A 117 9.971 -9.760 21.195 1.00 4.42 C ATOM 1730 CG GLU A 117 9.026 -8.744 21.857 1.00 4.42 C ATOM 1731 CD GLU A 117 9.169 -8.710 23.381 1.00 5.25 C ATOM 1732 OE1 GLU A 117 10.004 -7.936 23.903 1.00 6.21 O ATOM 1733 OE2 GLU A 117 8.434 -9.446 24.087 1.00 5.50 O ATOM 0 H GLU A 117 10.228 -8.097 19.441 1.00 3.71 H new ATOM 0 HA GLU A 117 11.896 -8.822 21.674 1.00 4.42 H new ATOM 0 HB2 GLU A 117 9.490 -10.149 20.298 1.00 4.42 H new ATOM 0 HB3 GLU A 117 10.107 -10.602 21.874 1.00 4.42 H new ATOM 0 HG2 GLU A 117 9.228 -7.751 21.455 1.00 4.42 H new ATOM 0 HG3 GLU A 117 7.996 -8.990 21.598 1.00 4.42 H new ATOM 1740 N ALA A 118 12.400 -10.416 18.908 1.00 4.43 N ATOM 1741 CA ALA A 118 13.209 -11.430 18.207 1.00 4.94 C ATOM 1742 C ALA A 118 14.737 -11.194 18.269 1.00 5.54 C ATOM 1743 O ALA A 118 15.520 -12.143 18.161 1.00 6.60 O ATOM 1744 CB ALA A 118 12.714 -11.565 16.761 1.00 4.54 C ATOM 0 H ALA A 118 11.968 -9.745 18.272 1.00 4.43 H new ATOM 0 HA ALA A 118 13.064 -12.370 18.740 1.00 4.94 H new ATOM 0 HB1 ALA A 118 13.311 -12.314 16.241 1.00 4.54 H new ATOM 0 HB2 ALA A 118 11.668 -11.871 16.762 1.00 4.54 H new ATOM 0 HB3 ALA A 118 12.811 -10.606 16.252 1.00 4.54 H new ATOM 1750 N GLN A 119 15.149 -9.929 18.427 1.00 4.95 N ATOM 1751 CA GLN A 119 16.541 -9.454 18.521 1.00 5.45 C ATOM 1752 C GLN A 119 17.305 -10.022 19.720 1.00 6.45 C ATOM 1753 O GLN A 119 18.524 -10.257 19.573 1.00 7.67 O ATOM 1754 CB GLN A 119 16.537 -7.912 18.606 1.00 4.44 C ATOM 1755 CG GLN A 119 15.943 -7.098 17.443 1.00 3.78 C ATOM 1756 CD GLN A 119 16.084 -7.832 16.129 1.00 4.24 C ATOM 1757 OE1 GLN A 119 17.145 -7.911 15.530 1.00 5.11 O ATOM 1758 NE2 GLN A 119 15.049 -8.521 15.720 1.00 4.20 N ATOM 0 H GLN A 119 14.481 -9.161 18.497 1.00 4.95 H new ATOM 0 HA GLN A 119 17.058 -9.806 17.628 1.00 5.45 H new ATOM 0 HB2 GLN A 119 15.996 -7.635 19.511 1.00 4.44 H new ATOM 0 HB3 GLN A 119 17.569 -7.588 18.740 1.00 4.44 H new ATOM 0 HG2 GLN A 119 14.890 -6.897 17.638 1.00 3.78 H new ATOM 0 HG3 GLN A 119 16.445 -6.133 17.378 1.00 3.78 H new ATOM 0 HE21 GLN A 119 14.163 -8.455 16.220 1.00 4.20 H new ATOM 0 HE22 GLN A 119 15.129 -9.124 14.901 1.00 4.20 H new TER 1767 GLN A 119