USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 17 SER OG : rot 160:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 78:sc= 0.12 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.33) USER MOD Single : A 33 SER OG : rot -46:sc= 1.06 USER MOD Single : A 36 TYR OH : rot 67:sc= 0.00171 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc=-0.00214 (180deg=-0.45) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.197 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.935 K(o=-0.94,f=-0.001) USER MOD Single : A 62 ASN : amide:sc= 0.331 X(o=0.33,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 70 GLN : amide:sc= 1.01 K(o=1,f=-0.013) USER MOD Single : A 74 GLN : amide:sc= 0.416 X(o=0.42,f=0) USER MOD Single : A 75 SER OG : rot 44:sc= 0.384 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.828 K(o=0.83,f=-0.005) USER MOD Single : A 82 GLN : amide:sc=-0.00809 X(o=-0.0081,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 13.307 -1.195 -13.849 1.00 0.00 N ATOM 2 CA LEU A 14 13.298 -2.278 -12.857 1.00 0.00 C ATOM 3 C LEU A 14 14.152 -1.831 -11.692 1.00 0.00 C ATOM 4 O LEU A 14 15.312 -1.495 -11.906 1.00 0.00 O ATOM 5 CB LEU A 14 13.753 -3.620 -13.440 1.00 0.00 C ATOM 6 CG LEU A 14 13.563 -4.815 -12.481 1.00 0.00 C ATOM 7 CD1 LEU A 14 14.609 -4.903 -11.363 1.00 0.00 C ATOM 8 CD2 LEU A 14 12.156 -4.858 -11.871 1.00 0.00 C ATOM 0 HA LEU A 14 12.278 -2.463 -12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.199 -3.812 -14.359 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.806 -3.549 -13.712 1.00 0.00 H new ATOM 0 HG LEU A 14 13.705 -5.686 -13.121 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.400 -5.770 -10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.602 -5.002 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.569 -3.999 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.074 -5.717 -11.205 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.976 -3.943 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.417 -4.945 -12.667 1.00 0.00 H new ATOM 20 N LEU A 15 13.523 -1.688 -10.527 1.00 0.00 N ATOM 21 CA LEU A 15 14.080 -1.124 -9.306 1.00 0.00 C ATOM 22 C LEU A 15 13.616 -1.982 -8.159 1.00 0.00 C ATOM 23 O LEU A 15 12.754 -2.854 -8.354 1.00 0.00 O ATOM 24 CB LEU A 15 13.521 0.294 -9.081 1.00 0.00 C ATOM 25 CG LEU A 15 13.546 1.272 -10.261 1.00 0.00 C ATOM 26 CD1 LEU A 15 12.613 2.432 -9.917 1.00 0.00 C ATOM 27 CD2 LEU A 15 14.947 1.789 -10.562 1.00 0.00 C ATOM 0 H LEU A 15 12.553 -1.981 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 15 15.167 -1.086 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.487 0.197 -8.749 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.078 0.746 -8.260 1.00 0.00 H new ATOM 0 HG LEU A 15 13.216 0.752 -11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.607 3.149 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.604 2.052 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.962 2.923 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.907 2.477 -11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.339 2.309 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.599 0.951 -10.808 1.00 0.00 H new ATOM 39 N ASP A 16 14.071 -1.653 -6.955 1.00 0.00 N ATOM 40 CA ASP A 16 13.562 -2.290 -5.774 1.00 0.00 C ATOM 41 C ASP A 16 13.540 -1.358 -4.601 1.00 0.00 C ATOM 42 O ASP A 16 14.394 -0.518 -4.462 1.00 0.00 O ATOM 43 CB ASP A 16 14.274 -3.596 -5.462 1.00 0.00 C ATOM 44 CG ASP A 16 15.763 -3.766 -5.743 1.00 0.00 C ATOM 45 OD1 ASP A 16 16.149 -3.937 -6.921 1.00 0.00 O ATOM 46 OD2 ASP A 16 16.508 -4.014 -4.766 1.00 0.00 O ATOM 0 H ASP A 16 14.789 -0.949 -6.785 1.00 0.00 H new ATOM 0 HA ASP A 16 12.526 -2.555 -5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.125 -3.795 -4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.754 -4.382 -6.010 1.00 0.00 H new ATOM 51 N SER A 17 12.484 -1.400 -3.812 1.00 0.00 N ATOM 52 CA SER A 17 12.203 -0.389 -2.814 1.00 0.00 C ATOM 53 C SER A 17 11.049 -0.861 -1.937 1.00 0.00 C ATOM 54 O SER A 17 10.087 -0.104 -1.749 1.00 0.00 O ATOM 55 CB SER A 17 11.891 0.914 -3.553 1.00 0.00 C ATOM 56 OG SER A 17 10.728 0.784 -4.350 1.00 0.00 O ATOM 0 H SER A 17 11.790 -2.146 -3.847 1.00 0.00 H new ATOM 0 HA SER A 17 13.052 -0.216 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.753 1.720 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.737 1.190 -4.182 1.00 0.00 H new ATOM 0 HG SER A 17 10.367 1.673 -4.550 1.00 0.00 H new ATOM 62 N TYR A 18 11.099 -2.114 -1.467 1.00 0.00 N ATOM 63 CA TYR A 18 9.982 -2.678 -0.721 1.00 0.00 C ATOM 64 C TYR A 18 9.660 -1.786 0.472 1.00 0.00 C ATOM 65 O TYR A 18 8.506 -1.412 0.617 1.00 0.00 O ATOM 66 CB TYR A 18 10.213 -4.137 -0.307 1.00 0.00 C ATOM 67 CG TYR A 18 10.319 -5.132 -1.450 1.00 0.00 C ATOM 68 CD1 TYR A 18 9.278 -5.241 -2.390 1.00 0.00 C ATOM 69 CD2 TYR A 18 11.426 -5.994 -1.542 1.00 0.00 C ATOM 70 CE1 TYR A 18 9.327 -6.209 -3.408 1.00 0.00 C ATOM 71 CE2 TYR A 18 11.482 -6.967 -2.556 1.00 0.00 C ATOM 72 CZ TYR A 18 10.429 -7.089 -3.492 1.00 0.00 C ATOM 73 OH TYR A 18 10.454 -8.051 -4.455 1.00 0.00 O ATOM 0 H TYR A 18 11.892 -2.744 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 18 9.117 -2.704 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.128 -4.189 0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.396 -4.445 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.431 -4.573 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.235 -5.909 -0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.523 -6.280 -4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.335 -7.626 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 18 11.281 -8.571 -4.377 1.00 0.00 H new ATOM 83 N GLU A 19 10.649 -1.343 1.251 1.00 0.00 N ATOM 84 CA GLU A 19 10.420 -0.424 2.367 1.00 0.00 C ATOM 85 C GLU A 19 9.767 0.890 1.905 1.00 0.00 C ATOM 86 O GLU A 19 8.739 1.266 2.465 1.00 0.00 O ATOM 87 CB GLU A 19 11.722 -0.207 3.157 1.00 0.00 C ATOM 88 CG GLU A 19 12.070 -1.481 3.947 1.00 0.00 C ATOM 89 CD GLU A 19 13.335 -1.360 4.801 1.00 0.00 C ATOM 90 OE1 GLU A 19 14.452 -1.218 4.251 1.00 0.00 O ATOM 91 OE2 GLU A 19 13.213 -1.529 6.037 1.00 0.00 O ATOM 0 H GLU A 19 11.626 -1.610 1.127 1.00 0.00 H new ATOM 0 HA GLU A 19 9.702 -0.880 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.535 0.043 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.608 0.635 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.230 -1.735 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.195 -2.307 3.247 1.00 0.00 H new ATOM 98 N ALA A 20 10.292 1.549 0.860 1.00 0.00 N ATOM 99 CA ALA A 20 9.750 2.816 0.355 1.00 0.00 C ATOM 100 C ALA A 20 8.265 2.675 0.018 1.00 0.00 C ATOM 101 O ALA A 20 7.440 3.508 0.393 1.00 0.00 O ATOM 102 CB ALA A 20 10.523 3.302 -0.887 1.00 0.00 C ATOM 0 H ALA A 20 11.105 1.216 0.342 1.00 0.00 H new ATOM 0 HA ALA A 20 9.866 3.558 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.097 4.242 -1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.571 3.453 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.449 2.555 -1.677 1.00 0.00 H new ATOM 108 N ILE A 21 7.930 1.629 -0.732 1.00 0.00 N ATOM 109 CA ILE A 21 6.587 1.376 -1.227 1.00 0.00 C ATOM 110 C ILE A 21 5.688 0.922 -0.079 1.00 0.00 C ATOM 111 O ILE A 21 4.548 1.379 0.001 1.00 0.00 O ATOM 112 CB ILE A 21 6.665 0.316 -2.333 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.421 0.870 -3.564 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.262 -0.126 -2.762 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.783 -0.198 -4.598 1.00 0.00 C ATOM 0 H ILE A 21 8.604 0.918 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 21 6.155 2.287 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 21 7.204 -0.543 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 21 6.807 1.633 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.334 1.361 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.342 -0.878 -3.547 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.736 -0.549 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.709 0.734 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.311 0.266 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.424 -0.949 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.873 -0.673 -4.964 1.00 0.00 H new ATOM 127 N LEU A 22 6.172 0.044 0.809 1.00 0.00 N ATOM 128 CA LEU A 22 5.440 -0.394 1.978 1.00 0.00 C ATOM 129 C LEU A 22 4.920 0.838 2.716 1.00 0.00 C ATOM 130 O LEU A 22 3.714 0.916 3.003 1.00 0.00 O ATOM 131 CB LEU A 22 6.268 -1.355 2.872 1.00 0.00 C ATOM 132 CG LEU A 22 6.375 -2.809 2.341 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.378 -3.683 3.103 1.00 0.00 C ATOM 134 CD2 LEU A 22 5.047 -3.544 2.438 1.00 0.00 C ATOM 0 H LEU A 22 7.096 -0.380 0.724 1.00 0.00 H new ATOM 0 HA LEU A 22 4.584 -0.994 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.273 -0.949 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.822 -1.378 3.866 1.00 0.00 H new ATOM 0 HG LEU A 22 6.704 -2.676 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.392 -4.683 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.372 -3.242 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.083 -3.746 4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.164 -4.558 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.728 -3.583 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.296 -3.019 1.848 1.00 0.00 H new ATOM 146 N SER A 23 5.802 1.821 2.908 1.00 0.00 N ATOM 147 CA SER A 23 5.483 3.084 3.588 1.00 0.00 C ATOM 148 C SER A 23 4.555 3.941 2.719 1.00 0.00 C ATOM 149 O SER A 23 3.624 4.572 3.222 1.00 0.00 O ATOM 150 CB SER A 23 6.763 3.853 3.932 1.00 0.00 C ATOM 151 OG SER A 23 7.638 3.108 4.767 1.00 0.00 O ATOM 0 H SER A 23 6.770 1.764 2.593 1.00 0.00 H new ATOM 0 HA SER A 23 4.966 2.851 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.283 4.117 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.500 4.787 4.429 1.00 0.00 H new ATOM 0 HG SER A 23 8.122 2.448 4.228 1.00 0.00 H new ATOM 157 N GLY A 24 4.746 3.885 1.399 1.00 0.00 N ATOM 158 CA GLY A 24 3.871 4.424 0.371 1.00 0.00 C ATOM 159 C GLY A 24 2.395 4.073 0.563 1.00 0.00 C ATOM 160 O GLY A 24 1.553 4.871 0.171 1.00 0.00 O ATOM 0 H GLY A 24 5.569 3.433 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.976 5.509 0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.198 4.054 -0.601 1.00 0.00 H new ATOM 164 N ILE A 25 2.053 2.962 1.215 1.00 0.00 N ATOM 165 CA ILE A 25 0.666 2.529 1.390 1.00 0.00 C ATOM 166 C ILE A 25 0.202 2.709 2.836 1.00 0.00 C ATOM 167 O ILE A 25 -0.979 2.948 3.075 1.00 0.00 O ATOM 168 CB ILE A 25 0.579 1.061 0.957 1.00 0.00 C ATOM 169 CG1 ILE A 25 0.977 0.890 -0.526 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.768 0.397 1.276 1.00 0.00 C ATOM 171 CD1 ILE A 25 0.904 -0.549 -1.029 1.00 0.00 C ATOM 0 H ILE A 25 2.734 2.333 1.639 1.00 0.00 H new ATOM 0 HA ILE A 25 0.004 3.142 0.778 1.00 0.00 H new ATOM 0 HB ILE A 25 1.308 0.525 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.325 1.512 -1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.993 1.260 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.751 -0.640 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.943 0.427 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.568 0.932 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.199 -0.583 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.577 -1.174 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.116 -0.919 -0.926 1.00 0.00 H new ATOM 183 N GLU A 26 1.092 2.558 3.811 1.00 0.00 N ATOM 184 CA GLU A 26 0.757 2.706 5.230 1.00 0.00 C ATOM 185 C GLU A 26 0.100 4.067 5.509 1.00 0.00 C ATOM 186 O GLU A 26 -0.990 4.123 6.087 1.00 0.00 O ATOM 187 CB GLU A 26 2.031 2.449 6.037 1.00 0.00 C ATOM 188 CG GLU A 26 1.850 2.419 7.562 1.00 0.00 C ATOM 189 CD GLU A 26 3.011 1.666 8.235 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.163 1.782 7.745 1.00 0.00 O ATOM 191 OE2 GLU A 26 2.752 0.868 9.163 1.00 0.00 O ATOM 0 H GLU A 26 2.071 2.328 3.642 1.00 0.00 H new ATOM 0 HA GLU A 26 0.007 1.977 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.456 1.497 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.759 3.221 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.799 3.438 7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.905 1.937 7.811 1.00 0.00 H new ATOM 198 N GLU A 27 0.686 5.150 4.985 1.00 0.00 N ATOM 199 CA GLU A 27 0.147 6.508 5.138 1.00 0.00 C ATOM 200 C GLU A 27 -1.185 6.669 4.374 1.00 0.00 C ATOM 201 O GLU A 27 -1.929 7.625 4.611 1.00 0.00 O ATOM 202 CB GLU A 27 1.192 7.547 4.660 1.00 0.00 C ATOM 203 CG GLU A 27 1.240 8.866 5.443 1.00 0.00 C ATOM 204 CD GLU A 27 2.332 9.824 4.930 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.113 10.501 3.900 1.00 0.00 O ATOM 206 OE2 GLU A 27 3.385 9.948 5.608 1.00 0.00 O ATOM 0 H GLU A 27 1.549 5.110 4.442 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.061 6.682 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.179 7.086 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.993 7.777 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.270 9.359 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.417 8.652 6.497 1.00 0.00 H new ATOM 213 N THR A 28 -1.510 5.775 3.430 1.00 0.00 N ATOM 214 CA THR A 28 -2.797 5.731 2.741 1.00 0.00 C ATOM 215 C THR A 28 -3.824 5.046 3.643 1.00 0.00 C ATOM 216 O THR A 28 -4.884 5.620 3.877 1.00 0.00 O ATOM 217 CB THR A 28 -2.674 4.995 1.396 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.546 5.433 0.664 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.906 5.169 0.507 1.00 0.00 C ATOM 0 H THR A 28 -0.866 5.047 3.120 1.00 0.00 H new ATOM 0 HA THR A 28 -3.126 6.748 2.528 1.00 0.00 H new ATOM 0 HB THR A 28 -2.571 3.942 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.496 4.944 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.760 4.627 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.784 4.777 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.054 6.228 0.293 1.00 0.00 H new ATOM 227 N PHE A 29 -3.521 3.858 4.181 1.00 0.00 N ATOM 228 CA PHE A 29 -4.433 3.069 4.997 1.00 0.00 C ATOM 229 C PHE A 29 -5.021 3.919 6.118 1.00 0.00 C ATOM 230 O PHE A 29 -6.228 3.873 6.349 1.00 0.00 O ATOM 231 CB PHE A 29 -3.714 1.811 5.511 1.00 0.00 C ATOM 232 CG PHE A 29 -3.826 0.585 4.612 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.559 0.655 3.231 1.00 0.00 C ATOM 234 CD2 PHE A 29 -4.227 -0.647 5.161 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.734 -0.479 2.416 1.00 0.00 C ATOM 236 CE2 PHE A 29 -4.362 -1.791 4.356 1.00 0.00 C ATOM 237 CZ PHE A 29 -4.126 -1.705 2.976 1.00 0.00 C ATOM 0 H PHE A 29 -2.611 3.414 4.054 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.275 2.735 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.658 2.046 5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.114 1.559 6.493 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.219 1.583 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.435 -0.715 6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.565 -0.405 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.647 -2.734 4.799 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.245 -2.576 2.349 1.00 0.00 H new ATOM 247 N ALA A 30 -4.207 4.750 6.766 1.00 0.00 N ATOM 248 CA ALA A 30 -4.688 5.611 7.833 1.00 0.00 C ATOM 249 C ALA A 30 -5.727 6.650 7.378 1.00 0.00 C ATOM 250 O ALA A 30 -6.628 6.964 8.158 1.00 0.00 O ATOM 251 CB ALA A 30 -3.491 6.270 8.498 1.00 0.00 C ATOM 0 H ALA A 30 -3.211 4.842 6.567 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.223 4.987 8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.834 6.921 9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.834 5.503 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.945 6.860 7.762 1.00 0.00 H new ATOM 257 N GLN A 31 -5.675 7.149 6.135 1.00 0.00 N ATOM 258 CA GLN A 31 -6.682 8.059 5.565 1.00 0.00 C ATOM 259 C GLN A 31 -8.038 7.384 5.360 1.00 0.00 C ATOM 260 O GLN A 31 -9.030 8.065 5.114 1.00 0.00 O ATOM 261 CB GLN A 31 -6.179 8.631 4.223 1.00 0.00 C ATOM 262 CG GLN A 31 -5.890 10.129 4.383 1.00 0.00 C ATOM 263 CD GLN A 31 -5.101 10.776 3.252 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.630 11.548 2.463 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.792 10.572 3.202 1.00 0.00 N ATOM 0 H GLN A 31 -4.920 6.929 5.486 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.826 8.864 6.285 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.277 8.107 3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.927 8.475 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.840 10.654 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.342 10.277 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.351 9.929 3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.226 11.058 2.506 1.00 0.00 H new ATOM 274 N PHE A 32 -8.086 6.060 5.469 1.00 0.00 N ATOM 275 CA PHE A 32 -9.280 5.248 5.316 1.00 0.00 C ATOM 276 C PHE A 32 -9.549 4.440 6.597 1.00 0.00 C ATOM 277 O PHE A 32 -10.377 3.526 6.589 1.00 0.00 O ATOM 278 CB PHE A 32 -9.101 4.392 4.059 1.00 0.00 C ATOM 279 CG PHE A 32 -9.130 5.165 2.761 1.00 0.00 C ATOM 280 CD1 PHE A 32 -10.355 5.357 2.101 1.00 0.00 C ATOM 281 CD2 PHE A 32 -7.939 5.660 2.195 1.00 0.00 C ATOM 282 CE1 PHE A 32 -10.385 5.984 0.846 1.00 0.00 C ATOM 283 CE2 PHE A 32 -7.972 6.304 0.952 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.188 6.445 0.269 1.00 0.00 C ATOM 0 H PHE A 32 -7.256 5.504 5.675 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.171 5.860 5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.152 3.861 4.129 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.887 3.637 4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.274 5.022 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.002 5.543 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.323 6.112 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.061 6.692 0.520 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.206 6.910 -0.706 1.00 0.00 H new ATOM 294 N SER A 33 -8.848 4.764 7.696 1.00 0.00 N ATOM 295 CA SER A 33 -8.967 4.119 9.003 1.00 0.00 C ATOM 296 C SER A 33 -8.692 2.608 8.906 1.00 0.00 C ATOM 297 O SER A 33 -9.281 1.826 9.660 1.00 0.00 O ATOM 298 CB SER A 33 -10.341 4.469 9.614 1.00 0.00 C ATOM 299 OG SER A 33 -10.544 3.807 10.850 1.00 0.00 O ATOM 0 H SER A 33 -8.156 5.514 7.692 1.00 0.00 H new ATOM 0 HA SER A 33 -8.204 4.499 9.682 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.411 5.547 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.132 4.191 8.917 1.00 0.00 H new ATOM 0 HG SER A 33 -10.292 2.864 10.761 1.00 0.00 H new ATOM 305 N ILE A 34 -7.853 2.171 7.964 1.00 0.00 N ATOM 306 CA ILE A 34 -7.701 0.754 7.682 1.00 0.00 C ATOM 307 C ILE A 34 -6.584 0.228 8.585 1.00 0.00 C ATOM 308 O ILE A 34 -5.515 0.852 8.632 1.00 0.00 O ATOM 309 CB ILE A 34 -7.415 0.506 6.182 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.463 1.190 5.286 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.420 -1.004 5.871 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.302 0.926 3.786 1.00 0.00 C ATOM 0 H ILE A 34 -7.273 2.781 7.388 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.625 0.217 7.893 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.433 0.930 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.455 0.858 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.419 2.266 5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.217 -1.158 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.651 -1.500 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.395 -1.423 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.086 1.449 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.327 1.285 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.378 -0.144 3.595 1.00 0.00 H new ATOM 324 N PRO A 35 -6.757 -0.936 9.240 1.00 0.00 N ATOM 325 CA PRO A 35 -5.645 -1.645 9.845 1.00 0.00 C ATOM 326 C PRO A 35 -4.682 -2.032 8.727 1.00 0.00 C ATOM 327 O PRO A 35 -4.945 -2.947 7.936 1.00 0.00 O ATOM 328 CB PRO A 35 -6.244 -2.859 10.558 1.00 0.00 C ATOM 329 CG PRO A 35 -7.540 -3.118 9.788 1.00 0.00 C ATOM 330 CD PRO A 35 -7.978 -1.720 9.362 1.00 0.00 C ATOM 0 HA PRO A 35 -5.087 -1.053 10.570 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.575 -3.719 10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.436 -2.652 11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.375 -3.768 8.928 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.290 -3.602 10.414 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.517 -1.752 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.652 -1.281 10.098 1.00 0.00 H new ATOM 338 N TYR A 36 -3.577 -1.302 8.646 1.00 0.00 N ATOM 339 CA TYR A 36 -2.413 -1.725 7.900 1.00 0.00 C ATOM 340 C TYR A 36 -1.763 -2.828 8.725 1.00 0.00 C ATOM 341 O TYR A 36 -2.018 -2.932 9.923 1.00 0.00 O ATOM 342 CB TYR A 36 -1.485 -0.523 7.704 1.00 0.00 C ATOM 343 CG TYR A 36 -0.281 -0.843 6.852 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.396 -0.928 5.453 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.951 -1.103 7.470 1.00 0.00 C ATOM 346 CE1 TYR A 36 0.732 -1.230 4.677 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.072 -1.439 6.702 1.00 0.00 C ATOM 348 CZ TYR A 36 1.968 -1.518 5.301 1.00 0.00 C ATOM 349 OH TYR A 36 3.049 -1.898 4.571 1.00 0.00 O ATOM 0 H TYR A 36 -3.469 -0.395 9.101 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.656 -2.103 6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.045 0.290 7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.150 -0.166 8.678 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.351 -0.761 4.977 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.035 -1.044 8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.657 -1.243 3.600 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.017 -1.638 7.185 1.00 0.00 H new ATOM 0 HH TYR A 36 3.346 -1.149 4.013 1.00 0.00 H new ATOM 359 N ASP A 37 -0.948 -3.674 8.117 1.00 0.00 N ATOM 360 CA ASP A 37 -0.148 -4.620 8.876 1.00 0.00 C ATOM 361 C ASP A 37 1.098 -4.893 8.059 1.00 0.00 C ATOM 362 O ASP A 37 0.997 -5.461 6.972 1.00 0.00 O ATOM 363 CB ASP A 37 -0.917 -5.915 9.153 1.00 0.00 C ATOM 364 CG ASP A 37 -0.219 -6.768 10.214 1.00 0.00 C ATOM 365 OD1 ASP A 37 1.027 -6.797 10.263 1.00 0.00 O ATOM 366 OD2 ASP A 37 -0.942 -7.453 10.976 1.00 0.00 O ATOM 0 H ASP A 37 -0.823 -3.725 7.106 1.00 0.00 H new ATOM 0 HA ASP A 37 0.107 -4.205 9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.927 -5.675 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.012 -6.487 8.230 1.00 0.00 H new ATOM 371 N LYS A 38 2.254 -4.438 8.533 1.00 0.00 N ATOM 372 CA LYS A 38 3.516 -4.558 7.820 1.00 0.00 C ATOM 373 C LYS A 38 3.749 -6.003 7.404 1.00 0.00 C ATOM 374 O LYS A 38 4.163 -6.222 6.271 1.00 0.00 O ATOM 375 CB LYS A 38 4.632 -4.035 8.739 1.00 0.00 C ATOM 376 CG LYS A 38 6.042 -4.053 8.124 1.00 0.00 C ATOM 377 CD LYS A 38 6.212 -3.269 6.816 1.00 0.00 C ATOM 378 CE LYS A 38 5.745 -1.811 6.923 1.00 0.00 C ATOM 379 NZ LYS A 38 6.828 -0.808 6.822 1.00 0.00 N ATOM 0 H LYS A 38 2.339 -3.970 9.435 1.00 0.00 H new ATOM 0 HA LYS A 38 3.503 -3.966 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.392 -3.013 9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.642 -4.633 9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.743 -3.654 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.325 -5.090 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.261 -3.287 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.651 -3.767 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.015 -1.619 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.231 -1.677 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.425 0.147 6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.515 -0.961 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.306 -0.904 5.903 1.00 0.00 H new ATOM 393 N GLU A 39 3.480 -6.974 8.274 1.00 0.00 N ATOM 394 CA GLU A 39 3.750 -8.375 7.999 1.00 0.00 C ATOM 395 C GLU A 39 2.808 -8.892 6.913 1.00 0.00 C ATOM 396 O GLU A 39 3.262 -9.423 5.897 1.00 0.00 O ATOM 397 CB GLU A 39 3.619 -9.208 9.277 1.00 0.00 C ATOM 398 CG GLU A 39 4.607 -8.775 10.364 1.00 0.00 C ATOM 399 CD GLU A 39 4.553 -9.705 11.576 1.00 0.00 C ATOM 400 OE1 GLU A 39 4.775 -10.930 11.422 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.277 -9.214 12.696 1.00 0.00 O ATOM 0 H GLU A 39 3.067 -6.806 9.191 1.00 0.00 H new ATOM 0 HA GLU A 39 4.774 -8.469 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.602 -9.122 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.783 -10.259 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.618 -8.767 9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.381 -7.755 10.677 1.00 0.00 H new ATOM 408 N LYS A 40 1.490 -8.734 7.092 1.00 0.00 N ATOM 409 CA LYS A 40 0.518 -9.207 6.109 1.00 0.00 C ATOM 410 C LYS A 40 0.706 -8.548 4.754 1.00 0.00 C ATOM 411 O LYS A 40 0.431 -9.164 3.726 1.00 0.00 O ATOM 412 CB LYS A 40 -0.911 -8.926 6.567 1.00 0.00 C ATOM 413 CG LYS A 40 -1.210 -9.367 7.998 1.00 0.00 C ATOM 414 CD LYS A 40 -2.640 -9.824 8.223 1.00 0.00 C ATOM 415 CE LYS A 40 -3.706 -8.882 7.645 1.00 0.00 C ATOM 416 NZ LYS A 40 -4.275 -9.382 6.373 1.00 0.00 N ATOM 0 H LYS A 40 1.077 -8.283 7.908 1.00 0.00 H new ATOM 0 HA LYS A 40 0.685 -10.280 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.104 -7.857 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.602 -9.430 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.535 -10.180 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.994 -8.539 8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.767 -10.812 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.810 -9.931 9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.507 -8.755 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.266 -7.898 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.359 -8.596 5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.650 -10.113 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.216 -9.789 6.550 1.00 0.00 H new ATOM 430 N VAL A 41 1.120 -7.284 4.742 1.00 0.00 N ATOM 431 CA VAL A 41 1.281 -6.533 3.518 1.00 0.00 C ATOM 432 C VAL A 41 2.601 -6.924 2.838 1.00 0.00 C ATOM 433 O VAL A 41 2.577 -7.137 1.630 1.00 0.00 O ATOM 434 CB VAL A 41 1.104 -5.035 3.814 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.409 -4.220 2.569 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.343 -4.707 4.230 1.00 0.00 C ATOM 0 H VAL A 41 1.351 -6.759 5.585 1.00 0.00 H new ATOM 0 HA VAL A 41 0.508 -6.777 2.789 1.00 0.00 H new ATOM 0 HB VAL A 41 1.787 -4.788 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.281 -3.160 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.437 -4.405 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.728 -4.510 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.431 -3.639 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.024 -4.981 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.599 -5.268 5.129 1.00 0.00 H new ATOM 446 N ARG A 42 3.710 -7.084 3.575 1.00 0.00 N ATOM 447 CA ARG A 42 4.972 -7.671 3.091 1.00 0.00 C ATOM 448 C ARG A 42 4.712 -8.997 2.374 1.00 0.00 C ATOM 449 O ARG A 42 5.155 -9.206 1.248 1.00 0.00 O ATOM 450 CB ARG A 42 5.933 -7.927 4.268 1.00 0.00 C ATOM 451 CG ARG A 42 6.844 -6.764 4.661 1.00 0.00 C ATOM 452 CD ARG A 42 7.686 -7.126 5.903 1.00 0.00 C ATOM 453 NE ARG A 42 9.018 -6.486 5.886 1.00 0.00 N ATOM 454 CZ ARG A 42 9.987 -6.772 5.006 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.872 -7.820 4.194 1.00 0.00 N ATOM 456 NH2 ARG A 42 11.072 -6.008 4.939 1.00 0.00 N ATOM 0 H ARG A 42 3.757 -6.801 4.554 1.00 0.00 H new ATOM 0 HA ARG A 42 5.421 -6.963 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.341 -8.208 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.559 -8.784 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.503 -6.514 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.243 -5.879 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.151 -6.822 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.806 -8.208 5.954 1.00 0.00 H new ATOM 0 HE ARG A 42 9.213 -5.777 6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.042 -8.411 4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.614 -8.032 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.168 -5.203 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.809 -6.227 4.269 1.00 0.00 H new ATOM 470 N GLU A 43 3.979 -9.881 3.044 1.00 0.00 N ATOM 471 CA GLU A 43 3.551 -11.189 2.536 1.00 0.00 C ATOM 472 C GLU A 43 2.792 -10.987 1.212 1.00 0.00 C ATOM 473 O GLU A 43 3.150 -11.556 0.182 1.00 0.00 O ATOM 474 CB GLU A 43 2.697 -11.895 3.614 1.00 0.00 C ATOM 475 CG GLU A 43 2.205 -13.310 3.253 1.00 0.00 C ATOM 476 CD GLU A 43 3.194 -14.425 3.603 1.00 0.00 C ATOM 477 OE1 GLU A 43 4.424 -14.245 3.472 1.00 0.00 O ATOM 478 OE2 GLU A 43 2.741 -15.533 3.985 1.00 0.00 O ATOM 0 H GLU A 43 3.652 -9.703 3.994 1.00 0.00 H new ATOM 0 HA GLU A 43 4.406 -11.832 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.281 -11.956 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.829 -11.272 3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.264 -13.498 3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.995 -13.348 2.184 1.00 0.00 H new ATOM 485 N PHE A 44 1.747 -10.155 1.224 1.00 0.00 N ATOM 486 CA PHE A 44 0.895 -9.874 0.073 1.00 0.00 C ATOM 487 C PHE A 44 1.715 -9.415 -1.137 1.00 0.00 C ATOM 488 O PHE A 44 1.624 -10.019 -2.205 1.00 0.00 O ATOM 489 CB PHE A 44 -0.152 -8.824 0.485 1.00 0.00 C ATOM 490 CG PHE A 44 -1.305 -8.657 -0.476 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.090 -8.183 -1.784 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.612 -8.971 -0.055 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.157 -8.101 -2.679 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.684 -8.876 -0.957 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.437 -8.476 -2.278 1.00 0.00 C ATOM 0 H PHE A 44 1.465 -9.645 2.061 1.00 0.00 H new ATOM 0 HA PHE A 44 0.387 -10.788 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.551 -9.095 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.347 -7.862 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.100 -7.883 -2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.790 -9.285 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.990 -7.746 -3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.689 -9.109 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.247 -8.459 -2.992 1.00 0.00 H new ATOM 505 N ILE A 45 2.505 -8.347 -1.001 1.00 0.00 N ATOM 506 CA ILE A 45 3.298 -7.775 -2.096 1.00 0.00 C ATOM 507 C ILE A 45 4.305 -8.790 -2.682 1.00 0.00 C ATOM 508 O ILE A 45 4.755 -8.609 -3.814 1.00 0.00 O ATOM 509 CB ILE A 45 3.997 -6.463 -1.656 1.00 0.00 C ATOM 510 CG1 ILE A 45 5.089 -6.668 -0.588 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.970 -5.411 -1.189 1.00 0.00 C ATOM 512 CD1 ILE A 45 6.095 -5.519 -0.499 1.00 0.00 C ATOM 0 H ILE A 45 2.614 -7.848 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 45 2.604 -7.528 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 45 4.507 -6.092 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.613 -6.797 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.626 -7.592 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.491 -4.503 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.286 -5.182 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.406 -5.804 -0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.831 -5.739 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.601 -5.403 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.572 -4.596 -0.251 1.00 0.00 H new ATOM 524 N PHE A 46 4.649 -9.867 -1.966 1.00 0.00 N ATOM 525 CA PHE A 46 5.520 -10.942 -2.452 1.00 0.00 C ATOM 526 C PHE A 46 4.778 -12.009 -3.264 1.00 0.00 C ATOM 527 O PHE A 46 5.415 -12.889 -3.852 1.00 0.00 O ATOM 528 CB PHE A 46 6.223 -11.592 -1.252 1.00 0.00 C ATOM 529 CG PHE A 46 7.679 -11.195 -1.135 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.029 -9.834 -1.080 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.687 -12.177 -1.159 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.379 -9.453 -1.085 1.00 0.00 C ATOM 533 CE2 PHE A 46 10.039 -11.796 -1.174 1.00 0.00 C ATOM 534 CZ PHE A 46 10.383 -10.434 -1.155 1.00 0.00 C ATOM 0 H PHE A 46 4.322 -10.018 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 46 6.243 -10.491 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.701 -11.313 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.153 -12.676 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.257 -9.080 -1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.421 -13.224 -1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.646 -8.408 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.813 -12.549 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.421 -10.140 -1.194 1.00 0.00 H new ATOM 544 N LYS A 47 3.448 -11.955 -3.292 1.00 0.00 N ATOM 545 CA LYS A 47 2.571 -12.866 -4.021 1.00 0.00 C ATOM 546 C LYS A 47 1.807 -12.149 -5.123 1.00 0.00 C ATOM 547 O LYS A 47 1.401 -12.783 -6.101 1.00 0.00 O ATOM 548 CB LYS A 47 1.541 -13.431 -3.043 1.00 0.00 C ATOM 549 CG LYS A 47 2.093 -14.582 -2.207 1.00 0.00 C ATOM 550 CD LYS A 47 0.986 -15.186 -1.343 1.00 0.00 C ATOM 551 CE LYS A 47 -0.046 -15.938 -2.202 1.00 0.00 C ATOM 552 NZ LYS A 47 -0.227 -17.335 -1.770 1.00 0.00 N ATOM 0 H LYS A 47 2.929 -11.240 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 47 3.189 -13.646 -4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.201 -12.636 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.669 -13.776 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.512 -15.347 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.904 -14.224 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.422 -15.869 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.488 -14.396 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.003 -15.419 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.272 -15.921 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.931 -17.798 -2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.679 -17.841 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.557 -17.353 -0.784 1.00 0.00 H new ATOM 566 N TYR A 48 1.557 -10.859 -4.944 1.00 0.00 N ATOM 567 CA TYR A 48 0.694 -10.050 -5.787 1.00 0.00 C ATOM 568 C TYR A 48 1.280 -8.648 -5.892 1.00 0.00 C ATOM 569 O TYR A 48 2.299 -8.333 -5.277 1.00 0.00 O ATOM 570 CB TYR A 48 -0.712 -9.972 -5.191 1.00 0.00 C ATOM 571 CG TYR A 48 -1.328 -11.283 -4.766 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.988 -12.091 -5.705 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.236 -11.687 -3.424 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.528 -13.321 -5.304 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.757 -12.923 -3.018 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.409 -13.747 -3.961 1.00 0.00 C ATOM 577 OH TYR A 48 -2.909 -14.951 -3.580 1.00 0.00 O ATOM 0 H TYR A 48 1.968 -10.328 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 48 0.629 -10.505 -6.776 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.681 -9.311 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.370 -9.506 -5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.079 -11.767 -6.731 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.761 -11.041 -2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.037 -13.945 -6.023 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.660 -13.243 -1.991 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.875 -15.573 -4.336 1.00 0.00 H new ATOM 587 N SER A 49 0.627 -7.778 -6.651 1.00 0.00 N ATOM 588 CA SER A 49 1.095 -6.426 -6.878 1.00 0.00 C ATOM 589 C SER A 49 0.411 -5.454 -5.934 1.00 0.00 C ATOM 590 O SER A 49 -0.594 -5.775 -5.294 1.00 0.00 O ATOM 591 CB SER A 49 0.926 -6.062 -8.352 1.00 0.00 C ATOM 592 OG SER A 49 2.205 -6.134 -8.947 1.00 0.00 O ATOM 0 H SER A 49 -0.248 -7.997 -7.128 1.00 0.00 H new ATOM 0 HA SER A 49 2.160 -6.360 -6.654 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.234 -6.748 -8.841 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.509 -5.060 -8.456 1.00 0.00 H new ATOM 0 HG SER A 49 2.137 -5.908 -9.898 1.00 0.00 H new ATOM 598 N VAL A 50 0.969 -4.250 -5.855 1.00 0.00 N ATOM 599 CA VAL A 50 0.458 -3.165 -5.036 1.00 0.00 C ATOM 600 C VAL A 50 -0.985 -2.860 -5.441 1.00 0.00 C ATOM 601 O VAL A 50 -1.863 -2.800 -4.579 1.00 0.00 O ATOM 602 CB VAL A 50 1.428 -1.979 -5.156 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.786 -0.696 -4.619 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.721 -2.328 -4.395 1.00 0.00 C ATOM 0 H VAL A 50 1.811 -3.999 -6.374 1.00 0.00 H new ATOM 0 HA VAL A 50 0.412 -3.426 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 50 1.667 -1.796 -6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.490 0.130 -4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.115 -0.473 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.525 -0.832 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.422 -1.497 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.487 -2.513 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.169 -3.221 -4.830 1.00 0.00 H new ATOM 614 N GLN A 51 -1.251 -2.753 -6.747 1.00 0.00 N ATOM 615 CA GLN A 51 -2.598 -2.519 -7.230 1.00 0.00 C ATOM 616 C GLN A 51 -3.542 -3.641 -6.808 1.00 0.00 C ATOM 617 O GLN A 51 -4.698 -3.362 -6.529 1.00 0.00 O ATOM 618 CB GLN A 51 -2.570 -2.355 -8.751 1.00 0.00 C ATOM 619 CG GLN A 51 -3.928 -1.922 -9.328 1.00 0.00 C ATOM 620 CD GLN A 51 -4.599 -3.052 -10.089 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.599 -3.052 -11.315 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.167 -4.030 -9.413 1.00 0.00 N ATOM 0 H GLN A 51 -0.546 -2.826 -7.481 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.980 -1.601 -6.783 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.814 -1.616 -9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.270 -3.298 -9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.579 -1.591 -8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.786 -1.069 -9.992 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.159 -4.017 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.614 -4.800 -9.910 1.00 0.00 H new ATOM 631 N ASP A 52 -3.095 -4.898 -6.772 1.00 0.00 N ATOM 632 CA ASP A 52 -3.942 -6.009 -6.326 1.00 0.00 C ATOM 633 C ASP A 52 -4.352 -5.786 -4.875 1.00 0.00 C ATOM 634 O ASP A 52 -5.547 -5.772 -4.621 1.00 0.00 O ATOM 635 CB ASP A 52 -3.294 -7.380 -6.561 1.00 0.00 C ATOM 636 CG ASP A 52 -4.242 -8.545 -6.226 1.00 0.00 C ATOM 637 OD1 ASP A 52 -5.225 -8.776 -6.968 1.00 0.00 O ATOM 638 OD2 ASP A 52 -3.969 -9.248 -5.235 1.00 0.00 O ATOM 0 H ASP A 52 -2.152 -5.173 -7.046 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.845 -6.022 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.983 -7.457 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.394 -7.462 -5.952 1.00 0.00 H new ATOM 643 N LEU A 53 -3.437 -5.473 -3.941 1.00 0.00 N ATOM 644 CA LEU A 53 -3.811 -5.153 -2.554 1.00 0.00 C ATOM 645 C LEU A 53 -4.877 -4.071 -2.504 1.00 0.00 C ATOM 646 O LEU A 53 -5.849 -4.208 -1.763 1.00 0.00 O ATOM 647 CB LEU A 53 -2.581 -4.712 -1.737 1.00 0.00 C ATOM 648 CG LEU A 53 -2.880 -4.143 -0.331 1.00 0.00 C ATOM 649 CD1 LEU A 53 -3.444 -5.217 0.607 1.00 0.00 C ATOM 650 CD2 LEU A 53 -1.576 -3.601 0.270 1.00 0.00 C ATOM 0 H LEU A 53 -2.434 -5.435 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.219 -6.062 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.914 -5.567 -1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.041 -3.957 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.625 -3.354 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.641 -4.779 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.372 -5.611 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.720 -6.026 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.773 -3.196 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.847 -4.408 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.180 -2.813 -0.371 1.00 0.00 H new ATOM 662 N LEU A 54 -4.658 -2.989 -3.249 1.00 0.00 N ATOM 663 CA LEU A 54 -5.520 -1.823 -3.193 1.00 0.00 C ATOM 664 C LEU A 54 -6.873 -2.106 -3.857 1.00 0.00 C ATOM 665 O LEU A 54 -7.849 -1.470 -3.478 1.00 0.00 O ATOM 666 CB LEU A 54 -4.779 -0.592 -3.756 1.00 0.00 C ATOM 667 CG LEU A 54 -3.487 -0.237 -2.974 1.00 0.00 C ATOM 668 CD1 LEU A 54 -2.665 0.855 -3.673 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.761 0.218 -1.535 1.00 0.00 C ATOM 0 H LEU A 54 -3.881 -2.902 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.758 -1.587 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.524 -0.777 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.451 0.266 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.919 -1.167 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.771 1.068 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.375 0.512 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.265 1.761 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.818 0.452 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.393 1.106 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.267 -0.580 -0.991 1.00 0.00 H new ATOM 681 N VAL A 55 -6.980 -3.070 -4.780 1.00 0.00 N ATOM 682 CA VAL A 55 -8.270 -3.622 -5.190 1.00 0.00 C ATOM 683 C VAL A 55 -8.858 -4.407 -4.019 1.00 0.00 C ATOM 684 O VAL A 55 -9.963 -4.088 -3.590 1.00 0.00 O ATOM 685 CB VAL A 55 -8.156 -4.479 -6.469 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.464 -5.212 -6.799 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.830 -3.612 -7.687 1.00 0.00 C ATOM 0 H VAL A 55 -6.180 -3.484 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.945 -2.806 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.362 -5.197 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.332 -5.801 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.729 -5.873 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.261 -4.484 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.756 -4.243 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.620 -2.875 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.881 -3.100 -7.526 1.00 0.00 H new ATOM 697 N ARG A 56 -8.151 -5.426 -3.504 1.00 0.00 N ATOM 698 CA ARG A 56 -8.705 -6.378 -2.535 1.00 0.00 C ATOM 699 C ARG A 56 -9.382 -5.662 -1.392 1.00 0.00 C ATOM 700 O ARG A 56 -10.518 -5.977 -1.061 1.00 0.00 O ATOM 701 CB ARG A 56 -7.645 -7.317 -1.932 1.00 0.00 C ATOM 702 CG ARG A 56 -6.896 -8.231 -2.900 1.00 0.00 C ATOM 703 CD ARG A 56 -7.771 -8.891 -3.951 1.00 0.00 C ATOM 704 NE ARG A 56 -8.718 -9.820 -3.324 1.00 0.00 N ATOM 705 CZ ARG A 56 -9.637 -10.525 -3.982 1.00 0.00 C ATOM 706 NH1 ARG A 56 -9.711 -10.488 -5.304 1.00 0.00 N ATOM 707 NH2 ARG A 56 -10.492 -11.254 -3.284 1.00 0.00 N ATOM 0 H ARG A 56 -7.178 -5.611 -3.750 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.421 -6.973 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.911 -6.706 -1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.133 -7.943 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.122 -7.650 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.390 -9.008 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.316 -8.130 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.148 -9.427 -4.667 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.669 -9.934 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.057 -9.913 -5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.421 -11.035 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.438 -11.267 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.205 -11.803 -3.764 1.00 0.00 H new ATOM 721 N VAL A 57 -8.672 -4.727 -0.771 1.00 0.00 N ATOM 722 CA VAL A 57 -9.180 -4.058 0.417 1.00 0.00 C ATOM 723 C VAL A 57 -10.378 -3.173 0.082 1.00 0.00 C ATOM 724 O VAL A 57 -11.336 -3.154 0.842 1.00 0.00 O ATOM 725 CB VAL A 57 -8.043 -3.321 1.133 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.424 -2.167 0.345 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.487 -2.835 2.516 1.00 0.00 C ATOM 0 H VAL A 57 -7.747 -4.417 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.558 -4.800 1.120 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.254 -4.066 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.630 -1.709 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.010 -2.545 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.190 -1.423 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.661 -2.316 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.331 -2.154 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.786 -3.689 3.123 1.00 0.00 H new ATOM 737 N ALA A 58 -10.348 -2.458 -1.041 1.00 0.00 N ATOM 738 CA ALA A 58 -11.474 -1.657 -1.501 1.00 0.00 C ATOM 739 C ALA A 58 -12.713 -2.517 -1.771 1.00 0.00 C ATOM 740 O ALA A 58 -13.825 -2.085 -1.475 1.00 0.00 O ATOM 741 CB ALA A 58 -11.076 -0.863 -2.752 1.00 0.00 C ATOM 0 H ALA A 58 -9.537 -2.420 -1.658 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.737 -0.959 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.924 -0.267 -3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.241 -0.204 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.780 -1.553 -3.542 1.00 0.00 H new ATOM 747 N GLU A 59 -12.523 -3.706 -2.342 1.00 0.00 N ATOM 748 CA GLU A 59 -13.573 -4.672 -2.634 1.00 0.00 C ATOM 749 C GLU A 59 -14.143 -5.253 -1.328 1.00 0.00 C ATOM 750 O GLU A 59 -15.352 -5.428 -1.182 1.00 0.00 O ATOM 751 CB GLU A 59 -12.971 -5.772 -3.523 1.00 0.00 C ATOM 752 CG GLU A 59 -14.017 -6.535 -4.339 1.00 0.00 C ATOM 753 CD GLU A 59 -14.122 -5.999 -5.769 1.00 0.00 C ATOM 754 OE1 GLU A 59 -13.270 -6.383 -6.613 1.00 0.00 O ATOM 755 OE2 GLU A 59 -15.056 -5.221 -6.059 1.00 0.00 O ATOM 0 H GLU A 59 -11.598 -4.032 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.400 -4.193 -3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.247 -5.323 -4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.425 -6.477 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.757 -7.593 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.988 -6.458 -3.849 1.00 0.00 H new ATOM 762 N ASP A 60 -13.254 -5.565 -0.380 1.00 0.00 N ATOM 763 CA ASP A 60 -13.565 -6.123 0.938 1.00 0.00 C ATOM 764 C ASP A 60 -14.322 -5.118 1.810 1.00 0.00 C ATOM 765 O ASP A 60 -15.123 -5.486 2.674 1.00 0.00 O ATOM 766 CB ASP A 60 -12.252 -6.472 1.659 1.00 0.00 C ATOM 767 CG ASP A 60 -12.475 -7.426 2.832 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.003 -8.541 2.639 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.073 -7.091 3.974 1.00 0.00 O ATOM 0 H ASP A 60 -12.253 -5.429 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.187 -7.005 0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.559 -6.926 0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.784 -5.557 2.021 1.00 0.00 H new ATOM 774 N ARG A 61 -14.013 -3.838 1.606 1.00 0.00 N ATOM 775 CA ARG A 61 -14.578 -2.673 2.281 1.00 0.00 C ATOM 776 C ARG A 61 -15.623 -2.029 1.365 1.00 0.00 C ATOM 777 O ARG A 61 -16.057 -2.622 0.384 1.00 0.00 O ATOM 778 CB ARG A 61 -13.442 -1.695 2.656 1.00 0.00 C ATOM 779 CG ARG A 61 -12.397 -2.285 3.619 1.00 0.00 C ATOM 780 CD ARG A 61 -12.855 -2.159 5.075 1.00 0.00 C ATOM 781 NE ARG A 61 -12.104 -3.044 5.978 1.00 0.00 N ATOM 782 CZ ARG A 61 -12.206 -4.376 6.062 1.00 0.00 C ATOM 783 NH1 ARG A 61 -13.142 -5.035 5.394 1.00 0.00 N ATOM 784 NH2 ARG A 61 -11.348 -5.051 6.814 1.00 0.00 N ATOM 0 H ARG A 61 -13.311 -3.570 0.916 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.076 -2.962 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.939 -1.373 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.878 -0.806 3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.227 -3.334 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.445 -1.770 3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.737 -1.126 5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.917 -2.394 5.140 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.436 -2.596 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.800 -4.527 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.204 -6.050 5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.617 -4.555 7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.419 -6.066 6.883 1.00 0.00 H new ATOM 798 N ASN A 62 -16.045 -0.807 1.683 1.00 0.00 N ATOM 799 CA ASN A 62 -17.039 -0.053 0.922 1.00 0.00 C ATOM 800 C ASN A 62 -16.390 1.152 0.246 1.00 0.00 C ATOM 801 O ASN A 62 -16.879 2.281 0.343 1.00 0.00 O ATOM 802 CB ASN A 62 -18.209 0.268 1.815 1.00 0.00 C ATOM 803 CG ASN A 62 -19.508 0.381 1.039 1.00 0.00 C ATOM 804 OD1 ASN A 62 -20.363 -0.489 1.159 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.680 1.414 0.238 1.00 0.00 N ATOM 0 H ASN A 62 -15.697 -0.301 2.497 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.441 -0.648 0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.308 -0.508 2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.018 1.205 2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.541 1.504 -0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.952 2.124 0.157 1.00 0.00 H new ATOM 812 N LEU A 63 -15.211 0.904 -0.321 1.00 0.00 N ATOM 813 CA LEU A 63 -14.237 1.893 -0.796 1.00 0.00 C ATOM 814 C LEU A 63 -13.919 1.664 -2.282 1.00 0.00 C ATOM 815 O LEU A 63 -14.487 0.759 -2.890 1.00 0.00 O ATOM 816 CB LEU A 63 -12.961 1.828 0.067 1.00 0.00 C ATOM 817 CG LEU A 63 -13.172 1.904 1.595 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.854 1.683 2.351 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.769 3.253 2.002 1.00 0.00 C ATOM 0 H LEU A 63 -14.887 -0.051 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.664 2.891 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.439 0.899 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.303 2.645 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.870 1.110 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.036 1.742 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.454 0.700 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.136 2.450 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.907 3.279 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.094 4.055 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.732 3.388 1.510 1.00 0.00 H new ATOM 831 N ASP A 64 -13.015 2.448 -2.885 1.00 0.00 N ATOM 832 CA ASP A 64 -12.694 2.364 -4.316 1.00 0.00 C ATOM 833 C ASP A 64 -11.171 2.424 -4.481 1.00 0.00 C ATOM 834 O ASP A 64 -10.494 3.203 -3.800 1.00 0.00 O ATOM 835 CB ASP A 64 -13.350 3.493 -5.141 1.00 0.00 C ATOM 836 CG ASP A 64 -14.717 3.994 -4.659 1.00 0.00 C ATOM 837 OD1 ASP A 64 -14.743 4.914 -3.806 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.765 3.489 -5.126 1.00 0.00 O ATOM 0 H ASP A 64 -12.482 3.163 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.092 1.423 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.665 4.341 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.458 3.145 -6.168 1.00 0.00 H new ATOM 843 N VAL A 65 -10.611 1.623 -5.390 1.00 0.00 N ATOM 844 CA VAL A 65 -9.166 1.546 -5.636 1.00 0.00 C ATOM 845 C VAL A 65 -8.638 2.785 -6.368 1.00 0.00 C ATOM 846 O VAL A 65 -7.456 3.124 -6.271 1.00 0.00 O ATOM 847 CB VAL A 65 -8.808 0.227 -6.349 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.581 0.062 -7.657 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.303 0.101 -6.618 1.00 0.00 C ATOM 0 H VAL A 65 -11.155 0.999 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.657 1.540 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.100 -0.571 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.301 -0.880 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.651 0.059 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.343 0.888 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.101 -0.844 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.976 0.926 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.761 0.132 -5.673 1.00 0.00 H new ATOM 859 N GLU A 66 -9.486 3.475 -7.115 1.00 0.00 N ATOM 860 CA GLU A 66 -9.171 4.742 -7.751 1.00 0.00 C ATOM 861 C GLU A 66 -8.889 5.814 -6.702 1.00 0.00 C ATOM 862 O GLU A 66 -7.883 6.514 -6.813 1.00 0.00 O ATOM 863 CB GLU A 66 -10.232 5.145 -8.782 1.00 0.00 C ATOM 864 CG GLU A 66 -11.702 4.849 -8.453 1.00 0.00 C ATOM 865 CD GLU A 66 -12.479 4.476 -9.712 1.00 0.00 C ATOM 866 OE1 GLU A 66 -12.436 5.240 -10.703 1.00 0.00 O ATOM 867 OE2 GLU A 66 -13.131 3.408 -9.732 1.00 0.00 O ATOM 0 H GLU A 66 -10.438 3.159 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.252 4.624 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.138 6.217 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.992 4.646 -9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.760 4.035 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.157 5.722 -7.986 1.00 0.00 H new ATOM 874 N VAL A 67 -9.675 5.890 -5.628 1.00 0.00 N ATOM 875 CA VAL A 67 -9.395 6.861 -4.576 1.00 0.00 C ATOM 876 C VAL A 67 -8.076 6.486 -3.887 1.00 0.00 C ATOM 877 O VAL A 67 -7.274 7.356 -3.556 1.00 0.00 O ATOM 878 CB VAL A 67 -10.554 6.961 -3.568 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.363 8.222 -2.713 1.00 0.00 C ATOM 880 CG2 VAL A 67 -11.944 7.042 -4.218 1.00 0.00 C ATOM 0 H VAL A 67 -10.494 5.303 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.295 7.850 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.523 6.045 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.179 8.302 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.415 8.159 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.359 9.101 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.706 7.110 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.996 7.924 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.117 6.149 -4.819 1.00 0.00 H new ATOM 890 N LEU A 68 -7.806 5.188 -3.714 1.00 0.00 N ATOM 891 CA LEU A 68 -6.544 4.722 -3.147 1.00 0.00 C ATOM 892 C LEU A 68 -5.351 5.127 -3.992 1.00 0.00 C ATOM 893 O LEU A 68 -4.323 5.489 -3.428 1.00 0.00 O ATOM 894 CB LEU A 68 -6.544 3.200 -2.972 1.00 0.00 C ATOM 895 CG LEU A 68 -7.460 2.771 -1.822 1.00 0.00 C ATOM 896 CD1 LEU A 68 -7.615 1.253 -1.756 1.00 0.00 C ATOM 897 CD2 LEU A 68 -6.895 3.270 -0.490 1.00 0.00 C ATOM 0 H LEU A 68 -8.453 4.439 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.452 5.200 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.872 2.726 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.528 2.854 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.440 3.210 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.272 0.990 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.045 0.890 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.638 0.794 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.552 2.961 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.902 2.847 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.827 4.358 -0.508 1.00 0.00 H new ATOM 909 N ASN A 69 -5.476 5.078 -5.319 1.00 0.00 N ATOM 910 CA ASN A 69 -4.420 5.522 -6.223 1.00 0.00 C ATOM 911 C ASN A 69 -4.133 6.994 -5.947 1.00 0.00 C ATOM 912 O ASN A 69 -2.984 7.383 -5.761 1.00 0.00 O ATOM 913 CB ASN A 69 -4.836 5.343 -7.691 1.00 0.00 C ATOM 914 CG ASN A 69 -4.500 3.973 -8.235 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.346 3.676 -8.537 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.489 3.097 -8.392 1.00 0.00 N ATOM 0 H ASN A 69 -6.309 4.731 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.528 4.920 -6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.909 5.511 -7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.341 6.101 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.293 2.169 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.443 3.354 -8.138 1.00 0.00 H new ATOM 923 N GLN A 70 -5.195 7.798 -5.889 1.00 0.00 N ATOM 924 CA GLN A 70 -5.139 9.229 -5.650 1.00 0.00 C ATOM 925 C GLN A 70 -4.479 9.532 -4.299 1.00 0.00 C ATOM 926 O GLN A 70 -3.500 10.280 -4.263 1.00 0.00 O ATOM 927 CB GLN A 70 -6.560 9.810 -5.767 1.00 0.00 C ATOM 928 CG GLN A 70 -6.846 10.502 -7.111 1.00 0.00 C ATOM 929 CD GLN A 70 -6.502 9.727 -8.387 1.00 0.00 C ATOM 930 OE1 GLN A 70 -5.925 10.303 -9.303 1.00 0.00 O ATOM 931 NE2 GLN A 70 -6.892 8.475 -8.531 1.00 0.00 N ATOM 0 H GLN A 70 -6.147 7.453 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.515 9.712 -6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.283 9.007 -5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.716 10.527 -4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.907 10.751 -7.143 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.297 11.443 -7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.372 7.999 -7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.714 7.983 -9.406 1.00 0.00 H new ATOM 940 N VAL A 71 -4.973 8.987 -3.182 1.00 0.00 N ATOM 941 CA VAL A 71 -4.380 9.229 -1.865 1.00 0.00 C ATOM 942 C VAL A 71 -2.921 8.750 -1.843 1.00 0.00 C ATOM 943 O VAL A 71 -2.058 9.475 -1.349 1.00 0.00 O ATOM 944 CB VAL A 71 -5.244 8.621 -0.741 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.547 8.807 0.609 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.610 9.311 -0.609 1.00 0.00 C ATOM 0 H VAL A 71 -5.787 8.372 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.362 10.302 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.381 7.571 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.162 8.376 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.578 8.308 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.404 9.870 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.177 8.844 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.464 10.368 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.160 9.212 -1.545 1.00 0.00 H new ATOM 956 N ARG A 72 -2.605 7.584 -2.420 1.00 0.00 N ATOM 957 CA ARG A 72 -1.222 7.131 -2.504 1.00 0.00 C ATOM 958 C ARG A 72 -0.337 8.148 -3.224 1.00 0.00 C ATOM 959 O ARG A 72 0.830 8.291 -2.864 1.00 0.00 O ATOM 960 CB ARG A 72 -1.180 5.761 -3.193 1.00 0.00 C ATOM 961 CG ARG A 72 0.166 5.075 -2.960 1.00 0.00 C ATOM 962 CD ARG A 72 0.172 3.634 -3.477 1.00 0.00 C ATOM 963 NE ARG A 72 0.968 3.489 -4.705 1.00 0.00 N ATOM 964 CZ ARG A 72 0.505 3.521 -5.957 1.00 0.00 C ATOM 965 NH1 ARG A 72 -0.786 3.730 -6.214 1.00 0.00 N ATOM 966 NH2 ARG A 72 1.345 3.327 -6.966 1.00 0.00 N ATOM 0 H ARG A 72 -3.286 6.946 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.822 7.034 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.984 5.132 -2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.351 5.882 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.953 5.642 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.395 5.079 -1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.572 2.975 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.852 3.314 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 72 1.972 3.350 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.443 3.870 -5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.117 3.750 -7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.333 3.156 -6.781 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.002 3.349 -7.926 1.00 0.00 H new ATOM 980 N ALA A 73 -0.868 8.853 -4.230 1.00 0.00 N ATOM 981 CA ALA A 73 -0.068 9.772 -5.021 1.00 0.00 C ATOM 982 C ALA A 73 0.393 10.955 -4.170 1.00 0.00 C ATOM 983 O ALA A 73 1.540 11.382 -4.282 1.00 0.00 O ATOM 984 CB ALA A 73 -0.863 10.258 -6.235 1.00 0.00 C ATOM 0 H ALA A 73 -1.848 8.799 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 73 0.817 9.244 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.251 10.946 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.140 9.405 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.764 10.770 -5.898 1.00 0.00 H new ATOM 990 N GLN A 74 -0.498 11.475 -3.321 1.00 0.00 N ATOM 991 CA GLN A 74 -0.316 12.708 -2.564 1.00 0.00 C ATOM 992 C GLN A 74 0.351 12.483 -1.202 1.00 0.00 C ATOM 993 O GLN A 74 0.323 13.362 -0.338 1.00 0.00 O ATOM 994 CB GLN A 74 -1.660 13.447 -2.486 1.00 0.00 C ATOM 995 CG GLN A 74 -2.792 12.773 -1.716 1.00 0.00 C ATOM 996 CD GLN A 74 -4.140 13.275 -2.230 1.00 0.00 C ATOM 997 OE1 GLN A 74 -4.652 14.316 -1.820 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.719 12.564 -3.180 1.00 0.00 N ATOM 0 H GLN A 74 -1.397 11.030 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 74 0.392 13.348 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.481 14.423 -2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.005 13.625 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.729 11.691 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.697 12.986 -0.651 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.283 11.703 -3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.602 12.876 -3.584 1.00 0.00 H new ATOM 1007 N SER A 75 0.938 11.310 -0.983 1.00 0.00 N ATOM 1008 CA SER A 75 1.671 10.987 0.227 1.00 0.00 C ATOM 1009 C SER A 75 2.911 11.873 0.390 1.00 0.00 C ATOM 1010 O SER A 75 3.576 12.227 -0.587 1.00 0.00 O ATOM 1011 CB SER A 75 2.021 9.498 0.154 1.00 0.00 C ATOM 1012 OG SER A 75 2.846 9.130 1.226 1.00 0.00 O ATOM 0 H SER A 75 0.914 10.545 -1.658 1.00 0.00 H new ATOM 0 HA SER A 75 1.064 11.183 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.108 8.903 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.524 9.283 -0.789 1.00 0.00 H new ATOM 0 HG SER A 75 2.502 9.525 2.054 1.00 0.00 H new ATOM 1018 N LEU A 76 3.268 12.202 1.638 1.00 0.00 N ATOM 1019 CA LEU A 76 4.592 12.726 1.947 1.00 0.00 C ATOM 1020 C LEU A 76 5.617 11.609 1.837 1.00 0.00 C ATOM 1021 O LEU A 76 6.753 11.874 1.441 1.00 0.00 O ATOM 1022 CB LEU A 76 4.648 13.334 3.361 1.00 0.00 C ATOM 1023 CG LEU A 76 4.174 14.795 3.404 1.00 0.00 C ATOM 1024 CD1 LEU A 76 4.037 15.268 4.852 1.00 0.00 C ATOM 1025 CD2 LEU A 76 5.135 15.747 2.675 1.00 0.00 C ATOM 0 H LEU A 76 2.653 12.112 2.447 1.00 0.00 H new ATOM 0 HA LEU A 76 4.816 13.517 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.030 12.737 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.670 13.278 3.735 1.00 0.00 H new ATOM 0 HG LEU A 76 3.210 14.820 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.701 16.305 4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.310 14.644 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.003 15.193 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.753 16.766 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.118 15.700 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.216 15.451 1.629 1.00 0.00 H new ATOM 1037 N ALA A 77 5.254 10.373 2.181 1.00 0.00 N ATOM 1038 CA ALA A 77 6.194 9.268 2.228 1.00 0.00 C ATOM 1039 C ALA A 77 6.798 8.954 0.854 1.00 0.00 C ATOM 1040 O ALA A 77 7.882 8.375 0.825 1.00 0.00 O ATOM 1041 CB ALA A 77 5.518 8.017 2.802 1.00 0.00 C ATOM 0 H ALA A 77 4.300 10.116 2.434 1.00 0.00 H new ATOM 0 HA ALA A 77 7.012 9.573 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.235 7.197 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.164 8.226 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.673 7.738 2.172 1.00 0.00 H new ATOM 1047 N GLU A 78 6.147 9.320 -0.261 1.00 0.00 N ATOM 1048 CA GLU A 78 6.672 9.060 -1.605 1.00 0.00 C ATOM 1049 C GLU A 78 7.814 10.030 -1.916 1.00 0.00 C ATOM 1050 O GLU A 78 8.870 9.626 -2.412 1.00 0.00 O ATOM 1051 CB GLU A 78 5.532 9.031 -2.649 1.00 0.00 C ATOM 1052 CG GLU A 78 5.145 10.358 -3.321 1.00 0.00 C ATOM 1053 CD GLU A 78 6.020 10.775 -4.516 1.00 0.00 C ATOM 1054 OE1 GLU A 78 6.887 9.994 -4.975 1.00 0.00 O ATOM 1055 OE2 GLU A 78 5.846 11.888 -5.061 1.00 0.00 O ATOM 0 H GLU A 78 5.248 9.801 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 78 7.111 8.064 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.813 8.328 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.643 8.629 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.111 10.287 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.183 11.149 -2.572 1.00 0.00 H new ATOM 1062 N LYS A 79 7.630 11.307 -1.547 1.00 0.00 N ATOM 1063 CA LYS A 79 8.677 12.314 -1.679 1.00 0.00 C ATOM 1064 C LYS A 79 9.835 11.977 -0.743 1.00 0.00 C ATOM 1065 O LYS A 79 10.989 12.145 -1.121 1.00 0.00 O ATOM 1066 CB LYS A 79 8.149 13.743 -1.420 1.00 0.00 C ATOM 1067 CG LYS A 79 7.228 14.273 -2.538 1.00 0.00 C ATOM 1068 CD LYS A 79 5.725 14.108 -2.279 1.00 0.00 C ATOM 1069 CE LYS A 79 5.106 15.136 -1.323 1.00 0.00 C ATOM 1070 NZ LYS A 79 4.940 16.479 -1.922 1.00 0.00 N ATOM 0 H LYS A 79 6.758 11.661 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 79 9.033 12.298 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.604 13.754 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.996 14.420 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.440 15.331 -2.690 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.479 13.761 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.201 14.162 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.550 13.111 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.133 14.772 -0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.734 15.218 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.517 17.122 -1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.868 16.846 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.317 16.414 -2.753 1.00 0.00 H new ATOM 1084 N ASN A 80 9.552 11.501 0.472 1.00 0.00 N ATOM 1085 CA ASN A 80 10.527 11.334 1.535 1.00 0.00 C ATOM 1086 C ASN A 80 11.042 9.888 1.558 1.00 0.00 C ATOM 1087 O ASN A 80 11.164 9.279 2.628 1.00 0.00 O ATOM 1088 CB ASN A 80 9.891 11.762 2.863 1.00 0.00 C ATOM 1089 CG ASN A 80 9.660 13.265 2.887 1.00 0.00 C ATOM 1090 OD1 ASN A 80 10.584 14.069 2.975 1.00 0.00 O ATOM 1091 ND2 ASN A 80 8.425 13.689 2.719 1.00 0.00 N ATOM 0 H ASN A 80 8.611 11.216 0.744 1.00 0.00 H new ATOM 0 HA ASN A 80 11.396 11.968 1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.944 11.241 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.538 11.475 3.692 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.233 14.689 2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.661 13.017 2.646 1.00 0.00 H new ATOM 1098 N ALA A 81 11.260 9.280 0.389 1.00 0.00 N ATOM 1099 CA ALA A 81 11.896 7.989 0.210 1.00 0.00 C ATOM 1100 C ALA A 81 12.707 8.002 -1.086 1.00 0.00 C ATOM 1101 O ALA A 81 12.656 8.963 -1.858 1.00 0.00 O ATOM 1102 CB ALA A 81 10.828 6.895 0.158 1.00 0.00 C ATOM 0 H ALA A 81 10.981 9.702 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 81 12.565 7.787 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.307 5.925 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.262 6.894 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.153 7.085 -0.676 1.00 0.00 H new ATOM 1108 N GLN A 82 13.435 6.915 -1.323 1.00 0.00 N ATOM 1109 CA GLN A 82 14.247 6.653 -2.504 1.00 0.00 C ATOM 1110 C GLN A 82 14.064 5.187 -2.898 1.00 0.00 C ATOM 1111 O GLN A 82 13.298 4.462 -2.252 1.00 0.00 O ATOM 1112 CB GLN A 82 15.707 7.012 -2.195 1.00 0.00 C ATOM 1113 CG GLN A 82 16.297 6.168 -1.052 1.00 0.00 C ATOM 1114 CD GLN A 82 17.568 5.435 -1.449 1.00 0.00 C ATOM 1115 OE1 GLN A 82 18.555 6.034 -1.878 1.00 0.00 O ATOM 1116 NE2 GLN A 82 17.580 4.129 -1.296 1.00 0.00 N ATOM 0 H GLN A 82 13.475 6.147 -0.653 1.00 0.00 H new ATOM 0 HA GLN A 82 13.939 7.265 -3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.309 6.872 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.769 8.068 -1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 82 16.509 6.816 -0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.553 5.442 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.753 3.650 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.416 3.595 -1.534 1.00 0.00 H new ATOM 1125 N VAL A 83 14.760 4.744 -3.940 1.00 0.00 N ATOM 1126 CA VAL A 83 14.581 3.407 -4.495 1.00 0.00 C ATOM 1127 C VAL A 83 15.992 2.807 -4.599 1.00 0.00 C ATOM 1128 O VAL A 83 16.983 3.547 -4.531 1.00 0.00 O ATOM 1129 CB VAL A 83 13.899 3.581 -5.876 1.00 0.00 C ATOM 1130 CG1 VAL A 83 14.826 3.740 -7.082 1.00 0.00 C ATOM 1131 CG2 VAL A 83 12.647 2.754 -6.095 1.00 0.00 C ATOM 0 H VAL A 83 15.464 5.302 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 83 13.957 2.744 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 83 13.497 4.591 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.229 3.853 -7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 83 15.451 4.623 -6.947 1.00 0.00 H new ATOM 0 HG13 VAL A 83 15.459 2.857 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.251 2.951 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.890 1.695 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.900 3.021 -5.348 1.00 0.00 H new ATOM 1141 N VAL A 84 16.110 1.496 -4.783 1.00 0.00 N ATOM 1142 CA VAL A 84 17.363 0.828 -5.090 1.00 0.00 C ATOM 1143 C VAL A 84 17.134 -0.105 -6.262 1.00 0.00 C ATOM 1144 O VAL A 84 16.204 0.163 -7.048 1.00 0.00 O ATOM 1145 CB VAL A 84 17.947 0.129 -3.843 1.00 0.00 C ATOM 1146 CG1 VAL A 84 18.302 1.188 -2.808 1.00 0.00 C ATOM 1147 CG2 VAL A 84 16.980 -0.847 -3.160 1.00 0.00 C ATOM 0 H VAL A 84 15.317 0.857 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 84 18.121 1.554 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 84 18.808 -0.439 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.716 0.707 -1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 84 19.039 1.873 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.405 1.744 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 84 17.467 -1.295 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 84 16.088 -0.310 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 84 16.697 -1.631 -3.863 1.00 0.00 H new TER 1157 VAL A 84