USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 724 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 116 ASN : amide:sc= -4.63! K(o=-7.8!,f=-5.3) USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.21 K(o=-7.8,f=-6.9) USER MOD Set 2.1: A 73 SER OG : rot -130:sc= -0.06 USER MOD Set 2.2: A 101 THR OG1 : rot 150:sc= 0.0505 USER MOD Set 3.1: A 5 TYR OH : rot -18:sc= 0.706 USER MOD Set 3.2: A 57 TYR OH : rot -56:sc= 2.59 USER MOD Set 4.1: A 7 ASN : amide:sc= -4.14! C(o=-5.3!,f=-5.2!) USER MOD Set 4.2: A 10 THR OG1 : rot -178:sc= -1.12 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.449 K(o=-0.45,f=-1.5!) USER MOD Single : A 18 MET CE :methyl 148:sc= -0.313 (180deg=-1.13) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 19:sc= -0.318 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 40 MET CE :methyl -113:sc= -7.71! (180deg=-12.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= -0.07 (180deg=-0.573) USER MOD Single : A 82 MET CE :methyl 168:sc= -0.176 (180deg=-0.467) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 1.08 (180deg=1.03) USER MOD Single : A 102 CYS SG : rot 180:sc= 0.0624 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -22:sc= 0.271 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.487 7.058 31.567 1.00 3.92 N ATOM 2 CA PRO A 1 2.814 7.290 30.261 1.00 3.44 C ATOM 3 C PRO A 1 1.715 8.345 30.411 1.00 3.50 C ATOM 4 O PRO A 1 0.596 8.042 30.775 1.00 4.94 O ATOM 5 CB PRO A 1 2.217 5.933 29.909 1.00 2.00 C ATOM 6 CG PRO A 1 2.037 5.240 31.220 1.00 4.99 C ATOM 7 CD PRO A 1 3.089 5.776 32.156 1.00 3.38 C ATOM 0 H2 PRO A 1 3.256 7.816 32.210 1.00 3.92 H new ATOM 0 H3 PRO A 1 4.499 7.075 31.438 1.00 3.92 H new ATOM 0 HA PRO A 1 3.493 7.659 29.492 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.267 6.043 29.387 1.00 2.00 H new ATOM 0 HB3 PRO A 1 2.879 5.369 29.252 1.00 2.00 H new ATOM 0 HG2 PRO A 1 1.039 5.423 31.618 1.00 4.99 H new ATOM 0 HG3 PRO A 1 2.140 4.161 31.102 1.00 4.99 H new ATOM 0 HD2 PRO A 1 2.694 5.908 33.163 1.00 3.38 H new ATOM 0 HD3 PRO A 1 3.936 5.095 32.233 1.00 3.38 H new ATOM 17 N THR A 2 2.026 9.582 30.136 1.00 3.08 N ATOM 18 CA THR A 2 0.996 10.653 30.268 1.00 2.08 C ATOM 19 C THR A 2 0.774 11.352 28.925 1.00 2.52 C ATOM 20 O THR A 2 1.691 11.544 28.152 1.00 2.28 O ATOM 21 CB THR A 2 1.573 11.632 31.292 1.00 3.47 C ATOM 22 OG1 THR A 2 1.713 10.975 32.544 1.00 3.73 O ATOM 23 CG2 THR A 2 0.632 12.828 31.443 1.00 3.09 C ATOM 0 H THR A 2 2.945 9.898 29.827 1.00 3.08 H new ATOM 0 HA THR A 2 0.030 10.256 30.579 1.00 2.08 H new ATOM 0 HB THR A 2 2.548 11.981 30.953 1.00 3.47 H new ATOM 0 HG1 THR A 2 2.084 11.600 33.202 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.044 13.525 32.173 1.00 3.09 H new ATOM 0 HG22 THR A 2 0.525 13.330 30.482 1.00 3.09 H new ATOM 0 HG23 THR A 2 -0.344 12.482 31.782 1.00 3.09 H new ATOM 31 N VAL A 3 -0.441 11.739 28.647 1.00 10.00 N ATOM 32 CA VAL A 3 -0.734 12.434 27.361 1.00 10.00 C ATOM 33 C VAL A 3 -1.576 13.684 27.630 1.00 10.00 C ATOM 34 O VAL A 3 -2.624 13.616 28.238 1.00 10.00 O ATOM 35 CB VAL A 3 -1.524 11.420 26.533 1.00 10.00 C ATOM 36 CG1 VAL A 3 -1.957 12.064 25.215 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.643 10.204 26.240 1.00 10.00 C ATOM 0 H VAL A 3 -1.247 11.603 29.258 1.00 10.00 H new ATOM 0 HA VAL A 3 0.170 12.759 26.845 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.406 11.105 27.091 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.520 11.341 24.625 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.585 12.931 25.422 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.075 12.380 24.657 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.206 9.481 25.650 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.239 10.520 25.683 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.334 9.744 27.179 1.00 10.00 H new ATOM 47 N GLU A 4 -1.123 14.827 27.194 1.00 10.00 N ATOM 48 CA GLU A 4 -1.900 16.076 27.442 1.00 10.00 C ATOM 49 C GLU A 4 -2.987 16.261 26.380 1.00 10.00 C ATOM 50 O GLU A 4 -2.711 16.320 25.198 1.00 10.00 O ATOM 51 CB GLU A 4 -0.873 17.204 27.357 1.00 50.00 C ATOM 52 CG GLU A 4 -1.024 18.121 28.572 1.00 50.00 C ATOM 53 CD GLU A 4 0.209 19.018 28.691 1.00 50.00 C ATOM 54 OE1 GLU A 4 1.154 18.795 27.953 1.00 50.00 O ATOM 55 OE2 GLU A 4 0.188 19.913 29.520 1.00 50.00 O ATOM 0 H GLU A 4 -0.252 14.951 26.678 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.408 16.053 28.406 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.135 16.791 27.322 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -1.016 17.773 26.438 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -1.922 18.731 28.471 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -1.143 17.526 29.477 1.00 50.00 H new ATOM 62 N TYR A 5 -4.223 16.359 26.793 1.00 10.00 N ATOM 63 CA TYR A 5 -5.326 16.547 25.805 1.00 10.00 C ATOM 64 C TYR A 5 -5.770 18.013 25.778 1.00 10.00 C ATOM 65 O TYR A 5 -5.933 18.641 26.806 1.00 10.00 O ATOM 66 CB TYR A 5 -6.462 15.652 26.300 1.00 10.00 C ATOM 67 CG TYR A 5 -6.969 16.165 27.627 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.957 17.156 27.666 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.450 15.648 28.819 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.426 17.629 28.898 1.00 50.00 C ATOM 71 CE2 TYR A 5 -6.918 16.120 30.050 1.00 50.00 C ATOM 72 CZ TYR A 5 -7.906 17.110 30.090 1.00 50.00 C ATOM 73 OH TYR A 5 -8.367 17.575 31.305 1.00 50.00 O ATOM 0 H TYR A 5 -4.516 16.317 27.769 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.018 16.290 24.791 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.272 15.638 25.571 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.110 14.626 26.406 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.358 17.556 26.746 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -5.687 14.884 28.789 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.188 18.394 28.929 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.517 15.720 30.970 1.00 50.00 H new ATOM 0 HH TYR A 5 -8.820 18.434 31.176 1.00 50.00 H new ATOM 83 N LEU A 6 -5.965 18.563 24.610 1.00 10.00 N ATOM 84 CA LEU A 6 -6.396 19.989 24.515 1.00 10.00 C ATOM 85 C LEU A 6 -7.592 20.118 23.566 1.00 10.00 C ATOM 86 O LEU A 6 -7.534 19.715 22.421 1.00 10.00 O ATOM 87 CB LEU A 6 -5.183 20.728 23.950 1.00 12.50 C ATOM 88 CG LEU A 6 -4.850 21.927 24.841 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.736 22.750 24.192 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.094 22.801 25.010 1.00 50.00 C ATOM 0 H LEU A 6 -5.845 18.087 23.716 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.710 20.392 25.478 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.328 20.055 23.895 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.390 21.064 22.934 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.520 21.572 25.817 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.498 23.604 24.826 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.848 22.129 24.071 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.067 23.104 23.216 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.856 23.654 25.645 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.425 23.156 24.034 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.889 22.216 25.472 1.00 50.00 H new ATOM 102 N ASN A 7 -8.677 20.677 24.032 1.00 10.00 N ATOM 103 CA ASN A 7 -9.876 20.830 23.157 1.00 10.00 C ATOM 104 C ASN A 7 -9.536 21.674 21.927 1.00 10.00 C ATOM 105 O ASN A 7 -9.181 22.831 22.034 1.00 10.00 O ATOM 106 CB ASN A 7 -10.912 21.545 24.025 1.00 10.00 C ATOM 107 CG ASN A 7 -12.273 21.512 23.326 1.00 10.00 C ATOM 108 OD1 ASN A 7 -12.584 20.574 22.621 1.00 12.50 O ATOM 109 ND2 ASN A 7 -13.103 22.506 23.494 1.00 12.50 N ATOM 0 H ASN A 7 -8.785 21.034 24.981 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.240 19.870 22.790 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -10.980 21.063 25.000 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -10.606 22.576 24.200 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -14.013 22.494 23.033 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.842 23.294 24.086 1.00 12.50 H new ATOM 116 N TYR A 8 -9.647 21.105 20.758 1.00 50.00 N ATOM 117 CA TYR A 8 -9.338 21.878 19.523 1.00 50.00 C ATOM 118 C TYR A 8 -10.227 23.122 19.455 1.00 50.00 C ATOM 119 O TYR A 8 -9.858 24.131 18.887 1.00 50.00 O ATOM 120 CB TYR A 8 -9.649 20.924 18.370 1.00 50.00 C ATOM 121 CG TYR A 8 -9.600 21.679 17.064 1.00 50.00 C ATOM 122 CD1 TYR A 8 -8.514 22.516 16.778 1.00 50.00 C ATOM 123 CD2 TYR A 8 -10.641 21.542 16.140 1.00 50.00 C ATOM 124 CE1 TYR A 8 -8.471 23.216 15.566 1.00 50.00 C ATOM 125 CE2 TYR A 8 -10.598 22.241 14.928 1.00 50.00 C ATOM 126 CZ TYR A 8 -9.513 23.078 14.641 1.00 50.00 C ATOM 127 OH TYR A 8 -9.470 23.768 13.447 1.00 50.00 O ATOM 0 H TYR A 8 -9.938 20.139 20.605 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.304 22.222 19.491 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -8.929 20.106 18.357 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -10.634 20.479 18.508 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -7.710 22.621 17.492 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -11.478 20.897 16.362 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -7.634 23.862 15.345 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -11.402 22.135 14.214 1.00 50.00 H new ATOM 0 HH TYR A 8 -10.269 23.559 12.920 1.00 50.00 H new ATOM 137 N GLU A 9 -11.393 23.061 20.041 1.00 25.00 N ATOM 138 CA GLU A 9 -12.299 24.243 20.021 1.00 25.00 C ATOM 139 C GLU A 9 -11.677 25.379 20.836 1.00 25.00 C ATOM 140 O GLU A 9 -11.748 26.534 20.467 1.00 25.00 O ATOM 141 CB GLU A 9 -13.598 23.763 20.670 1.00 50.00 C ATOM 142 CG GLU A 9 -14.767 24.606 20.155 1.00 50.00 C ATOM 143 CD GLU A 9 -15.270 25.519 21.276 1.00 50.00 C ATOM 144 OE1 GLU A 9 -14.450 26.188 21.881 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.468 25.532 21.509 1.00 50.00 O ATOM 0 H GLU A 9 -11.756 22.244 20.532 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.471 24.622 19.014 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.765 22.711 20.440 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.527 23.844 21.755 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.450 25.203 19.300 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -15.573 23.958 19.810 1.00 50.00 H new ATOM 152 N THR A 10 -11.059 25.054 21.939 1.00 50.00 N ATOM 153 CA THR A 10 -10.421 26.109 22.775 1.00 50.00 C ATOM 154 C THR A 10 -9.311 26.798 21.977 1.00 50.00 C ATOM 155 O THR A 10 -8.965 27.935 22.228 1.00 50.00 O ATOM 156 CB THR A 10 -9.839 25.362 23.977 1.00 50.00 C ATOM 157 OG1 THR A 10 -10.888 24.712 24.682 1.00 50.00 O ATOM 158 CG2 THR A 10 -9.134 26.351 24.906 1.00 50.00 C ATOM 0 H THR A 10 -10.969 24.103 22.297 1.00 50.00 H new ATOM 0 HA THR A 10 -11.124 26.883 23.083 1.00 50.00 H new ATOM 0 HB THR A 10 -9.120 24.621 23.629 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.521 24.258 25.469 1.00 50.00 H new ATOM 0 HG21 THR A 10 -8.721 25.816 25.761 1.00 50.00 H new ATOM 0 HG22 THR A 10 -8.329 26.848 24.365 1.00 50.00 H new ATOM 0 HG23 THR A 10 -9.849 27.095 25.255 1.00 50.00 H new ATOM 166 N LEU A 11 -8.756 26.116 21.012 1.00 50.00 N ATOM 167 CA LEU A 11 -7.672 26.728 20.190 1.00 50.00 C ATOM 168 C LEU A 11 -8.231 27.895 19.375 1.00 50.00 C ATOM 169 O LEU A 11 -7.621 28.941 19.268 1.00 50.00 O ATOM 170 CB LEU A 11 -7.195 25.608 19.265 1.00 50.00 C ATOM 171 CG LEU A 11 -6.142 26.157 18.300 1.00 50.00 C ATOM 172 CD1 LEU A 11 -5.098 26.955 19.085 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.458 24.995 17.577 1.00 50.00 C ATOM 0 H LEU A 11 -9.006 25.161 20.757 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.860 27.123 20.801 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.775 24.791 19.852 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -8.037 25.199 18.707 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.622 26.807 17.569 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.347 27.346 18.398 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -5.585 27.783 19.601 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.617 26.305 19.816 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.708 25.385 16.889 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.977 24.344 18.308 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -6.201 24.426 17.018 1.00 50.00 H new ATOM 185 N ASP A 12 -9.391 27.726 18.802 1.00 50.00 N ATOM 186 CA ASP A 12 -9.994 28.826 17.999 1.00 50.00 C ATOM 187 C ASP A 12 -10.599 29.879 18.929 1.00 50.00 C ATOM 188 O ASP A 12 -10.300 31.052 18.834 1.00 50.00 O ATOM 189 CB ASP A 12 -11.086 28.156 17.165 1.00 50.00 C ATOM 190 CG ASP A 12 -10.466 27.558 15.901 1.00 50.00 C ATOM 191 OD1 ASP A 12 -9.255 27.623 15.770 1.00 50.00 O ATOM 192 OD2 ASP A 12 -11.214 27.043 15.085 1.00 50.00 O ATOM 0 H ASP A 12 -9.947 26.873 18.856 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.260 29.334 17.373 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -11.576 27.375 17.747 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.853 28.883 16.898 1.00 50.00 H new ATOM 197 N ASP A 13 -11.447 29.466 19.832 1.00 50.00 N ATOM 198 CA ASP A 13 -12.068 30.442 20.771 1.00 50.00 C ATOM 199 C ASP A 13 -10.982 31.292 21.435 1.00 50.00 C ATOM 200 O ASP A 13 -10.992 32.504 21.355 1.00 50.00 O ATOM 201 CB ASP A 13 -12.790 29.588 21.812 1.00 50.00 C ATOM 202 CG ASP A 13 -13.802 30.452 22.567 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.707 30.964 21.928 1.00 50.00 O ATOM 204 OD2 ASP A 13 -13.654 30.588 23.770 1.00 50.00 O ATOM 0 H ASP A 13 -11.736 28.496 19.959 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.749 31.128 20.266 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -13.298 28.755 21.326 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -12.070 29.159 22.509 1.00 50.00 H new ATOM 209 N GLN A 14 -10.043 30.664 22.088 1.00 50.00 N ATOM 210 CA GLN A 14 -8.955 31.435 22.752 1.00 50.00 C ATOM 211 C GLN A 14 -8.126 32.180 21.704 1.00 50.00 C ATOM 212 O GLN A 14 -7.416 33.117 22.010 1.00 50.00 O ATOM 213 CB GLN A 14 -8.102 30.386 23.464 1.00 50.00 C ATOM 214 CG GLN A 14 -7.179 31.077 24.469 1.00 50.00 C ATOM 215 CD GLN A 14 -7.559 30.653 25.889 1.00 50.00 C ATOM 216 OE1 GLN A 14 -8.605 31.020 26.385 1.00 50.00 O ATOM 217 NE2 GLN A 14 -6.747 29.891 26.569 1.00 50.00 N ATOM 0 H GLN A 14 -9.982 29.651 22.190 1.00 50.00 H new ATOM 0 HA GLN A 14 -9.340 32.183 23.445 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -8.742 29.668 23.976 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -7.513 29.827 22.737 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -6.141 30.814 24.265 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -7.259 32.159 24.368 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -5.868 29.583 26.153 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -6.991 29.604 27.517 1.00 50.00 H new ATOM 226 N GLY A 15 -8.210 31.769 20.468 1.00 50.00 N ATOM 227 CA GLY A 15 -7.426 32.452 19.401 1.00 50.00 C ATOM 228 C GLY A 15 -5.932 32.252 19.662 1.00 50.00 C ATOM 229 O GLY A 15 -5.127 33.131 19.429 1.00 50.00 O ATOM 0 H GLY A 15 -8.787 30.990 20.151 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.693 32.049 18.424 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.664 33.515 19.383 1.00 50.00 H new ATOM 233 N TRP A 16 -5.556 31.100 20.147 1.00 50.00 N ATOM 234 CA TRP A 16 -4.114 30.843 20.426 1.00 50.00 C ATOM 235 C TRP A 16 -3.519 29.934 19.347 1.00 50.00 C ATOM 236 O TRP A 16 -4.159 29.617 18.364 1.00 50.00 O ATOM 237 CB TRP A 16 -4.094 30.140 21.782 1.00 50.00 C ATOM 238 CG TRP A 16 -3.387 30.997 22.782 1.00 50.00 C ATOM 239 CD1 TRP A 16 -2.456 30.559 23.660 1.00 50.00 C ATOM 240 CD2 TRP A 16 -3.536 32.426 23.023 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.024 31.628 24.425 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.660 32.801 24.070 1.00 50.00 C ATOM 243 CE3 TRP A 16 -4.338 33.424 22.441 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.582 34.118 24.523 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -4.262 34.752 22.895 1.00 50.00 C ATOM 246 CH2 TRP A 16 -3.386 35.097 23.933 1.00 50.00 C ATOM 0 H TRP A 16 -6.184 30.326 20.362 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.526 31.760 20.430 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -5.113 29.941 22.115 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -3.593 29.176 21.696 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -2.107 29.541 23.749 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -1.322 31.558 25.161 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -5.016 33.168 21.640 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -1.906 34.379 25.323 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 -4.882 35.511 22.441 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -3.332 36.119 24.277 1.00 50.00 H new ATOM 257 N ASP A 17 -2.297 29.511 19.526 1.00 50.00 N ATOM 258 CA ASP A 17 -1.660 28.620 18.516 1.00 50.00 C ATOM 259 C ASP A 17 -1.411 27.236 19.120 1.00 50.00 C ATOM 260 O ASP A 17 -1.504 27.046 20.317 1.00 50.00 O ATOM 261 CB ASP A 17 -0.336 29.300 18.166 1.00 50.00 C ATOM 262 CG ASP A 17 -0.615 30.662 17.527 1.00 50.00 C ATOM 263 OD1 ASP A 17 -1.561 30.752 16.762 1.00 50.00 O ATOM 264 OD2 ASP A 17 0.122 31.591 17.814 1.00 50.00 O ATOM 0 H ASP A 17 -1.712 29.744 20.329 1.00 50.00 H new ATOM 0 HA ASP A 17 -2.287 28.476 17.636 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.269 29.425 19.064 1.00 50.00 H new ATOM 0 HB3 ASP A 17 0.236 28.675 17.480 1.00 50.00 H new ATOM 269 N MET A 18 -1.103 26.267 18.304 1.00 50.00 N ATOM 270 CA MET A 18 -0.856 24.895 18.835 1.00 50.00 C ATOM 271 C MET A 18 0.558 24.781 19.415 1.00 50.00 C ATOM 272 O MET A 18 0.777 24.115 20.408 1.00 50.00 O ATOM 273 CB MET A 18 -1.018 23.969 17.630 1.00 50.00 C ATOM 274 CG MET A 18 -0.983 22.514 18.100 1.00 50.00 C ATOM 275 SD MET A 18 -2.184 21.544 17.155 1.00 50.00 S ATOM 276 CE MET A 18 -3.206 21.020 18.554 1.00 50.00 C ATOM 0 H MET A 18 -1.011 26.364 17.293 1.00 50.00 H new ATOM 0 HA MET A 18 -1.543 24.642 19.643 1.00 50.00 H new ATOM 0 HB2 MET A 18 -1.960 24.176 17.122 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.221 24.149 16.909 1.00 50.00 H new ATOM 0 HG2 MET A 18 0.017 22.102 17.968 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.212 22.459 19.164 1.00 50.00 H new ATOM 0 HE1 MET A 18 -4.242 20.919 18.230 1.00 50.00 H new ATOM 0 HE2 MET A 18 -2.848 20.061 18.927 1.00 50.00 H new ATOM 0 HE3 MET A 18 -3.145 21.764 19.348 1.00 50.00 H new ATOM 286 N ASP A 19 1.523 25.414 18.803 1.00 50.00 N ATOM 287 CA ASP A 19 2.919 25.322 19.324 1.00 50.00 C ATOM 288 C ASP A 19 3.508 26.718 19.555 1.00 50.00 C ATOM 289 O ASP A 19 4.560 26.865 20.145 1.00 50.00 O ATOM 290 CB ASP A 19 3.698 24.591 18.232 1.00 50.00 C ATOM 291 CG ASP A 19 3.560 25.352 16.911 1.00 50.00 C ATOM 292 OD1 ASP A 19 2.985 26.428 16.927 1.00 50.00 O ATOM 293 OD2 ASP A 19 4.033 24.846 15.907 1.00 50.00 O ATOM 0 H ASP A 19 1.407 25.989 17.968 1.00 50.00 H new ATOM 0 HA ASP A 19 2.962 24.804 20.282 1.00 50.00 H new ATOM 0 HB2 ASP A 19 4.749 24.512 18.511 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.321 23.574 18.120 1.00 50.00 H new ATOM 298 N ASP A 20 2.846 27.742 19.095 1.00 50.00 N ATOM 299 CA ASP A 20 3.383 29.119 19.294 1.00 50.00 C ATOM 300 C ASP A 20 3.261 29.527 20.765 1.00 50.00 C ATOM 301 O ASP A 20 4.239 29.597 21.482 1.00 50.00 O ATOM 302 CB ASP A 20 2.518 30.019 18.410 1.00 50.00 C ATOM 303 CG ASP A 20 3.402 31.068 17.734 1.00 50.00 C ATOM 304 OD1 ASP A 20 4.246 31.629 18.413 1.00 50.00 O ATOM 305 OD2 ASP A 20 3.220 31.294 16.549 1.00 50.00 O ATOM 0 H ASP A 20 1.960 27.687 18.592 1.00 50.00 H new ATOM 0 HA ASP A 20 4.439 29.191 19.032 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.003 29.422 17.657 1.00 50.00 H new ATOM 0 HB3 ASP A 20 1.750 30.507 19.010 1.00 50.00 H new ATOM 310 N ASP A 21 2.067 29.794 21.221 1.00 50.00 N ATOM 311 CA ASP A 21 1.883 30.197 22.645 1.00 50.00 C ATOM 312 C ASP A 21 1.892 28.971 23.564 1.00 50.00 C ATOM 313 O ASP A 21 1.534 29.054 24.722 1.00 50.00 O ATOM 314 CB ASP A 21 0.522 30.889 22.687 1.00 50.00 C ATOM 315 CG ASP A 21 0.723 32.404 22.751 1.00 50.00 C ATOM 316 OD1 ASP A 21 0.848 32.920 23.850 1.00 50.00 O ATOM 317 OD2 ASP A 21 0.751 33.023 21.700 1.00 50.00 O ATOM 0 H ASP A 21 1.211 29.750 20.669 1.00 50.00 H new ATOM 0 HA ASP A 21 2.686 30.848 22.990 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -0.060 30.625 21.804 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -0.044 30.549 23.554 1.00 50.00 H new ATOM 322 N ASP A 22 2.291 27.834 23.063 1.00 50.00 N ATOM 323 CA ASP A 22 2.312 26.615 23.920 1.00 50.00 C ATOM 324 C ASP A 22 0.995 26.499 24.691 1.00 50.00 C ATOM 325 O ASP A 22 0.979 26.380 25.899 1.00 50.00 O ATOM 326 CB ASP A 22 3.481 26.824 24.883 1.00 50.00 C ATOM 327 CG ASP A 22 4.795 26.804 24.099 1.00 50.00 C ATOM 328 OD1 ASP A 22 5.098 25.776 23.516 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.476 27.816 24.096 1.00 50.00 O ATOM 0 H ASP A 22 2.602 27.697 22.101 1.00 50.00 H new ATOM 0 HA ASP A 22 2.427 25.700 23.339 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.371 27.774 25.405 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.486 26.042 25.642 1.00 50.00 H new ATOM 334 N LEU A 23 -0.109 26.539 23.995 1.00 50.00 N ATOM 335 CA LEU A 23 -1.436 26.437 24.674 1.00 50.00 C ATOM 336 C LEU A 23 -1.384 25.409 25.809 1.00 50.00 C ATOM 337 O LEU A 23 -1.885 25.641 26.891 1.00 50.00 O ATOM 338 CB LEU A 23 -2.404 25.978 23.583 1.00 50.00 C ATOM 339 CG LEU A 23 -3.486 27.040 23.381 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.568 26.494 22.446 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.112 27.395 24.731 1.00 50.00 C ATOM 0 H LEU A 23 -0.151 26.638 22.981 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.739 27.383 25.122 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -1.865 25.811 22.650 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -2.860 25.028 23.862 1.00 50.00 H new ATOM 0 HG LEU A 23 -3.041 27.932 22.941 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -5.340 27.250 22.302 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.123 26.241 21.484 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -5.013 25.601 22.886 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -4.883 28.152 24.587 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.557 26.503 25.171 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.342 27.784 25.398 1.00 50.00 H new ATOM 353 N PHE A 24 -0.783 24.275 25.572 1.00 50.00 N ATOM 354 CA PHE A 24 -0.703 23.236 26.640 1.00 50.00 C ATOM 355 C PHE A 24 -0.088 23.834 27.906 1.00 50.00 C ATOM 356 O PHE A 24 -0.354 23.395 29.007 1.00 50.00 O ATOM 357 CB PHE A 24 0.208 22.149 26.071 1.00 50.00 C ATOM 358 CG PHE A 24 -0.597 21.221 25.194 1.00 50.00 C ATOM 359 CD1 PHE A 24 -1.374 20.211 25.772 1.00 50.00 C ATOM 360 CD2 PHE A 24 -0.564 21.370 23.802 1.00 50.00 C ATOM 361 CE1 PHE A 24 -2.119 19.349 24.959 1.00 50.00 C ATOM 362 CE2 PHE A 24 -1.309 20.508 22.989 1.00 50.00 C ATOM 363 CZ PHE A 24 -2.086 19.497 23.567 1.00 50.00 C ATOM 0 H PHE A 24 -0.344 24.022 24.687 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.684 22.845 26.910 1.00 50.00 H new ATOM 0 HB2 PHE A 24 1.015 22.602 25.495 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.672 21.588 26.882 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -1.399 20.097 26.846 1.00 50.00 H new ATOM 0 HD2 PHE A 24 0.036 22.150 23.356 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -2.719 18.570 25.405 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -1.284 20.623 21.915 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.660 18.831 22.939 1.00 50.00 H new ATOM 373 N GLU A 25 0.735 24.832 27.754 1.00 50.00 N ATOM 374 CA GLU A 25 1.374 25.461 28.945 1.00 50.00 C ATOM 375 C GLU A 25 0.607 26.718 29.359 1.00 50.00 C ATOM 376 O GLU A 25 0.448 27.002 30.530 1.00 50.00 O ATOM 377 CB GLU A 25 2.787 25.824 28.489 1.00 50.00 C ATOM 378 CG GLU A 25 3.478 24.581 27.925 1.00 50.00 C ATOM 379 CD GLU A 25 4.986 24.692 28.152 1.00 50.00 C ATOM 380 OE1 GLU A 25 5.572 25.641 27.657 1.00 50.00 O ATOM 381 OE2 GLU A 25 5.531 23.826 28.817 1.00 50.00 O ATOM 0 H GLU A 25 0.994 25.241 26.856 1.00 50.00 H new ATOM 0 HA GLU A 25 1.380 24.795 29.808 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.746 26.606 27.730 1.00 50.00 H new ATOM 0 HB3 GLU A 25 3.359 26.222 29.327 1.00 50.00 H new ATOM 0 HG2 GLU A 25 3.091 23.685 28.410 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.265 24.485 26.860 1.00 50.00 H new ATOM 388 N LYS A 26 0.134 27.477 28.410 1.00 50.00 N ATOM 389 CA LYS A 26 -0.618 28.717 28.753 1.00 50.00 C ATOM 390 C LYS A 26 -2.011 28.366 29.279 1.00 50.00 C ATOM 391 O LYS A 26 -2.552 29.043 30.130 1.00 50.00 O ATOM 392 CB LYS A 26 -0.715 29.497 27.442 1.00 50.00 C ATOM 393 CG LYS A 26 0.433 30.505 27.365 1.00 50.00 C ATOM 394 CD LYS A 26 0.069 31.756 28.168 1.00 50.00 C ATOM 395 CE LYS A 26 0.588 32.997 27.440 1.00 50.00 C ATOM 396 NZ LYS A 26 -0.255 34.117 27.946 1.00 50.00 N ATOM 0 H LYS A 26 0.235 27.293 27.412 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.125 29.296 29.534 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -0.670 28.813 26.595 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.673 30.014 27.384 1.00 50.00 H new ATOM 0 HG2 LYS A 26 1.348 30.061 27.758 1.00 50.00 H new ATOM 0 HG3 LYS A 26 0.628 30.771 26.326 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -1.012 31.820 28.293 1.00 50.00 H new ATOM 0 HD3 LYS A 26 0.502 31.699 29.167 1.00 50.00 H new ATOM 0 HE2 LYS A 26 1.643 33.168 27.654 1.00 50.00 H new ATOM 0 HE3 LYS A 26 0.495 32.889 26.359 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 0.040 35.005 27.493 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -1.253 33.929 27.722 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -0.141 34.199 28.976 1.00 50.00 H new ATOM 410 N ALA A 27 -2.594 27.310 28.783 1.00 50.00 N ATOM 411 CA ALA A 27 -3.950 26.917 29.261 1.00 50.00 C ATOM 412 C ALA A 27 -3.911 26.632 30.764 1.00 50.00 C ATOM 413 O ALA A 27 -4.893 26.789 31.462 1.00 50.00 O ATOM 414 CB ALA A 27 -4.298 25.648 28.481 1.00 50.00 C ATOM 0 H ALA A 27 -2.191 26.703 28.069 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.689 27.702 29.103 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.286 25.297 28.779 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.297 25.866 27.413 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.559 24.876 28.694 1.00 50.00 H new ATOM 420 N ALA A 28 -2.781 26.219 31.268 1.00 50.00 N ATOM 421 CA ALA A 28 -2.678 25.932 32.727 1.00 50.00 C ATOM 422 C ALA A 28 -2.610 27.244 33.512 1.00 50.00 C ATOM 423 O ALA A 28 -2.827 27.276 34.707 1.00 50.00 O ATOM 424 CB ALA A 28 -1.379 25.141 32.889 1.00 50.00 C ATOM 0 H ALA A 28 -1.925 26.068 30.734 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.538 25.377 33.102 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.233 24.892 33.940 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.436 24.223 32.303 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.540 25.743 32.539 1.00 50.00 H new ATOM 430 N ASP A 29 -2.310 28.326 32.847 1.00 50.00 N ATOM 431 CA ASP A 29 -2.228 29.637 33.551 1.00 50.00 C ATOM 432 C ASP A 29 -3.612 30.290 33.612 1.00 50.00 C ATOM 433 O ASP A 29 -3.831 31.236 34.342 1.00 50.00 O ATOM 434 CB ASP A 29 -1.272 30.483 32.709 1.00 50.00 C ATOM 435 CG ASP A 29 0.134 30.411 33.307 1.00 50.00 C ATOM 436 OD1 ASP A 29 0.328 29.624 34.219 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.992 31.143 32.843 1.00 50.00 O ATOM 0 H ASP A 29 -2.118 28.359 31.846 1.00 50.00 H new ATOM 0 HA ASP A 29 -1.879 29.533 34.578 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -1.260 30.123 31.680 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -1.614 31.518 32.680 1.00 50.00 H new ATOM 442 N ALA A 30 -4.547 29.792 32.850 1.00 50.00 N ATOM 443 CA ALA A 30 -5.914 30.385 32.865 1.00 50.00 C ATOM 444 C ALA A 30 -6.882 29.460 33.605 1.00 50.00 C ATOM 445 O ALA A 30 -7.305 29.738 34.709 1.00 50.00 O ATOM 446 CB ALA A 30 -6.308 30.509 31.393 1.00 50.00 C ATOM 0 H ALA A 30 -4.424 29.001 32.218 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.942 31.347 33.376 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.307 30.939 31.319 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.596 31.154 30.879 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.303 29.522 30.931 1.00 50.00 H new ATOM 452 N GLY A 31 -7.235 28.361 33.001 1.00 50.00 N ATOM 453 CA GLY A 31 -8.175 27.413 33.662 1.00 50.00 C ATOM 454 C GLY A 31 -9.395 27.200 32.763 1.00 50.00 C ATOM 455 O GLY A 31 -10.483 27.653 33.059 1.00 50.00 O ATOM 0 H GLY A 31 -6.913 28.077 32.076 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.677 26.462 33.850 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.486 27.807 34.629 1.00 50.00 H new ATOM 459 N LEU A 32 -9.222 26.513 31.667 1.00 50.00 N ATOM 460 CA LEU A 32 -10.372 26.273 30.748 1.00 50.00 C ATOM 461 C LEU A 32 -11.141 25.021 31.179 1.00 50.00 C ATOM 462 O LEU A 32 -10.840 24.411 32.186 1.00 50.00 O ATOM 463 CB LEU A 32 -9.742 26.068 29.370 1.00 50.00 C ATOM 464 CG LEU A 32 -8.901 27.293 29.005 1.00 50.00 C ATOM 465 CD1 LEU A 32 -7.601 26.841 28.336 1.00 50.00 C ATOM 466 CD2 LEU A 32 -9.688 28.182 28.038 1.00 50.00 C ATOM 0 H LEU A 32 -8.335 26.108 31.368 1.00 50.00 H new ATOM 0 HA LEU A 32 -11.083 27.099 30.752 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -9.119 25.174 29.373 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -10.520 25.912 28.623 1.00 50.00 H new ATOM 0 HG LEU A 32 -8.668 27.855 29.910 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -7.003 27.714 28.076 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.040 26.208 29.023 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -7.834 26.279 27.432 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -9.090 29.055 27.777 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -9.921 27.619 27.134 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -10.614 28.506 28.513 1.00 50.00 H new ATOM 478 N ASP A 33 -12.132 24.634 30.423 1.00 50.00 N ATOM 479 CA ASP A 33 -12.920 23.421 30.787 1.00 50.00 C ATOM 480 C ASP A 33 -11.984 22.233 31.023 1.00 50.00 C ATOM 481 O ASP A 33 -11.350 21.740 30.112 1.00 50.00 O ATOM 482 CB ASP A 33 -13.822 23.161 29.579 1.00 50.00 C ATOM 483 CG ASP A 33 -14.927 24.218 29.526 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.602 25.378 29.334 1.00 50.00 O ATOM 485 OD2 ASP A 33 -16.080 23.849 29.677 1.00 50.00 O ATOM 0 H ASP A 33 -12.430 25.105 29.569 1.00 50.00 H new ATOM 0 HA ASP A 33 -13.493 23.559 31.704 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.235 23.188 28.661 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -14.260 22.165 29.647 1.00 50.00 H new ATOM 490 N GLY A 34 -11.891 21.768 32.240 1.00 50.00 N ATOM 491 CA GLY A 34 -10.995 20.612 32.528 1.00 50.00 C ATOM 492 C GLY A 34 -11.252 19.506 31.504 1.00 50.00 C ATOM 493 O GLY A 34 -10.355 18.785 31.114 1.00 50.00 O ATOM 0 H GLY A 34 -12.396 22.138 33.045 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.952 20.926 32.487 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.176 20.239 33.536 1.00 50.00 H new ATOM 497 N GLU A 35 -12.472 19.369 31.065 1.00 50.00 N ATOM 498 CA GLU A 35 -12.792 18.313 30.063 1.00 50.00 C ATOM 499 C GLU A 35 -12.238 18.706 28.691 1.00 50.00 C ATOM 500 O GLU A 35 -12.227 17.919 27.765 1.00 50.00 O ATOM 501 CB GLU A 35 -14.319 18.253 30.027 1.00 50.00 C ATOM 502 CG GLU A 35 -14.764 16.835 29.664 1.00 50.00 C ATOM 503 CD GLU A 35 -16.105 16.896 28.929 1.00 50.00 C ATOM 504 OE1 GLU A 35 -16.098 17.209 27.749 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.115 16.630 29.558 1.00 50.00 O ATOM 0 H GLU A 35 -13.263 19.943 31.357 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.352 17.349 30.321 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -14.728 18.537 30.997 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -14.705 18.965 29.297 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.013 16.356 29.035 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -14.858 16.229 30.565 1.00 50.00 H new ATOM 512 N ASP A 36 -11.779 19.920 28.554 1.00 50.00 N ATOM 513 CA ASP A 36 -11.227 20.368 27.243 1.00 50.00 C ATOM 514 C ASP A 36 -9.696 20.335 27.272 1.00 50.00 C ATOM 515 O ASP A 36 -9.056 19.912 26.330 1.00 50.00 O ATOM 516 CB ASP A 36 -11.730 21.803 27.077 1.00 50.00 C ATOM 517 CG ASP A 36 -13.194 21.784 26.634 1.00 50.00 C ATOM 518 OD1 ASP A 36 -13.814 20.738 26.746 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.672 22.815 26.191 1.00 50.00 O ATOM 0 H ASP A 36 -11.762 20.622 29.294 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.540 19.726 26.420 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.631 22.345 28.017 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.123 22.329 26.340 1.00 50.00 H new ATOM 524 N TYR A 37 -9.105 20.782 28.346 1.00 12.50 N ATOM 525 CA TYR A 37 -7.616 20.779 28.436 1.00 12.50 C ATOM 526 C TYR A 37 -7.168 20.123 29.746 1.00 12.50 C ATOM 527 O TYR A 37 -7.847 20.195 30.752 1.00 12.50 O ATOM 528 CB TYR A 37 -7.220 22.259 28.400 1.00 12.50 C ATOM 529 CG TYR A 37 -5.838 22.437 28.987 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.753 21.733 28.453 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.645 23.305 30.068 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.474 21.897 28.999 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.367 23.469 30.615 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.282 22.765 30.081 1.00 12.50 C ATOM 535 OH TYR A 37 -2.022 22.926 30.621 1.00 50.00 O ATOM 0 H TYR A 37 -9.588 21.149 29.166 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.148 20.215 27.629 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.238 22.624 27.373 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.942 22.851 28.962 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -4.902 21.063 27.619 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.482 23.848 30.480 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.636 21.355 28.586 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -4.218 24.139 31.449 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.348 22.628 29.974 1.00 50.00 H new ATOM 545 N GLY A 38 -6.030 19.485 29.742 1.00 10.00 N ATOM 546 CA GLY A 38 -5.540 18.828 30.987 1.00 10.00 C ATOM 547 C GLY A 38 -4.543 17.726 30.626 1.00 10.00 C ATOM 548 O GLY A 38 -4.507 17.250 29.509 1.00 10.00 O ATOM 0 H GLY A 38 -5.418 19.390 28.931 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.065 19.564 31.636 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.378 18.407 31.542 1.00 10.00 H new ATOM 552 N THR A 39 -3.733 17.317 31.563 1.00 10.00 N ATOM 553 CA THR A 39 -2.740 16.243 31.273 1.00 10.00 C ATOM 554 C THR A 39 -3.372 14.868 31.498 1.00 10.00 C ATOM 555 O THR A 39 -3.756 14.524 32.598 1.00 10.00 O ATOM 556 CB THR A 39 -1.600 16.478 32.266 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.589 17.844 32.657 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.266 16.121 31.608 1.00 50.00 C ATOM 0 H THR A 39 -3.715 17.679 32.516 1.00 10.00 H new ATOM 0 HA THR A 39 -2.392 16.269 30.240 1.00 10.00 H new ATOM 0 HB THR A 39 -1.747 15.850 33.145 1.00 50.00 H new ATOM 0 HG1 THR A 39 -0.860 17.996 33.294 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.545 16.289 32.316 1.00 50.00 H new ATOM 0 HG22 THR A 39 -0.276 15.073 31.310 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.115 16.747 30.728 1.00 50.00 H new ATOM 566 N MET A 40 -3.484 14.078 30.465 1.00 10.00 N ATOM 567 CA MET A 40 -4.093 12.727 30.628 1.00 10.00 C ATOM 568 C MET A 40 -3.035 11.724 31.094 1.00 10.00 C ATOM 569 O MET A 40 -1.872 11.834 30.758 1.00 10.00 O ATOM 570 CB MET A 40 -4.612 12.348 29.241 1.00 10.00 C ATOM 571 CG MET A 40 -5.897 11.530 29.384 1.00 10.00 C ATOM 572 SD MET A 40 -5.479 9.798 29.699 1.00 12.50 S ATOM 573 CE MET A 40 -6.052 9.135 28.116 1.00 50.00 C ATOM 0 H MET A 40 -3.181 14.308 29.519 1.00 10.00 H new ATOM 0 HA MET A 40 -4.888 12.724 31.373 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.803 13.247 28.654 1.00 10.00 H new ATOM 0 HB3 MET A 40 -3.859 11.771 28.704 1.00 10.00 H new ATOM 0 HG2 MET A 40 -6.502 11.923 30.201 1.00 10.00 H new ATOM 0 HG3 MET A 40 -6.495 11.611 28.476 1.00 10.00 H new ATOM 0 HE1 MET A 40 -6.917 8.493 28.282 1.00 50.00 H new ATOM 0 HE2 MET A 40 -6.332 9.957 27.457 1.00 50.00 H new ATOM 0 HE3 MET A 40 -5.253 8.555 27.654 1.00 50.00 H new ATOM 583 N GLU A 41 -3.427 10.746 31.863 1.00 10.00 N ATOM 584 CA GLU A 41 -2.441 9.737 32.345 1.00 10.00 C ATOM 585 C GLU A 41 -3.023 8.327 32.211 1.00 10.00 C ATOM 586 O GLU A 41 -3.969 7.970 32.885 1.00 10.00 O ATOM 587 CB GLU A 41 -2.203 10.083 33.815 1.00 10.00 C ATOM 588 CG GLU A 41 -0.742 10.492 34.011 1.00 10.00 C ATOM 589 CD GLU A 41 -0.400 10.468 35.503 1.00 12.50 C ATOM 590 OE1 GLU A 41 -0.803 11.387 36.197 1.00 12.50 O ATOM 591 OE2 GLU A 41 0.258 9.532 35.924 1.00 12.50 O ATOM 0 H GLU A 41 -4.386 10.602 32.178 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.515 9.755 31.770 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.863 10.895 34.120 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.440 9.225 34.445 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.087 9.812 33.466 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -0.575 11.490 33.605 1.00 10.00 H new ATOM 598 N VAL A 42 -2.468 7.524 31.345 1.00 10.00 N ATOM 599 CA VAL A 42 -2.997 6.140 31.170 1.00 10.00 C ATOM 600 C VAL A 42 -1.844 5.135 31.089 1.00 10.00 C ATOM 601 O VAL A 42 -0.794 5.421 30.547 1.00 10.00 O ATOM 602 CB VAL A 42 -3.771 6.175 29.852 1.00 10.00 C ATOM 603 CG1 VAL A 42 -2.943 6.905 28.791 1.00 10.00 C ATOM 604 CG2 VAL A 42 -4.048 4.744 29.386 1.00 10.00 C ATOM 0 H VAL A 42 -1.673 7.765 30.752 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.626 5.832 32.005 1.00 10.00 H new ATOM 0 HB VAL A 42 -4.715 6.700 30.000 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -3.495 6.930 27.852 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -2.745 7.924 29.122 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -1.999 6.381 28.643 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -4.600 4.768 28.446 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -3.104 4.220 29.239 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -4.638 4.224 30.140 1.00 10.00 H new ATOM 614 N ALA A 43 -2.033 3.959 31.623 1.00 10.00 N ATOM 615 CA ALA A 43 -0.950 2.935 31.576 1.00 10.00 C ATOM 616 C ALA A 43 -0.545 2.662 30.125 1.00 10.00 C ATOM 617 O ALA A 43 -1.354 2.729 29.221 1.00 10.00 O ATOM 618 CB ALA A 43 -1.560 1.683 32.207 1.00 50.00 C ATOM 0 H ALA A 43 -2.890 3.663 32.090 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.052 3.259 32.102 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.822 0.881 32.210 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -1.862 1.902 33.231 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -2.431 1.373 31.631 1.00 50.00 H new ATOM 624 N GLU A 44 0.702 2.356 29.895 1.00 10.00 N ATOM 625 CA GLU A 44 1.157 2.080 28.503 1.00 10.00 C ATOM 626 C GLU A 44 0.485 0.812 27.970 1.00 10.00 C ATOM 627 O GLU A 44 0.590 -0.250 28.552 1.00 10.00 O ATOM 628 CB GLU A 44 2.669 1.885 28.612 1.00 10.00 C ATOM 629 CG GLU A 44 3.355 2.532 27.408 1.00 10.00 C ATOM 630 CD GLU A 44 3.519 1.494 26.297 1.00 25.00 C ATOM 631 OE1 GLU A 44 2.587 1.325 25.528 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.574 0.884 26.235 1.00 25.00 O ATOM 0 H GLU A 44 1.426 2.285 30.610 1.00 10.00 H new ATOM 0 HA GLU A 44 0.901 2.886 27.816 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.038 2.329 29.536 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.907 0.822 28.652 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.764 3.375 27.049 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.329 2.926 27.699 1.00 10.00 H new ATOM 639 N GLY A 45 -0.208 0.915 26.869 1.00 10.00 N ATOM 640 CA GLY A 45 -0.889 -0.283 26.302 1.00 10.00 C ATOM 641 C GLY A 45 -2.402 -0.121 26.456 1.00 10.00 C ATOM 642 O GLY A 45 -3.178 -0.804 25.818 1.00 10.00 O ATOM 0 H GLY A 45 -0.332 1.777 26.338 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.629 -0.400 25.250 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.553 -1.184 26.816 1.00 10.00 H new ATOM 646 N GLU A 46 -2.826 0.781 27.298 1.00 10.00 N ATOM 647 CA GLU A 46 -4.289 0.990 27.493 1.00 10.00 C ATOM 648 C GLU A 46 -4.817 1.989 26.460 1.00 10.00 C ATOM 649 O GLU A 46 -4.273 3.061 26.285 1.00 10.00 O ATOM 650 CB GLU A 46 -4.422 1.557 28.906 1.00 10.00 C ATOM 651 CG GLU A 46 -5.375 0.680 29.720 1.00 10.00 C ATOM 652 CD GLU A 46 -5.601 1.312 31.094 1.00 10.00 C ATOM 653 OE1 GLU A 46 -4.619 1.625 31.748 1.00 10.00 O ATOM 654 OE2 GLU A 46 -6.750 1.472 31.470 1.00 10.00 O ATOM 0 H GLU A 46 -2.223 1.382 27.859 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.861 0.070 27.369 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.445 1.595 29.388 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -4.797 2.580 28.865 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -6.325 0.573 29.196 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -4.959 -0.321 29.832 1.00 10.00 H new ATOM 661 N TYR A 47 -5.871 1.644 25.773 1.00 10.00 N ATOM 662 CA TYR A 47 -6.429 2.574 24.749 1.00 10.00 C ATOM 663 C TYR A 47 -6.631 3.969 25.350 1.00 10.00 C ATOM 664 O TYR A 47 -7.405 4.154 26.267 1.00 10.00 O ATOM 665 CB TYR A 47 -7.771 1.961 24.346 1.00 10.00 C ATOM 666 CG TYR A 47 -7.575 0.507 23.991 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.446 0.109 23.264 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.521 -0.445 24.389 1.00 10.00 C ATOM 669 CE1 TYR A 47 -6.264 -1.240 22.935 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.339 -1.793 24.061 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.211 -2.191 23.334 1.00 10.00 C ATOM 672 OH TYR A 47 -7.032 -3.521 23.011 1.00 10.00 O ATOM 0 H TYR A 47 -6.370 0.760 25.876 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.763 2.693 23.894 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.485 2.053 25.164 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.189 2.501 23.496 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.715 0.843 22.957 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.392 -0.139 24.950 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -5.394 -1.547 22.374 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.069 -2.527 24.369 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.780 -4.047 23.364 1.00 10.00 H new ATOM 682 N ILE A 48 -5.938 4.951 24.838 1.00 10.00 N ATOM 683 CA ILE A 48 -6.089 6.334 25.378 1.00 10.00 C ATOM 684 C ILE A 48 -7.570 6.711 25.464 1.00 10.00 C ATOM 685 O ILE A 48 -8.099 6.949 26.532 1.00 10.00 O ATOM 686 CB ILE A 48 -5.371 7.234 24.373 1.00 10.00 C ATOM 687 CG1 ILE A 48 -3.862 6.997 24.457 1.00 10.00 C ATOM 688 CG2 ILE A 48 -5.676 8.699 24.695 1.00 10.00 C ATOM 689 CD1 ILE A 48 -3.154 7.864 23.414 1.00 10.00 C ATOM 0 H ILE A 48 -5.274 4.856 24.070 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.676 6.429 26.382 1.00 10.00 H new ATOM 0 HB ILE A 48 -5.717 7.001 23.366 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -3.499 7.241 25.456 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -3.638 5.944 24.284 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -5.165 9.343 23.979 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.751 8.869 24.633 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.330 8.930 25.702 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.078 7.697 23.472 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -3.510 7.599 22.418 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.369 8.915 23.608 1.00 10.00 H new ATOM 701 N LEU A 49 -8.240 6.769 24.344 1.00 10.00 N ATOM 702 CA LEU A 49 -9.687 7.134 24.354 1.00 10.00 C ATOM 703 C LEU A 49 -10.400 6.444 25.519 1.00 10.00 C ATOM 704 O LEU A 49 -11.269 7.011 26.151 1.00 10.00 O ATOM 705 CB LEU A 49 -10.230 6.628 23.017 1.00 10.00 C ATOM 706 CG LEU A 49 -11.754 6.762 23.002 1.00 10.00 C ATOM 707 CD1 LEU A 49 -12.167 7.769 21.927 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.383 5.402 22.695 1.00 10.00 C ATOM 0 H LEU A 49 -7.848 6.579 23.422 1.00 10.00 H new ATOM 0 HA LEU A 49 -9.842 8.206 24.479 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -9.796 7.199 22.196 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -9.944 5.587 22.867 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.097 7.109 23.976 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -13.253 7.865 21.916 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -11.719 8.739 22.146 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -11.823 7.422 20.952 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.469 5.497 22.684 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.040 5.054 21.721 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.089 4.684 23.461 1.00 10.00 H new ATOM 720 N GLU A 50 -10.038 5.225 25.808 1.00 10.00 N ATOM 721 CA GLU A 50 -10.693 4.500 26.934 1.00 10.00 C ATOM 722 C GLU A 50 -10.191 5.045 28.273 1.00 10.00 C ATOM 723 O GLU A 50 -10.964 5.435 29.126 1.00 10.00 O ATOM 724 CB GLU A 50 -10.277 3.040 26.761 1.00 10.00 C ATOM 725 CG GLU A 50 -11.219 2.144 27.567 1.00 10.00 C ATOM 726 CD GLU A 50 -12.458 1.823 26.730 1.00 50.00 C ATOM 727 OE1 GLU A 50 -12.341 1.023 25.816 1.00 50.00 O ATOM 728 OE2 GLU A 50 -13.504 2.381 27.017 1.00 50.00 O ATOM 0 H GLU A 50 -9.317 4.699 25.314 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.777 4.618 26.927 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -10.308 2.764 25.707 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -9.249 2.901 27.097 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -10.709 1.223 27.849 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -11.511 2.643 28.491 1.00 10.00 H new ATOM 735 N ALA A 51 -8.900 5.076 28.464 1.00 10.00 N ATOM 736 CA ALA A 51 -8.350 5.596 29.747 1.00 10.00 C ATOM 737 C ALA A 51 -8.921 6.982 30.042 1.00 10.00 C ATOM 738 O ALA A 51 -9.256 7.303 31.165 1.00 10.00 O ATOM 739 CB ALA A 51 -6.839 5.671 29.532 1.00 12.50 C ATOM 0 H ALA A 51 -8.203 4.764 27.787 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.607 4.960 30.594 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.361 6.047 30.437 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.454 4.677 29.304 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -6.623 6.343 28.701 1.00 12.50 H new ATOM 745 N ALA A 52 -9.037 7.804 29.041 1.00 10.00 N ATOM 746 CA ALA A 52 -9.589 9.171 29.258 1.00 10.00 C ATOM 747 C ALA A 52 -11.116 9.116 29.327 1.00 10.00 C ATOM 748 O ALA A 52 -11.745 9.889 30.022 1.00 10.00 O ATOM 749 CB ALA A 52 -9.134 9.984 28.047 1.00 10.00 C ATOM 0 H ALA A 52 -8.774 7.590 28.079 1.00 10.00 H new ATOM 0 HA ALA A 52 -9.243 9.612 30.193 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.503 11.006 28.135 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.045 9.994 28.004 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.529 9.533 27.137 1.00 10.00 H new ATOM 755 N GLU A 53 -11.714 8.205 28.613 1.00 10.00 N ATOM 756 CA GLU A 53 -13.200 8.094 28.638 1.00 10.00 C ATOM 757 C GLU A 53 -13.679 7.830 30.067 1.00 10.00 C ATOM 758 O GLU A 53 -14.784 8.174 30.438 1.00 10.00 O ATOM 759 CB GLU A 53 -13.524 6.905 27.733 1.00 10.00 C ATOM 760 CG GLU A 53 -14.977 6.476 27.952 1.00 10.00 C ATOM 761 CD GLU A 53 -15.487 5.748 26.706 1.00 10.00 C ATOM 762 OE1 GLU A 53 -15.201 6.211 25.614 1.00 10.00 O ATOM 763 OE2 GLU A 53 -16.154 4.739 26.866 1.00 10.00 O ATOM 0 H GLU A 53 -11.239 7.531 28.012 1.00 10.00 H new ATOM 0 HA GLU A 53 -13.692 9.006 28.299 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.367 7.176 26.689 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -12.852 6.075 27.951 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -15.048 5.823 28.822 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.598 7.348 28.157 1.00 10.00 H new ATOM 770 N ALA A 54 -12.852 7.222 30.872 1.00 10.00 N ATOM 771 CA ALA A 54 -13.253 6.935 32.279 1.00 10.00 C ATOM 772 C ALA A 54 -13.224 8.222 33.108 1.00 10.00 C ATOM 773 O ALA A 54 -13.933 8.358 34.086 1.00 10.00 O ATOM 774 CB ALA A 54 -12.210 5.942 32.792 1.00 50.00 C ATOM 0 H ALA A 54 -11.915 6.911 30.616 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.265 6.535 32.349 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.435 5.679 33.826 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.230 5.043 32.176 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.220 6.395 32.740 1.00 50.00 H new ATOM 780 N GLN A 55 -12.409 9.167 32.726 1.00 10.00 N ATOM 781 CA GLN A 55 -12.334 10.444 33.492 1.00 10.00 C ATOM 782 C GLN A 55 -13.443 11.399 33.041 1.00 10.00 C ATOM 783 O GLN A 55 -13.715 12.395 33.681 1.00 10.00 O ATOM 784 CB GLN A 55 -10.959 11.022 33.157 1.00 10.00 C ATOM 785 CG GLN A 55 -9.874 10.026 33.569 1.00 10.00 C ATOM 786 CD GLN A 55 -9.180 10.527 34.837 1.00 10.00 C ATOM 787 OE1 GLN A 55 -9.786 10.594 35.888 1.00 10.00 O ATOM 788 NE2 GLN A 55 -7.926 10.884 34.783 1.00 10.00 N ATOM 0 H GLN A 55 -11.791 9.110 31.916 1.00 10.00 H new ATOM 0 HA GLN A 55 -12.464 10.293 34.564 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -10.890 11.230 32.089 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -10.814 11.969 33.676 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -10.314 9.044 33.745 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -9.147 9.910 32.765 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -7.417 10.828 33.901 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -7.455 11.219 35.623 1.00 10.00 H new ATOM 797 N GLY A 56 -14.085 11.104 31.944 1.00 10.00 N ATOM 798 CA GLY A 56 -15.173 11.996 31.454 1.00 10.00 C ATOM 799 C GLY A 56 -14.773 12.593 30.102 1.00 10.00 C ATOM 800 O GLY A 56 -15.553 13.263 29.454 1.00 10.00 O ATOM 0 H GLY A 56 -13.903 10.284 31.366 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -16.102 11.434 31.355 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -15.358 12.792 32.175 1.00 10.00 H new ATOM 804 N TYR A 57 -13.564 12.356 29.672 1.00 10.00 N ATOM 805 CA TYR A 57 -13.115 12.910 28.363 1.00 10.00 C ATOM 806 C TYR A 57 -13.940 12.308 27.222 1.00 10.00 C ATOM 807 O TYR A 57 -14.003 11.106 27.054 1.00 10.00 O ATOM 808 CB TYR A 57 -11.648 12.496 28.244 1.00 10.00 C ATOM 809 CG TYR A 57 -10.840 13.200 29.308 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.021 14.570 29.533 1.00 10.00 C ATOM 811 CD2 TYR A 57 -9.911 12.481 30.069 1.00 10.00 C ATOM 812 CE1 TYR A 57 -10.272 15.221 30.521 1.00 12.50 C ATOM 813 CE2 TYR A 57 -9.162 13.133 31.056 1.00 12.50 C ATOM 814 CZ TYR A 57 -9.342 14.503 31.282 1.00 12.50 C ATOM 815 OH TYR A 57 -8.604 15.145 32.256 1.00 12.50 O ATOM 0 H TYR A 57 -12.867 11.802 30.171 1.00 10.00 H new ATOM 0 HA TYR A 57 -13.240 13.991 28.305 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -11.553 11.416 28.355 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.266 12.749 27.255 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -11.738 15.124 28.945 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -9.772 11.424 29.895 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.412 16.278 30.696 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -8.445 12.579 31.643 1.00 12.50 H new ATOM 0 HH TYR A 57 -8.123 15.900 31.857 1.00 12.50 H new ATOM 825 N ASP A 58 -14.573 13.135 26.435 1.00 10.00 N ATOM 826 CA ASP A 58 -15.394 12.610 25.307 1.00 10.00 C ATOM 827 C ASP A 58 -14.638 12.770 23.985 1.00 10.00 C ATOM 828 O ASP A 58 -13.838 13.669 23.820 1.00 10.00 O ATOM 829 CB ASP A 58 -16.661 13.466 25.306 1.00 10.00 C ATOM 830 CG ASP A 58 -17.783 12.715 24.585 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.492 11.700 23.975 1.00 10.00 O ATOM 832 OD2 ASP A 58 -18.913 13.169 24.656 1.00 10.00 O ATOM 0 H ASP A 58 -14.557 14.151 26.524 1.00 10.00 H new ATOM 0 HA ASP A 58 -15.619 11.549 25.419 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -16.960 13.693 26.329 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -16.469 14.418 24.811 1.00 10.00 H new ATOM 837 N TRP A 59 -14.887 11.903 23.041 1.00 10.00 N ATOM 838 CA TRP A 59 -14.183 12.005 21.731 1.00 10.00 C ATOM 839 C TRP A 59 -15.173 11.793 20.583 1.00 10.00 C ATOM 840 O TRP A 59 -16.090 11.002 20.692 1.00 10.00 O ATOM 841 CB TRP A 59 -13.141 10.886 21.753 1.00 10.00 C ATOM 842 CG TRP A 59 -12.270 11.037 22.959 1.00 10.00 C ATOM 843 CD1 TRP A 59 -12.610 10.666 24.214 1.00 10.00 C ATOM 844 CD2 TRP A 59 -10.924 11.589 23.045 1.00 10.00 C ATOM 845 NE1 TRP A 59 -11.559 10.957 25.066 1.00 50.00 N ATOM 846 CE2 TRP A 59 -10.497 11.527 24.393 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.041 12.133 22.095 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -9.239 11.987 24.784 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -8.773 12.597 22.486 1.00 50.00 C ATOM 850 CH2 TRP A 59 -8.374 12.525 23.828 1.00 50.00 C ATOM 0 H TRP A 59 -15.547 11.129 23.120 1.00 10.00 H new ATOM 0 HA TRP A 59 -13.727 12.984 21.582 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -13.636 9.915 21.768 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -12.535 10.921 20.847 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -13.548 10.216 24.504 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -11.568 10.773 26.069 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.339 12.195 21.059 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -8.936 11.928 25.819 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.102 13.011 21.748 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -7.399 12.885 24.122 1.00 50.00 H new ATOM 861 N PRO A 60 -14.953 12.511 19.516 1.00 10.00 N ATOM 862 CA PRO A 60 -15.836 12.403 18.330 1.00 10.00 C ATOM 863 C PRO A 60 -15.596 11.075 17.607 1.00 10.00 C ATOM 864 O PRO A 60 -14.936 11.020 16.588 1.00 10.00 O ATOM 865 CB PRO A 60 -15.414 13.582 17.460 1.00 10.00 C ATOM 866 CG PRO A 60 -14.005 13.877 17.866 1.00 10.00 C ATOM 867 CD PRO A 60 -13.870 13.481 19.314 1.00 10.00 C ATOM 0 HA PRO A 60 -16.897 12.425 18.580 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -15.476 13.333 16.401 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -16.061 14.444 17.623 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -13.301 13.321 17.247 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -13.779 14.935 17.733 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -12.895 13.039 19.518 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.975 14.341 19.975 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.422 11.448 14.957 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.502 12.933 14.861 1.00 10.00 C ATOM 1013 C ALA A 72 -9.690 13.585 15.982 1.00 10.00 C ATOM 1014 O ALA A 72 -10.232 14.059 16.961 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.987 13.260 15.013 1.00 10.00 C ATOM 0 HA ALA A 72 -10.096 13.307 13.921 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -12.130 14.339 14.953 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.550 12.775 14.216 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.342 12.900 15.979 1.00 10.00 H new ATOM 1021 N SER A 73 -8.395 13.618 15.842 1.00 10.00 N ATOM 1022 CA SER A 73 -7.545 14.244 16.893 1.00 10.00 C ATOM 1023 C SER A 73 -6.332 14.917 16.247 1.00 10.00 C ATOM 1024 O SER A 73 -6.141 14.849 15.051 1.00 10.00 O ATOM 1025 CB SER A 73 -7.104 13.085 17.788 1.00 50.00 C ATOM 1026 OG SER A 73 -8.250 12.422 18.300 1.00 50.00 O ATOM 0 H SER A 73 -7.887 13.238 15.043 1.00 10.00 H new ATOM 0 HA SER A 73 -8.076 15.011 17.457 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.489 12.386 17.220 1.00 50.00 H new ATOM 0 HB3 SER A 73 -6.489 13.457 18.607 1.00 50.00 H new ATOM 0 HG SER A 73 -8.163 12.321 19.271 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.511 15.568 17.027 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.311 16.242 16.449 1.00 10.00 C ATOM 1034 C ILE A 74 -3.136 16.158 17.427 1.00 10.00 C ATOM 1035 O ILE A 74 -2.937 17.030 18.249 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.726 17.699 16.240 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.017 17.759 15.420 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.615 18.440 15.493 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -5.764 17.197 14.018 1.00 10.00 C ATOM 0 H ILE A 74 -5.618 15.662 18.037 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.989 15.775 15.518 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.894 18.168 17.209 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.801 17.187 15.916 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.368 18.789 15.352 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.908 19.479 15.343 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.696 18.403 16.078 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.448 17.966 14.526 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -6.685 17.241 13.437 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -4.994 17.788 13.523 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.433 16.161 14.095 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.356 15.115 17.344 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.196 14.979 18.270 1.00 10.00 C ATOM 1053 C VAL A 75 -0.318 16.230 18.202 1.00 10.00 C ATOM 1054 O VAL A 75 0.227 16.562 17.168 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.426 13.758 17.765 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.037 13.970 16.300 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.839 13.570 18.605 1.00 50.00 C ATOM 0 H VAL A 75 -2.471 14.353 16.676 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.508 14.864 19.308 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.055 12.872 17.850 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.512 13.100 15.940 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -0.937 14.105 15.700 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.592 14.856 16.215 1.00 50.00 H new ATOM 0 HG21 VAL A 75 1.388 12.700 18.246 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.467 14.457 18.520 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.564 13.420 19.649 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.174 16.928 19.296 1.00 10.00 N ATOM 1068 CA LYS A 76 0.672 18.156 19.286 1.00 10.00 C ATOM 1069 C LYS A 76 2.145 17.784 19.474 1.00 10.00 C ATOM 1070 O LYS A 76 3.031 18.584 19.248 1.00 10.00 O ATOM 1071 CB LYS A 76 0.173 18.992 20.464 1.00 25.00 C ATOM 1072 CG LYS A 76 0.362 20.477 20.152 1.00 25.00 C ATOM 1073 CD LYS A 76 1.335 21.092 21.160 1.00 50.00 C ATOM 1074 CE LYS A 76 2.687 21.329 20.485 1.00 50.00 C ATOM 1075 NZ LYS A 76 3.351 22.373 21.316 1.00 50.00 N ATOM 0 H LYS A 76 -0.604 16.702 20.193 1.00 10.00 H new ATOM 0 HA LYS A 76 0.600 18.700 18.344 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.879 18.780 20.654 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.720 18.727 21.369 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.745 20.600 19.139 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -0.597 20.993 20.195 1.00 25.00 H new ATOM 0 HD2 LYS A 76 0.936 22.033 21.539 1.00 50.00 H new ATOM 0 HD3 LYS A 76 1.455 20.429 22.016 1.00 50.00 H new ATOM 0 HE2 LYS A 76 3.279 20.414 20.453 1.00 50.00 H new ATOM 0 HE3 LYS A 76 2.562 21.664 19.455 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 4.044 22.889 20.737 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 2.636 23.038 21.675 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 3.837 21.922 22.117 1.00 50.00 H new ATOM 1089 N GLU A 77 2.412 16.575 19.886 1.00 10.00 N ATOM 1090 CA GLU A 77 3.827 16.151 20.089 1.00 10.00 C ATOM 1091 C GLU A 77 3.875 14.769 20.746 1.00 10.00 C ATOM 1092 O GLU A 77 3.308 14.551 21.797 1.00 10.00 O ATOM 1093 CB GLU A 77 4.429 17.207 21.015 1.00 10.00 C ATOM 1094 CG GLU A 77 5.575 17.920 20.295 1.00 10.00 C ATOM 1095 CD GLU A 77 6.777 16.980 20.195 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.821 16.023 20.951 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.634 17.232 19.364 1.00 25.00 O ATOM 0 H GLU A 77 1.712 15.862 20.091 1.00 10.00 H new ATOM 0 HA GLU A 77 4.374 16.075 19.149 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.665 17.927 21.309 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.794 16.739 21.929 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.257 18.228 19.299 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.851 18.825 20.836 1.00 10.00 H new ATOM 1104 N GLY A 78 4.549 13.835 20.133 1.00 10.00 N ATOM 1105 CA GLY A 78 4.633 12.469 20.721 1.00 10.00 C ATOM 1106 C GLY A 78 4.187 11.438 19.681 1.00 10.00 C ATOM 1107 O GLY A 78 3.880 11.773 18.554 1.00 10.00 O ATOM 0 H GLY A 78 5.045 13.959 19.250 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.654 12.261 21.040 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.002 12.404 21.608 1.00 10.00 H new ATOM 1111 N GLU A 79 4.150 10.186 20.049 1.00 10.00 N ATOM 1112 CA GLU A 79 3.724 9.136 19.078 1.00 10.00 C ATOM 1113 C GLU A 79 2.672 8.220 19.713 1.00 10.00 C ATOM 1114 O GLU A 79 2.688 7.973 20.903 1.00 10.00 O ATOM 1115 CB GLU A 79 4.999 8.353 18.759 1.00 25.00 C ATOM 1116 CG GLU A 79 4.657 7.169 17.852 1.00 25.00 C ATOM 1117 CD GLU A 79 5.860 6.842 16.965 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.119 7.602 16.047 1.00 50.00 O ATOM 1119 OE2 GLU A 79 6.501 5.836 17.219 1.00 50.00 O ATOM 0 H GLU A 79 4.396 9.845 20.978 1.00 10.00 H new ATOM 0 HA GLU A 79 3.272 9.561 18.182 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.724 9.003 18.269 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.460 7.998 19.680 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.389 6.301 18.455 1.00 25.00 H new ATOM 0 HG3 GLU A 79 3.791 7.408 17.235 1.00 25.00 H new ATOM 1126 N ILE A 80 1.757 7.718 18.928 1.00 10.00 N ATOM 1127 CA ILE A 80 0.703 6.821 19.486 1.00 10.00 C ATOM 1128 C ILE A 80 0.748 5.455 18.793 1.00 10.00 C ATOM 1129 O ILE A 80 1.075 5.349 17.628 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.618 7.531 19.187 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.664 8.865 19.938 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.785 6.650 19.640 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -2.036 9.513 19.747 1.00 50.00 C ATOM 0 H ILE A 80 1.693 7.890 17.925 1.00 10.00 H new ATOM 0 HA ILE A 80 0.837 6.639 20.552 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.696 7.715 18.116 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.471 8.704 20.999 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.118 9.529 19.569 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.727 7.156 19.427 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.754 5.701 19.105 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.707 6.465 20.711 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.068 10.462 20.282 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.211 9.689 18.686 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.809 8.851 20.137 1.00 50.00 H new ATOM 1145 N ASP A 81 0.422 4.409 19.503 1.00 10.00 N ATOM 1146 CA ASP A 81 0.446 3.050 18.885 1.00 10.00 C ATOM 1147 C ASP A 81 -0.973 2.615 18.508 1.00 10.00 C ATOM 1148 O ASP A 81 -1.947 3.123 19.029 1.00 10.00 O ATOM 1149 CB ASP A 81 1.019 2.135 19.968 1.00 10.00 C ATOM 1150 CG ASP A 81 2.197 1.343 19.397 1.00 10.00 C ATOM 1151 OD1 ASP A 81 2.135 0.984 18.232 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.141 1.109 20.134 1.00 10.00 O ATOM 0 H ASP A 81 0.140 4.435 20.483 1.00 10.00 H new ATOM 0 HA ASP A 81 1.039 3.021 17.971 1.00 10.00 H new ATOM 0 HB2 ASP A 81 1.345 2.727 20.823 1.00 10.00 H new ATOM 0 HB3 ASP A 81 0.249 1.453 20.328 1.00 10.00 H new ATOM 1157 N MET A 82 -1.100 1.678 17.607 1.00 12.50 N ATOM 1158 CA MET A 82 -2.459 1.216 17.200 1.00 12.50 C ATOM 1159 C MET A 82 -2.360 -0.076 16.383 1.00 12.50 C ATOM 1160 O MET A 82 -1.284 -0.563 16.100 1.00 12.50 O ATOM 1161 CB MET A 82 -3.018 2.349 16.338 1.00 12.50 C ATOM 1162 CG MET A 82 -2.033 2.663 15.211 1.00 12.50 C ATOM 1163 SD MET A 82 -2.815 3.780 14.021 1.00 12.50 S ATOM 1164 CE MET A 82 -3.416 2.509 12.880 1.00 50.00 C ATOM 0 H MET A 82 -0.324 1.213 17.136 1.00 12.50 H new ATOM 0 HA MET A 82 -3.095 1.000 18.059 1.00 12.50 H new ATOM 0 HB2 MET A 82 -3.984 2.062 15.922 1.00 12.50 H new ATOM 0 HB3 MET A 82 -3.185 3.237 16.948 1.00 12.50 H new ATOM 0 HG2 MET A 82 -1.132 3.121 15.618 1.00 12.50 H new ATOM 0 HG3 MET A 82 -1.726 1.742 14.715 1.00 12.50 H new ATOM 0 HE1 MET A 82 -4.116 2.956 12.174 1.00 50.00 H new ATOM 0 HE2 MET A 82 -2.574 2.081 12.336 1.00 50.00 H new ATOM 0 HE3 MET A 82 -3.921 1.724 13.443 1.00 50.00 H new ATOM 1174 N ASP A 83 -3.478 -0.633 16.001 1.00 50.00 N ATOM 1175 CA ASP A 83 -3.449 -1.890 15.200 1.00 50.00 C ATOM 1176 C ASP A 83 -2.642 -1.676 13.917 1.00 50.00 C ATOM 1177 O ASP A 83 -2.001 -0.659 13.740 1.00 50.00 O ATOM 1178 CB ASP A 83 -4.914 -2.182 14.870 1.00 50.00 C ATOM 1179 CG ASP A 83 -5.262 -3.606 15.308 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -5.436 -3.813 16.497 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -5.348 -4.465 14.446 1.00 50.00 O ATOM 0 H ASP A 83 -4.409 -0.272 16.209 1.00 50.00 H new ATOM 0 HA ASP A 83 -2.981 -2.714 15.738 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -5.561 -1.466 15.376 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -5.087 -2.067 13.800 1.00 50.00 H new ATOM 1275 N SER A 89 -1.654 8.053 6.219 1.00 12.50 N ATOM 1276 CA SER A 89 -0.382 8.470 5.562 1.00 12.50 C ATOM 1277 C SER A 89 0.447 9.330 6.520 1.00 12.50 C ATOM 1278 O SER A 89 -0.075 10.171 7.224 1.00 12.50 O ATOM 1279 CB SER A 89 -0.814 9.283 4.339 1.00 12.50 C ATOM 1280 OG SER A 89 -0.134 10.530 4.331 1.00 12.50 O ATOM 0 HA SER A 89 0.239 7.619 5.282 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.592 8.731 3.426 1.00 12.50 H new ATOM 0 HB3 SER A 89 -1.892 9.445 4.360 1.00 12.50 H new ATOM 0 HG SER A 89 -0.411 11.048 3.547 1.00 12.50 H new ATOM 1286 N ASP A 90 1.735 9.125 6.553 1.00 10.00 N ATOM 1287 CA ASP A 90 2.595 9.930 7.467 1.00 10.00 C ATOM 1288 C ASP A 90 2.327 11.422 7.268 1.00 10.00 C ATOM 1289 O ASP A 90 2.281 12.187 8.212 1.00 10.00 O ATOM 1290 CB ASP A 90 4.029 9.584 7.070 1.00 10.00 C ATOM 1291 CG ASP A 90 4.345 10.206 5.708 1.00 10.00 C ATOM 1292 OD1 ASP A 90 3.747 9.782 4.732 1.00 10.00 O ATOM 1293 OD2 ASP A 90 5.179 11.095 5.663 1.00 10.00 O ATOM 0 H ASP A 90 2.229 8.435 5.987 1.00 10.00 H new ATOM 0 HA ASP A 90 2.400 9.711 8.517 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.726 9.955 7.822 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.155 8.502 7.026 1.00 10.00 H new ATOM 1298 N GLU A 91 2.146 11.841 6.048 1.00 12.50 N ATOM 1299 CA GLU A 91 1.877 13.283 5.789 1.00 12.50 C ATOM 1300 C GLU A 91 0.664 13.736 6.603 1.00 12.50 C ATOM 1301 O GLU A 91 0.544 14.888 6.970 1.00 12.50 O ATOM 1302 CB GLU A 91 1.586 13.373 4.291 1.00 12.50 C ATOM 1303 CG GLU A 91 1.940 14.774 3.787 1.00 12.50 C ATOM 1304 CD GLU A 91 3.377 14.779 3.262 1.00 50.00 C ATOM 1305 OE1 GLU A 91 3.690 13.931 2.443 1.00 50.00 O ATOM 1306 OE2 GLU A 91 4.139 15.631 3.688 1.00 50.00 O ATOM 0 H GLU A 91 2.173 11.248 5.218 1.00 12.50 H new ATOM 0 HA GLU A 91 2.713 13.921 6.074 1.00 12.50 H new ATOM 0 HB2 GLU A 91 2.165 12.623 3.751 1.00 12.50 H new ATOM 0 HB3 GLU A 91 0.534 13.161 4.100 1.00 12.50 H new ATOM 0 HG2 GLU A 91 1.252 15.072 2.996 1.00 12.50 H new ATOM 0 HG3 GLU A 91 1.833 15.500 4.593 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.231 12.834 6.892 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.435 13.206 7.689 1.00 10.00 C ATOM 1315 C GLU A 92 -1.041 13.431 9.151 1.00 10.00 C ATOM 1316 O GLU A 92 -1.547 14.314 9.813 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.379 12.009 7.564 1.00 50.00 C ATOM 1318 CG GLU A 92 -3.752 12.489 7.089 1.00 50.00 C ATOM 1319 CD GLU A 92 -3.636 13.041 5.666 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -2.978 12.408 4.858 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -4.208 14.087 5.410 1.00 50.00 O ATOM 0 H GLU A 92 -0.182 11.855 6.611 1.00 10.00 H new ATOM 0 HA GLU A 92 -1.901 14.126 7.337 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.972 11.283 6.860 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -2.471 11.503 8.525 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -4.466 11.665 7.114 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -4.132 13.260 7.760 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.136 12.638 9.656 1.00 10.00 N ATOM 1329 CA VAL A 93 0.297 12.804 11.072 1.00 10.00 C ATOM 1330 C VAL A 93 1.268 13.981 11.190 1.00 10.00 C ATOM 1331 O VAL A 93 1.487 14.514 12.260 1.00 10.00 O ATOM 1332 CB VAL A 93 1.000 11.493 11.426 1.00 10.00 C ATOM 1333 CG1 VAL A 93 1.265 11.446 12.932 1.00 10.00 C ATOM 1334 CG2 VAL A 93 0.111 10.312 11.027 1.00 10.00 C ATOM 0 H VAL A 93 0.323 11.881 9.148 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.539 13.012 11.740 1.00 10.00 H new ATOM 0 HB VAL A 93 1.946 11.433 10.889 1.00 10.00 H new ATOM 0 HG11 VAL A 93 1.766 10.511 13.184 1.00 10.00 H new ATOM 0 HG12 VAL A 93 1.899 12.286 13.216 1.00 10.00 H new ATOM 0 HG13 VAL A 93 0.319 11.507 13.470 1.00 10.00 H new ATOM 0 HG21 VAL A 93 0.612 9.378 11.279 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -0.836 10.372 11.563 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -0.077 10.344 9.954 1.00 10.00 H new ATOM 1344 N GLU A 94 1.852 14.391 10.097 1.00 12.50 N ATOM 1345 CA GLU A 94 2.810 15.532 10.146 1.00 12.50 C ATOM 1346 C GLU A 94 2.101 16.837 9.772 1.00 12.50 C ATOM 1347 O GLU A 94 2.332 17.871 10.366 1.00 12.50 O ATOM 1348 CB GLU A 94 3.884 15.190 9.114 1.00 12.50 C ATOM 1349 CG GLU A 94 4.794 16.401 8.904 1.00 12.50 C ATOM 1350 CD GLU A 94 5.666 16.605 10.145 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.391 15.687 10.492 1.00 12.50 O ATOM 1352 OE2 GLU A 94 5.592 17.674 10.727 1.00 12.50 O ATOM 0 H GLU A 94 1.707 13.985 9.172 1.00 12.50 H new ATOM 0 HA GLU A 94 3.231 15.675 11.141 1.00 12.50 H new ATOM 0 HB2 GLU A 94 4.470 14.336 9.453 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.419 14.903 8.171 1.00 12.50 H new ATOM 0 HG2 GLU A 94 5.422 16.250 8.026 1.00 12.50 H new ATOM 0 HG3 GLU A 94 4.194 17.292 8.717 1.00 12.50 H new ATOM 1359 N GLU A 95 1.242 16.799 8.790 1.00 12.50 N ATOM 1360 CA GLU A 95 0.525 18.041 8.381 1.00 12.50 C ATOM 1361 C GLU A 95 -0.806 18.161 9.128 1.00 12.50 C ATOM 1362 O GLU A 95 -1.345 19.238 9.285 1.00 12.50 O ATOM 1363 CB GLU A 95 0.283 17.887 6.879 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.133 19.237 6.290 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.108 19.011 5.132 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.290 18.871 5.397 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.655 18.984 3.999 1.00 50.00 O ATOM 0 H GLU A 95 1.006 15.964 8.254 1.00 12.50 H new ATOM 0 HA GLU A 95 1.099 18.938 8.612 1.00 12.50 H new ATOM 0 HB2 GLU A 95 1.188 17.527 6.389 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.494 17.144 6.699 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -0.601 19.852 7.058 1.00 25.00 H new ATOM 0 HG3 GLU A 95 0.745 19.779 5.939 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.344 17.064 9.587 1.00 25.00 N ATOM 1375 CA LYS A 96 -2.643 17.123 10.319 1.00 25.00 C ATOM 1376 C LYS A 96 -2.473 16.603 11.750 1.00 25.00 C ATOM 1377 O LYS A 96 -3.306 16.830 12.605 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.586 16.217 9.527 1.00 25.00 C ATOM 1379 CG LYS A 96 -4.793 17.028 9.052 1.00 25.00 C ATOM 1380 CD LYS A 96 -4.647 17.334 7.559 1.00 25.00 C ATOM 1381 CE LYS A 96 -6.004 17.174 6.868 1.00 25.00 C ATOM 1382 NZ LYS A 96 -6.139 15.710 6.627 1.00 25.00 N ATOM 0 H LYS A 96 -0.942 16.132 9.488 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.025 18.141 10.397 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.063 15.789 8.672 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.916 15.385 10.149 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.712 16.471 9.232 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -4.867 17.956 9.619 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -4.274 18.349 7.420 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -3.917 16.661 7.109 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -6.813 17.548 7.495 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -6.040 17.734 5.933 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -6.986 15.530 6.052 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -5.298 15.362 6.123 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -6.227 15.215 7.537 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.401 15.910 12.017 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.179 15.379 13.394 1.00 10.00 C ATOM 1398 C ASP A 97 -2.365 14.515 13.831 1.00 10.00 C ATOM 1399 O ASP A 97 -2.584 14.295 15.006 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.065 16.619 14.281 1.00 50.00 C ATOM 1401 CG ASP A 97 0.408 16.892 14.589 1.00 50.00 C ATOM 1402 OD1 ASP A 97 1.214 16.005 14.363 1.00 50.00 O ATOM 1403 OD2 ASP A 97 0.706 17.984 15.046 1.00 50.00 O ATOM 0 H ASP A 97 -0.669 15.688 11.343 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.292 14.749 13.454 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -1.508 17.480 13.780 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -1.619 16.469 15.207 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.130 14.019 12.898 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.297 13.167 13.267 1.00 10.00 C ATOM 1410 C VAL A 98 -3.832 11.728 13.515 1.00 10.00 C ATOM 1411 O VAL A 98 -2.712 11.371 13.208 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.237 13.239 12.063 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -4.634 12.460 10.893 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -6.592 12.633 12.436 1.00 50.00 C ATOM 0 H VAL A 98 -2.998 14.166 11.897 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.790 13.502 14.180 1.00 10.00 H new ATOM 0 HB VAL A 98 -5.372 14.281 11.772 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -5.306 12.513 10.036 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -3.670 12.893 10.626 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -4.496 11.418 11.182 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -7.262 12.684 11.578 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.457 11.592 12.729 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -7.024 13.191 13.267 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.674 10.898 14.072 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.251 9.489 14.334 1.00 10.00 C ATOM 1426 C ARG A 99 -5.401 8.675 14.938 1.00 10.00 C ATOM 1427 O ARG A 99 -6.535 9.108 14.971 1.00 10.00 O ATOM 1428 CB ARG A 99 -3.103 9.608 15.337 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.785 9.246 14.651 1.00 50.00 C ATOM 1430 CD ARG A 99 -1.397 7.813 15.020 1.00 50.00 C ATOM 1431 NE ARG A 99 -0.166 7.535 14.229 1.00 50.00 N ATOM 1432 CZ ARG A 99 0.134 6.309 13.901 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -0.220 5.840 12.737 1.00 50.00 N ATOM 1434 NH2 ARG A 99 0.788 5.551 14.739 1.00 50.00 N ATOM 0 H ARG A 99 -5.626 11.130 14.355 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.955 8.976 13.419 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -3.053 10.623 15.730 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.277 8.946 16.185 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -1.887 9.340 13.570 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -1.000 9.938 14.958 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -1.210 7.717 16.090 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -2.193 7.111 14.772 1.00 50.00 H new ATOM 0 HE ARG A 99 0.442 8.303 13.944 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -0.732 6.432 12.083 1.00 50.00 H new ATOM 0 HH12 ARG A 99 0.015 4.881 12.481 1.00 50.00 H new ATOM 0 HH21 ARG A 99 1.064 5.918 15.650 1.00 50.00 H new ATOM 0 HH22 ARG A 99 1.023 4.592 14.483 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.108 7.494 15.417 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.172 6.640 16.022 1.00 10.00 C ATOM 1450 C LEU A 100 -6.140 6.758 17.549 1.00 10.00 C ATOM 1451 O LEU A 100 -5.149 6.452 18.183 1.00 10.00 O ATOM 1452 CB LEU A 100 -5.825 5.214 15.593 1.00 10.00 C ATOM 1453 CG LEU A 100 -6.785 4.759 14.492 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -6.324 5.328 13.149 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -6.791 3.231 14.424 1.00 10.00 C ATOM 0 H LEU A 100 -4.174 7.083 15.415 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.170 6.935 15.699 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -4.797 5.172 15.233 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -5.891 4.541 16.448 1.00 10.00 H new ATOM 0 HG LEU A 100 -7.791 5.117 14.712 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -7.007 5.005 12.363 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -6.317 6.417 13.198 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -5.319 4.968 12.927 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -7.474 2.904 13.640 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -5.786 2.873 14.202 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -7.117 2.825 15.382 1.00 10.00 H new ATOM 1467 N THR A 101 -7.215 7.195 18.147 1.00 10.00 N ATOM 1468 CA THR A 101 -7.238 7.327 19.632 1.00 10.00 C ATOM 1469 C THR A 101 -8.261 6.359 20.234 1.00 10.00 C ATOM 1470 O THR A 101 -8.201 6.028 21.402 1.00 10.00 O ATOM 1471 CB THR A 101 -7.647 8.777 19.894 1.00 10.00 C ATOM 1472 OG1 THR A 101 -6.786 9.647 19.171 1.00 10.00 O ATOM 1473 CG2 THR A 101 -7.543 9.078 21.390 1.00 10.00 C ATOM 0 H THR A 101 -8.077 7.466 17.673 1.00 10.00 H new ATOM 0 HA THR A 101 -6.275 7.089 20.084 1.00 10.00 H new ATOM 0 HB THR A 101 -8.676 8.929 19.568 1.00 10.00 H new ATOM 0 HG1 THR A 101 -7.272 10.464 18.932 1.00 10.00 H new ATOM 0 HG21 THR A 101 -7.835 10.112 21.574 1.00 10.00 H new ATOM 0 HG22 THR A 101 -8.204 8.410 21.942 1.00 10.00 H new ATOM 0 HG23 THR A 101 -6.516 8.927 21.721 1.00 10.00 H new ATOM 1481 N CYS A 102 -9.197 5.901 19.448 1.00 10.00 N ATOM 1482 CA CYS A 102 -10.218 4.953 19.982 1.00 10.00 C ATOM 1483 C CYS A 102 -9.529 3.742 20.620 1.00 10.00 C ATOM 1484 O CYS A 102 -9.436 3.632 21.826 1.00 10.00 O ATOM 1485 CB CYS A 102 -11.041 4.520 18.767 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.801 5.970 17.996 1.00 10.00 S ATOM 0 H CYS A 102 -9.299 6.141 18.462 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.841 5.411 20.751 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.403 4.006 18.048 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.812 3.812 19.072 1.00 10.00 H new ATOM 0 HG CYS A 102 -12.497 5.598 16.963 1.00 10.00 H new ATOM 1491 N ILE A 103 -9.042 2.835 19.817 1.00 10.00 N ATOM 1492 CA ILE A 103 -8.355 1.633 20.371 1.00 10.00 C ATOM 1493 C ILE A 103 -6.839 1.773 20.206 1.00 10.00 C ATOM 1494 O ILE A 103 -6.133 0.802 20.019 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.877 0.463 19.537 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -8.415 0.626 18.087 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -10.406 0.442 19.587 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -8.838 -0.598 17.274 1.00 50.00 C ATOM 0 H ILE A 103 -9.090 2.875 18.799 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.550 1.496 21.435 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.489 -0.473 19.939 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -8.848 1.529 17.656 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -7.332 0.743 18.051 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -10.778 -0.392 18.992 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -10.735 0.326 20.620 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -10.796 1.377 19.185 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -8.508 -0.481 16.242 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -8.384 -1.493 17.700 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -9.923 -0.694 17.300 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.336 2.975 20.270 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.869 3.179 20.113 1.00 10.00 C ATOM 1512 C GLY A 104 -4.259 3.574 21.460 1.00 10.00 C ATOM 1513 O GLY A 104 -4.873 4.258 22.254 1.00 10.00 O ATOM 0 H GLY A 104 -6.878 3.825 20.424 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -4.402 2.266 19.745 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.677 3.956 19.373 1.00 10.00 H new ATOM 1517 N SER A 105 -3.053 3.149 21.720 1.00 10.00 N ATOM 1518 CA SER A 105 -2.400 3.500 23.014 1.00 10.00 C ATOM 1519 C SER A 105 -1.226 4.452 22.770 1.00 10.00 C ATOM 1520 O SER A 105 -0.785 4.619 21.650 1.00 10.00 O ATOM 1521 CB SER A 105 -1.904 2.169 23.580 1.00 10.00 C ATOM 1522 OG SER A 105 -1.434 1.350 22.520 1.00 10.00 O ATOM 0 H SER A 105 -2.491 2.574 21.093 1.00 10.00 H new ATOM 0 HA SER A 105 -3.081 4.005 23.699 1.00 10.00 H new ATOM 0 HB2 SER A 105 -1.105 2.343 24.301 1.00 10.00 H new ATOM 0 HB3 SER A 105 -2.710 1.665 24.113 1.00 10.00 H new ATOM 0 HG SER A 105 -1.114 0.497 22.882 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.760 5.047 23.834 1.00 10.00 N ATOM 1529 CA PRO A 106 0.375 5.997 23.740 1.00 10.00 C ATOM 1530 C PRO A 106 1.687 5.247 23.493 1.00 10.00 C ATOM 1531 O PRO A 106 1.999 4.285 24.166 1.00 10.00 O ATOM 1532 CB PRO A 106 0.387 6.676 25.106 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.268 5.700 26.032 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.242 4.892 25.212 1.00 10.00 C ATOM 0 HA PRO A 106 0.272 6.704 22.917 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.405 6.901 25.426 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.155 7.621 25.081 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.475 5.051 26.496 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -0.784 6.221 26.838 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.249 3.846 25.517 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.261 5.263 25.323 1.00 10.00 H new ATOM 1542 N ALA A 107 2.456 5.682 22.534 1.00 10.00 N ATOM 1543 CA ALA A 107 3.749 4.997 22.244 1.00 10.00 C ATOM 1544 C ALA A 107 4.887 5.670 23.016 1.00 10.00 C ATOM 1545 O ALA A 107 5.928 5.085 23.242 1.00 10.00 O ATOM 1546 CB ALA A 107 3.952 5.156 20.737 1.00 50.00 C ATOM 0 H ALA A 107 2.246 6.482 21.938 1.00 10.00 H new ATOM 0 HA ALA A 107 3.739 3.949 22.544 1.00 10.00 H new ATOM 0 HB1 ALA A 107 4.886 4.677 20.443 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.122 4.689 20.207 1.00 50.00 H new ATOM 0 HB3 ALA A 107 3.993 6.216 20.485 1.00 50.00 H new ATOM 1552 N ALA A 108 4.698 6.896 23.422 1.00 10.00 N ATOM 1553 CA ALA A 108 5.769 7.605 24.181 1.00 10.00 C ATOM 1554 C ALA A 108 5.292 7.909 25.604 1.00 10.00 C ATOM 1555 O ALA A 108 4.231 7.484 26.016 1.00 10.00 O ATOM 1556 CB ALA A 108 6.009 8.902 23.406 1.00 50.00 C ATOM 0 H ALA A 108 3.849 7.438 23.261 1.00 10.00 H new ATOM 0 HA ALA A 108 6.678 7.010 24.271 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.786 9.483 23.902 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.325 8.666 22.390 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.087 9.482 23.374 1.00 50.00 H new ATOM 1562 N ASP A 109 6.067 8.640 26.359 1.00 50.00 N ATOM 1563 CA ASP A 109 5.652 8.969 27.754 1.00 50.00 C ATOM 1564 C ASP A 109 4.746 10.204 27.754 1.00 50.00 C ATOM 1565 O ASP A 109 3.556 10.111 27.980 1.00 50.00 O ATOM 1566 CB ASP A 109 6.956 9.253 28.500 1.00 50.00 C ATOM 1567 CG ASP A 109 6.675 9.346 30.002 1.00 50.00 C ATOM 1568 OD1 ASP A 109 5.984 8.479 30.510 1.00 50.00 O ATOM 1569 OD2 ASP A 109 7.157 10.283 30.617 1.00 50.00 O ATOM 0 H ASP A 109 6.968 9.023 26.071 1.00 50.00 H new ATOM 0 HA ASP A 109 5.088 8.162 28.221 1.00 50.00 H new ATOM 0 HB2 ASP A 109 7.680 8.462 28.303 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.396 10.184 28.143 1.00 50.00 H new ATOM 1574 N GLU A 110 5.297 11.358 27.496 1.00 10.00 N ATOM 1575 CA GLU A 110 4.463 12.594 27.475 1.00 10.00 C ATOM 1576 C GLU A 110 4.061 12.922 26.035 1.00 10.00 C ATOM 1577 O GLU A 110 4.866 13.372 25.244 1.00 10.00 O ATOM 1578 CB GLU A 110 5.362 13.691 28.044 1.00 10.00 C ATOM 1579 CG GLU A 110 5.323 13.641 29.573 1.00 10.00 C ATOM 1580 CD GLU A 110 5.415 15.062 30.133 1.00 50.00 C ATOM 1581 OE1 GLU A 110 4.933 15.969 29.473 1.00 50.00 O ATOM 1582 OE2 GLU A 110 5.965 15.220 31.210 1.00 50.00 O ATOM 0 H GLU A 110 6.288 11.499 27.299 1.00 10.00 H new ATOM 0 HA GLU A 110 3.544 12.487 28.051 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.385 13.557 27.691 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.029 14.668 27.693 1.00 10.00 H new ATOM 0 HG2 GLU A 110 4.401 13.166 29.908 1.00 10.00 H new ATOM 0 HG3 GLU A 110 6.149 13.037 29.949 1.00 10.00 H new ATOM 1589 N VAL A 111 2.825 12.695 25.685 1.00 10.00 N ATOM 1590 CA VAL A 111 2.382 12.991 24.293 1.00 10.00 C ATOM 1591 C VAL A 111 1.228 13.994 24.300 1.00 10.00 C ATOM 1592 O VAL A 111 0.234 13.809 24.974 1.00 10.00 O ATOM 1593 CB VAL A 111 1.917 11.646 23.734 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.600 11.797 22.245 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.025 10.607 23.918 1.00 12.50 C ATOM 0 H VAL A 111 2.104 12.318 26.301 1.00 10.00 H new ATOM 0 HA VAL A 111 3.178 13.433 23.694 1.00 10.00 H new ATOM 0 HB VAL A 111 1.023 11.320 24.265 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.268 10.839 21.845 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.811 12.538 22.114 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.495 12.122 21.714 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.694 9.648 23.520 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.920 10.931 23.387 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.251 10.501 24.979 1.00 12.50 H new ATOM 1605 N LYS A 112 1.348 15.054 23.549 1.00 10.00 N ATOM 1606 CA LYS A 112 0.254 16.065 23.508 1.00 10.00 C ATOM 1607 C LYS A 112 -0.651 15.804 22.300 1.00 10.00 C ATOM 1608 O LYS A 112 -0.200 15.374 21.257 1.00 10.00 O ATOM 1609 CB LYS A 112 0.961 17.414 23.376 1.00 25.00 C ATOM 1610 CG LYS A 112 1.541 17.819 24.734 1.00 25.00 C ATOM 1611 CD LYS A 112 2.473 19.019 24.556 1.00 25.00 C ATOM 1612 CE LYS A 112 3.330 19.189 25.813 1.00 25.00 C ATOM 1613 NZ LYS A 112 4.316 20.250 25.464 1.00 25.00 N ATOM 0 H LYS A 112 2.156 15.264 22.962 1.00 10.00 H new ATOM 0 HA LYS A 112 -0.380 16.030 24.394 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.756 17.349 22.633 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.260 18.172 23.027 1.00 25.00 H new ATOM 0 HG2 LYS A 112 0.736 18.070 25.424 1.00 25.00 H new ATOM 0 HG3 LYS A 112 2.087 16.983 25.172 1.00 25.00 H new ATOM 0 HD2 LYS A 112 3.111 18.872 23.685 1.00 25.00 H new ATOM 0 HD3 LYS A 112 1.890 19.922 24.375 1.00 25.00 H new ATOM 0 HE2 LYS A 112 2.722 19.481 26.669 1.00 25.00 H new ATOM 0 HE3 LYS A 112 3.830 18.258 26.080 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 4.941 20.424 26.277 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 4.885 19.941 24.650 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.812 21.126 25.221 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.923 16.055 22.434 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.856 15.816 21.296 1.00 10.00 C ATOM 1629 C ILE A 113 -4.147 16.616 21.492 1.00 10.00 C ATOM 1630 O ILE A 113 -4.591 16.834 22.601 1.00 10.00 O ATOM 1631 CB ILE A 113 -3.147 14.314 21.333 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -4.119 13.953 20.207 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.774 13.948 22.681 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -3.640 12.681 19.506 1.00 10.00 C ATOM 0 H ILE A 113 -2.358 16.416 23.283 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.431 16.127 20.342 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.216 13.762 21.202 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.120 13.803 20.611 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -4.184 14.773 19.491 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.981 12.878 22.707 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.084 14.204 23.485 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.704 14.501 22.812 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -4.333 12.425 18.704 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -2.647 12.848 19.088 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -3.598 11.863 20.225 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.754 17.051 20.422 1.00 10.00 N ATOM 1647 CA VAL A 114 -6.019 17.832 20.548 1.00 10.00 C ATOM 1648 C VAL A 114 -7.226 16.887 20.456 1.00 10.00 C ATOM 1649 O VAL A 114 -7.276 16.013 19.614 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.977 18.840 19.380 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -6.950 18.435 18.263 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -6.356 20.228 19.899 1.00 50.00 C ATOM 0 H VAL A 114 -4.430 16.900 19.467 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.114 18.347 21.504 1.00 10.00 H new ATOM 0 HB VAL A 114 -4.967 18.850 18.970 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -6.899 19.164 17.454 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -6.678 17.450 17.883 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.965 18.403 18.659 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -6.328 20.944 19.077 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -7.361 20.197 20.319 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -5.649 20.533 20.671 1.00 50.00 H new ATOM 1662 N TYR A 115 -8.196 17.055 21.314 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.391 16.162 21.267 1.00 10.00 C ATOM 1664 C TYR A 115 -10.584 16.906 20.644 1.00 10.00 C ATOM 1665 O TYR A 115 -10.584 18.115 20.531 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.644 15.763 22.737 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.871 16.456 23.293 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.778 17.770 23.761 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -12.098 15.782 23.336 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.911 18.413 24.273 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.232 16.425 23.848 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.138 17.741 24.315 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.255 18.375 24.820 1.00 50.00 O ATOM 0 H TYR A 115 -8.214 17.769 22.043 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.242 15.278 20.646 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.772 14.683 22.806 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.774 16.020 23.341 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.832 18.289 23.728 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -12.170 14.767 22.974 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.838 19.428 24.636 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -14.178 15.906 23.882 1.00 50.00 H new ATOM 0 HH TYR A 115 -13.977 19.112 25.403 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.595 16.186 20.238 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.788 16.841 19.619 1.00 10.00 C ATOM 1685 C ASN A 116 -12.410 17.492 18.286 1.00 10.00 C ATOM 1686 O ASN A 116 -12.845 18.581 17.974 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.238 17.907 20.620 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.573 17.491 21.241 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.449 18.311 21.431 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -14.767 16.242 21.566 1.00 10.00 N ATOM 0 H ASN A 116 -11.648 15.170 20.308 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.579 16.120 19.411 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.485 18.031 21.399 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -13.341 18.870 20.120 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -15.654 15.954 21.979 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.032 15.553 21.407 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.609 16.836 17.495 1.00 10.00 N ATOM 1698 CA ALA A 117 -11.218 17.428 16.184 1.00 10.00 C ATOM 1699 C ALA A 117 -12.454 17.595 15.297 1.00 10.00 C ATOM 1700 O ALA A 117 -12.460 18.371 14.362 1.00 10.00 O ATOM 1701 CB ALA A 117 -10.246 16.421 15.570 1.00 50.00 C ATOM 0 H ALA A 117 -11.209 15.920 17.697 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.766 18.414 16.290 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.910 16.785 14.599 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -9.386 16.298 16.228 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -10.747 15.461 15.444 1.00 50.00 H new ATOM 1707 N LYS A 118 -13.500 16.872 15.586 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.739 16.985 14.765 1.00 12.50 C ATOM 1709 C LYS A 118 -15.034 18.453 14.446 1.00 12.50 C ATOM 1710 O LYS A 118 -15.620 18.771 13.430 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.845 16.392 15.637 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.996 17.231 16.908 1.00 12.50 C ATOM 1713 CD LYS A 118 -17.281 16.827 17.633 1.00 12.50 C ATOM 1714 CE LYS A 118 -18.129 18.072 17.901 1.00 50.00 C ATOM 1715 NZ LYS A 118 -18.647 17.888 19.286 1.00 50.00 N ATOM 0 H LYS A 118 -13.551 16.206 16.357 1.00 12.50 H new ATOM 0 HA LYS A 118 -14.650 16.467 13.810 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -16.786 16.373 15.087 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -15.606 15.360 15.895 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -15.135 17.082 17.560 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -16.025 18.291 16.656 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.843 16.114 17.029 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.040 16.329 18.572 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.534 18.981 17.819 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -18.944 18.158 17.182 1.00 50.00 H new ATOM 0 HZ1 LYS A 118 -19.240 18.702 19.546 1.00 50.00 H new ATOM 0 HZ2 LYS A 118 -19.215 17.018 19.332 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -17.849 17.816 19.948 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.631 19.349 15.304 1.00 50.00 N ATOM 1727 CA HIS A 119 -14.890 20.795 15.044 1.00 50.00 C ATOM 1728 C HIS A 119 -14.174 21.233 13.764 1.00 50.00 C ATOM 1729 O HIS A 119 -14.545 22.203 13.134 1.00 50.00 O ATOM 1730 CB HIS A 119 -14.314 21.530 16.256 1.00 50.00 C ATOM 1731 CG HIS A 119 -15.131 21.214 17.477 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.463 21.580 17.591 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -14.817 20.573 18.651 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -16.898 21.161 18.793 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -15.935 20.541 19.480 1.00 50.00 N ATOM 0 H HIS A 119 -14.135 19.144 16.172 1.00 50.00 H new ATOM 0 HA HIS A 119 -15.951 21.006 14.908 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.277 21.233 16.414 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -14.314 22.605 16.075 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -13.850 20.157 18.894 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -17.904 21.308 19.158 1.00 50.00 H new ATOM 0 HE2 HIS A 119 -16.004 20.132 20.412 1.00 50.00 H new ATOM 1743 N LEU A 120 -13.147 20.524 13.378 1.00 12.50 N ATOM 1744 CA LEU A 120 -12.402 20.897 12.140 1.00 12.50 C ATOM 1745 C LEU A 120 -13.377 21.300 11.030 1.00 12.50 C ATOM 1746 O LEU A 120 -14.507 20.854 10.990 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.637 19.634 11.743 1.00 12.50 C ATOM 1748 CG LEU A 120 -10.137 19.867 11.927 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -9.735 19.493 13.355 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.362 18.998 10.936 1.00 12.50 C ATOM 0 H LEU A 120 -12.791 19.702 13.867 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.738 21.746 12.302 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.963 18.792 12.354 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.851 19.377 10.706 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.907 20.917 11.748 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -8.666 19.659 13.487 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -10.288 20.111 14.062 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -9.964 18.443 13.534 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.292 19.163 11.066 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.592 17.948 11.116 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -9.649 19.263 9.918 1.00 12.50 H new