USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 180:sc= 0.284 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -146:sc= 1.94 (180deg=0.442) USER MOD Set 2.1: A 7 THR OG1 : rot -121:sc= 1.19 USER MOD Set 2.2: A 65 TYR OH : rot 180:sc= 2.2 USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.0885 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 159:sc= -0.307 (180deg=-0.815) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0.307 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.41) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.229 X(o=0.23,f=-0.15) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc=-0.000283 (180deg=-0.303) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.19) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.866 K(o=0.87,f=-1.2) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.103 K(o=-0.1,f=-2.6!) USER MOD Single : A 50 SER OG : rot 43:sc= 0.238 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 128:sc= 0.559 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.497 6.378 12.895 1.00 0.00 N ATOM 2 CA GLY A 1 12.834 6.396 12.285 1.00 0.00 C ATOM 3 C GLY A 1 12.685 6.549 10.783 1.00 0.00 C ATOM 4 O GLY A 1 11.765 7.242 10.347 1.00 0.00 O ATOM 0 H1 GLY A 1 11.542 6.805 13.842 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.837 6.920 12.301 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.165 5.396 12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.423 7.218 12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.368 5.475 12.519 1.00 0.00 H new ATOM 8 N MET A 2 13.566 5.938 9.978 1.00 0.00 N ATOM 9 CA MET A 2 13.574 6.164 8.530 1.00 0.00 C ATOM 10 C MET A 2 13.842 4.913 7.694 1.00 0.00 C ATOM 11 O MET A 2 14.247 5.044 6.542 1.00 0.00 O ATOM 12 CB MET A 2 14.524 7.318 8.174 1.00 0.00 C ATOM 13 CG MET A 2 16.019 7.012 8.252 1.00 0.00 C ATOM 14 SD MET A 2 16.983 8.435 7.692 1.00 0.00 S ATOM 15 CE MET A 2 18.584 7.630 7.485 1.00 0.00 C ATOM 0 H MET A 2 14.279 5.286 10.306 1.00 0.00 H new ATOM 0 HA MET A 2 12.557 6.450 8.260 1.00 0.00 H new ATOM 0 HB2 MET A 2 14.295 7.650 7.161 1.00 0.00 H new ATOM 0 HB3 MET A 2 14.311 8.155 8.839 1.00 0.00 H new ATOM 0 HG2 MET A 2 16.292 6.760 9.277 1.00 0.00 H new ATOM 0 HG3 MET A 2 16.251 6.142 7.637 1.00 0.00 H new ATOM 0 HE1 MET A 2 19.316 8.360 7.140 1.00 0.00 H new ATOM 0 HE2 MET A 2 18.908 7.214 8.439 1.00 0.00 H new ATOM 0 HE3 MET A 2 18.496 6.829 6.751 1.00 0.00 H new ATOM 25 N VAL A 3 13.624 3.712 8.233 1.00 0.00 N ATOM 26 CA VAL A 3 13.666 2.470 7.461 1.00 0.00 C ATOM 27 C VAL A 3 12.467 2.483 6.510 1.00 0.00 C ATOM 28 O VAL A 3 11.391 1.993 6.840 1.00 0.00 O ATOM 29 CB VAL A 3 13.662 1.243 8.405 1.00 0.00 C ATOM 30 CG1 VAL A 3 13.825 -0.070 7.623 1.00 0.00 C ATOM 31 CG2 VAL A 3 14.794 1.352 9.433 1.00 0.00 C ATOM 0 H VAL A 3 13.413 3.574 9.221 1.00 0.00 H new ATOM 0 HA VAL A 3 14.585 2.397 6.879 1.00 0.00 H new ATOM 0 HB VAL A 3 12.699 1.232 8.915 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.818 -0.910 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.003 -0.177 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 3 14.770 -0.056 7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.776 0.481 10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.752 1.397 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.660 2.256 10.027 1.00 0.00 H new ATOM 41 N LYS A 4 12.620 3.078 5.328 1.00 0.00 N ATOM 42 CA LYS A 4 11.641 3.057 4.247 1.00 0.00 C ATOM 43 C LYS A 4 12.173 2.069 3.213 1.00 0.00 C ATOM 44 O LYS A 4 12.287 2.369 2.025 1.00 0.00 O ATOM 45 CB LYS A 4 11.388 4.479 3.703 1.00 0.00 C ATOM 46 CG LYS A 4 11.113 5.563 4.765 1.00 0.00 C ATOM 47 CD LYS A 4 10.037 5.292 5.829 1.00 0.00 C ATOM 48 CE LYS A 4 8.605 5.245 5.292 1.00 0.00 C ATOM 49 NZ LYS A 4 8.292 3.984 4.598 1.00 0.00 N ATOM 0 H LYS A 4 13.460 3.606 5.090 1.00 0.00 H new ATOM 0 HA LYS A 4 10.657 2.726 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.255 4.783 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.539 4.441 3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.050 5.763 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.838 6.478 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.259 4.343 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.099 6.066 6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.908 5.381 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.452 6.078 4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.261 3.849 4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.661 4.022 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.732 3.190 5.105 1.00 0.00 H new ATOM 63 N GLU A 5 12.554 0.897 3.709 1.00 0.00 N ATOM 64 CA GLU A 5 13.010 -0.267 2.968 1.00 0.00 C ATOM 65 C GLU A 5 12.268 -1.460 3.587 1.00 0.00 C ATOM 66 O GLU A 5 12.844 -2.512 3.858 1.00 0.00 O ATOM 67 CB GLU A 5 14.549 -0.385 3.005 1.00 0.00 C ATOM 68 CG GLU A 5 15.243 0.880 2.465 1.00 0.00 C ATOM 69 CD GLU A 5 16.742 0.703 2.190 1.00 0.00 C ATOM 70 OE1 GLU A 5 17.101 0.130 1.132 1.00 0.00 O ATOM 71 OE2 GLU A 5 17.554 1.205 3.003 1.00 0.00 O ATOM 0 H GLU A 5 12.551 0.726 4.715 1.00 0.00 H new ATOM 0 HA GLU A 5 12.783 -0.207 1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.873 -0.566 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.860 -1.248 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.749 1.187 1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.109 1.689 3.183 1.00 0.00 H new ATOM 78 N THR A 6 10.976 -1.268 3.861 1.00 0.00 N ATOM 79 CA THR A 6 10.025 -2.264 4.328 1.00 0.00 C ATOM 80 C THR A 6 8.970 -2.387 3.226 1.00 0.00 C ATOM 81 O THR A 6 8.633 -1.375 2.604 1.00 0.00 O ATOM 82 CB THR A 6 9.386 -1.822 5.656 1.00 0.00 C ATOM 83 OG1 THR A 6 10.341 -1.297 6.561 1.00 0.00 O ATOM 84 CG2 THR A 6 8.704 -3.009 6.350 1.00 0.00 C ATOM 0 H THR A 6 10.544 -0.350 3.754 1.00 0.00 H new ATOM 0 HA THR A 6 10.509 -3.222 4.519 1.00 0.00 H new ATOM 0 HB THR A 6 8.662 -1.048 5.400 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.893 -1.027 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.258 -2.675 7.287 1.00 0.00 H new ATOM 0 HG22 THR A 6 7.926 -3.412 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.443 -3.784 6.555 1.00 0.00 H new ATOM 92 N THR A 7 8.463 -3.602 3.004 1.00 0.00 N ATOM 93 CA THR A 7 7.601 -3.931 1.880 1.00 0.00 C ATOM 94 C THR A 7 6.317 -3.103 1.824 1.00 0.00 C ATOM 95 O THR A 7 5.923 -2.408 2.764 1.00 0.00 O ATOM 96 CB THR A 7 7.338 -5.446 1.886 1.00 0.00 C ATOM 97 OG1 THR A 7 6.994 -5.957 0.622 1.00 0.00 O ATOM 98 CG2 THR A 7 6.284 -5.909 2.894 1.00 0.00 C ATOM 0 H THR A 7 8.647 -4.397 3.616 1.00 0.00 H new ATOM 0 HA THR A 7 8.120 -3.661 0.961 1.00 0.00 H new ATOM 0 HB THR A 7 8.302 -5.850 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.110 -6.378 0.669 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.166 -6.990 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.602 -5.641 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.332 -5.426 2.673 1.00 0.00 H new ATOM 106 N TYR A 8 5.610 -3.295 0.716 1.00 0.00 N ATOM 107 CA TYR A 8 4.392 -2.575 0.340 1.00 0.00 C ATOM 108 C TYR A 8 3.328 -2.607 1.428 1.00 0.00 C ATOM 109 O TYR A 8 2.639 -1.612 1.656 1.00 0.00 O ATOM 110 CB TYR A 8 3.819 -3.175 -0.950 1.00 0.00 C ATOM 111 CG TYR A 8 4.653 -2.881 -2.172 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.087 -1.568 -2.453 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.024 -3.943 -3.010 1.00 0.00 C ATOM 114 CE1 TYR A 8 5.905 -1.315 -3.563 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.888 -3.707 -4.093 1.00 0.00 C ATOM 116 CZ TYR A 8 6.327 -2.391 -4.372 1.00 0.00 C ATOM 117 OH TYR A 8 7.096 -2.136 -5.461 1.00 0.00 O ATOM 0 H TYR A 8 5.881 -3.990 0.020 1.00 0.00 H new ATOM 0 HA TYR A 8 4.670 -1.532 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.731 -4.255 -0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.812 -2.788 -1.105 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.787 -0.754 -1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.647 -4.938 -2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.209 -0.305 -3.797 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.217 -4.529 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 8 7.307 -2.978 -5.917 1.00 0.00 H new ATOM 127 N TYR A 9 3.208 -3.728 2.131 1.00 0.00 N ATOM 128 CA TYR A 9 2.282 -3.866 3.236 1.00 0.00 C ATOM 129 C TYR A 9 2.490 -2.779 4.293 1.00 0.00 C ATOM 130 O TYR A 9 1.510 -2.234 4.797 1.00 0.00 O ATOM 131 CB TYR A 9 2.434 -5.273 3.813 1.00 0.00 C ATOM 132 CG TYR A 9 1.986 -6.386 2.880 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.741 -6.317 2.225 1.00 0.00 C ATOM 134 CD2 TYR A 9 2.794 -7.521 2.699 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.265 -7.412 1.490 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.333 -8.616 1.946 1.00 0.00 C ATOM 137 CZ TYR A 9 1.055 -8.574 1.344 1.00 0.00 C ATOM 138 OH TYR A 9 0.590 -9.626 0.611 1.00 0.00 O ATOM 0 H TYR A 9 3.756 -4.568 1.945 1.00 0.00 H new ATOM 0 HA TYR A 9 1.261 -3.732 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.480 -5.434 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.860 -5.337 4.737 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.150 -5.416 2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.778 -7.553 3.142 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.712 -7.367 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.956 -9.490 1.828 1.00 0.00 H new ATOM 0 HH TYR A 9 1.257 -10.344 0.610 1.00 0.00 H new ATOM 148 N ASP A 10 3.732 -2.393 4.583 1.00 0.00 N ATOM 149 CA ASP A 10 4.010 -1.341 5.560 1.00 0.00 C ATOM 150 C ASP A 10 3.587 0.029 5.061 1.00 0.00 C ATOM 151 O ASP A 10 3.112 0.848 5.853 1.00 0.00 O ATOM 152 CB ASP A 10 5.490 -1.278 5.947 1.00 0.00 C ATOM 153 CG ASP A 10 5.598 -1.283 7.465 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.580 -2.392 8.038 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.625 -0.204 8.106 1.00 0.00 O ATOM 0 H ASP A 10 4.565 -2.795 4.153 1.00 0.00 H new ATOM 0 HA ASP A 10 3.422 -1.606 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.027 -2.129 5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.949 -0.378 5.538 1.00 0.00 H new ATOM 160 N VAL A 11 3.719 0.293 3.756 1.00 0.00 N ATOM 161 CA VAL A 11 3.206 1.521 3.160 1.00 0.00 C ATOM 162 C VAL A 11 1.699 1.583 3.399 1.00 0.00 C ATOM 163 O VAL A 11 1.144 2.624 3.764 1.00 0.00 O ATOM 164 CB VAL A 11 3.573 1.598 1.658 1.00 0.00 C ATOM 165 CG1 VAL A 11 2.891 2.782 0.974 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.086 1.697 1.426 1.00 0.00 C ATOM 0 H VAL A 11 4.179 -0.333 3.095 1.00 0.00 H new ATOM 0 HA VAL A 11 3.666 2.391 3.629 1.00 0.00 H new ATOM 0 HB VAL A 11 3.215 0.666 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.171 2.805 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.809 2.678 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.205 3.709 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.287 1.748 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.471 2.594 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.577 0.819 1.846 1.00 0.00 H new ATOM 176 N LEU A 12 1.027 0.448 3.238 1.00 0.00 N ATOM 177 CA LEU A 12 -0.408 0.313 3.408 1.00 0.00 C ATOM 178 C LEU A 12 -0.791 0.143 4.881 1.00 0.00 C ATOM 179 O LEU A 12 -1.979 0.009 5.170 1.00 0.00 O ATOM 180 CB LEU A 12 -0.896 -0.846 2.516 1.00 0.00 C ATOM 181 CG LEU A 12 -0.586 -0.620 1.016 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.431 -1.952 0.286 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.692 0.191 0.341 1.00 0.00 C ATOM 0 H LEU A 12 1.483 -0.427 2.978 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.910 1.228 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.426 -1.773 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.971 -0.970 2.645 1.00 0.00 H new ATOM 0 HG LEU A 12 0.350 -0.065 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.214 -1.767 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.387 -2.518 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.356 -2.523 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.447 0.334 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.638 -0.344 0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.780 1.162 0.828 1.00 0.00 H new ATOM 195 N GLY A 13 0.169 0.219 5.808 1.00 0.00 N ATOM 196 CA GLY A 13 -0.059 0.212 7.241 1.00 0.00 C ATOM 197 C GLY A 13 -0.554 -1.137 7.749 1.00 0.00 C ATOM 198 O GLY A 13 -1.329 -1.159 8.710 1.00 0.00 O ATOM 0 H GLY A 13 1.157 0.289 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.867 0.472 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.789 0.981 7.493 1.00 0.00 H new ATOM 202 N VAL A 14 -0.158 -2.246 7.119 1.00 0.00 N ATOM 203 CA VAL A 14 -0.615 -3.585 7.472 1.00 0.00 C ATOM 204 C VAL A 14 0.560 -4.529 7.685 1.00 0.00 C ATOM 205 O VAL A 14 1.658 -4.341 7.154 1.00 0.00 O ATOM 206 CB VAL A 14 -1.632 -4.121 6.436 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.870 -3.226 6.467 1.00 0.00 C ATOM 208 CG2 VAL A 14 -1.110 -4.225 4.992 1.00 0.00 C ATOM 0 H VAL A 14 0.499 -2.235 6.339 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.143 -3.525 8.424 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.853 -5.147 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.599 -3.588 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.309 -3.246 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.586 -2.204 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.899 -4.611 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.806 -3.238 4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.255 -4.900 4.962 1.00 0.00 H new ATOM 218 N LYS A 15 0.293 -5.580 8.460 1.00 0.00 N ATOM 219 CA LYS A 15 1.223 -6.674 8.681 1.00 0.00 C ATOM 220 C LYS A 15 1.562 -7.373 7.355 1.00 0.00 C ATOM 221 O LYS A 15 0.695 -7.472 6.484 1.00 0.00 O ATOM 222 CB LYS A 15 0.692 -7.632 9.769 1.00 0.00 C ATOM 223 CG LYS A 15 -0.828 -7.869 9.845 1.00 0.00 C ATOM 224 CD LYS A 15 -1.428 -8.408 8.542 1.00 0.00 C ATOM 225 CE LYS A 15 -2.842 -8.979 8.707 1.00 0.00 C ATOM 226 NZ LYS A 15 -3.900 -7.950 8.824 1.00 0.00 N ATOM 0 H LYS A 15 -0.591 -5.692 8.957 1.00 0.00 H new ATOM 0 HA LYS A 15 2.163 -6.277 9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.174 -8.599 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.020 -7.252 10.737 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.038 -8.572 10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.321 -6.932 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.453 -7.606 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.775 -9.186 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.066 -9.619 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.866 -9.611 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.825 -8.414 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.713 -7.353 9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.907 -7.360 7.968 1.00 0.00 H new ATOM 240 N PRO A 16 2.756 -7.972 7.207 1.00 0.00 N ATOM 241 CA PRO A 16 3.133 -8.699 5.994 1.00 0.00 C ATOM 242 C PRO A 16 2.373 -10.028 5.811 1.00 0.00 C ATOM 243 O PRO A 16 2.556 -10.732 4.820 1.00 0.00 O ATOM 244 CB PRO A 16 4.651 -8.884 6.084 1.00 0.00 C ATOM 245 CG PRO A 16 4.926 -8.876 7.588 1.00 0.00 C ATOM 246 CD PRO A 16 3.863 -7.936 8.151 1.00 0.00 C ATOM 0 HA PRO A 16 2.854 -8.136 5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.969 -9.819 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.184 -8.081 5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.842 -9.875 8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.932 -8.519 7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.542 -8.258 9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.253 -6.924 8.256 1.00 0.00 H new ATOM 254 N ASN A 17 1.510 -10.379 6.767 1.00 0.00 N ATOM 255 CA ASN A 17 0.587 -11.514 6.751 1.00 0.00 C ATOM 256 C ASN A 17 -0.780 -11.151 6.119 1.00 0.00 C ATOM 257 O ASN A 17 -1.711 -11.952 6.165 1.00 0.00 O ATOM 258 CB ASN A 17 0.492 -12.012 8.207 1.00 0.00 C ATOM 259 CG ASN A 17 -0.555 -13.089 8.453 1.00 0.00 C ATOM 260 OD1 ASN A 17 -1.487 -12.870 9.216 1.00 0.00 O ATOM 261 ND2 ASN A 17 -0.439 -14.255 7.847 1.00 0.00 N ATOM 0 H ASN A 17 1.433 -9.841 7.630 1.00 0.00 H new ATOM 0 HA ASN A 17 0.953 -12.317 6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.466 -12.399 8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.274 -11.161 8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.130 -14.986 8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.342 -14.425 7.214 1.00 0.00 H new ATOM 268 N ALA A 18 -0.930 -9.943 5.554 1.00 0.00 N ATOM 269 CA ALA A 18 -2.191 -9.446 5.003 1.00 0.00 C ATOM 270 C ALA A 18 -2.723 -10.287 3.837 1.00 0.00 C ATOM 271 O ALA A 18 -1.981 -11.002 3.158 1.00 0.00 O ATOM 272 CB ALA A 18 -2.036 -7.993 4.554 1.00 0.00 C ATOM 0 H ALA A 18 -0.163 -9.276 5.468 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.923 -9.520 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.981 -7.635 4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.753 -7.377 5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.263 -7.929 3.788 1.00 0.00 H new ATOM 278 N THR A 19 -4.014 -10.122 3.562 1.00 0.00 N ATOM 279 CA THR A 19 -4.777 -10.840 2.553 1.00 0.00 C ATOM 280 C THR A 19 -5.352 -9.870 1.516 1.00 0.00 C ATOM 281 O THR A 19 -5.441 -8.663 1.750 1.00 0.00 O ATOM 282 CB THR A 19 -5.849 -11.702 3.251 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.364 -11.054 4.399 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.251 -13.028 3.713 1.00 0.00 C ATOM 0 H THR A 19 -4.585 -9.445 4.068 1.00 0.00 H new ATOM 0 HA THR A 19 -4.128 -11.515 1.995 1.00 0.00 H new ATOM 0 HB THR A 19 -6.644 -11.865 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.042 -11.623 4.819 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.021 -13.623 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.865 -13.573 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.439 -12.836 4.415 1.00 0.00 H new ATOM 292 N GLN A 20 -5.756 -10.395 0.355 1.00 0.00 N ATOM 293 CA GLN A 20 -6.228 -9.596 -0.774 1.00 0.00 C ATOM 294 C GLN A 20 -7.482 -8.807 -0.402 1.00 0.00 C ATOM 295 O GLN A 20 -7.670 -7.703 -0.909 1.00 0.00 O ATOM 296 CB GLN A 20 -6.491 -10.486 -2.001 1.00 0.00 C ATOM 297 CG GLN A 20 -5.259 -11.264 -2.502 1.00 0.00 C ATOM 298 CD GLN A 20 -4.545 -10.614 -3.686 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.351 -11.242 -4.722 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.112 -9.372 -3.563 1.00 0.00 N ATOM 0 H GLN A 20 -5.764 -11.399 0.173 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.444 -8.883 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.279 -11.198 -1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.866 -9.862 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.552 -11.370 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.570 -12.269 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.278 -8.857 -2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.612 -8.928 -4.333 1.00 0.00 H new ATOM 309 N GLU A 21 -8.323 -9.334 0.493 1.00 0.00 N ATOM 310 CA GLU A 21 -9.502 -8.656 0.983 1.00 0.00 C ATOM 311 C GLU A 21 -9.141 -7.465 1.870 1.00 0.00 C ATOM 312 O GLU A 21 -9.716 -6.381 1.735 1.00 0.00 O ATOM 313 CB GLU A 21 -10.413 -9.604 1.745 1.00 0.00 C ATOM 314 CG GLU A 21 -9.711 -10.633 2.615 1.00 0.00 C ATOM 315 CD GLU A 21 -10.731 -11.378 3.480 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.709 -11.915 2.908 1.00 0.00 O ATOM 317 OE2 GLU A 21 -10.585 -11.380 4.725 1.00 0.00 O ATOM 0 H GLU A 21 -8.191 -10.261 0.898 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.035 -8.286 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.076 -9.013 2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.042 -10.130 1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.169 -11.341 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.975 -10.141 3.250 1.00 0.00 H new ATOM 324 N GLU A 22 -8.211 -7.704 2.796 1.00 0.00 N ATOM 325 CA GLU A 22 -7.810 -6.794 3.855 1.00 0.00 C ATOM 326 C GLU A 22 -7.240 -5.521 3.250 1.00 0.00 C ATOM 327 O GLU A 22 -7.640 -4.418 3.626 1.00 0.00 O ATOM 328 CB GLU A 22 -6.770 -7.487 4.752 1.00 0.00 C ATOM 329 CG GLU A 22 -7.396 -8.440 5.767 1.00 0.00 C ATOM 330 CD GLU A 22 -8.257 -7.690 6.778 1.00 0.00 C ATOM 331 OE1 GLU A 22 -7.665 -7.081 7.706 1.00 0.00 O ATOM 332 OE2 GLU A 22 -9.497 -7.703 6.627 1.00 0.00 O ATOM 0 H GLU A 22 -7.695 -8.583 2.824 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.675 -6.527 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.070 -8.041 4.126 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.193 -6.729 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.004 -9.180 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.610 -8.985 6.290 1.00 0.00 H new ATOM 339 N LEU A 23 -6.379 -5.689 2.245 1.00 0.00 N ATOM 340 CA LEU A 23 -5.738 -4.628 1.480 1.00 0.00 C ATOM 341 C LEU A 23 -6.751 -3.559 1.061 1.00 0.00 C ATOM 342 O LEU A 23 -6.488 -2.358 1.152 1.00 0.00 O ATOM 343 CB LEU A 23 -5.087 -5.281 0.245 1.00 0.00 C ATOM 344 CG LEU A 23 -3.682 -5.845 0.530 1.00 0.00 C ATOM 345 CD1 LEU A 23 -3.319 -6.967 -0.452 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.673 -4.703 0.423 1.00 0.00 C ATOM 0 H LEU A 23 -6.098 -6.618 1.930 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.986 -4.126 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.729 -6.085 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.021 -4.544 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.665 -6.273 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.322 -7.343 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.042 -7.778 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.335 -6.579 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.671 -5.083 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.708 -4.279 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.919 -3.931 1.152 1.00 0.00 H new ATOM 358 N LYS A 24 -7.940 -3.982 0.628 1.00 0.00 N ATOM 359 CA LYS A 24 -8.935 -3.084 0.044 1.00 0.00 C ATOM 360 C LYS A 24 -9.693 -2.311 1.126 1.00 0.00 C ATOM 361 O LYS A 24 -10.235 -1.243 0.837 1.00 0.00 O ATOM 362 CB LYS A 24 -9.861 -3.832 -0.945 1.00 0.00 C ATOM 363 CG LYS A 24 -9.209 -5.074 -1.604 1.00 0.00 C ATOM 364 CD LYS A 24 -9.593 -5.461 -3.036 1.00 0.00 C ATOM 365 CE LYS A 24 -11.086 -5.544 -3.338 1.00 0.00 C ATOM 366 NZ LYS A 24 -11.617 -4.270 -3.865 1.00 0.00 N ATOM 0 H LYS A 24 -8.239 -4.956 0.673 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.412 -2.333 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.762 -4.145 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.174 -3.141 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.130 -4.924 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.423 -5.932 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.146 -4.737 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.145 -6.429 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.265 -6.339 -4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.625 -5.813 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.512 -4.447 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.785 -3.612 -3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.929 -3.853 -4.524 1.00 0.00 H new ATOM 380 N LYS A 25 -9.718 -2.788 2.376 1.00 0.00 N ATOM 381 CA LYS A 25 -10.159 -1.980 3.518 1.00 0.00 C ATOM 382 C LYS A 25 -9.017 -1.095 4.015 1.00 0.00 C ATOM 383 O LYS A 25 -9.285 0.049 4.380 1.00 0.00 O ATOM 384 CB LYS A 25 -10.695 -2.857 4.668 1.00 0.00 C ATOM 385 CG LYS A 25 -11.866 -3.767 4.252 1.00 0.00 C ATOM 386 CD LYS A 25 -12.872 -4.007 5.394 1.00 0.00 C ATOM 387 CE LYS A 25 -13.966 -4.962 4.896 1.00 0.00 C ATOM 388 NZ LYS A 25 -15.080 -5.148 5.853 1.00 0.00 N ATOM 0 H LYS A 25 -9.436 -3.737 2.623 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.979 -1.348 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.883 -3.475 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.019 -2.213 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.385 -3.318 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.473 -4.725 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.365 -4.432 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.312 -3.063 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.367 -4.582 3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.518 -5.932 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.779 -5.804 5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.711 -5.540 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.534 -4.231 6.040 1.00 0.00 H new ATOM 402 N ALA A 26 -7.773 -1.586 4.007 1.00 0.00 N ATOM 403 CA ALA A 26 -6.596 -0.861 4.471 1.00 0.00 C ATOM 404 C ALA A 26 -6.417 0.452 3.706 1.00 0.00 C ATOM 405 O ALA A 26 -6.269 1.502 4.329 1.00 0.00 O ATOM 406 CB ALA A 26 -5.351 -1.745 4.359 1.00 0.00 C ATOM 0 H ALA A 26 -7.557 -2.523 3.668 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.741 -0.606 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.479 -1.192 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.483 -2.638 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.203 -2.035 3.319 1.00 0.00 H new ATOM 412 N TYR A 27 -6.502 0.403 2.373 1.00 0.00 N ATOM 413 CA TYR A 27 -6.375 1.568 1.500 1.00 0.00 C ATOM 414 C TYR A 27 -7.308 2.699 1.938 1.00 0.00 C ATOM 415 O TYR A 27 -6.878 3.834 2.151 1.00 0.00 O ATOM 416 CB TYR A 27 -6.617 1.142 0.048 1.00 0.00 C ATOM 417 CG TYR A 27 -6.524 2.296 -0.929 1.00 0.00 C ATOM 418 CD1 TYR A 27 -5.272 2.880 -1.196 1.00 0.00 C ATOM 419 CD2 TYR A 27 -7.683 2.818 -1.534 1.00 0.00 C ATOM 420 CE1 TYR A 27 -5.172 3.980 -2.068 1.00 0.00 C ATOM 421 CE2 TYR A 27 -7.593 3.914 -2.411 1.00 0.00 C ATOM 422 CZ TYR A 27 -6.335 4.500 -2.683 1.00 0.00 C ATOM 423 OH TYR A 27 -6.236 5.566 -3.524 1.00 0.00 O ATOM 0 H TYR A 27 -6.664 -0.466 1.863 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.363 1.966 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.888 0.380 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.603 0.684 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.383 2.482 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.645 2.375 -1.324 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.209 4.426 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.484 4.308 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.126 5.799 -3.863 1.00 0.00 H new ATOM 433 N ARG A 28 -8.584 2.372 2.165 1.00 0.00 N ATOM 434 CA ARG A 28 -9.603 3.322 2.605 1.00 0.00 C ATOM 435 C ARG A 28 -9.350 3.903 4.005 1.00 0.00 C ATOM 436 O ARG A 28 -10.081 4.793 4.425 1.00 0.00 O ATOM 437 CB ARG A 28 -10.983 2.652 2.515 1.00 0.00 C ATOM 438 CG ARG A 28 -11.458 2.523 1.059 1.00 0.00 C ATOM 439 CD ARG A 28 -12.973 2.330 1.031 1.00 0.00 C ATOM 440 NE ARG A 28 -13.491 2.120 -0.335 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.758 2.310 -0.728 1.00 0.00 C ATOM 442 NH1 ARG A 28 -15.672 2.785 0.105 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.135 2.020 -1.968 1.00 0.00 N ATOM 0 H ARG A 28 -8.941 1.424 2.045 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.559 4.181 1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.938 1.664 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.708 3.234 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.184 3.415 0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.964 1.679 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.239 1.475 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.455 3.204 1.469 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.827 1.803 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -15.417 3.014 1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.631 2.922 -0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.457 1.648 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.102 2.169 -2.255 1.00 0.00 H new ATOM 457 N LYS A 29 -8.339 3.445 4.741 1.00 0.00 N ATOM 458 CA LYS A 29 -7.914 4.038 6.013 1.00 0.00 C ATOM 459 C LYS A 29 -6.821 5.054 5.735 1.00 0.00 C ATOM 460 O LYS A 29 -6.974 6.227 6.070 1.00 0.00 O ATOM 461 CB LYS A 29 -7.443 2.958 7.006 1.00 0.00 C ATOM 462 CG LYS A 29 -8.587 1.983 7.281 1.00 0.00 C ATOM 463 CD LYS A 29 -8.191 0.676 7.958 1.00 0.00 C ATOM 464 CE LYS A 29 -7.764 0.870 9.412 1.00 0.00 C ATOM 465 NZ LYS A 29 -8.050 -0.348 10.189 1.00 0.00 N ATOM 0 H LYS A 29 -7.780 2.637 4.467 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.761 4.540 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.586 2.423 6.598 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.116 3.422 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.326 2.485 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.075 1.748 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.031 -0.017 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.374 0.217 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.699 1.100 9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.293 1.719 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.756 -0.207 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.070 -0.549 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.526 -1.150 9.783 1.00 0.00 H new ATOM 479 N LEU A 30 -5.711 4.616 5.136 1.00 0.00 N ATOM 480 CA LEU A 30 -4.554 5.498 4.952 1.00 0.00 C ATOM 481 C LEU A 30 -4.841 6.610 3.941 1.00 0.00 C ATOM 482 O LEU A 30 -4.292 7.698 4.093 1.00 0.00 O ATOM 483 CB LEU A 30 -3.267 4.745 4.588 1.00 0.00 C ATOM 484 CG LEU A 30 -2.563 3.966 5.722 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.352 4.783 7.005 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.284 2.668 6.085 1.00 0.00 C ATOM 0 H LEU A 30 -5.588 3.670 4.774 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.380 5.958 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.501 4.042 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.557 5.465 4.181 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.584 3.734 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.852 4.166 7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.736 5.655 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.318 5.109 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.744 2.164 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.297 2.895 6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.325 2.018 5.211 1.00 0.00 H new ATOM 498 N ALA A 31 -5.724 6.408 2.958 1.00 0.00 N ATOM 499 CA ALA A 31 -6.158 7.485 2.069 1.00 0.00 C ATOM 500 C ALA A 31 -6.691 8.662 2.894 1.00 0.00 C ATOM 501 O ALA A 31 -6.223 9.788 2.762 1.00 0.00 O ATOM 502 CB ALA A 31 -7.212 6.952 1.093 1.00 0.00 C ATOM 0 H ALA A 31 -6.152 5.504 2.759 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.312 7.848 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.534 7.756 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.783 6.144 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.069 6.577 1.652 1.00 0.00 H new ATOM 508 N LEU A 32 -7.624 8.383 3.801 1.00 0.00 N ATOM 509 CA LEU A 32 -8.238 9.320 4.728 1.00 0.00 C ATOM 510 C LEU A 32 -7.279 9.817 5.825 1.00 0.00 C ATOM 511 O LEU A 32 -7.707 10.610 6.669 1.00 0.00 O ATOM 512 CB LEU A 32 -9.454 8.621 5.364 1.00 0.00 C ATOM 513 CG LEU A 32 -10.694 8.493 4.467 1.00 0.00 C ATOM 514 CD1 LEU A 32 -10.496 7.817 3.104 1.00 0.00 C ATOM 515 CD2 LEU A 32 -11.783 7.768 5.270 1.00 0.00 C ATOM 0 H LEU A 32 -7.991 7.438 3.912 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.531 10.209 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.152 7.622 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.734 9.168 6.264 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.973 9.512 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.446 7.790 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.768 8.381 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.133 6.800 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.678 7.663 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.424 6.781 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.021 8.345 6.163 1.00 0.00 H new ATOM 527 N LYS A 33 -6.021 9.361 5.870 1.00 0.00 N ATOM 528 CA LYS A 33 -4.982 9.854 6.779 1.00 0.00 C ATOM 529 C LYS A 33 -4.062 10.846 6.070 1.00 0.00 C ATOM 530 O LYS A 33 -3.524 11.742 6.720 1.00 0.00 O ATOM 531 CB LYS A 33 -4.173 8.649 7.298 1.00 0.00 C ATOM 532 CG LYS A 33 -2.977 8.986 8.201 1.00 0.00 C ATOM 533 CD LYS A 33 -3.399 9.740 9.468 1.00 0.00 C ATOM 534 CE LYS A 33 -2.442 9.547 10.646 1.00 0.00 C ATOM 535 NZ LYS A 33 -1.053 9.944 10.345 1.00 0.00 N ATOM 0 H LYS A 33 -5.690 8.617 5.256 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.449 10.377 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.847 7.993 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.809 8.083 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.466 8.065 8.482 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.262 9.590 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.471 10.804 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.395 9.409 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.802 10.128 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.455 8.500 10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.458 9.788 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.693 9.373 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.028 10.951 10.085 1.00 0.00 H new ATOM 549 N TYR A 34 -3.870 10.674 4.765 1.00 0.00 N ATOM 550 CA TYR A 34 -2.889 11.394 3.972 1.00 0.00 C ATOM 551 C TYR A 34 -3.566 12.243 2.893 1.00 0.00 C ATOM 552 O TYR A 34 -2.908 12.678 1.950 1.00 0.00 O ATOM 553 CB TYR A 34 -1.906 10.375 3.384 1.00 0.00 C ATOM 554 CG TYR A 34 -1.069 9.638 4.419 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.222 10.352 5.283 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.109 8.236 4.504 1.00 0.00 C ATOM 557 CE1 TYR A 34 0.632 9.670 6.163 1.00 0.00 C ATOM 558 CE2 TYR A 34 -0.239 7.541 5.357 1.00 0.00 C ATOM 559 CZ TYR A 34 0.671 8.258 6.162 1.00 0.00 C ATOM 560 OH TYR A 34 1.620 7.616 6.901 1.00 0.00 O ATOM 0 H TYR A 34 -4.413 10.007 4.216 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.338 12.095 4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.465 9.644 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.237 10.890 2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.228 11.432 5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.819 7.686 3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.261 10.226 6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.266 6.462 5.397 1.00 0.00 H new ATOM 0 HH TYR A 34 1.515 6.647 6.797 1.00 0.00 H new ATOM 570 N HIS A 35 -4.882 12.461 2.988 1.00 0.00 N ATOM 571 CA HIS A 35 -5.613 13.143 1.934 1.00 0.00 C ATOM 572 C HIS A 35 -5.070 14.575 1.843 1.00 0.00 C ATOM 573 O HIS A 35 -4.934 15.219 2.890 1.00 0.00 O ATOM 574 CB HIS A 35 -7.111 13.143 2.302 1.00 0.00 C ATOM 575 CG HIS A 35 -8.026 12.979 1.123 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.672 13.974 0.422 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.387 11.780 0.577 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.383 13.376 -0.549 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.278 12.035 -0.470 1.00 0.00 N ATOM 0 H HIS A 35 -5.453 12.174 3.783 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.492 12.649 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.301 12.338 3.012 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.351 14.078 2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.045 10.807 0.897 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.962 13.901 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.752 11.346 -1.055 1.00 0.00 H new ATOM 587 N PRO A 36 -4.933 15.153 0.640 1.00 0.00 N ATOM 588 CA PRO A 36 -4.248 16.434 0.477 1.00 0.00 C ATOM 589 C PRO A 36 -5.108 17.591 0.984 1.00 0.00 C ATOM 590 O PRO A 36 -4.588 18.561 1.530 1.00 0.00 O ATOM 591 CB PRO A 36 -3.936 16.546 -1.017 1.00 0.00 C ATOM 592 CG PRO A 36 -4.961 15.623 -1.677 1.00 0.00 C ATOM 593 CD PRO A 36 -5.170 14.521 -0.647 1.00 0.00 C ATOM 0 HA PRO A 36 -3.333 16.485 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.037 17.572 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.916 16.232 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.891 16.148 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.591 15.224 -2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.179 14.113 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.481 13.692 -0.812 1.00 0.00 H new ATOM 601 N ASP A 37 -6.431 17.433 0.904 1.00 0.00 N ATOM 602 CA ASP A 37 -7.450 18.325 1.459 1.00 0.00 C ATOM 603 C ASP A 37 -7.190 18.651 2.932 1.00 0.00 C ATOM 604 O ASP A 37 -7.480 19.743 3.419 1.00 0.00 O ATOM 605 CB ASP A 37 -8.803 17.604 1.341 1.00 0.00 C ATOM 606 CG ASP A 37 -9.994 18.513 1.650 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.433 18.595 2.820 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.582 19.053 0.689 1.00 0.00 O ATOM 0 H ASP A 37 -6.843 16.633 0.423 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.435 19.266 0.909 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.909 17.206 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.816 16.753 2.023 1.00 0.00 H new ATOM 613 N LYS A 38 -6.626 17.680 3.650 1.00 0.00 N ATOM 614 CA LYS A 38 -6.636 17.589 5.103 1.00 0.00 C ATOM 615 C LYS A 38 -5.235 17.434 5.678 1.00 0.00 C ATOM 616 O LYS A 38 -5.096 17.426 6.906 1.00 0.00 O ATOM 617 CB LYS A 38 -7.482 16.358 5.461 1.00 0.00 C ATOM 618 CG LYS A 38 -8.991 16.554 5.256 1.00 0.00 C ATOM 619 CD LYS A 38 -9.664 17.401 6.339 1.00 0.00 C ATOM 620 CE LYS A 38 -9.577 16.724 7.713 1.00 0.00 C ATOM 621 NZ LYS A 38 -9.277 17.696 8.781 1.00 0.00 N ATOM 0 H LYS A 38 -6.129 16.904 3.212 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.047 18.506 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.150 15.514 4.856 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.299 16.095 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.157 17.024 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.472 15.577 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.189 18.381 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.709 17.565 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.519 16.222 7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.804 15.956 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.226 17.203 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.366 18.157 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.028 18.415 8.817 1.00 0.00 H new ATOM 635 N ASN A 39 -4.227 17.225 4.835 1.00 0.00 N ATOM 636 CA ASN A 39 -2.873 16.879 5.247 1.00 0.00 C ATOM 637 C ASN A 39 -1.899 17.158 4.093 1.00 0.00 C ATOM 638 O ASN A 39 -1.224 16.245 3.617 1.00 0.00 O ATOM 639 CB ASN A 39 -2.852 15.401 5.687 1.00 0.00 C ATOM 640 CG ASN A 39 -1.616 15.037 6.495 1.00 0.00 C ATOM 641 OD1 ASN A 39 -0.796 15.883 6.840 1.00 0.00 O ATOM 642 ND2 ASN A 39 -1.525 13.780 6.901 1.00 0.00 N ATOM 0 H ASN A 39 -4.334 17.294 3.823 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.555 17.488 6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.742 15.192 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.902 14.764 4.804 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.761 13.496 7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.219 13.095 6.601 1.00 0.00 H new ATOM 649 N PRO A 40 -1.817 18.406 3.597 1.00 0.00 N ATOM 650 CA PRO A 40 -1.097 18.732 2.369 1.00 0.00 C ATOM 651 C PRO A 40 0.416 18.555 2.499 1.00 0.00 C ATOM 652 O PRO A 40 1.093 18.457 1.482 1.00 0.00 O ATOM 653 CB PRO A 40 -1.439 20.192 2.067 1.00 0.00 C ATOM 654 CG PRO A 40 -1.720 20.771 3.451 1.00 0.00 C ATOM 655 CD PRO A 40 -2.416 19.605 4.157 1.00 0.00 C ATOM 0 HA PRO A 40 -1.397 18.056 1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.614 20.706 1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.305 20.276 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.804 21.067 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.357 21.654 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.267 19.652 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.492 19.625 3.983 1.00 0.00 H new ATOM 663 N ASN A 41 0.945 18.496 3.725 1.00 0.00 N ATOM 664 CA ASN A 41 2.347 18.189 3.993 1.00 0.00 C ATOM 665 C ASN A 41 2.701 16.753 3.576 1.00 0.00 C ATOM 666 O ASN A 41 3.876 16.429 3.407 1.00 0.00 O ATOM 667 CB ASN A 41 2.642 18.395 5.491 1.00 0.00 C ATOM 668 CG ASN A 41 3.757 19.406 5.700 1.00 0.00 C ATOM 669 OD1 ASN A 41 4.918 19.031 5.829 1.00 0.00 O ATOM 670 ND2 ASN A 41 3.442 20.688 5.767 1.00 0.00 N ATOM 0 H ASN A 41 0.399 18.663 4.570 1.00 0.00 H new ATOM 0 HA ASN A 41 2.963 18.865 3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.739 18.736 5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.922 17.443 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.170 21.384 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.471 20.981 5.657 1.00 0.00 H new ATOM 677 N GLU A 42 1.698 15.887 3.414 1.00 0.00 N ATOM 678 CA GLU A 42 1.818 14.458 3.154 1.00 0.00 C ATOM 679 C GLU A 42 1.124 14.080 1.835 1.00 0.00 C ATOM 680 O GLU A 42 0.995 12.894 1.535 1.00 0.00 O ATOM 681 CB GLU A 42 1.239 13.682 4.349 1.00 0.00 C ATOM 682 CG GLU A 42 1.908 13.967 5.710 1.00 0.00 C ATOM 683 CD GLU A 42 3.112 13.071 5.999 1.00 0.00 C ATOM 684 OE1 GLU A 42 4.208 13.254 5.421 1.00 0.00 O ATOM 685 OE2 GLU A 42 2.980 12.149 6.836 1.00 0.00 O ATOM 0 H GLU A 42 0.724 16.186 3.465 1.00 0.00 H new ATOM 0 HA GLU A 42 2.869 14.192 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.177 13.913 4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.318 12.615 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.226 15.009 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.171 13.837 6.502 1.00 0.00 H new ATOM 692 N GLY A 43 0.691 15.060 1.030 1.00 0.00 N ATOM 693 CA GLY A 43 -0.066 14.813 -0.192 1.00 0.00 C ATOM 694 C GLY A 43 0.756 14.078 -1.250 1.00 0.00 C ATOM 695 O GLY A 43 0.203 13.299 -2.033 1.00 0.00 O ATOM 0 H GLY A 43 0.860 16.049 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.953 14.227 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.412 15.763 -0.600 1.00 0.00 H new ATOM 699 N GLU A 44 2.081 14.249 -1.258 1.00 0.00 N ATOM 700 CA GLU A 44 2.959 13.452 -2.116 1.00 0.00 C ATOM 701 C GLU A 44 3.055 12.028 -1.583 1.00 0.00 C ATOM 702 O GLU A 44 3.095 11.086 -2.368 1.00 0.00 O ATOM 703 CB GLU A 44 4.363 14.054 -2.218 1.00 0.00 C ATOM 704 CG GLU A 44 4.352 15.347 -3.036 1.00 0.00 C ATOM 705 CD GLU A 44 5.720 16.013 -3.118 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.738 15.439 -2.667 1.00 0.00 O ATOM 707 OE2 GLU A 44 5.774 17.145 -3.639 1.00 0.00 O ATOM 0 H GLU A 44 2.568 14.933 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 44 2.522 13.448 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.749 14.256 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.038 13.334 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.999 15.129 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.641 16.044 -2.593 1.00 0.00 H new ATOM 714 N LYS A 45 3.028 11.838 -0.260 1.00 0.00 N ATOM 715 CA LYS A 45 3.107 10.513 0.347 1.00 0.00 C ATOM 716 C LYS A 45 1.939 9.623 -0.077 1.00 0.00 C ATOM 717 O LYS A 45 2.087 8.402 -0.077 1.00 0.00 O ATOM 718 CB LYS A 45 3.158 10.631 1.876 1.00 0.00 C ATOM 719 CG LYS A 45 3.942 9.446 2.460 1.00 0.00 C ATOM 720 CD LYS A 45 3.489 9.051 3.867 1.00 0.00 C ATOM 721 CE LYS A 45 4.088 10.033 4.865 1.00 0.00 C ATOM 722 NZ LYS A 45 3.841 9.636 6.259 1.00 0.00 N ATOM 0 H LYS A 45 2.951 12.598 0.415 1.00 0.00 H new ATOM 0 HA LYS A 45 4.024 10.043 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.632 11.570 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.147 10.647 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.835 8.587 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.002 9.699 2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.401 9.063 3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.811 8.035 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.162 10.108 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.668 11.024 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.717 10.486 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.980 9.054 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.650 9.087 6.612 1.00 0.00 H new ATOM 736 N PHE A 46 0.810 10.212 -0.481 1.00 0.00 N ATOM 737 CA PHE A 46 -0.297 9.496 -1.111 1.00 0.00 C ATOM 738 C PHE A 46 0.202 8.628 -2.267 1.00 0.00 C ATOM 739 O PHE A 46 -0.211 7.479 -2.392 1.00 0.00 O ATOM 740 CB PHE A 46 -1.366 10.484 -1.605 1.00 0.00 C ATOM 741 CG PHE A 46 -2.795 9.967 -1.535 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.176 8.791 -2.214 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.762 10.673 -0.794 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.491 8.308 -2.117 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.085 10.203 -0.719 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.450 9.016 -1.375 1.00 0.00 C ATOM 0 H PHE A 46 0.639 11.212 -0.377 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.746 8.842 -0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.296 11.398 -1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.142 10.753 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.452 8.258 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.486 11.582 -0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.765 7.390 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.822 10.756 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.464 8.649 -1.309 1.00 0.00 H new ATOM 756 N LYS A 47 1.100 9.162 -3.095 1.00 0.00 N ATOM 757 CA LYS A 47 1.549 8.523 -4.331 1.00 0.00 C ATOM 758 C LYS A 47 2.194 7.166 -4.083 1.00 0.00 C ATOM 759 O LYS A 47 2.031 6.239 -4.872 1.00 0.00 O ATOM 760 CB LYS A 47 2.462 9.498 -5.091 1.00 0.00 C ATOM 761 CG LYS A 47 3.991 9.403 -4.914 1.00 0.00 C ATOM 762 CD LYS A 47 4.655 10.692 -5.432 1.00 0.00 C ATOM 763 CE LYS A 47 6.067 10.440 -5.973 1.00 0.00 C ATOM 764 NZ LYS A 47 6.764 11.708 -6.279 1.00 0.00 N ATOM 0 H LYS A 47 1.542 10.065 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 47 0.684 8.303 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.249 9.384 -6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.163 10.509 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.236 9.253 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.377 8.540 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.038 11.125 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.702 11.424 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.643 9.875 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.009 9.829 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.716 11.502 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.226 12.236 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.840 12.280 -5.414 1.00 0.00 H new ATOM 778 N GLN A 48 2.908 7.042 -2.966 1.00 0.00 N ATOM 779 CA GLN A 48 3.488 5.791 -2.510 1.00 0.00 C ATOM 780 C GLN A 48 2.404 4.762 -2.171 1.00 0.00 C ATOM 781 O GLN A 48 2.632 3.573 -2.397 1.00 0.00 O ATOM 782 CB GLN A 48 4.373 6.065 -1.282 1.00 0.00 C ATOM 783 CG GLN A 48 5.778 6.584 -1.613 1.00 0.00 C ATOM 784 CD GLN A 48 6.718 5.452 -2.026 1.00 0.00 C ATOM 785 OE1 GLN A 48 6.425 4.678 -2.936 1.00 0.00 O ATOM 786 NE2 GLN A 48 7.860 5.308 -1.380 1.00 0.00 N ATOM 0 H GLN A 48 3.100 7.827 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 48 4.093 5.372 -3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.872 6.793 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.466 5.145 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.715 7.316 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.189 7.099 -0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.103 5.950 -0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.499 4.555 -1.635 1.00 0.00 H new ATOM 795 N ILE A 49 1.254 5.190 -1.639 1.00 0.00 N ATOM 796 CA ILE A 49 0.163 4.316 -1.213 1.00 0.00 C ATOM 797 C ILE A 49 -0.413 3.616 -2.438 1.00 0.00 C ATOM 798 O ILE A 49 -0.561 2.394 -2.412 1.00 0.00 O ATOM 799 CB ILE A 49 -0.953 5.067 -0.439 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.401 6.023 0.633 1.00 0.00 C ATOM 801 CG2 ILE A 49 -1.890 4.044 0.234 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.491 6.879 1.282 1.00 0.00 C ATOM 0 H ILE A 49 1.054 6.179 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 49 0.573 3.587 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.493 5.671 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.106 5.443 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.346 6.675 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.674 4.571 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.341 3.408 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.318 3.428 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.043 7.533 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.982 7.483 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.226 6.231 1.760 1.00 0.00 H new ATOM 814 N SER A 50 -0.740 4.357 -3.498 1.00 0.00 N ATOM 815 CA SER A 50 -1.223 3.764 -4.734 1.00 0.00 C ATOM 816 C SER A 50 -0.145 2.858 -5.325 1.00 0.00 C ATOM 817 O SER A 50 -0.437 1.707 -5.641 1.00 0.00 O ATOM 818 CB SER A 50 -1.702 4.850 -5.705 1.00 0.00 C ATOM 819 OG SER A 50 -1.025 6.079 -5.519 1.00 0.00 O ATOM 0 H SER A 50 -0.676 5.375 -3.519 1.00 0.00 H new ATOM 0 HA SER A 50 -2.092 3.138 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.554 4.508 -6.729 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.773 5.005 -5.573 1.00 0.00 H new ATOM 0 HG SER A 50 -0.069 5.909 -5.389 1.00 0.00 H new ATOM 825 N GLN A 51 1.117 3.304 -5.378 1.00 0.00 N ATOM 826 CA GLN A 51 2.223 2.495 -5.882 1.00 0.00 C ATOM 827 C GLN A 51 2.457 1.210 -5.069 1.00 0.00 C ATOM 828 O GLN A 51 3.212 0.346 -5.519 1.00 0.00 O ATOM 829 CB GLN A 51 3.509 3.341 -5.876 1.00 0.00 C ATOM 830 CG GLN A 51 4.397 3.076 -7.093 1.00 0.00 C ATOM 831 CD GLN A 51 3.872 3.849 -8.296 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.018 5.064 -8.342 1.00 0.00 O ATOM 833 NE2 GLN A 51 3.209 3.203 -9.240 1.00 0.00 N ATOM 0 H GLN A 51 1.395 4.236 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 51 1.958 2.186 -6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.243 4.398 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.073 3.130 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.423 3.375 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.416 2.009 -7.315 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.098 2.191 -9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.808 3.717 -10.025 1.00 0.00 H new ATOM 842 N ALA A 52 1.861 1.088 -3.879 1.00 0.00 N ATOM 843 CA ALA A 52 1.888 -0.109 -3.062 1.00 0.00 C ATOM 844 C ALA A 52 0.630 -0.928 -3.282 1.00 0.00 C ATOM 845 O ALA A 52 0.738 -2.109 -3.598 1.00 0.00 O ATOM 846 CB ALA A 52 2.081 0.272 -1.588 1.00 0.00 C ATOM 0 H ALA A 52 1.332 1.849 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 52 2.732 -0.733 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.101 -0.631 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.022 0.809 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.257 0.909 -1.266 1.00 0.00 H new ATOM 852 N TYR A 53 -0.555 -0.330 -3.157 1.00 0.00 N ATOM 853 CA TYR A 53 -1.816 -1.026 -3.363 1.00 0.00 C ATOM 854 C TYR A 53 -1.805 -1.728 -4.716 1.00 0.00 C ATOM 855 O TYR A 53 -2.240 -2.868 -4.824 1.00 0.00 O ATOM 856 CB TYR A 53 -2.982 -0.031 -3.302 1.00 0.00 C ATOM 857 CG TYR A 53 -4.339 -0.685 -3.465 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.944 -1.328 -2.369 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.987 -0.678 -4.714 1.00 0.00 C ATOM 860 CE1 TYR A 53 -6.221 -1.895 -2.509 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.267 -1.235 -4.859 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.902 -1.827 -3.746 1.00 0.00 C ATOM 863 OH TYR A 53 -8.158 -2.335 -3.867 1.00 0.00 O ATOM 0 H TYR A 53 -0.663 0.654 -2.909 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.943 -1.769 -2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.952 0.494 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.852 0.719 -4.083 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.427 -1.385 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.495 -0.240 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.686 -2.386 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.764 -1.211 -5.818 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.477 -2.203 -4.784 1.00 0.00 H new ATOM 873 N GLU A 54 -1.258 -1.061 -5.730 1.00 0.00 N ATOM 874 CA GLU A 54 -1.388 -1.454 -7.121 1.00 0.00 C ATOM 875 C GLU A 54 -0.661 -2.767 -7.391 1.00 0.00 C ATOM 876 O GLU A 54 -1.051 -3.537 -8.266 1.00 0.00 O ATOM 877 CB GLU A 54 -0.797 -0.330 -7.978 1.00 0.00 C ATOM 878 CG GLU A 54 -1.001 -0.544 -9.478 1.00 0.00 C ATOM 879 CD GLU A 54 -2.473 -0.494 -9.917 1.00 0.00 C ATOM 880 OE1 GLU A 54 -3.352 -0.050 -9.139 1.00 0.00 O ATOM 881 OE2 GLU A 54 -2.758 -0.888 -11.072 1.00 0.00 O ATOM 0 H GLU A 54 -0.702 -0.216 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.438 -1.612 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.252 0.617 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.270 -0.247 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.443 0.217 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.581 -1.510 -9.758 1.00 0.00 H new ATOM 888 N VAL A 55 0.422 -3.020 -6.660 1.00 0.00 N ATOM 889 CA VAL A 55 1.227 -4.214 -6.859 1.00 0.00 C ATOM 890 C VAL A 55 0.394 -5.364 -6.323 1.00 0.00 C ATOM 891 O VAL A 55 0.303 -6.411 -6.958 1.00 0.00 O ATOM 892 CB VAL A 55 2.588 -4.119 -6.141 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.657 -4.976 -6.833 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.052 -2.678 -6.025 1.00 0.00 C ATOM 0 H VAL A 55 0.761 -2.406 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 55 1.469 -4.352 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 55 2.445 -4.513 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.602 -4.882 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.342 -6.020 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.787 -4.636 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.014 -2.646 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.155 -2.248 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.320 -2.105 -5.456 1.00 0.00 H new ATOM 904 N LEU A 56 -0.227 -5.191 -5.156 1.00 0.00 N ATOM 905 CA LEU A 56 -1.009 -6.250 -4.574 1.00 0.00 C ATOM 906 C LEU A 56 -2.343 -6.456 -5.305 1.00 0.00 C ATOM 907 O LEU A 56 -2.869 -7.567 -5.300 1.00 0.00 O ATOM 908 CB LEU A 56 -1.235 -5.950 -3.095 1.00 0.00 C ATOM 909 CG LEU A 56 0.000 -5.946 -2.170 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.811 -7.239 -2.240 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.915 -4.742 -2.135 1.00 0.00 C ATOM 0 H LEU A 56 -0.197 -4.331 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.455 -7.183 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.714 -4.974 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.942 -6.683 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.516 -5.865 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.665 -7.170 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.182 -8.079 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.165 -7.392 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.726 -4.922 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.330 -4.571 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.349 -3.864 -1.822 1.00 0.00 H new ATOM 923 N SER A 57 -2.894 -5.405 -5.913 1.00 0.00 N ATOM 924 CA SER A 57 -4.241 -5.358 -6.469 1.00 0.00 C ATOM 925 C SER A 57 -4.425 -6.244 -7.710 1.00 0.00 C ATOM 926 O SER A 57 -5.554 -6.623 -8.031 1.00 0.00 O ATOM 927 CB SER A 57 -4.540 -3.888 -6.794 1.00 0.00 C ATOM 928 OG SER A 57 -5.904 -3.667 -7.057 1.00 0.00 O ATOM 0 H SER A 57 -2.390 -4.527 -6.035 1.00 0.00 H new ATOM 0 HA SER A 57 -4.941 -5.758 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.227 -3.262 -5.958 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.951 -3.582 -7.659 1.00 0.00 H new ATOM 0 HG SER A 57 -6.232 -2.936 -6.493 1.00 0.00 H new ATOM 934 N ASP A 58 -3.341 -6.558 -8.419 1.00 0.00 N ATOM 935 CA ASP A 58 -3.325 -7.368 -9.634 1.00 0.00 C ATOM 936 C ASP A 58 -2.808 -8.735 -9.242 1.00 0.00 C ATOM 937 O ASP A 58 -1.708 -8.779 -8.697 1.00 0.00 O ATOM 938 CB ASP A 58 -2.317 -6.758 -10.612 1.00 0.00 C ATOM 939 CG ASP A 58 -2.309 -7.383 -12.004 1.00 0.00 C ATOM 940 OD1 ASP A 58 -3.261 -8.105 -12.378 1.00 0.00 O ATOM 941 OD2 ASP A 58 -1.314 -7.168 -12.731 1.00 0.00 O ATOM 0 H ASP A 58 -2.410 -6.240 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.315 -7.418 -10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.527 -5.693 -10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.319 -6.848 -10.184 1.00 0.00 H new ATOM 946 N ALA A 59 -3.525 -9.835 -9.483 1.00 0.00 N ATOM 947 CA ALA A 59 -2.998 -11.146 -9.113 1.00 0.00 C ATOM 948 C ALA A 59 -1.642 -11.400 -9.778 1.00 0.00 C ATOM 949 O ALA A 59 -0.753 -11.899 -9.104 1.00 0.00 O ATOM 950 CB ALA A 59 -3.983 -12.282 -9.403 1.00 0.00 C ATOM 0 H ALA A 59 -4.446 -9.845 -9.920 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.852 -11.134 -8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.539 -13.233 -9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.901 -12.120 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.211 -12.303 -10.469 1.00 0.00 H new ATOM 956 N LYS A 60 -1.419 -11.006 -11.039 1.00 0.00 N ATOM 957 CA LYS A 60 -0.144 -11.156 -11.716 1.00 0.00 C ATOM 958 C LYS A 60 0.984 -10.483 -10.936 1.00 0.00 C ATOM 959 O LYS A 60 1.996 -11.118 -10.642 1.00 0.00 O ATOM 960 CB LYS A 60 -0.285 -10.585 -13.126 1.00 0.00 C ATOM 961 CG LYS A 60 -0.843 -11.580 -14.147 1.00 0.00 C ATOM 962 CD LYS A 60 -0.634 -11.052 -15.571 1.00 0.00 C ATOM 963 CE LYS A 60 -1.396 -11.820 -16.661 1.00 0.00 C ATOM 964 NZ LYS A 60 -1.263 -13.290 -16.576 1.00 0.00 N ATOM 0 H LYS A 60 -2.136 -10.569 -11.618 1.00 0.00 H new ATOM 0 HA LYS A 60 0.123 -12.211 -11.778 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.937 -9.712 -13.090 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.691 -10.239 -13.466 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.349 -12.545 -14.033 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.905 -11.743 -13.964 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.938 -10.006 -15.604 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.431 -11.082 -15.802 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.453 -11.559 -16.602 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.040 -11.491 -17.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.805 -13.733 -17.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.261 -13.553 -16.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.629 -13.619 -15.660 1.00 0.00 H new ATOM 978 N LYS A 61 0.833 -9.200 -10.589 1.00 0.00 N ATOM 979 CA LYS A 61 1.836 -8.520 -9.772 1.00 0.00 C ATOM 980 C LYS A 61 1.926 -9.169 -8.392 1.00 0.00 C ATOM 981 O LYS A 61 3.033 -9.303 -7.870 1.00 0.00 O ATOM 982 CB LYS A 61 1.535 -7.021 -9.644 1.00 0.00 C ATOM 983 CG LYS A 61 1.638 -6.215 -10.948 1.00 0.00 C ATOM 984 CD LYS A 61 2.514 -4.956 -10.812 1.00 0.00 C ATOM 985 CE LYS A 61 1.676 -3.715 -10.471 1.00 0.00 C ATOM 986 NZ LYS A 61 2.522 -2.546 -10.136 1.00 0.00 N ATOM 0 H LYS A 61 0.037 -8.621 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 61 2.799 -8.622 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.529 -6.903 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.222 -6.591 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.048 -6.853 -11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.638 -5.922 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.262 -5.115 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.054 -4.786 -11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.035 -3.467 -11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.021 -3.941 -9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.916 -1.731 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.116 -2.772 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.129 -2.313 -10.947 1.00 0.00 H new ATOM 1000 N ARG A 62 0.800 -9.545 -7.778 1.00 0.00 N ATOM 1001 CA ARG A 62 0.802 -10.247 -6.482 1.00 0.00 C ATOM 1002 C ARG A 62 1.601 -11.552 -6.512 1.00 0.00 C ATOM 1003 O ARG A 62 2.359 -11.790 -5.575 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.628 -10.439 -5.942 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.778 -10.113 -4.454 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.156 -11.114 -3.494 1.00 0.00 C ATOM 1007 NE ARG A 62 -0.596 -10.892 -2.108 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.437 -11.649 -1.397 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.007 -12.743 -1.895 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.717 -11.285 -0.151 1.00 0.00 N ATOM 0 H ARG A 62 -0.132 -9.376 -8.157 1.00 0.00 H new ATOM 0 HA ARG A 62 1.326 -9.602 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.309 -9.808 -6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.934 -11.472 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.334 -9.135 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.840 -10.029 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.422 -12.125 -3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.930 -11.040 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.218 -10.070 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.807 -13.031 -2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.644 -13.294 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.293 -10.445 0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.356 -11.846 0.413 1.00 0.00 H new ATOM 1024 N GLU A 63 1.476 -12.379 -7.550 1.00 0.00 N ATOM 1025 CA GLU A 63 2.208 -13.638 -7.656 1.00 0.00 C ATOM 1026 C GLU A 63 3.702 -13.361 -7.769 1.00 0.00 C ATOM 1027 O GLU A 63 4.490 -13.934 -7.022 1.00 0.00 O ATOM 1028 CB GLU A 63 1.755 -14.482 -8.858 1.00 0.00 C ATOM 1029 CG GLU A 63 0.295 -14.950 -8.775 1.00 0.00 C ATOM 1030 CD GLU A 63 0.094 -16.338 -9.373 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.069 -16.447 -10.628 1.00 0.00 O ATOM 1032 OE2 GLU A 63 -0.138 -17.285 -8.587 1.00 0.00 O ATOM 0 H GLU A 63 0.862 -12.193 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 63 1.995 -14.209 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.888 -13.899 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.402 -15.355 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.022 -14.957 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.342 -14.237 -9.297 1.00 0.00 H new ATOM 1039 N LEU A 64 4.099 -12.469 -8.682 1.00 0.00 N ATOM 1040 CA LEU A 64 5.512 -12.154 -8.868 1.00 0.00 C ATOM 1041 C LEU A 64 6.100 -11.592 -7.579 1.00 0.00 C ATOM 1042 O LEU A 64 7.233 -11.918 -7.252 1.00 0.00 O ATOM 1043 CB LEU A 64 5.722 -11.191 -10.050 1.00 0.00 C ATOM 1044 CG LEU A 64 6.051 -11.933 -11.360 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.946 -12.905 -11.785 1.00 0.00 C ATOM 1046 CD2 LEU A 64 6.295 -10.915 -12.479 1.00 0.00 C ATOM 0 H LEU A 64 3.466 -11.958 -9.297 1.00 0.00 H new ATOM 0 HA LEU A 64 6.040 -13.076 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.823 -10.591 -10.191 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.532 -10.501 -9.813 1.00 0.00 H new ATOM 0 HG LEU A 64 6.948 -12.524 -11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.233 -13.399 -12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.801 -13.654 -11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.017 -12.356 -11.938 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.528 -11.441 -13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.400 -10.309 -12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.131 -10.270 -12.208 1.00 0.00 H new ATOM 1058 N TYR A 65 5.357 -10.758 -6.854 1.00 0.00 N ATOM 1059 CA TYR A 65 5.729 -10.183 -5.566 1.00 0.00 C ATOM 1060 C TYR A 65 5.932 -11.229 -4.477 1.00 0.00 C ATOM 1061 O TYR A 65 6.870 -11.105 -3.689 1.00 0.00 O ATOM 1062 CB TYR A 65 4.652 -9.181 -5.173 1.00 0.00 C ATOM 1063 CG TYR A 65 4.692 -8.694 -3.744 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.632 -7.722 -3.359 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.757 -9.188 -2.813 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.617 -7.212 -2.052 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.755 -8.696 -1.498 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.666 -7.686 -1.122 1.00 0.00 C ATOM 1069 OH TYR A 65 4.602 -7.143 0.120 1.00 0.00 O ATOM 0 H TYR A 65 4.435 -10.451 -7.165 1.00 0.00 H new ATOM 0 HA TYR A 65 6.696 -9.690 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.729 -8.317 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.678 -9.635 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.365 -7.368 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.044 -9.943 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.332 -6.458 -1.758 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.057 -9.090 -0.775 1.00 0.00 H new ATOM 0 HH TYR A 65 3.892 -7.583 0.633 1.00 0.00 H new ATOM 1079 N ASP A 66 5.089 -12.259 -4.432 1.00 0.00 N ATOM 1080 CA ASP A 66 5.176 -13.344 -3.454 1.00 0.00 C ATOM 1081 C ASP A 66 6.550 -14.017 -3.493 1.00 0.00 C ATOM 1082 O ASP A 66 7.096 -14.399 -2.458 1.00 0.00 O ATOM 1083 CB ASP A 66 4.074 -14.358 -3.760 1.00 0.00 C ATOM 1084 CG ASP A 66 3.973 -15.451 -2.702 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.527 -15.181 -1.562 1.00 0.00 O ATOM 1086 OD2 ASP A 66 4.267 -16.621 -3.051 1.00 0.00 O ATOM 0 H ASP A 66 4.313 -12.366 -5.085 1.00 0.00 H new ATOM 0 HA ASP A 66 5.044 -12.938 -2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.118 -13.839 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.265 -14.814 -4.731 1.00 0.00 H new ATOM 1091 N LYS A 67 7.152 -14.078 -4.684 1.00 0.00 N ATOM 1092 CA LYS A 67 8.437 -14.732 -4.952 1.00 0.00 C ATOM 1093 C LYS A 67 9.479 -13.827 -5.629 1.00 0.00 C ATOM 1094 O LYS A 67 10.374 -14.352 -6.299 1.00 0.00 O ATOM 1095 CB LYS A 67 8.185 -16.024 -5.744 1.00 0.00 C ATOM 1096 CG LYS A 67 7.444 -15.778 -7.071 1.00 0.00 C ATOM 1097 CD LYS A 67 7.777 -16.831 -8.128 1.00 0.00 C ATOM 1098 CE LYS A 67 9.192 -16.626 -8.697 1.00 0.00 C ATOM 1099 NZ LYS A 67 9.991 -17.874 -8.707 1.00 0.00 N ATOM 0 H LYS A 67 6.743 -13.658 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 67 8.888 -14.973 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.139 -16.509 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.603 -16.712 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.369 -15.777 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.704 -14.790 -7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.700 -17.826 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.047 -16.781 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.118 -16.239 -9.713 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.711 -15.872 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.934 -17.679 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.088 -18.232 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.513 -18.588 -9.293 1.00 0.00 H new ATOM 1113 N GLY A 68 9.403 -12.501 -5.508 1.00 0.00 N ATOM 1114 CA GLY A 68 10.351 -11.635 -6.206 1.00 0.00 C ATOM 1115 C GLY A 68 9.998 -10.155 -6.134 1.00 0.00 C ATOM 1116 O GLY A 68 10.705 -9.383 -5.491 1.00 0.00 O ATOM 0 H GLY A 68 8.708 -12.011 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.344 -11.783 -5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.402 -11.936 -7.252 1.00 0.00 H new ATOM 1120 N GLY A 69 8.938 -9.755 -6.840 1.00 0.00 N ATOM 1121 CA GLY A 69 8.457 -8.377 -6.969 1.00 0.00 C ATOM 1122 C GLY A 69 9.080 -7.610 -8.133 1.00 0.00 C ATOM 1123 O GLY A 69 8.575 -6.551 -8.518 1.00 0.00 O ATOM 0 H GLY A 69 8.363 -10.416 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.374 -8.391 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.664 -7.842 -6.042 1.00 0.00 H new ATOM 1127 N GLU A 70 10.144 -8.138 -8.737 1.00 0.00 N ATOM 1128 CA GLU A 70 10.998 -7.405 -9.657 1.00 0.00 C ATOM 1129 C GLU A 70 11.501 -8.306 -10.791 1.00 0.00 C ATOM 1130 O GLU A 70 12.406 -7.918 -11.527 1.00 0.00 O ATOM 1131 CB GLU A 70 12.086 -6.676 -8.844 1.00 0.00 C ATOM 1132 CG GLU A 70 12.543 -5.399 -9.564 1.00 0.00 C ATOM 1133 CD GLU A 70 13.091 -4.327 -8.623 1.00 0.00 C ATOM 1134 OE1 GLU A 70 12.502 -4.056 -7.550 1.00 0.00 O ATOM 1135 OE2 GLU A 70 14.023 -3.606 -9.031 1.00 0.00 O ATOM 0 H GLU A 70 10.438 -9.104 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 70 10.440 -6.631 -10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.700 -6.423 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.938 -7.338 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.311 -5.658 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.702 -4.986 -10.121 1.00 0.00 H new ATOM 1142 N GLN A 71 10.795 -9.431 -10.994 1.00 0.00 N ATOM 1143 CA GLN A 71 10.880 -10.391 -12.089 1.00 0.00 C ATOM 1144 C GLN A 71 12.103 -11.275 -11.933 1.00 0.00 C ATOM 1145 O GLN A 71 11.937 -12.365 -11.344 1.00 0.00 O ATOM 1146 CB GLN A 71 10.827 -9.695 -13.464 1.00 0.00 C ATOM 1147 CG GLN A 71 9.687 -8.678 -13.623 1.00 0.00 C ATOM 1148 CD GLN A 71 9.790 -7.919 -14.950 1.00 0.00 C ATOM 1149 OE1 GLN A 71 10.575 -8.258 -15.834 1.00 0.00 O ATOM 1150 NE2 GLN A 71 9.001 -6.875 -15.128 1.00 0.00 N ATOM 0 H GLN A 71 10.080 -9.712 -10.323 1.00 0.00 H new ATOM 0 HA GLN A 71 10.004 -11.038 -12.042 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.776 -9.187 -13.636 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.728 -10.456 -14.238 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.728 -9.194 -13.572 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.712 -7.970 -12.795 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.351 -6.596 -14.393 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.042 -6.348 -16.000 1.00 0.00 H new TER 1159 GLN A 71