USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0213 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0817 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0308 (180deg=-0.254) USER MOD Single : A 26 TYR OH : rot -88:sc= 0.652 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 0.117 (180deg=-0.0815) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 45 SER OG : rot 49:sc= -0.852 USER MOD Single : A 49 TYR OH : rot 36:sc= 0.0114 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -124:sc= -1.07 (180deg=-6.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -72:sc= 0.814 USER MOD Single : A 56 THR OG1 : rot 8:sc= 0.153 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0032 K(o=-0.0032,f=-0.71) USER MOD Single : A 62 GLN : amide:sc=-0.00152 X(o=-0.0015,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.221 -4.227 15.853 1.00 0.00 N ATOM 2 CA GLY A 1 16.539 -5.631 15.666 1.00 0.00 C ATOM 3 C GLY A 1 17.098 -5.921 14.288 1.00 0.00 C ATOM 4 O GLY A 1 17.735 -5.063 13.676 1.00 0.00 O ATOM 0 H1 GLY A 1 16.674 -3.881 16.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.571 -3.681 15.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.190 -4.112 15.930 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.263 -5.940 16.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.640 -6.228 15.823 1.00 0.00 H new ATOM 8 N SER A 2 16.861 -7.134 13.798 1.00 0.00 N ATOM 9 CA SER A 2 17.351 -7.536 12.485 1.00 0.00 C ATOM 10 C SER A 2 16.491 -6.938 11.377 1.00 0.00 C ATOM 11 O SER A 2 15.268 -6.861 11.497 1.00 0.00 O ATOM 12 CB SER A 2 17.364 -9.062 12.368 1.00 0.00 C ATOM 13 OG SER A 2 18.402 -9.625 13.150 1.00 0.00 O ATOM 0 H SER A 2 16.333 -7.855 14.290 1.00 0.00 H new ATOM 0 HA SER A 2 18.368 -7.161 12.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.403 -9.463 12.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.494 -9.349 11.324 1.00 0.00 H new ATOM 0 HG SER A 2 18.388 -10.601 13.059 1.00 0.00 H new ATOM 19 N SER A 3 17.140 -6.511 10.297 1.00 0.00 N ATOM 20 CA SER A 3 16.435 -5.915 9.168 1.00 0.00 C ATOM 21 C SER A 3 16.904 -6.527 7.851 1.00 0.00 C ATOM 22 O SER A 3 18.049 -6.957 7.727 1.00 0.00 O ATOM 23 CB SER A 3 16.653 -4.400 9.147 1.00 0.00 C ATOM 24 OG SER A 3 16.140 -3.795 10.321 1.00 0.00 O ATOM 0 H SER A 3 18.152 -6.567 10.181 1.00 0.00 H new ATOM 0 HA SER A 3 15.371 -6.120 9.285 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.718 -4.184 9.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.166 -3.971 8.271 1.00 0.00 H new ATOM 0 HG SER A 3 16.293 -2.828 10.284 1.00 0.00 H new ATOM 30 N GLY A 4 16.008 -6.560 6.870 1.00 0.00 N ATOM 31 CA GLY A 4 16.347 -7.121 5.575 1.00 0.00 C ATOM 32 C GLY A 4 15.208 -7.918 4.972 1.00 0.00 C ATOM 33 O GLY A 4 15.386 -9.074 4.588 1.00 0.00 O ATOM 0 H GLY A 4 15.054 -6.209 6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.623 -6.315 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.221 -7.764 5.679 1.00 0.00 H new ATOM 37 N SER A 5 14.034 -7.300 4.889 1.00 0.00 N ATOM 38 CA SER A 5 12.859 -7.961 4.333 1.00 0.00 C ATOM 39 C SER A 5 12.337 -7.208 3.114 1.00 0.00 C ATOM 40 O SER A 5 11.651 -6.194 3.243 1.00 0.00 O ATOM 41 CB SER A 5 11.759 -8.068 5.391 1.00 0.00 C ATOM 42 OG SER A 5 12.238 -8.702 6.563 1.00 0.00 O ATOM 0 H SER A 5 13.871 -6.342 5.200 1.00 0.00 H new ATOM 0 HA SER A 5 13.151 -8.964 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.389 -7.073 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.916 -8.630 4.988 1.00 0.00 H new ATOM 0 HG SER A 5 11.516 -8.756 7.224 1.00 0.00 H new ATOM 48 N SER A 6 12.667 -7.712 1.929 1.00 0.00 N ATOM 49 CA SER A 6 12.236 -7.085 0.685 1.00 0.00 C ATOM 50 C SER A 6 10.823 -7.527 0.316 1.00 0.00 C ATOM 51 O SER A 6 10.506 -8.715 0.336 1.00 0.00 O ATOM 52 CB SER A 6 13.203 -7.433 -0.448 1.00 0.00 C ATOM 53 OG SER A 6 14.419 -6.716 -0.318 1.00 0.00 O ATOM 0 H SER A 6 13.231 -8.553 1.804 1.00 0.00 H new ATOM 0 HA SER A 6 12.234 -6.005 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.406 -8.504 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.742 -7.202 -1.408 1.00 0.00 H new ATOM 0 HG SER A 6 15.021 -6.957 -1.053 1.00 0.00 H new ATOM 59 N GLY A 7 9.976 -6.559 -0.024 1.00 0.00 N ATOM 60 CA GLY A 7 8.607 -6.866 -0.392 1.00 0.00 C ATOM 61 C GLY A 7 8.171 -6.148 -1.653 1.00 0.00 C ATOM 62 O GLY A 7 9.002 -5.768 -2.478 1.00 0.00 O ATOM 0 H GLY A 7 10.215 -5.568 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.505 -7.942 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.943 -6.590 0.427 1.00 0.00 H new ATOM 66 N MET A 8 6.865 -5.964 -1.807 1.00 0.00 N ATOM 67 CA MET A 8 6.320 -5.286 -2.978 1.00 0.00 C ATOM 68 C MET A 8 4.986 -4.622 -2.651 1.00 0.00 C ATOM 69 O MET A 8 4.045 -5.283 -2.211 1.00 0.00 O ATOM 70 CB MET A 8 6.140 -6.279 -4.129 1.00 0.00 C ATOM 71 CG MET A 8 7.421 -6.551 -4.901 1.00 0.00 C ATOM 72 SD MET A 8 7.212 -7.818 -6.168 1.00 0.00 S ATOM 73 CE MET A 8 8.617 -7.475 -7.224 1.00 0.00 C ATOM 0 H MET A 8 6.163 -6.275 -1.135 1.00 0.00 H new ATOM 0 HA MET A 8 7.026 -4.512 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.758 -7.219 -3.731 1.00 0.00 H new ATOM 0 HB3 MET A 8 5.386 -5.894 -4.816 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.762 -5.627 -5.369 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.201 -6.863 -4.206 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.626 -8.178 -8.057 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.543 -6.458 -7.609 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.538 -7.580 -6.650 1.00 0.00 H new ATOM 83 N GLU A 9 4.913 -3.313 -2.869 1.00 0.00 N ATOM 84 CA GLU A 9 3.694 -2.561 -2.596 1.00 0.00 C ATOM 85 C GLU A 9 3.039 -3.038 -1.303 1.00 0.00 C ATOM 86 O GLU A 9 1.820 -2.969 -1.152 1.00 0.00 O ATOM 87 CB GLU A 9 2.712 -2.699 -3.761 1.00 0.00 C ATOM 88 CG GLU A 9 3.362 -2.557 -5.126 1.00 0.00 C ATOM 89 CD GLU A 9 2.591 -3.275 -6.218 1.00 0.00 C ATOM 90 OE1 GLU A 9 2.105 -4.396 -5.960 1.00 0.00 O ATOM 91 OE2 GLU A 9 2.473 -2.716 -7.327 1.00 0.00 O ATOM 0 H GLU A 9 5.683 -2.752 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 9 3.963 -1.511 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.224 -3.672 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.932 -1.944 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.442 -1.500 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.377 -2.952 -5.084 1.00 0.00 H new ATOM 98 N GLU A 10 3.858 -3.521 -0.375 1.00 0.00 N ATOM 99 CA GLU A 10 3.358 -4.010 0.905 1.00 0.00 C ATOM 100 C GLU A 10 3.001 -2.850 1.829 1.00 0.00 C ATOM 101 O GLU A 10 3.875 -2.247 2.452 1.00 0.00 O ATOM 102 CB GLU A 10 4.399 -4.909 1.574 1.00 0.00 C ATOM 103 CG GLU A 10 3.979 -5.407 2.947 1.00 0.00 C ATOM 104 CD GLU A 10 5.156 -5.871 3.783 1.00 0.00 C ATOM 105 OE1 GLU A 10 5.833 -6.838 3.372 1.00 0.00 O ATOM 106 OE2 GLU A 10 5.399 -5.270 4.850 1.00 0.00 O ATOM 0 H GLU A 10 4.870 -3.584 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 10 2.455 -4.591 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.595 -5.766 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.336 -4.360 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.455 -4.610 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.273 -6.230 2.831 1.00 0.00 H new ATOM 113 N TRP A 11 1.712 -2.542 1.913 1.00 0.00 N ATOM 114 CA TRP A 11 1.239 -1.454 2.761 1.00 0.00 C ATOM 115 C TRP A 11 0.300 -1.976 3.843 1.00 0.00 C ATOM 116 O TRP A 11 -0.785 -2.477 3.548 1.00 0.00 O ATOM 117 CB TRP A 11 0.527 -0.395 1.918 1.00 0.00 C ATOM 118 CG TRP A 11 1.450 0.356 1.006 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.780 0.027 -0.279 1.00 0.00 C ATOM 120 CD2 TRP A 11 2.161 1.560 1.310 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.653 0.955 -0.790 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.903 1.906 0.163 1.00 0.00 C ATOM 123 CE3 TRP A 11 2.243 2.381 2.437 1.00 0.00 C ATOM 124 CZ2 TRP A 11 3.715 3.037 0.115 1.00 0.00 C ATOM 125 CZ3 TRP A 11 3.050 3.502 2.388 1.00 0.00 C ATOM 126 CH2 TRP A 11 3.777 3.822 1.233 1.00 0.00 C ATOM 0 H TRP A 11 0.975 -3.031 1.404 1.00 0.00 H new ATOM 0 HA TRP A 11 2.105 -1.001 3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.249 -0.876 1.322 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.028 0.312 2.581 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.409 -0.835 -0.813 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.051 0.939 -1.729 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.686 2.144 3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.276 3.285 -0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.122 4.143 3.255 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.398 4.706 1.226 1.00 0.00 H new ATOM 137 N SER A 12 0.723 -1.854 5.098 1.00 0.00 N ATOM 138 CA SER A 12 -0.080 -2.317 6.223 1.00 0.00 C ATOM 139 C SER A 12 -0.956 -1.191 6.764 1.00 0.00 C ATOM 140 O SER A 12 -0.794 -0.030 6.393 1.00 0.00 O ATOM 141 CB SER A 12 0.824 -2.854 7.334 1.00 0.00 C ATOM 142 OG SER A 12 0.066 -3.509 8.337 1.00 0.00 O ATOM 0 H SER A 12 1.617 -1.439 5.360 1.00 0.00 H new ATOM 0 HA SER A 12 -0.727 -3.120 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.551 -3.548 6.912 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.387 -2.033 7.778 1.00 0.00 H new ATOM 0 HG SER A 12 0.667 -3.845 9.034 1.00 0.00 H new ATOM 148 N ALA A 13 -1.888 -1.546 7.644 1.00 0.00 N ATOM 149 CA ALA A 13 -2.790 -0.567 8.238 1.00 0.00 C ATOM 150 C ALA A 13 -2.016 0.616 8.808 1.00 0.00 C ATOM 151 O ALA A 13 -2.278 1.767 8.458 1.00 0.00 O ATOM 152 CB ALA A 13 -3.636 -1.219 9.322 1.00 0.00 C ATOM 0 H ALA A 13 -2.037 -2.504 7.961 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.449 -0.193 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.305 -0.477 9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.224 -2.027 8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.985 -1.621 10.099 1.00 0.00 H new ATOM 158 N SER A 14 -1.062 0.327 9.687 1.00 0.00 N ATOM 159 CA SER A 14 -0.254 1.368 10.309 1.00 0.00 C ATOM 160 C SER A 14 0.431 2.228 9.252 1.00 0.00 C ATOM 161 O SER A 14 0.284 3.450 9.240 1.00 0.00 O ATOM 162 CB SER A 14 0.794 0.746 11.234 1.00 0.00 C ATOM 163 OG SER A 14 1.185 1.656 12.247 1.00 0.00 O ATOM 0 H SER A 14 -0.830 -0.621 9.984 1.00 0.00 H new ATOM 0 HA SER A 14 -0.916 2.004 10.897 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.391 -0.158 11.689 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.666 0.448 10.652 1.00 0.00 H new ATOM 0 HG SER A 14 1.854 1.234 12.826 1.00 0.00 H new ATOM 169 N GLU A 15 1.180 1.580 8.365 1.00 0.00 N ATOM 170 CA GLU A 15 1.889 2.286 7.304 1.00 0.00 C ATOM 171 C GLU A 15 0.943 3.206 6.537 1.00 0.00 C ATOM 172 O GLU A 15 1.284 4.348 6.233 1.00 0.00 O ATOM 173 CB GLU A 15 2.538 1.288 6.343 1.00 0.00 C ATOM 174 CG GLU A 15 3.805 0.651 6.892 1.00 0.00 C ATOM 175 CD GLU A 15 3.519 -0.520 7.810 1.00 0.00 C ATOM 176 OE1 GLU A 15 2.974 -0.293 8.910 1.00 0.00 O ATOM 177 OE2 GLU A 15 3.839 -1.665 7.429 1.00 0.00 O ATOM 0 H GLU A 15 1.311 0.569 8.360 1.00 0.00 H new ATOM 0 HA GLU A 15 2.667 2.895 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.819 0.503 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.773 1.797 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.426 0.314 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.379 1.402 7.435 1.00 0.00 H new ATOM 184 N ALA A 16 -0.244 2.697 6.226 1.00 0.00 N ATOM 185 CA ALA A 16 -1.239 3.473 5.496 1.00 0.00 C ATOM 186 C ALA A 16 -1.486 4.820 6.166 1.00 0.00 C ATOM 187 O ALA A 16 -1.342 5.871 5.540 1.00 0.00 O ATOM 188 CB ALA A 16 -2.540 2.691 5.385 1.00 0.00 C ATOM 0 H ALA A 16 -0.540 1.751 6.468 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.853 3.661 4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.274 3.282 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.359 1.756 4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.920 2.474 6.383 1.00 0.00 H new ATOM 194 N CYS A 17 -1.859 4.782 7.440 1.00 0.00 N ATOM 195 CA CYS A 17 -2.127 6.001 8.196 1.00 0.00 C ATOM 196 C CYS A 17 -0.921 6.935 8.166 1.00 0.00 C ATOM 197 O CYS A 17 -1.057 8.134 7.919 1.00 0.00 O ATOM 198 CB CYS A 17 -2.489 5.661 9.642 1.00 0.00 C ATOM 199 SG CYS A 17 -4.242 5.301 9.900 1.00 0.00 S ATOM 0 H CYS A 17 -1.983 3.920 7.972 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.970 6.510 7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.902 4.799 9.959 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.202 6.495 10.283 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.448 5.023 11.153 1.00 0.00 H new ATOM 205 N LEU A 18 0.258 6.379 8.422 1.00 0.00 N ATOM 206 CA LEU A 18 1.488 7.162 8.426 1.00 0.00 C ATOM 207 C LEU A 18 1.592 8.020 7.170 1.00 0.00 C ATOM 208 O LEU A 18 2.092 9.144 7.212 1.00 0.00 O ATOM 209 CB LEU A 18 2.703 6.238 8.529 1.00 0.00 C ATOM 210 CG LEU A 18 3.181 5.913 9.944 1.00 0.00 C ATOM 211 CD1 LEU A 18 4.009 4.637 9.949 1.00 0.00 C ATOM 212 CD2 LEU A 18 3.983 7.073 10.518 1.00 0.00 C ATOM 0 H LEU A 18 0.388 5.389 8.629 1.00 0.00 H new ATOM 0 HA LEU A 18 1.467 7.822 9.293 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.466 5.302 8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.529 6.695 7.984 1.00 0.00 H new ATOM 0 HG LEU A 18 2.305 5.756 10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.340 4.422 10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.403 3.809 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.878 4.765 9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.315 6.823 11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.851 7.263 9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.358 7.965 10.553 1.00 0.00 H new ATOM 224 N PHE A 19 1.115 7.484 6.051 1.00 0.00 N ATOM 225 CA PHE A 19 1.153 8.200 4.783 1.00 0.00 C ATOM 226 C PHE A 19 0.187 9.382 4.796 1.00 0.00 C ATOM 227 O PHE A 19 0.600 10.535 4.678 1.00 0.00 O ATOM 228 CB PHE A 19 0.807 7.256 3.628 1.00 0.00 C ATOM 229 CG PHE A 19 0.777 7.934 2.289 1.00 0.00 C ATOM 230 CD1 PHE A 19 1.955 8.219 1.617 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.427 8.285 1.701 1.00 0.00 C ATOM 232 CE1 PHE A 19 1.932 8.842 0.383 1.00 0.00 C ATOM 233 CE2 PHE A 19 -0.456 8.908 0.467 1.00 0.00 C ATOM 234 CZ PHE A 19 0.725 9.187 -0.193 1.00 0.00 C ATOM 0 H PHE A 19 0.697 6.555 5.998 1.00 0.00 H new ATOM 0 HA PHE A 19 2.164 8.581 4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.536 6.446 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.166 6.803 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.902 7.951 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.354 8.070 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.857 9.059 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.402 9.176 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.705 9.674 -1.157 1.00 0.00 H new ATOM 244 N GLU A 20 -1.100 9.084 4.940 1.00 0.00 N ATOM 245 CA GLU A 20 -2.125 10.121 4.967 1.00 0.00 C ATOM 246 C GLU A 20 -1.630 11.355 5.715 1.00 0.00 C ATOM 247 O GLU A 20 -1.725 12.476 5.216 1.00 0.00 O ATOM 248 CB GLU A 20 -3.401 9.591 5.623 1.00 0.00 C ATOM 249 CG GLU A 20 -4.313 8.841 4.666 1.00 0.00 C ATOM 250 CD GLU A 20 -5.603 8.390 5.321 1.00 0.00 C ATOM 251 OE1 GLU A 20 -6.549 9.202 5.389 1.00 0.00 O ATOM 252 OE2 GLU A 20 -5.668 7.225 5.765 1.00 0.00 O ATOM 0 H GLU A 20 -1.458 8.134 5.040 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.346 10.405 3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.129 8.929 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.951 10.427 6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.547 9.482 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.786 7.971 4.274 1.00 0.00 H new ATOM 259 N GLU A 21 -1.102 11.139 6.917 1.00 0.00 N ATOM 260 CA GLU A 21 -0.594 12.235 7.735 1.00 0.00 C ATOM 261 C GLU A 21 0.693 12.803 7.143 1.00 0.00 C ATOM 262 O GLU A 21 0.977 13.993 7.278 1.00 0.00 O ATOM 263 CB GLU A 21 -0.342 11.757 9.167 1.00 0.00 C ATOM 264 CG GLU A 21 0.786 10.746 9.281 1.00 0.00 C ATOM 265 CD GLU A 21 0.979 10.245 10.699 1.00 0.00 C ATOM 266 OE1 GLU A 21 -0.009 10.232 11.462 1.00 0.00 O ATOM 267 OE2 GLU A 21 2.118 9.867 11.046 1.00 0.00 O ATOM 0 H GLU A 21 -1.015 10.217 7.345 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.346 13.024 7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.111 12.619 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.257 11.314 9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.578 9.900 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.713 11.200 8.931 1.00 0.00 H new ATOM 274 N ALA A 22 1.467 11.944 6.488 1.00 0.00 N ATOM 275 CA ALA A 22 2.722 12.360 5.875 1.00 0.00 C ATOM 276 C ALA A 22 2.486 13.424 4.808 1.00 0.00 C ATOM 277 O ALA A 22 3.331 14.290 4.582 1.00 0.00 O ATOM 278 CB ALA A 22 3.440 11.161 5.276 1.00 0.00 C ATOM 0 H ALA A 22 1.247 10.955 6.368 1.00 0.00 H new ATOM 0 HA ALA A 22 3.350 12.795 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.376 11.487 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.651 10.434 6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.808 10.701 4.516 1.00 0.00 H new ATOM 284 N LEU A 23 1.332 13.353 4.154 1.00 0.00 N ATOM 285 CA LEU A 23 0.983 14.310 3.110 1.00 0.00 C ATOM 286 C LEU A 23 0.411 15.590 3.712 1.00 0.00 C ATOM 287 O LEU A 23 0.469 16.655 3.099 1.00 0.00 O ATOM 288 CB LEU A 23 -0.027 13.693 2.141 1.00 0.00 C ATOM 289 CG LEU A 23 0.033 14.196 0.698 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.331 13.763 0.036 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.166 13.692 -0.092 1.00 0.00 C ATOM 0 H LEU A 23 0.622 12.642 4.328 1.00 0.00 H new ATOM 0 HA LEU A 23 1.893 14.562 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.119 12.613 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.030 13.877 2.527 1.00 0.00 H new ATOM 0 HG LEU A 23 0.002 15.285 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.356 14.130 -0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.176 14.173 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.393 12.675 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.107 14.059 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.166 12.602 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.084 14.053 0.371 1.00 0.00 H new ATOM 303 N GLU A 24 -0.139 15.476 4.917 1.00 0.00 N ATOM 304 CA GLU A 24 -0.720 16.625 5.603 1.00 0.00 C ATOM 305 C GLU A 24 0.343 17.378 6.398 1.00 0.00 C ATOM 306 O GLU A 24 0.270 18.597 6.553 1.00 0.00 O ATOM 307 CB GLU A 24 -1.847 16.174 6.534 1.00 0.00 C ATOM 308 CG GLU A 24 -3.047 15.596 5.803 1.00 0.00 C ATOM 309 CD GLU A 24 -4.022 14.906 6.736 1.00 0.00 C ATOM 310 OE1 GLU A 24 -4.748 15.614 7.465 1.00 0.00 O ATOM 311 OE2 GLU A 24 -4.059 13.658 6.739 1.00 0.00 O ATOM 0 H GLU A 24 -0.195 14.601 5.438 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.129 17.298 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.458 15.426 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.173 17.024 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.563 16.395 5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.702 14.884 5.053 1.00 0.00 H new ATOM 318 N LYS A 25 1.328 16.643 6.901 1.00 0.00 N ATOM 319 CA LYS A 25 2.407 17.239 7.680 1.00 0.00 C ATOM 320 C LYS A 25 3.505 17.776 6.768 1.00 0.00 C ATOM 321 O LYS A 25 3.761 18.980 6.731 1.00 0.00 O ATOM 322 CB LYS A 25 2.993 16.209 8.649 1.00 0.00 C ATOM 323 CG LYS A 25 4.064 16.776 9.565 1.00 0.00 C ATOM 324 CD LYS A 25 5.447 16.654 8.948 1.00 0.00 C ATOM 325 CE LYS A 25 6.454 17.545 9.658 1.00 0.00 C ATOM 326 NZ LYS A 25 6.198 18.988 9.398 1.00 0.00 N ATOM 0 H LYS A 25 1.402 15.633 6.783 1.00 0.00 H new ATOM 0 HA LYS A 25 1.993 18.071 8.249 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.188 15.796 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.416 15.384 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.849 17.824 9.773 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.043 16.251 10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.779 15.617 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.401 16.924 7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.413 17.356 10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.461 17.290 9.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.049 19.539 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.960 19.123 8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.405 19.312 9.988 1.00 0.00 H new ATOM 340 N TYR A 26 4.149 16.877 6.032 1.00 0.00 N ATOM 341 CA TYR A 26 5.220 17.261 5.121 1.00 0.00 C ATOM 342 C TYR A 26 4.653 17.853 3.833 1.00 0.00 C ATOM 343 O TYR A 26 4.936 18.999 3.486 1.00 0.00 O ATOM 344 CB TYR A 26 6.099 16.053 4.795 1.00 0.00 C ATOM 345 CG TYR A 26 7.259 15.875 5.748 1.00 0.00 C ATOM 346 CD1 TYR A 26 8.055 16.953 6.115 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.559 14.628 6.284 1.00 0.00 C ATOM 348 CE1 TYR A 26 9.117 16.794 6.985 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.617 14.460 7.155 1.00 0.00 C ATOM 350 CZ TYR A 26 9.393 15.546 7.503 1.00 0.00 C ATOM 351 OH TYR A 26 10.449 15.384 8.370 1.00 0.00 O ATOM 0 H TYR A 26 3.948 15.877 6.049 1.00 0.00 H new ATOM 0 HA TYR A 26 5.826 18.021 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.485 15.152 4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.485 16.158 3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.840 17.932 5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.954 13.775 6.014 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.727 17.642 7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.836 13.484 7.562 1.00 0.00 H new ATOM 0 HH TYR A 26 11.266 15.201 7.860 1.00 0.00 H new ATOM 361 N GLY A 27 3.849 17.061 3.129 1.00 0.00 N ATOM 362 CA GLY A 27 3.254 17.524 1.888 1.00 0.00 C ATOM 363 C GLY A 27 3.708 16.712 0.691 1.00 0.00 C ATOM 364 O GLY A 27 3.965 15.513 0.805 1.00 0.00 O ATOM 0 H GLY A 27 3.599 16.109 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.168 17.473 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.513 18.571 1.733 1.00 0.00 H new ATOM 368 N LYS A 28 3.804 17.365 -0.461 1.00 0.00 N ATOM 369 CA LYS A 28 4.230 16.698 -1.686 1.00 0.00 C ATOM 370 C LYS A 28 5.742 16.494 -1.698 1.00 0.00 C ATOM 371 O LYS A 28 6.409 16.780 -2.693 1.00 0.00 O ATOM 372 CB LYS A 28 3.806 17.513 -2.909 1.00 0.00 C ATOM 373 CG LYS A 28 2.430 17.147 -3.438 1.00 0.00 C ATOM 374 CD LYS A 28 2.333 17.364 -4.939 1.00 0.00 C ATOM 375 CE LYS A 28 3.079 16.284 -5.708 1.00 0.00 C ATOM 376 NZ LYS A 28 3.356 16.694 -7.112 1.00 0.00 N ATOM 0 H LYS A 28 3.592 18.357 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 28 3.749 15.721 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.817 18.572 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.540 17.371 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.216 16.104 -3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.674 17.748 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.285 17.369 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.742 18.342 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.019 16.062 -5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.491 15.366 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.865 15.931 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.458 16.882 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.938 17.556 -7.114 1.00 0.00 H new ATOM 390 N ASP A 29 6.275 15.995 -0.589 1.00 0.00 N ATOM 391 CA ASP A 29 7.707 15.748 -0.472 1.00 0.00 C ATOM 392 C ASP A 29 7.980 14.303 -0.068 1.00 0.00 C ATOM 393 O ASP A 29 8.387 14.030 1.062 1.00 0.00 O ATOM 394 CB ASP A 29 8.329 16.703 0.548 1.00 0.00 C ATOM 395 CG ASP A 29 8.780 18.008 -0.079 1.00 0.00 C ATOM 396 OD1 ASP A 29 8.182 18.415 -1.096 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.731 18.620 0.449 1.00 0.00 O ATOM 0 H ASP A 29 5.736 15.753 0.243 1.00 0.00 H new ATOM 0 HA ASP A 29 8.161 15.924 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.604 16.913 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.182 16.218 1.023 1.00 0.00 H new ATOM 402 N PHE A 30 7.750 13.381 -0.996 1.00 0.00 N ATOM 403 CA PHE A 30 7.969 11.962 -0.735 1.00 0.00 C ATOM 404 C PHE A 30 9.363 11.723 -0.162 1.00 0.00 C ATOM 405 O PHE A 30 9.572 10.801 0.625 1.00 0.00 O ATOM 406 CB PHE A 30 7.788 11.153 -2.020 1.00 0.00 C ATOM 407 CG PHE A 30 6.774 11.738 -2.961 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.496 12.041 -2.521 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.099 11.986 -4.285 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.560 12.579 -3.384 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.168 12.524 -5.152 1.00 0.00 C ATOM 412 CZ PHE A 30 4.896 12.822 -4.701 1.00 0.00 C ATOM 0 H PHE A 30 7.412 13.590 -1.935 1.00 0.00 H new ATOM 0 HA PHE A 30 7.233 11.635 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.747 11.081 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.488 10.138 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.228 11.855 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.092 11.756 -4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.567 12.809 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.434 12.712 -6.182 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.167 13.244 -5.377 1.00 0.00 H new ATOM 422 N ASN A 31 10.313 12.562 -0.562 1.00 0.00 N ATOM 423 CA ASN A 31 11.688 12.442 -0.090 1.00 0.00 C ATOM 424 C ASN A 31 11.749 12.538 1.432 1.00 0.00 C ATOM 425 O ASN A 31 12.234 11.627 2.102 1.00 0.00 O ATOM 426 CB ASN A 31 12.562 13.530 -0.717 1.00 0.00 C ATOM 427 CG ASN A 31 14.006 13.093 -0.872 1.00 0.00 C ATOM 428 OD1 ASN A 31 14.376 12.476 -1.871 1.00 0.00 O ATOM 429 ND2 ASN A 31 14.829 13.411 0.119 1.00 0.00 N ATOM 0 H ASN A 31 10.156 13.332 -1.212 1.00 0.00 H new ATOM 0 HA ASN A 31 12.066 11.465 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.159 13.798 -1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.521 14.427 -0.099 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.812 13.143 0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.479 13.923 0.928 1.00 0.00 H new ATOM 436 N ASP A 32 11.256 13.649 1.969 1.00 0.00 N ATOM 437 CA ASP A 32 11.254 13.865 3.411 1.00 0.00 C ATOM 438 C ASP A 32 10.620 12.683 4.137 1.00 0.00 C ATOM 439 O ASP A 32 11.197 12.138 5.078 1.00 0.00 O ATOM 440 CB ASP A 32 10.504 15.153 3.755 1.00 0.00 C ATOM 441 CG ASP A 32 11.025 15.808 5.018 1.00 0.00 C ATOM 442 OD1 ASP A 32 11.446 15.074 5.936 1.00 0.00 O ATOM 443 OD2 ASP A 32 11.013 17.055 5.088 1.00 0.00 O ATOM 0 H ASP A 32 10.853 14.414 1.427 1.00 0.00 H new ATOM 0 HA ASP A 32 12.289 13.958 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.591 15.853 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.444 14.931 3.875 1.00 0.00 H new ATOM 448 N ILE A 33 9.429 12.293 3.693 1.00 0.00 N ATOM 449 CA ILE A 33 8.718 11.176 4.301 1.00 0.00 C ATOM 450 C ILE A 33 9.591 9.925 4.344 1.00 0.00 C ATOM 451 O ILE A 33 10.048 9.512 5.410 1.00 0.00 O ATOM 452 CB ILE A 33 7.419 10.854 3.538 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.538 12.101 3.441 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.669 9.721 4.223 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.374 11.945 2.487 1.00 0.00 C ATOM 0 H ILE A 33 8.937 12.734 2.916 1.00 0.00 H new ATOM 0 HA ILE A 33 8.469 11.478 5.318 1.00 0.00 H new ATOM 0 HB ILE A 33 7.677 10.534 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.155 12.344 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.150 12.944 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.754 9.505 3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.297 8.830 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.418 10.015 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.793 12.867 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.750 11.733 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.740 11.123 2.818 1.00 0.00 H new ATOM 467 N ARG A 34 9.819 9.329 3.178 1.00 0.00 N ATOM 468 CA ARG A 34 10.638 8.126 3.084 1.00 0.00 C ATOM 469 C ARG A 34 11.903 8.261 3.926 1.00 0.00 C ATOM 470 O ARG A 34 12.513 7.264 4.310 1.00 0.00 O ATOM 471 CB ARG A 34 11.011 7.852 1.625 1.00 0.00 C ATOM 472 CG ARG A 34 12.195 6.912 1.466 1.00 0.00 C ATOM 473 CD ARG A 34 12.642 6.822 0.015 1.00 0.00 C ATOM 474 NE ARG A 34 13.269 8.058 -0.443 1.00 0.00 N ATOM 475 CZ ARG A 34 14.530 8.383 -0.183 1.00 0.00 C ATOM 476 NH1 ARG A 34 15.296 7.566 0.527 1.00 0.00 N ATOM 477 NH2 ARG A 34 15.030 9.527 -0.634 1.00 0.00 N ATOM 0 H ARG A 34 9.449 9.659 2.287 1.00 0.00 H new ATOM 0 HA ARG A 34 10.055 7.289 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.149 7.427 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.240 8.798 1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.024 7.261 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.925 5.920 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.345 5.996 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.782 6.597 -0.616 1.00 0.00 H new ATOM 0 HE ARG A 34 12.708 8.708 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.917 6.685 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 34 16.264 7.818 0.725 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.445 10.158 -1.181 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.999 9.775 -0.433 1.00 0.00 H new ATOM 491 N GLN A 35 12.290 9.502 4.208 1.00 0.00 N ATOM 492 CA GLN A 35 13.482 9.766 5.004 1.00 0.00 C ATOM 493 C GLN A 35 13.307 9.263 6.433 1.00 0.00 C ATOM 494 O GLN A 35 14.017 8.360 6.875 1.00 0.00 O ATOM 495 CB GLN A 35 13.793 11.264 5.012 1.00 0.00 C ATOM 496 CG GLN A 35 15.266 11.579 5.218 1.00 0.00 C ATOM 497 CD GLN A 35 16.059 11.533 3.927 1.00 0.00 C ATOM 498 OE1 GLN A 35 16.821 10.597 3.687 1.00 0.00 O ATOM 499 NE2 GLN A 35 15.883 12.547 3.087 1.00 0.00 N ATOM 0 H GLN A 35 11.796 10.338 3.897 1.00 0.00 H new ATOM 0 HA GLN A 35 14.316 9.231 4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.466 11.700 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.214 11.743 5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.363 12.569 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.690 10.867 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.241 13.302 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.390 12.570 2.202 1.00 0.00 H new ATOM 508 N ASP A 36 12.357 9.853 7.149 1.00 0.00 N ATOM 509 CA ASP A 36 12.087 9.464 8.528 1.00 0.00 C ATOM 510 C ASP A 36 10.791 8.663 8.624 1.00 0.00 C ATOM 511 O ASP A 36 10.786 7.526 9.094 1.00 0.00 O ATOM 512 CB ASP A 36 12.003 10.702 9.423 1.00 0.00 C ATOM 513 CG ASP A 36 13.358 11.127 9.952 1.00 0.00 C ATOM 514 OD1 ASP A 36 13.891 10.433 10.843 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.885 12.153 9.475 1.00 0.00 O ATOM 0 H ASP A 36 11.761 10.602 6.798 1.00 0.00 H new ATOM 0 HA ASP A 36 12.909 8.834 8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.562 11.524 8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.337 10.496 10.261 1.00 0.00 H new ATOM 520 N PHE A 37 9.695 9.265 8.174 1.00 0.00 N ATOM 521 CA PHE A 37 8.394 8.609 8.211 1.00 0.00 C ATOM 522 C PHE A 37 8.533 7.109 7.968 1.00 0.00 C ATOM 523 O PHE A 37 8.282 6.299 8.861 1.00 0.00 O ATOM 524 CB PHE A 37 7.460 9.221 7.163 1.00 0.00 C ATOM 525 CG PHE A 37 6.713 10.426 7.658 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.394 11.562 8.067 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.328 10.424 7.714 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.709 12.673 8.523 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.638 11.532 8.168 1.00 0.00 C ATOM 530 CZ PHE A 37 5.329 12.657 8.574 1.00 0.00 C ATOM 0 H PHE A 37 9.682 10.206 7.780 1.00 0.00 H new ATOM 0 HA PHE A 37 7.967 8.761 9.202 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.044 9.500 6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.743 8.466 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.473 11.579 8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.782 9.547 7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.252 13.552 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.559 11.518 8.205 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.791 13.523 8.931 1.00 0.00 H new ATOM 540 N LEU A 38 8.934 6.747 6.755 1.00 0.00 N ATOM 541 CA LEU A 38 9.107 5.344 6.394 1.00 0.00 C ATOM 542 C LEU A 38 10.421 5.132 5.649 1.00 0.00 C ATOM 543 O LEU A 38 10.502 5.276 4.429 1.00 0.00 O ATOM 544 CB LEU A 38 7.936 4.872 5.530 1.00 0.00 C ATOM 545 CG LEU A 38 6.549 4.977 6.165 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.488 5.185 5.096 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.243 3.733 6.987 1.00 0.00 C ATOM 0 H LEU A 38 9.146 7.405 6.005 1.00 0.00 H new ATOM 0 HA LEU A 38 9.133 4.758 7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.936 5.451 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.110 3.832 5.254 1.00 0.00 H new ATOM 0 HG LEU A 38 6.540 5.840 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.507 5.257 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.697 6.105 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.498 4.342 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.252 3.825 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.271 2.855 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.986 3.627 7.777 1.00 0.00 H new ATOM 559 N PRO A 39 11.477 4.781 6.398 1.00 0.00 N ATOM 560 CA PRO A 39 12.805 4.538 5.830 1.00 0.00 C ATOM 561 C PRO A 39 12.854 3.266 4.991 1.00 0.00 C ATOM 562 O PRO A 39 13.804 3.043 4.239 1.00 0.00 O ATOM 563 CB PRO A 39 13.699 4.398 7.065 1.00 0.00 C ATOM 564 CG PRO A 39 12.782 3.948 8.148 1.00 0.00 C ATOM 565 CD PRO A 39 11.453 4.591 7.858 1.00 0.00 C ATOM 0 HA PRO A 39 13.110 5.336 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.497 3.675 6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.176 5.345 7.318 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.696 2.861 8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.156 4.249 9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.623 3.955 8.167 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.342 5.539 8.385 1.00 0.00 H new ATOM 573 N TRP A 40 11.826 2.437 5.123 1.00 0.00 N ATOM 574 CA TRP A 40 11.751 1.187 4.374 1.00 0.00 C ATOM 575 C TRP A 40 10.801 1.317 3.190 1.00 0.00 C ATOM 576 O TRP A 40 10.062 0.386 2.868 1.00 0.00 O ATOM 577 CB TRP A 40 11.293 0.048 5.288 1.00 0.00 C ATOM 578 CG TRP A 40 9.953 0.291 5.914 1.00 0.00 C ATOM 579 CD1 TRP A 40 8.731 0.065 5.347 1.00 0.00 C ATOM 580 CD2 TRP A 40 9.700 0.810 7.224 1.00 0.00 C ATOM 581 NE1 TRP A 40 7.733 0.412 6.227 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.302 0.871 7.386 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.519 1.227 8.277 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.708 1.333 8.557 1.00 0.00 C ATOM 585 CZ3 TRP A 40 9.927 1.686 9.439 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.533 1.734 9.572 1.00 0.00 C ATOM 0 H TRP A 40 11.033 2.607 5.741 1.00 0.00 H new ATOM 0 HA TRP A 40 12.747 0.961 3.993 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.255 -0.877 4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.033 -0.097 6.075 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.572 -0.328 4.354 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.732 0.340 6.046 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.594 1.191 8.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.634 1.373 8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.550 2.013 10.258 1.00 0.00 H new ATOM 0 HH2 TRP A 40 8.101 2.095 10.494 1.00 0.00 H new ATOM 597 N LYS A 41 10.826 2.476 2.542 1.00 0.00 N ATOM 598 CA LYS A 41 9.968 2.729 1.390 1.00 0.00 C ATOM 599 C LYS A 41 10.736 3.452 0.288 1.00 0.00 C ATOM 600 O LYS A 41 11.745 4.108 0.549 1.00 0.00 O ATOM 601 CB LYS A 41 8.752 3.558 1.806 1.00 0.00 C ATOM 602 CG LYS A 41 7.856 2.860 2.815 1.00 0.00 C ATOM 603 CD LYS A 41 6.785 2.028 2.128 1.00 0.00 C ATOM 604 CE LYS A 41 6.084 1.102 3.110 1.00 0.00 C ATOM 605 NZ LYS A 41 5.279 0.061 2.413 1.00 0.00 N ATOM 0 H LYS A 41 11.432 3.257 2.795 1.00 0.00 H new ATOM 0 HA LYS A 41 9.630 1.768 1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.094 4.503 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.167 3.799 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.460 2.219 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.384 3.602 3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.053 2.688 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.237 1.439 1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.825 0.621 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.435 1.687 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.042 -0.700 3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.403 0.486 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.829 -0.331 1.622 1.00 0.00 H new ATOM 619 N SER A 42 10.252 3.328 -0.944 1.00 0.00 N ATOM 620 CA SER A 42 10.893 3.969 -2.085 1.00 0.00 C ATOM 621 C SER A 42 10.266 5.331 -2.369 1.00 0.00 C ATOM 622 O SER A 42 9.215 5.668 -1.823 1.00 0.00 O ATOM 623 CB SER A 42 10.786 3.077 -3.324 1.00 0.00 C ATOM 624 OG SER A 42 11.735 2.025 -3.279 1.00 0.00 O ATOM 0 H SER A 42 9.418 2.789 -1.177 1.00 0.00 H new ATOM 0 HA SER A 42 11.945 4.118 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.781 2.661 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.944 3.675 -4.221 1.00 0.00 H new ATOM 0 HG SER A 42 11.645 1.469 -4.081 1.00 0.00 H new ATOM 630 N LEU A 43 10.917 6.108 -3.227 1.00 0.00 N ATOM 631 CA LEU A 43 10.425 7.433 -3.586 1.00 0.00 C ATOM 632 C LEU A 43 9.088 7.338 -4.316 1.00 0.00 C ATOM 633 O LEU A 43 8.086 7.901 -3.875 1.00 0.00 O ATOM 634 CB LEU A 43 11.447 8.161 -4.460 1.00 0.00 C ATOM 635 CG LEU A 43 11.317 9.682 -4.521 1.00 0.00 C ATOM 636 CD1 LEU A 43 9.963 10.081 -5.086 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.521 10.290 -3.141 1.00 0.00 C ATOM 0 H LEU A 43 11.788 5.843 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 43 10.277 7.999 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.445 7.916 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.372 7.769 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 43 12.091 10.067 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.890 11.168 -5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.855 9.677 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.172 9.685 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.425 11.374 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.769 9.898 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.515 10.034 -2.774 1.00 0.00 H new ATOM 649 N THR A 44 9.081 6.620 -5.435 1.00 0.00 N ATOM 650 CA THR A 44 7.869 6.451 -6.225 1.00 0.00 C ATOM 651 C THR A 44 6.847 5.592 -5.488 1.00 0.00 C ATOM 652 O THR A 44 5.679 5.963 -5.372 1.00 0.00 O ATOM 653 CB THR A 44 8.175 5.806 -7.591 1.00 0.00 C ATOM 654 OG1 THR A 44 9.477 6.200 -8.038 1.00 0.00 O ATOM 655 CG2 THR A 44 7.134 6.209 -8.625 1.00 0.00 C ATOM 0 H THR A 44 9.901 6.147 -5.814 1.00 0.00 H new ATOM 0 HA THR A 44 7.455 7.446 -6.385 1.00 0.00 H new ATOM 0 HB THR A 44 8.145 4.723 -7.472 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.665 5.785 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.371 5.742 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.148 5.881 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.136 7.293 -8.740 1.00 0.00 H new ATOM 663 N SER A 45 7.294 4.444 -4.992 1.00 0.00 N ATOM 664 CA SER A 45 6.418 3.530 -4.268 1.00 0.00 C ATOM 665 C SER A 45 5.426 4.302 -3.402 1.00 0.00 C ATOM 666 O SER A 45 4.213 4.136 -3.531 1.00 0.00 O ATOM 667 CB SER A 45 7.242 2.581 -3.397 1.00 0.00 C ATOM 668 OG SER A 45 7.959 1.652 -4.191 1.00 0.00 O ATOM 0 H SER A 45 8.259 4.124 -5.078 1.00 0.00 H new ATOM 0 HA SER A 45 5.859 2.946 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.938 3.156 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.583 2.047 -2.712 1.00 0.00 H new ATOM 0 HG SER A 45 8.431 2.128 -4.906 1.00 0.00 H new ATOM 674 N ILE A 46 5.952 5.143 -2.519 1.00 0.00 N ATOM 675 CA ILE A 46 5.114 5.941 -1.632 1.00 0.00 C ATOM 676 C ILE A 46 4.111 6.773 -2.424 1.00 0.00 C ATOM 677 O ILE A 46 2.963 6.938 -2.010 1.00 0.00 O ATOM 678 CB ILE A 46 5.960 6.880 -0.752 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.818 6.068 0.221 1.00 0.00 C ATOM 680 CG2 ILE A 46 5.063 7.847 0.006 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.820 6.904 0.986 1.00 0.00 C ATOM 0 H ILE A 46 6.954 5.290 -2.398 1.00 0.00 H new ATOM 0 HA ILE A 46 4.577 5.241 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 46 6.622 7.458 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.165 5.559 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.350 5.296 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.676 8.504 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.491 8.445 -0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.378 7.286 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.393 6.263 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.497 7.393 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.294 7.660 1.569 1.00 0.00 H new ATOM 693 N ILE A 47 4.551 7.293 -3.564 1.00 0.00 N ATOM 694 CA ILE A 47 3.691 8.104 -4.416 1.00 0.00 C ATOM 695 C ILE A 47 2.484 7.306 -4.898 1.00 0.00 C ATOM 696 O ILE A 47 1.341 7.734 -4.737 1.00 0.00 O ATOM 697 CB ILE A 47 4.456 8.644 -5.639 1.00 0.00 C ATOM 698 CG1 ILE A 47 5.651 9.486 -5.188 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.529 9.461 -6.526 1.00 0.00 C ATOM 700 CD1 ILE A 47 6.569 9.888 -6.322 1.00 0.00 C ATOM 0 H ILE A 47 5.499 7.167 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 47 3.351 8.944 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 47 4.828 7.799 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.285 10.385 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.223 8.924 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.085 9.835 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.708 8.833 -6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.129 10.301 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.394 10.483 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.964 8.994 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.011 10.477 -7.050 1.00 0.00 H new ATOM 712 N GLU A 48 2.746 6.143 -5.487 1.00 0.00 N ATOM 713 CA GLU A 48 1.680 5.286 -5.991 1.00 0.00 C ATOM 714 C GLU A 48 0.449 5.362 -5.092 1.00 0.00 C ATOM 715 O GLU A 48 -0.669 5.555 -5.569 1.00 0.00 O ATOM 716 CB GLU A 48 2.165 3.837 -6.089 1.00 0.00 C ATOM 717 CG GLU A 48 2.831 3.506 -7.413 1.00 0.00 C ATOM 718 CD GLU A 48 3.224 2.046 -7.521 1.00 0.00 C ATOM 719 OE1 GLU A 48 3.402 1.401 -6.467 1.00 0.00 O ATOM 720 OE2 GLU A 48 3.351 1.547 -8.658 1.00 0.00 O ATOM 0 H GLU A 48 3.686 5.773 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 48 1.404 5.638 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.869 3.643 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.317 3.168 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.153 3.757 -8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.719 4.127 -7.534 1.00 0.00 H new ATOM 727 N TYR A 49 0.665 5.208 -3.790 1.00 0.00 N ATOM 728 CA TYR A 49 -0.427 5.257 -2.824 1.00 0.00 C ATOM 729 C TYR A 49 -1.279 6.506 -3.027 1.00 0.00 C ATOM 730 O TYR A 49 -2.508 6.443 -3.009 1.00 0.00 O ATOM 731 CB TYR A 49 0.125 5.228 -1.398 1.00 0.00 C ATOM 732 CG TYR A 49 -0.949 5.198 -0.334 1.00 0.00 C ATOM 733 CD1 TYR A 49 -1.767 6.299 -0.114 1.00 0.00 C ATOM 734 CD2 TYR A 49 -1.144 4.068 0.452 1.00 0.00 C ATOM 735 CE1 TYR A 49 -2.749 6.275 0.858 1.00 0.00 C ATOM 736 CE2 TYR A 49 -2.124 4.036 1.425 1.00 0.00 C ATOM 737 CZ TYR A 49 -2.924 5.142 1.624 1.00 0.00 C ATOM 738 OH TYR A 49 -3.901 5.113 2.593 1.00 0.00 O ATOM 0 H TYR A 49 1.585 5.048 -3.379 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.057 4.381 -2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.764 4.353 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.754 6.104 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.633 7.188 -0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.519 3.201 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.376 7.140 1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.263 3.150 2.027 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.685 5.613 2.282 1.00 0.00 H new ATOM 748 N TYR A 50 -0.616 7.641 -3.221 1.00 0.00 N ATOM 749 CA TYR A 50 -1.310 8.906 -3.425 1.00 0.00 C ATOM 750 C TYR A 50 -2.416 8.758 -4.466 1.00 0.00 C ATOM 751 O TYR A 50 -3.488 9.352 -4.339 1.00 0.00 O ATOM 752 CB TYR A 50 -0.323 9.989 -3.864 1.00 0.00 C ATOM 753 CG TYR A 50 -0.983 11.305 -4.212 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.655 12.044 -3.246 1.00 0.00 C ATOM 755 CD2 TYR A 50 -0.934 11.808 -5.506 1.00 0.00 C ATOM 756 CE1 TYR A 50 -2.259 13.246 -3.559 1.00 0.00 C ATOM 757 CE2 TYR A 50 -1.533 13.010 -5.828 1.00 0.00 C ATOM 758 CZ TYR A 50 -2.195 13.726 -4.851 1.00 0.00 C ATOM 759 OH TYR A 50 -2.796 14.922 -5.168 1.00 0.00 O ATOM 0 H TYR A 50 0.401 7.710 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.763 9.200 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.400 10.155 -3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.234 9.631 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.706 11.672 -2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.419 11.249 -6.273 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.779 13.807 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.484 13.388 -6.839 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.657 15.116 -6.118 1.00 0.00 H new ATOM 769 N TYR A 51 -2.148 7.964 -5.495 1.00 0.00 N ATOM 770 CA TYR A 51 -3.118 7.737 -6.560 1.00 0.00 C ATOM 771 C TYR A 51 -4.129 6.668 -6.159 1.00 0.00 C ATOM 772 O TYR A 51 -5.331 6.827 -6.361 1.00 0.00 O ATOM 773 CB TYR A 51 -2.406 7.325 -7.849 1.00 0.00 C ATOM 774 CG TYR A 51 -1.230 8.208 -8.201 1.00 0.00 C ATOM 775 CD1 TYR A 51 -1.381 9.584 -8.322 1.00 0.00 C ATOM 776 CD2 TYR A 51 0.033 7.667 -8.410 1.00 0.00 C ATOM 777 CE1 TYR A 51 -0.310 10.395 -8.645 1.00 0.00 C ATOM 778 CE2 TYR A 51 1.110 8.471 -8.731 1.00 0.00 C ATOM 779 CZ TYR A 51 0.933 9.834 -8.846 1.00 0.00 C ATOM 780 OH TYR A 51 2.003 10.637 -9.166 1.00 0.00 O ATOM 0 H TYR A 51 -1.266 7.466 -5.615 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.654 8.670 -6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.060 6.296 -7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.122 7.343 -8.671 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.353 10.027 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.175 6.600 -8.320 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.446 11.462 -8.739 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.085 8.035 -8.891 1.00 0.00 H new ATOM 0 HH TYR A 51 2.806 10.085 -9.273 1.00 0.00 H new ATOM 790 N MET A 52 -3.629 5.575 -5.589 1.00 0.00 N ATOM 791 CA MET A 52 -4.487 4.478 -5.157 1.00 0.00 C ATOM 792 C MET A 52 -5.438 4.933 -4.056 1.00 0.00 C ATOM 793 O MET A 52 -6.473 4.308 -3.819 1.00 0.00 O ATOM 794 CB MET A 52 -3.640 3.305 -4.663 1.00 0.00 C ATOM 795 CG MET A 52 -3.336 3.359 -3.174 1.00 0.00 C ATOM 796 SD MET A 52 -4.579 2.511 -2.180 1.00 0.00 S ATOM 797 CE MET A 52 -4.668 3.594 -0.756 1.00 0.00 C ATOM 0 H MET A 52 -2.635 5.426 -5.416 1.00 0.00 H new ATOM 0 HA MET A 52 -5.079 4.154 -6.013 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.160 2.373 -4.886 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.701 3.287 -5.217 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.360 2.909 -2.990 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.272 4.400 -2.858 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.470 3.021 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.925 4.386 -0.854 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.663 4.036 -0.696 1.00 0.00 H new ATOM 807 N TRP A 53 -5.081 6.023 -3.386 1.00 0.00 N ATOM 808 CA TRP A 53 -5.905 6.561 -2.309 1.00 0.00 C ATOM 809 C TRP A 53 -6.933 7.548 -2.849 1.00 0.00 C ATOM 810 O TRP A 53 -8.066 7.604 -2.372 1.00 0.00 O ATOM 811 CB TRP A 53 -5.026 7.246 -1.261 1.00 0.00 C ATOM 812 CG TRP A 53 -5.798 7.765 -0.085 1.00 0.00 C ATOM 813 CD1 TRP A 53 -6.474 7.025 0.842 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.972 9.136 0.287 1.00 0.00 C ATOM 815 NE1 TRP A 53 -7.060 7.854 1.769 1.00 0.00 N ATOM 816 CE2 TRP A 53 -6.766 9.154 1.450 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.534 10.350 -0.248 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -7.130 10.338 2.085 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -5.897 11.525 0.382 1.00 0.00 C ATOM 820 CH2 TRP A 53 -6.688 11.513 1.539 1.00 0.00 C ATOM 0 H TRP A 53 -4.228 6.551 -3.569 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.436 5.731 -1.843 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.274 6.539 -0.910 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.492 8.073 -1.729 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.539 5.947 0.846 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.622 7.551 2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.923 10.370 -1.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.739 10.330 2.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.565 12.469 -0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.954 12.448 2.009 1.00 0.00 H new ATOM 831 N LYS A 54 -6.532 8.324 -3.850 1.00 0.00 N ATOM 832 CA LYS A 54 -7.420 9.308 -4.459 1.00 0.00 C ATOM 833 C LYS A 54 -8.420 8.635 -5.394 1.00 0.00 C ATOM 834 O LYS A 54 -9.574 9.053 -5.490 1.00 0.00 O ATOM 835 CB LYS A 54 -6.607 10.351 -5.230 1.00 0.00 C ATOM 836 CG LYS A 54 -7.452 11.462 -5.827 1.00 0.00 C ATOM 837 CD LYS A 54 -8.129 12.290 -4.748 1.00 0.00 C ATOM 838 CE LYS A 54 -8.565 13.647 -5.279 1.00 0.00 C ATOM 839 NZ LYS A 54 -9.786 13.546 -6.125 1.00 0.00 N ATOM 0 H LYS A 54 -5.597 8.291 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.973 9.804 -3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.866 10.789 -4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.059 9.853 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.824 12.107 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.208 11.032 -6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.996 11.752 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.445 12.428 -3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.757 14.319 -4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.755 14.086 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.050 14.492 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.595 12.925 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.566 13.151 -5.563 1.00 0.00 H new ATOM 853 N THR A 55 -7.968 7.590 -6.081 1.00 0.00 N ATOM 854 CA THR A 55 -8.824 6.859 -7.008 1.00 0.00 C ATOM 855 C THR A 55 -9.915 6.097 -6.265 1.00 0.00 C ATOM 856 O THR A 55 -11.054 6.013 -6.727 1.00 0.00 O ATOM 857 CB THR A 55 -8.010 5.867 -7.860 1.00 0.00 C ATOM 858 OG1 THR A 55 -7.290 4.967 -7.010 1.00 0.00 O ATOM 859 CG2 THR A 55 -7.036 6.605 -8.766 1.00 0.00 C ATOM 0 H THR A 55 -7.016 7.231 -6.013 1.00 0.00 H new ATOM 0 HA THR A 55 -9.284 7.598 -7.664 1.00 0.00 H new ATOM 0 HB THR A 55 -8.704 5.302 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.552 5.445 -6.578 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.472 5.884 -9.358 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.589 7.268 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.348 7.193 -8.158 1.00 0.00 H new ATOM 867 N THR A 56 -9.561 5.541 -5.110 1.00 0.00 N ATOM 868 CA THR A 56 -10.510 4.785 -4.302 1.00 0.00 C ATOM 869 C THR A 56 -11.729 5.630 -3.951 1.00 0.00 C ATOM 870 O THR A 56 -11.630 6.848 -3.806 1.00 0.00 O ATOM 871 CB THR A 56 -9.861 4.276 -3.002 1.00 0.00 C ATOM 872 OG1 THR A 56 -9.106 5.326 -2.387 1.00 0.00 O ATOM 873 CG2 THR A 56 -8.953 3.087 -3.280 1.00 0.00 C ATOM 0 H THR A 56 -8.623 5.600 -4.713 1.00 0.00 H new ATOM 0 HA THR A 56 -10.824 3.930 -4.901 1.00 0.00 H new ATOM 0 HB THR A 56 -10.655 3.957 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.275 6.169 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.506 2.745 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.537 2.279 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.165 3.385 -3.972 1.00 0.00 H new ATOM 881 N ASP A 57 -12.877 4.976 -3.818 1.00 0.00 N ATOM 882 CA ASP A 57 -14.117 5.668 -3.482 1.00 0.00 C ATOM 883 C ASP A 57 -14.203 5.930 -1.981 1.00 0.00 C ATOM 884 O ASP A 57 -15.235 5.687 -1.357 1.00 0.00 O ATOM 885 CB ASP A 57 -15.324 4.847 -3.938 1.00 0.00 C ATOM 886 CG ASP A 57 -15.658 3.725 -2.975 1.00 0.00 C ATOM 887 OD1 ASP A 57 -14.718 3.127 -2.412 1.00 0.00 O ATOM 888 OD2 ASP A 57 -16.861 3.444 -2.786 1.00 0.00 O ATOM 0 H ASP A 57 -12.976 3.968 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.122 6.626 -4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.188 5.503 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.123 4.428 -4.924 1.00 0.00 H new ATOM 893 N ARG A 58 -13.110 6.427 -1.409 1.00 0.00 N ATOM 894 CA ARG A 58 -13.062 6.720 0.018 1.00 0.00 C ATOM 895 C ARG A 58 -14.328 7.445 0.468 1.00 0.00 C ATOM 896 O ARG A 58 -15.043 6.975 1.354 1.00 0.00 O ATOM 897 CB ARG A 58 -11.832 7.570 0.344 1.00 0.00 C ATOM 898 CG ARG A 58 -11.477 7.584 1.822 1.00 0.00 C ATOM 899 CD ARG A 58 -12.288 8.623 2.580 1.00 0.00 C ATOM 900 NE ARG A 58 -12.158 8.470 4.027 1.00 0.00 N ATOM 901 CZ ARG A 58 -11.146 8.965 4.730 1.00 0.00 C ATOM 902 NH1 ARG A 58 -10.181 9.642 4.123 1.00 0.00 N ATOM 903 NH2 ARG A 58 -11.097 8.784 6.044 1.00 0.00 N ATOM 0 H ARG A 58 -12.247 6.635 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.995 5.774 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.980 7.194 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.009 8.593 0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.657 6.598 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.414 7.794 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.960 9.621 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.338 8.539 2.299 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.884 7.955 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.215 9.784 3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.405 10.021 4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.837 8.264 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.319 9.165 6.583 1.00 0.00 H new ATOM 917 N TYR A 59 -14.598 8.591 -0.148 1.00 0.00 N ATOM 918 CA TYR A 59 -15.775 9.381 0.190 1.00 0.00 C ATOM 919 C TYR A 59 -16.726 9.478 -0.998 1.00 0.00 C ATOM 920 O TYR A 59 -16.746 10.478 -1.714 1.00 0.00 O ATOM 921 CB TYR A 59 -15.361 10.782 0.642 1.00 0.00 C ATOM 922 CG TYR A 59 -16.420 11.495 1.452 1.00 0.00 C ATOM 923 CD1 TYR A 59 -17.679 11.746 0.921 1.00 0.00 C ATOM 924 CD2 TYR A 59 -16.162 11.917 2.751 1.00 0.00 C ATOM 925 CE1 TYR A 59 -18.649 12.397 1.658 1.00 0.00 C ATOM 926 CE2 TYR A 59 -17.126 12.567 3.496 1.00 0.00 C ATOM 927 CZ TYR A 59 -18.368 12.806 2.945 1.00 0.00 C ATOM 928 OH TYR A 59 -19.332 13.453 3.683 1.00 0.00 O ATOM 0 H TYR A 59 -14.017 8.993 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 59 -16.295 8.881 1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -14.450 10.709 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -15.122 11.382 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -17.903 11.426 -0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -15.190 11.733 3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -19.622 12.585 1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -16.909 12.887 4.505 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.974 13.673 4.568 1.00 0.00 H new ATOM 938 N VAL A 60 -17.517 8.429 -1.201 1.00 0.00 N ATOM 939 CA VAL A 60 -18.474 8.393 -2.301 1.00 0.00 C ATOM 940 C VAL A 60 -19.840 8.904 -1.857 1.00 0.00 C ATOM 941 O VAL A 60 -20.277 8.642 -0.737 1.00 0.00 O ATOM 942 CB VAL A 60 -18.629 6.968 -2.865 1.00 0.00 C ATOM 943 CG1 VAL A 60 -19.322 6.066 -1.855 1.00 0.00 C ATOM 944 CG2 VAL A 60 -19.393 6.996 -4.180 1.00 0.00 C ATOM 0 H VAL A 60 -17.514 7.592 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 60 -18.082 9.044 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 60 -17.636 6.562 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -19.423 5.064 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -18.730 6.022 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.310 6.466 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -19.493 5.981 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.383 7.422 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.851 7.606 -4.903 1.00 0.00 H new ATOM 954 N GLN A 61 -20.510 9.633 -2.744 1.00 0.00 N ATOM 955 CA GLN A 61 -21.827 10.181 -2.444 1.00 0.00 C ATOM 956 C GLN A 61 -22.886 9.595 -3.372 1.00 0.00 C ATOM 957 O GLN A 61 -22.572 8.816 -4.272 1.00 0.00 O ATOM 958 CB GLN A 61 -21.810 11.706 -2.568 1.00 0.00 C ATOM 959 CG GLN A 61 -21.045 12.399 -1.453 1.00 0.00 C ATOM 960 CD GLN A 61 -21.162 13.908 -1.515 1.00 0.00 C ATOM 961 OE1 GLN A 61 -22.200 14.447 -1.900 1.00 0.00 O ATOM 962 NE2 GLN A 61 -20.093 14.601 -1.138 1.00 0.00 N ATOM 0 H GLN A 61 -20.162 9.858 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 61 -22.079 9.910 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.367 11.979 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.836 12.073 -2.576 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.417 12.049 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -19.994 12.117 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -19.253 14.113 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.112 15.621 -1.161 1.00 0.00 H new ATOM 971 N GLN A 62 -24.139 9.974 -3.147 1.00 0.00 N ATOM 972 CA GLN A 62 -25.243 9.484 -3.964 1.00 0.00 C ATOM 973 C GLN A 62 -24.867 9.478 -5.442 1.00 0.00 C ATOM 974 O GLN A 62 -24.544 10.520 -6.015 1.00 0.00 O ATOM 975 CB GLN A 62 -26.488 10.346 -3.746 1.00 0.00 C ATOM 976 CG GLN A 62 -27.793 9.599 -3.967 1.00 0.00 C ATOM 977 CD GLN A 62 -28.312 8.944 -2.704 1.00 0.00 C ATOM 978 OE1 GLN A 62 -28.306 7.718 -2.578 1.00 0.00 O ATOM 979 NE2 GLN A 62 -28.764 9.757 -1.757 1.00 0.00 N ATOM 0 H GLN A 62 -24.416 10.618 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 62 -25.460 8.460 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -26.473 10.741 -2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -26.450 11.201 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -28.544 10.292 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -27.646 8.837 -4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -28.751 10.766 -1.902 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -29.124 9.372 -0.884 1.00 0.00 H new ATOM 988 N LYS A 63 -24.908 8.300 -6.053 1.00 0.00 N ATOM 989 CA LYS A 63 -24.573 8.157 -7.465 1.00 0.00 C ATOM 990 C LYS A 63 -25.598 7.285 -8.182 1.00 0.00 C ATOM 991 O LYS A 63 -26.011 6.246 -7.668 1.00 0.00 O ATOM 992 CB LYS A 63 -23.176 7.553 -7.619 1.00 0.00 C ATOM 993 CG LYS A 63 -23.118 6.067 -7.307 1.00 0.00 C ATOM 994 CD LYS A 63 -23.393 5.796 -5.837 1.00 0.00 C ATOM 995 CE LYS A 63 -22.763 4.488 -5.384 1.00 0.00 C ATOM 996 NZ LYS A 63 -23.656 3.324 -5.640 1.00 0.00 N ATOM 0 H LYS A 63 -25.170 7.429 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 63 -24.586 9.148 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.830 7.715 -8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -22.486 8.081 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.848 5.537 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.136 5.676 -7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -23.002 6.617 -5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -24.469 5.761 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.817 4.341 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.536 4.544 -4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.191 2.452 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -24.549 3.451 -5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.853 3.255 -6.659 1.00 0.00 H new ATOM 1010 N ARG A 64 -26.003 7.714 -9.374 1.00 0.00 N ATOM 1011 CA ARG A 64 -26.979 6.972 -10.162 1.00 0.00 C ATOM 1012 C ARG A 64 -26.525 5.531 -10.374 1.00 0.00 C ATOM 1013 O ARG A 64 -25.328 5.252 -10.447 1.00 0.00 O ATOM 1014 CB ARG A 64 -27.199 7.654 -11.514 1.00 0.00 C ATOM 1015 CG ARG A 64 -25.970 7.642 -12.408 1.00 0.00 C ATOM 1016 CD ARG A 64 -26.353 7.629 -13.880 1.00 0.00 C ATOM 1017 NE ARG A 64 -25.187 7.761 -14.750 1.00 0.00 N ATOM 1018 CZ ARG A 64 -24.629 8.927 -15.058 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -25.128 10.055 -14.570 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -23.570 8.966 -15.856 1.00 0.00 N ATOM 0 H ARG A 64 -25.670 8.572 -9.814 1.00 0.00 H new ATOM 0 HA ARG A 64 -27.920 6.960 -9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -28.020 7.158 -12.032 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -27.505 8.686 -11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -25.357 8.519 -12.198 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -25.362 6.766 -12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -26.874 6.700 -14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -27.049 8.443 -14.081 1.00 0.00 H new ATOM 0 HE ARG A 64 -24.779 6.912 -15.142 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -25.942 10.029 -13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -24.697 10.948 -14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -23.184 8.101 -16.233 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -23.142 9.861 -16.092 1.00 0.00 H new ATOM 1034 N SER A 65 -27.488 4.620 -10.472 1.00 0.00 N ATOM 1035 CA SER A 65 -27.187 3.208 -10.671 1.00 0.00 C ATOM 1036 C SER A 65 -28.306 2.518 -11.446 1.00 0.00 C ATOM 1037 O SER A 65 -29.482 2.654 -11.112 1.00 0.00 O ATOM 1038 CB SER A 65 -26.979 2.513 -9.325 1.00 0.00 C ATOM 1039 OG SER A 65 -26.193 1.344 -9.469 1.00 0.00 O ATOM 0 H SER A 65 -28.484 4.835 -10.417 1.00 0.00 H new ATOM 0 HA SER A 65 -26.268 3.137 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 65 -26.493 3.198 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 65 -27.946 2.254 -8.893 1.00 0.00 H new ATOM 0 HG SER A 65 -26.074 0.920 -8.594 1.00 0.00 H new ATOM 1045 N GLY A 66 -27.929 1.776 -12.483 1.00 0.00 N ATOM 1046 CA GLY A 66 -28.912 1.075 -13.289 1.00 0.00 C ATOM 1047 C GLY A 66 -29.660 0.019 -12.502 1.00 0.00 C ATOM 1048 O GLY A 66 -29.289 -0.331 -11.381 1.00 0.00 O ATOM 0 H GLY A 66 -26.961 1.648 -12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -29.624 1.794 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -28.414 0.606 -14.138 1.00 0.00 H new ATOM 1052 N PRO A 67 -30.743 -0.509 -13.093 1.00 0.00 N ATOM 1053 CA PRO A 67 -31.570 -1.538 -12.456 1.00 0.00 C ATOM 1054 C PRO A 67 -30.850 -2.879 -12.357 1.00 0.00 C ATOM 1055 O PRO A 67 -29.953 -3.173 -13.146 1.00 0.00 O ATOM 1056 CB PRO A 67 -32.780 -1.649 -13.387 1.00 0.00 C ATOM 1057 CG PRO A 67 -32.278 -1.193 -14.714 1.00 0.00 C ATOM 1058 CD PRO A 67 -31.244 -0.140 -14.427 1.00 0.00 C ATOM 0 HA PRO A 67 -31.828 -1.276 -11.430 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -33.151 -2.673 -13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -33.605 -1.027 -13.040 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -31.845 -2.022 -15.273 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -33.089 -0.789 -15.320 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -30.448 -0.146 -15.171 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -31.677 0.860 -14.431 1.00 0.00 H new ATOM 1066 N SER A 68 -31.250 -3.690 -11.382 1.00 0.00 N ATOM 1067 CA SER A 68 -30.641 -4.998 -11.178 1.00 0.00 C ATOM 1068 C SER A 68 -31.640 -6.115 -11.471 1.00 0.00 C ATOM 1069 O SER A 68 -32.852 -5.902 -11.439 1.00 0.00 O ATOM 1070 CB SER A 68 -30.124 -5.125 -9.744 1.00 0.00 C ATOM 1071 OG SER A 68 -31.178 -4.985 -8.807 1.00 0.00 O ATOM 0 H SER A 68 -31.993 -3.463 -10.721 1.00 0.00 H new ATOM 0 HA SER A 68 -29.803 -5.093 -11.869 1.00 0.00 H new ATOM 0 HB2 SER A 68 -29.643 -6.094 -9.612 1.00 0.00 H new ATOM 0 HB3 SER A 68 -29.365 -4.364 -9.559 1.00 0.00 H new ATOM 0 HG SER A 68 -30.822 -5.072 -7.898 1.00 0.00 H new ATOM 1077 N SER A 69 -31.121 -7.304 -11.757 1.00 0.00 N ATOM 1078 CA SER A 69 -31.966 -8.453 -12.061 1.00 0.00 C ATOM 1079 C SER A 69 -32.551 -9.050 -10.784 1.00 0.00 C ATOM 1080 O SER A 69 -33.738 -9.362 -10.718 1.00 0.00 O ATOM 1081 CB SER A 69 -31.165 -9.517 -12.814 1.00 0.00 C ATOM 1082 OG SER A 69 -32.024 -10.451 -13.445 1.00 0.00 O ATOM 0 H SER A 69 -30.120 -7.497 -11.785 1.00 0.00 H new ATOM 0 HA SER A 69 -32.787 -8.112 -12.692 1.00 0.00 H new ATOM 0 HB2 SER A 69 -30.531 -9.039 -13.561 1.00 0.00 H new ATOM 0 HB3 SER A 69 -30.504 -10.037 -12.121 1.00 0.00 H new ATOM 0 HG SER A 69 -31.488 -11.119 -13.921 1.00 0.00 H new ATOM 1088 N GLY A 70 -31.705 -9.205 -9.769 1.00 0.00 N ATOM 1089 CA GLY A 70 -32.154 -9.764 -8.507 1.00 0.00 C ATOM 1090 C GLY A 70 -32.327 -11.269 -8.569 1.00 0.00 C ATOM 1091 O GLY A 70 -33.438 -11.765 -8.759 1.00 0.00 O ATOM 0 H GLY A 70 -30.717 -8.953 -9.799 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -31.435 -9.516 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -33.101 -9.304 -8.226 1.00 0.00 H new TER 1095 GLY A 70