USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000113 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -56:sc= 0.0049 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.43! C(o=-3.4!,f=-3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -170:sc= 0.0909 USER MOD Single : A 36 SER OG : rot 43:sc= 0.072 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.458 F(o=-1.4,f=-0.46) USER MOD Single : A 56 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.372 K(o=-0.37,f=-6!) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.0201 F(o=-0.78,f=0.02) USER MOD Single : A 70 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-0.92) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.809 USER MOD Single : A 78 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.15) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.324 5.010 27.966 1.00 0.00 N ATOM 2 CA GLY A 1 -7.683 4.986 26.664 1.00 0.00 C ATOM 3 C GLY A 1 -6.194 5.257 26.745 1.00 0.00 C ATOM 4 O GLY A 1 -5.769 6.257 27.324 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.340 4.819 27.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.899 4.282 28.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.192 5.946 28.401 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.847 4.014 26.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.150 5.730 26.019 1.00 0.00 H new ATOM 8 N SER A 2 -5.399 4.364 26.165 1.00 0.00 N ATOM 9 CA SER A 2 -3.948 4.509 26.179 1.00 0.00 C ATOM 10 C SER A 2 -3.505 5.634 25.247 1.00 0.00 C ATOM 11 O SER A 2 -4.325 6.246 24.563 1.00 0.00 O ATOM 12 CB SER A 2 -3.279 3.197 25.766 1.00 0.00 C ATOM 13 OG SER A 2 -1.969 3.103 26.297 1.00 0.00 O ATOM 0 H SER A 2 -5.735 3.532 25.679 1.00 0.00 H new ATOM 0 HA SER A 2 -3.643 4.760 27.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.877 2.355 26.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.239 3.132 24.679 1.00 0.00 H new ATOM 0 HG SER A 2 -1.564 2.255 26.020 1.00 0.00 H new ATOM 19 N SER A 3 -2.203 5.899 25.228 1.00 0.00 N ATOM 20 CA SER A 3 -1.651 6.952 24.384 1.00 0.00 C ATOM 21 C SER A 3 -1.001 6.363 23.135 1.00 0.00 C ATOM 22 O SER A 3 -1.264 6.806 22.018 1.00 0.00 O ATOM 23 CB SER A 3 -0.625 7.776 25.165 1.00 0.00 C ATOM 24 OG SER A 3 -1.259 8.787 25.930 1.00 0.00 O ATOM 0 H SER A 3 -1.511 5.400 25.787 1.00 0.00 H new ATOM 0 HA SER A 3 -2.470 7.602 24.075 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.054 7.122 25.823 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.084 8.230 24.473 1.00 0.00 H new ATOM 0 HG SER A 3 -0.582 9.298 26.421 1.00 0.00 H new ATOM 30 N GLY A 4 -0.151 5.360 23.335 1.00 0.00 N ATOM 31 CA GLY A 4 0.523 4.726 22.217 1.00 0.00 C ATOM 32 C GLY A 4 1.936 4.297 22.560 1.00 0.00 C ATOM 33 O GLY A 4 2.692 5.055 23.167 1.00 0.00 O ATOM 0 H GLY A 4 0.083 4.976 24.250 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.050 3.856 21.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.551 5.417 21.374 1.00 0.00 H new ATOM 37 N SER A 5 2.293 3.077 22.172 1.00 0.00 N ATOM 38 CA SER A 5 3.622 2.545 22.447 1.00 0.00 C ATOM 39 C SER A 5 4.589 2.889 21.318 1.00 0.00 C ATOM 40 O SER A 5 5.392 2.056 20.898 1.00 0.00 O ATOM 41 CB SER A 5 3.560 1.028 22.636 1.00 0.00 C ATOM 42 OG SER A 5 4.679 0.559 23.366 1.00 0.00 O ATOM 0 H SER A 5 1.680 2.438 21.666 1.00 0.00 H new ATOM 0 HA SER A 5 3.986 3.003 23.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.642 0.761 23.160 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.526 0.538 21.663 1.00 0.00 H new ATOM 0 HG SER A 5 5.504 0.836 22.915 1.00 0.00 H new ATOM 48 N SER A 6 4.505 4.123 20.830 1.00 0.00 N ATOM 49 CA SER A 6 5.368 4.577 19.747 1.00 0.00 C ATOM 50 C SER A 6 5.939 5.960 20.050 1.00 0.00 C ATOM 51 O SER A 6 5.391 6.705 20.861 1.00 0.00 O ATOM 52 CB SER A 6 4.593 4.611 18.428 1.00 0.00 C ATOM 53 OG SER A 6 4.078 3.331 18.107 1.00 0.00 O ATOM 0 H SER A 6 3.848 4.826 21.168 1.00 0.00 H new ATOM 0 HA SER A 6 6.195 3.873 19.656 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.775 5.328 18.501 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.247 4.955 17.627 1.00 0.00 H new ATOM 0 HG SER A 6 3.586 3.379 17.261 1.00 0.00 H new ATOM 59 N GLY A 7 7.044 6.294 19.392 1.00 0.00 N ATOM 60 CA GLY A 7 7.672 7.586 19.604 1.00 0.00 C ATOM 61 C GLY A 7 9.012 7.471 20.302 1.00 0.00 C ATOM 62 O GLY A 7 10.006 8.038 19.847 1.00 0.00 O ATOM 0 H GLY A 7 7.516 5.694 18.716 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.808 8.083 18.643 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.009 8.216 20.198 1.00 0.00 H new ATOM 66 N GLU A 8 9.041 6.737 21.410 1.00 0.00 N ATOM 67 CA GLU A 8 10.270 6.553 22.173 1.00 0.00 C ATOM 68 C GLU A 8 10.969 5.257 21.773 1.00 0.00 C ATOM 69 O GLU A 8 12.188 5.221 21.610 1.00 0.00 O ATOM 70 CB GLU A 8 9.969 6.542 23.673 1.00 0.00 C ATOM 71 CG GLU A 8 9.902 7.929 24.291 1.00 0.00 C ATOM 72 CD GLU A 8 10.063 7.904 25.798 1.00 0.00 C ATOM 73 OE1 GLU A 8 11.215 7.986 26.274 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.037 7.803 26.503 1.00 0.00 O ATOM 0 H GLU A 8 8.228 6.260 21.799 1.00 0.00 H new ATOM 0 HA GLU A 8 10.935 7.388 21.950 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.020 6.033 23.841 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.737 5.962 24.185 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.682 8.554 23.856 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.947 8.389 24.039 1.00 0.00 H new ATOM 81 N GLY A 9 10.187 4.193 21.618 1.00 0.00 N ATOM 82 CA GLY A 9 10.748 2.909 21.240 1.00 0.00 C ATOM 83 C GLY A 9 10.606 2.629 19.757 1.00 0.00 C ATOM 84 O GLY A 9 9.525 2.783 19.190 1.00 0.00 O ATOM 0 H GLY A 9 9.175 4.197 21.747 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.803 2.882 21.512 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.253 2.119 21.805 1.00 0.00 H new ATOM 88 N ASP A 10 11.701 2.217 19.128 1.00 0.00 N ATOM 89 CA ASP A 10 11.695 1.915 17.701 1.00 0.00 C ATOM 90 C ASP A 10 10.591 0.920 17.361 1.00 0.00 C ATOM 91 O ASP A 10 10.136 0.147 18.205 1.00 0.00 O ATOM 92 CB ASP A 10 13.053 1.357 17.270 1.00 0.00 C ATOM 93 CG ASP A 10 13.624 0.381 18.280 1.00 0.00 C ATOM 94 OD1 ASP A 10 14.050 0.831 19.364 1.00 0.00 O ATOM 95 OD2 ASP A 10 13.645 -0.833 17.986 1.00 0.00 O ATOM 0 H ASP A 10 12.604 2.084 19.583 1.00 0.00 H new ATOM 0 HA ASP A 10 11.503 2.841 17.159 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.949 0.859 16.306 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.753 2.181 17.129 1.00 0.00 H new ATOM 100 N PRO A 11 10.147 0.937 16.095 1.00 0.00 N ATOM 101 CA PRO A 11 9.090 0.043 15.615 1.00 0.00 C ATOM 102 C PRO A 11 9.550 -1.409 15.537 1.00 0.00 C ATOM 103 O PRO A 11 10.661 -1.740 15.948 1.00 0.00 O ATOM 104 CB PRO A 11 8.778 0.581 14.216 1.00 0.00 C ATOM 105 CG PRO A 11 10.031 1.264 13.785 1.00 0.00 C ATOM 106 CD PRO A 11 10.643 1.831 15.036 1.00 0.00 C ATOM 0 HA PRO A 11 8.230 0.033 16.284 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.511 -0.225 13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.936 1.273 14.237 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.711 0.563 13.301 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.818 2.052 13.063 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.732 1.830 14.987 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.333 2.862 15.203 1.00 0.00 H new ATOM 114 N GLU A 12 8.687 -2.271 15.007 1.00 0.00 N ATOM 115 CA GLU A 12 9.007 -3.688 14.876 1.00 0.00 C ATOM 116 C GLU A 12 9.327 -4.042 13.427 1.00 0.00 C ATOM 117 O GLU A 12 8.427 -4.211 12.605 1.00 0.00 O ATOM 118 CB GLU A 12 7.842 -4.544 15.377 1.00 0.00 C ATOM 119 CG GLU A 12 6.557 -4.343 14.592 1.00 0.00 C ATOM 120 CD GLU A 12 5.320 -4.678 15.402 1.00 0.00 C ATOM 121 OE1 GLU A 12 4.924 -3.851 16.250 1.00 0.00 O ATOM 122 OE2 GLU A 12 4.747 -5.767 15.189 1.00 0.00 O ATOM 0 H GLU A 12 7.762 -2.013 14.662 1.00 0.00 H new ATOM 0 HA GLU A 12 9.888 -3.894 15.484 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.127 -5.595 15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.657 -4.313 16.426 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.498 -3.307 14.258 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.581 -4.966 13.698 1.00 0.00 H new ATOM 129 N ASN A 13 10.615 -4.151 13.121 1.00 0.00 N ATOM 130 CA ASN A 13 11.055 -4.484 11.771 1.00 0.00 C ATOM 131 C ASN A 13 10.148 -3.837 10.728 1.00 0.00 C ATOM 132 O ASN A 13 9.973 -4.364 9.631 1.00 0.00 O ATOM 133 CB ASN A 13 11.072 -6.002 11.577 1.00 0.00 C ATOM 134 CG ASN A 13 12.411 -6.616 11.937 1.00 0.00 C ATOM 135 OD1 ASN A 13 13.058 -7.254 11.107 1.00 0.00 O ATOM 136 ND2 ASN A 13 12.833 -6.425 13.182 1.00 0.00 N ATOM 0 H ASN A 13 11.373 -4.014 13.790 1.00 0.00 H new ATOM 0 HA ASN A 13 12.065 -4.096 11.639 1.00 0.00 H new ATOM 0 HB2 ASN A 13 10.292 -6.453 12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 13 10.836 -6.236 10.539 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.726 -6.814 13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.264 -5.889 13.837 1.00 0.00 H new ATOM 143 N GLY A 14 9.574 -2.691 11.081 1.00 0.00 N ATOM 144 CA GLY A 14 8.693 -1.990 10.165 1.00 0.00 C ATOM 145 C GLY A 14 7.486 -1.396 10.863 1.00 0.00 C ATOM 146 O GLY A 14 7.159 -1.779 11.986 1.00 0.00 O ATOM 0 H GLY A 14 9.703 -2.236 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.249 -1.195 9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.358 -2.679 9.389 1.00 0.00 H new ATOM 150 N GLU A 15 6.822 -0.456 10.197 1.00 0.00 N ATOM 151 CA GLU A 15 5.646 0.194 10.763 1.00 0.00 C ATOM 152 C GLU A 15 4.532 0.301 9.726 1.00 0.00 C ATOM 153 O GLU A 15 4.790 0.359 8.523 1.00 0.00 O ATOM 154 CB GLU A 15 6.006 1.586 11.286 1.00 0.00 C ATOM 155 CG GLU A 15 6.598 2.500 10.226 1.00 0.00 C ATOM 156 CD GLU A 15 7.235 3.743 10.817 1.00 0.00 C ATOM 157 OE1 GLU A 15 7.618 3.706 12.005 1.00 0.00 O ATOM 158 OE2 GLU A 15 7.351 4.752 10.090 1.00 0.00 O ATOM 0 H GLU A 15 7.078 -0.128 9.266 1.00 0.00 H new ATOM 0 HA GLU A 15 5.290 -0.416 11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.111 2.053 11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.718 1.484 12.105 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.345 1.950 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.815 2.795 9.527 1.00 0.00 H new ATOM 165 N LYS A 16 3.291 0.327 10.199 1.00 0.00 N ATOM 166 CA LYS A 16 2.136 0.428 9.315 1.00 0.00 C ATOM 167 C LYS A 16 1.914 1.871 8.872 1.00 0.00 C ATOM 168 O LYS A 16 1.710 2.761 9.700 1.00 0.00 O ATOM 169 CB LYS A 16 0.882 -0.099 10.018 1.00 0.00 C ATOM 170 CG LYS A 16 1.003 -1.543 10.475 1.00 0.00 C ATOM 171 CD LYS A 16 0.020 -1.859 11.589 1.00 0.00 C ATOM 172 CE LYS A 16 -1.321 -2.315 11.037 1.00 0.00 C ATOM 173 NZ LYS A 16 -2.013 -3.253 11.964 1.00 0.00 N ATOM 0 H LYS A 16 3.059 0.279 11.191 1.00 0.00 H new ATOM 0 HA LYS A 16 2.332 -0.179 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.668 0.530 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.032 -0.011 9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.824 -2.209 9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.019 -1.732 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.434 -2.637 12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.123 -0.975 12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.955 -1.446 10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.170 -2.802 10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.923 -3.541 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.420 -4.094 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.180 -2.780 12.875 1.00 0.00 H new ATOM 187 N LEU A 17 1.954 2.096 7.564 1.00 0.00 N ATOM 188 CA LEU A 17 1.756 3.431 7.011 1.00 0.00 C ATOM 189 C LEU A 17 0.644 3.428 5.966 1.00 0.00 C ATOM 190 O LEU A 17 0.625 2.584 5.070 1.00 0.00 O ATOM 191 CB LEU A 17 3.055 3.945 6.389 1.00 0.00 C ATOM 192 CG LEU A 17 4.281 3.950 7.302 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.558 3.856 6.483 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.293 5.198 8.172 1.00 0.00 C ATOM 0 H LEU A 17 2.122 1.371 6.866 1.00 0.00 H new ATOM 0 HA LEU A 17 1.463 4.095 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.281 3.336 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.887 4.962 6.034 1.00 0.00 H new ATOM 0 HG LEU A 17 4.228 3.078 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.420 3.861 7.151 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.552 2.932 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.619 4.708 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.173 5.185 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.321 6.084 7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.394 5.221 8.787 1.00 0.00 H new ATOM 206 N GLN A 18 -0.277 4.378 6.086 1.00 0.00 N ATOM 207 CA GLN A 18 -1.390 4.485 5.151 1.00 0.00 C ATOM 208 C GLN A 18 -1.145 5.600 4.139 1.00 0.00 C ATOM 209 O GLN A 18 -0.484 6.593 4.442 1.00 0.00 O ATOM 210 CB GLN A 18 -2.695 4.744 5.905 1.00 0.00 C ATOM 211 CG GLN A 18 -3.912 4.848 5.000 1.00 0.00 C ATOM 212 CD GLN A 18 -5.044 5.634 5.631 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.156 6.846 5.440 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.891 4.948 6.388 1.00 0.00 N ATOM 0 H GLN A 18 -0.274 5.085 6.822 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.471 3.541 4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.855 3.940 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.598 5.667 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.623 5.323 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.264 3.846 4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.760 3.945 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.673 5.424 6.839 1.00 0.00 H new ATOM 223 N ILE A 19 -1.683 5.428 2.936 1.00 0.00 N ATOM 224 CA ILE A 19 -1.523 6.420 1.879 1.00 0.00 C ATOM 225 C ILE A 19 -2.845 6.681 1.166 1.00 0.00 C ATOM 226 O ILE A 19 -3.583 5.751 0.840 1.00 0.00 O ATOM 227 CB ILE A 19 -0.473 5.976 0.844 1.00 0.00 C ATOM 228 CG1 ILE A 19 0.873 5.721 1.527 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.328 7.025 -0.248 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.556 6.983 2.006 1.00 0.00 C ATOM 0 H ILE A 19 -2.233 4.612 2.669 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.183 7.339 2.357 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.808 5.046 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.720 5.055 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.532 5.203 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.418 6.696 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.286 7.162 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.012 7.970 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.504 6.727 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.741 7.641 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.916 7.492 2.727 1.00 0.00 H new ATOM 242 N THR A 20 -3.139 7.955 0.923 1.00 0.00 N ATOM 243 CA THR A 20 -4.371 8.340 0.247 1.00 0.00 C ATOM 244 C THR A 20 -4.091 8.840 -1.165 1.00 0.00 C ATOM 245 O THR A 20 -3.391 9.836 -1.353 1.00 0.00 O ATOM 246 CB THR A 20 -5.122 9.435 1.028 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.693 8.883 2.220 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.218 10.053 0.174 1.00 0.00 C ATOM 0 H THR A 20 -2.540 8.738 1.185 1.00 0.00 H new ATOM 0 HA THR A 20 -4.995 7.448 0.196 1.00 0.00 H new ATOM 0 HB THR A 20 -4.408 10.214 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.167 9.586 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.734 10.823 0.747 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.777 10.498 -0.718 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.929 9.281 -0.120 1.00 0.00 H new ATOM 256 N ILE A 21 -4.641 8.145 -2.154 1.00 0.00 N ATOM 257 CA ILE A 21 -4.451 8.521 -3.550 1.00 0.00 C ATOM 258 C ILE A 21 -5.728 9.111 -4.139 1.00 0.00 C ATOM 259 O ILE A 21 -6.801 8.515 -4.042 1.00 0.00 O ATOM 260 CB ILE A 21 -4.014 7.315 -4.403 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.705 6.731 -3.868 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.860 7.726 -5.860 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.353 5.387 -4.467 1.00 0.00 C ATOM 0 H ILE A 21 -5.222 7.318 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.663 9.274 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.785 6.547 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.895 7.432 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.778 6.629 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.551 6.864 -6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.813 8.100 -6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.106 8.509 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.414 5.034 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.144 4.671 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.247 5.487 -5.547 1.00 0.00 H new ATOM 275 N ARG A 22 -5.603 10.283 -4.752 1.00 0.00 N ATOM 276 CA ARG A 22 -6.747 10.954 -5.358 1.00 0.00 C ATOM 277 C ARG A 22 -6.708 10.828 -6.878 1.00 0.00 C ATOM 278 O ARG A 22 -5.792 11.332 -7.529 1.00 0.00 O ATOM 279 CB ARG A 22 -6.771 12.430 -4.958 1.00 0.00 C ATOM 280 CG ARG A 22 -8.155 13.056 -5.021 1.00 0.00 C ATOM 281 CD ARG A 22 -8.162 14.452 -4.419 1.00 0.00 C ATOM 282 NE ARG A 22 -8.005 14.424 -2.967 1.00 0.00 N ATOM 283 CZ ARG A 22 -6.827 14.453 -2.355 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.708 14.512 -3.065 1.00 0.00 N ATOM 285 NH2 ARG A 22 -6.765 14.425 -1.030 1.00 0.00 N ATOM 0 H ARG A 22 -4.721 10.788 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.654 10.472 -4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.382 12.529 -3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.100 12.986 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.487 13.104 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.866 12.425 -4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.357 15.040 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.097 14.951 -4.673 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.846 14.380 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.751 14.535 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.805 14.534 -2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.623 14.381 -0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.859 14.447 -0.561 1.00 0.00 H new ATOM 299 N ARG A 23 -7.707 10.153 -7.437 1.00 0.00 N ATOM 300 CA ARG A 23 -7.785 9.960 -8.880 1.00 0.00 C ATOM 301 C ARG A 23 -7.688 11.295 -9.613 1.00 0.00 C ATOM 302 O ARG A 23 -8.588 12.129 -9.526 1.00 0.00 O ATOM 303 CB ARG A 23 -9.091 9.256 -9.252 1.00 0.00 C ATOM 304 CG ARG A 23 -9.068 8.616 -10.630 1.00 0.00 C ATOM 305 CD ARG A 23 -10.382 7.917 -10.943 1.00 0.00 C ATOM 306 NE ARG A 23 -10.281 7.065 -12.125 1.00 0.00 N ATOM 307 CZ ARG A 23 -9.807 5.825 -12.098 1.00 0.00 C ATOM 308 NH1 ARG A 23 -9.392 5.294 -10.956 1.00 0.00 N ATOM 309 NH2 ARG A 23 -9.747 5.112 -13.216 1.00 0.00 N ATOM 0 H ARG A 23 -8.473 9.731 -6.913 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.944 9.336 -9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.305 8.489 -8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.907 9.977 -9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.872 9.379 -11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.250 7.897 -10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.685 7.314 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.161 8.663 -11.099 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.592 7.443 -13.020 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.436 5.838 -10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.028 4.341 -10.939 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.065 5.517 -14.097 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.383 4.160 -13.194 1.00 0.00 H new ATOM 323 N GLY A 24 -6.589 11.489 -10.336 1.00 0.00 N ATOM 324 CA GLY A 24 -6.394 12.724 -11.073 1.00 0.00 C ATOM 325 C GLY A 24 -7.376 12.876 -12.218 1.00 0.00 C ATOM 326 O GLY A 24 -8.548 13.188 -12.004 1.00 0.00 O ATOM 0 H GLY A 24 -5.830 10.813 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.499 13.570 -10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.377 12.754 -11.464 1.00 0.00 H new ATOM 330 N LYS A 25 -6.898 12.658 -13.438 1.00 0.00 N ATOM 331 CA LYS A 25 -7.740 12.773 -14.623 1.00 0.00 C ATOM 332 C LYS A 25 -8.139 11.396 -15.143 1.00 0.00 C ATOM 333 O LYS A 25 -9.322 11.057 -15.185 1.00 0.00 O ATOM 334 CB LYS A 25 -7.010 13.552 -15.719 1.00 0.00 C ATOM 335 CG LYS A 25 -7.877 13.857 -16.929 1.00 0.00 C ATOM 336 CD LYS A 25 -7.146 14.736 -17.931 1.00 0.00 C ATOM 337 CE LYS A 25 -7.159 16.196 -17.505 1.00 0.00 C ATOM 338 NZ LYS A 25 -8.396 16.893 -17.952 1.00 0.00 N ATOM 0 H LYS A 25 -5.930 12.400 -13.632 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.645 13.312 -14.344 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.640 14.489 -15.302 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.140 12.980 -16.041 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.174 12.925 -17.410 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.792 14.354 -16.606 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.116 14.395 -18.033 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.612 14.638 -18.911 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.079 16.258 -16.420 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.287 16.703 -17.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.367 17.885 -17.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.460 16.856 -18.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.227 16.425 -17.537 1.00 0.00 H new ATOM 352 N ASP A 26 -7.146 10.606 -15.536 1.00 0.00 N ATOM 353 CA ASP A 26 -7.394 9.265 -16.051 1.00 0.00 C ATOM 354 C ASP A 26 -6.598 8.226 -15.266 1.00 0.00 C ATOM 355 O ASP A 26 -5.437 7.958 -15.572 1.00 0.00 O ATOM 356 CB ASP A 26 -7.030 9.189 -17.534 1.00 0.00 C ATOM 357 CG ASP A 26 -5.774 9.972 -17.863 1.00 0.00 C ATOM 358 OD1 ASP A 26 -5.879 11.197 -18.081 1.00 0.00 O ATOM 359 OD2 ASP A 26 -4.687 9.359 -17.905 1.00 0.00 O ATOM 0 H ASP A 26 -6.162 10.871 -15.508 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.456 9.049 -15.934 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.889 8.146 -17.817 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.859 9.572 -18.129 1.00 0.00 H new ATOM 364 N GLY A 27 -7.231 7.646 -14.251 1.00 0.00 N ATOM 365 CA GLY A 27 -6.566 6.645 -13.437 1.00 0.00 C ATOM 366 C GLY A 27 -5.965 7.229 -12.175 1.00 0.00 C ATOM 367 O GLY A 27 -5.817 8.446 -12.054 1.00 0.00 O ATOM 0 H GLY A 27 -8.192 7.851 -13.978 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.280 5.866 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.780 6.168 -14.023 1.00 0.00 H new ATOM 371 N PHE A 28 -5.617 6.362 -11.230 1.00 0.00 N ATOM 372 CA PHE A 28 -5.031 6.800 -9.969 1.00 0.00 C ATOM 373 C PHE A 28 -3.594 7.271 -10.172 1.00 0.00 C ATOM 374 O PHE A 28 -3.260 8.421 -9.887 1.00 0.00 O ATOM 375 CB PHE A 28 -5.067 5.664 -8.944 1.00 0.00 C ATOM 376 CG PHE A 28 -6.454 5.314 -8.486 1.00 0.00 C ATOM 377 CD1 PHE A 28 -7.142 6.147 -7.619 1.00 0.00 C ATOM 378 CD2 PHE A 28 -7.069 4.151 -8.922 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.418 5.827 -7.196 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.345 3.826 -8.502 1.00 0.00 C ATOM 381 CZ PHE A 28 -9.021 4.665 -7.638 1.00 0.00 C ATOM 0 H PHE A 28 -5.731 5.352 -11.314 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.620 7.637 -9.595 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.602 4.779 -9.378 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.468 5.947 -8.079 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.676 7.057 -7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.545 3.491 -9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.944 6.485 -6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.813 2.917 -8.849 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.018 4.414 -7.309 1.00 0.00 H new ATOM 391 N GLY A 29 -2.747 6.373 -10.665 1.00 0.00 N ATOM 392 CA GLY A 29 -1.355 6.715 -10.897 1.00 0.00 C ATOM 393 C GLY A 29 -0.421 5.551 -10.635 1.00 0.00 C ATOM 394 O GLY A 29 0.495 5.292 -11.416 1.00 0.00 O ATOM 0 H GLY A 29 -2.999 5.415 -10.908 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.233 7.050 -11.927 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.078 7.551 -10.255 1.00 0.00 H new ATOM 398 N PHE A 30 -0.650 4.846 -9.532 1.00 0.00 N ATOM 399 CA PHE A 30 0.180 3.705 -9.167 1.00 0.00 C ATOM 400 C PHE A 30 -0.433 2.402 -9.673 1.00 0.00 C ATOM 401 O PHE A 30 -1.655 2.265 -9.748 1.00 0.00 O ATOM 402 CB PHE A 30 0.359 3.641 -7.649 1.00 0.00 C ATOM 403 CG PHE A 30 -0.761 2.931 -6.943 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.028 3.489 -6.890 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.546 1.706 -6.332 1.00 0.00 C ATOM 406 CE1 PHE A 30 -3.060 2.838 -6.240 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.574 1.051 -5.681 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.833 1.617 -5.636 1.00 0.00 C ATOM 0 H PHE A 30 -1.404 5.045 -8.875 1.00 0.00 H new ATOM 0 HA PHE A 30 1.156 3.834 -9.636 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.298 3.136 -7.423 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.440 4.655 -7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.212 4.443 -7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.436 1.258 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.043 3.284 -6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.393 0.097 -5.208 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.638 1.106 -5.130 1.00 0.00 H new ATOM 418 N THR A 31 0.424 1.447 -10.021 1.00 0.00 N ATOM 419 CA THR A 31 -0.032 0.157 -10.522 1.00 0.00 C ATOM 420 C THR A 31 0.410 -0.977 -9.603 1.00 0.00 C ATOM 421 O THR A 31 1.523 -0.964 -9.077 1.00 0.00 O ATOM 422 CB THR A 31 0.499 -0.114 -11.942 1.00 0.00 C ATOM 423 OG1 THR A 31 0.391 1.071 -12.739 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.274 -1.246 -12.602 1.00 0.00 C ATOM 0 H THR A 31 1.438 1.543 -9.965 1.00 0.00 H new ATOM 0 HA THR A 31 -1.121 0.196 -10.550 1.00 0.00 H new ATOM 0 HB THR A 31 1.546 -0.407 -11.865 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.732 0.891 -13.640 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.119 -1.419 -13.604 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.167 -2.154 -12.008 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.328 -0.977 -12.667 1.00 0.00 H new ATOM 432 N ILE A 32 -0.469 -1.955 -9.414 1.00 0.00 N ATOM 433 CA ILE A 32 -0.168 -3.097 -8.559 1.00 0.00 C ATOM 434 C ILE A 32 -0.761 -4.381 -9.129 1.00 0.00 C ATOM 435 O ILE A 32 -1.933 -4.423 -9.505 1.00 0.00 O ATOM 436 CB ILE A 32 -0.704 -2.887 -7.130 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.234 -2.907 -7.128 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.185 -1.577 -6.557 1.00 0.00 C ATOM 439 CD1 ILE A 32 -2.820 -4.281 -6.887 1.00 0.00 C ATOM 0 H ILE A 32 -1.395 -1.980 -9.841 1.00 0.00 H new ATOM 0 HA ILE A 32 0.918 -3.186 -8.521 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.348 -3.702 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.597 -2.226 -6.358 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.596 -2.529 -8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.572 -1.443 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.904 -1.599 -6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.515 -0.749 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.908 -4.220 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.486 -4.961 -7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.488 -4.653 -5.918 1.00 0.00 H new ATOM 451 N CYS A 33 0.055 -5.427 -9.187 1.00 0.00 N ATOM 452 CA CYS A 33 -0.388 -6.715 -9.710 1.00 0.00 C ATOM 453 C CYS A 33 0.402 -7.858 -9.082 1.00 0.00 C ATOM 454 O CYS A 33 1.631 -7.895 -9.163 1.00 0.00 O ATOM 455 CB CYS A 33 -0.238 -6.750 -11.232 1.00 0.00 C ATOM 456 SG CYS A 33 -1.309 -7.954 -12.052 1.00 0.00 S ATOM 0 H CYS A 33 1.027 -5.409 -8.878 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.440 -6.841 -9.453 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.453 -5.758 -11.630 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.800 -6.975 -11.479 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.111 -7.907 -13.336 1.00 0.00 H new ATOM 462 N CYS A 34 -0.310 -8.789 -8.456 1.00 0.00 N ATOM 463 CA CYS A 34 0.325 -9.933 -7.812 1.00 0.00 C ATOM 464 C CYS A 34 -0.721 -10.894 -7.257 1.00 0.00 C ATOM 465 O CYS A 34 -1.918 -10.609 -7.287 1.00 0.00 O ATOM 466 CB CYS A 34 1.251 -9.463 -6.689 1.00 0.00 C ATOM 467 SG CYS A 34 2.657 -10.558 -6.384 1.00 0.00 S ATOM 0 H CYS A 34 -1.327 -8.774 -8.381 1.00 0.00 H new ATOM 0 HA CYS A 34 0.914 -10.460 -8.562 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.625 -8.469 -6.933 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.672 -9.369 -5.771 1.00 0.00 H new ATOM 0 HG CYS A 34 3.260 -10.195 -5.291 1.00 0.00 H new ATOM 473 N ASP A 35 -0.261 -12.034 -6.753 1.00 0.00 N ATOM 474 CA ASP A 35 -1.156 -13.038 -6.191 1.00 0.00 C ATOM 475 C ASP A 35 -1.070 -13.053 -4.668 1.00 0.00 C ATOM 476 O ASP A 35 0.020 -13.102 -4.099 1.00 0.00 O ATOM 477 CB ASP A 35 -0.818 -14.422 -6.747 1.00 0.00 C ATOM 478 CG ASP A 35 0.664 -14.590 -7.018 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.471 -13.902 -6.357 1.00 0.00 O ATOM 480 OD2 ASP A 35 1.018 -15.411 -7.890 1.00 0.00 O ATOM 0 H ASP A 35 0.727 -12.286 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.176 -12.779 -6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.144 -15.184 -6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.374 -14.585 -7.670 1.00 0.00 H new ATOM 485 N SER A 36 -2.226 -13.009 -4.015 1.00 0.00 N ATOM 486 CA SER A 36 -2.281 -13.012 -2.558 1.00 0.00 C ATOM 487 C SER A 36 -1.103 -13.783 -1.971 1.00 0.00 C ATOM 488 O SER A 36 -0.913 -14.971 -2.233 1.00 0.00 O ATOM 489 CB SER A 36 -3.597 -13.627 -2.077 1.00 0.00 C ATOM 490 OG SER A 36 -3.874 -14.838 -2.759 1.00 0.00 O ATOM 0 H SER A 36 -3.137 -12.971 -4.471 1.00 0.00 H new ATOM 0 HA SER A 36 -2.224 -11.979 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.544 -13.814 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.412 -12.921 -2.237 1.00 0.00 H new ATOM 0 HG SER A 36 -3.052 -15.367 -2.833 1.00 0.00 H new ATOM 496 N PRO A 37 -0.291 -13.092 -1.158 1.00 0.00 N ATOM 497 CA PRO A 37 -0.506 -11.678 -0.839 1.00 0.00 C ATOM 498 C PRO A 37 -0.244 -10.768 -2.034 1.00 0.00 C ATOM 499 O PRO A 37 0.556 -11.093 -2.911 1.00 0.00 O ATOM 500 CB PRO A 37 0.510 -11.406 0.273 1.00 0.00 C ATOM 501 CG PRO A 37 1.585 -12.415 0.059 1.00 0.00 C ATOM 502 CD PRO A 37 0.901 -13.638 -0.487 1.00 0.00 C ATOM 0 HA PRO A 37 -1.538 -11.478 -0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.902 -10.391 0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.057 -11.513 1.258 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.336 -12.044 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.101 -12.640 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.541 -14.179 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.631 -14.335 0.306 1.00 0.00 H new ATOM 510 N VAL A 38 -0.924 -9.626 -2.063 1.00 0.00 N ATOM 511 CA VAL A 38 -0.763 -8.668 -3.150 1.00 0.00 C ATOM 512 C VAL A 38 0.443 -7.766 -2.914 1.00 0.00 C ATOM 513 O VAL A 38 0.805 -7.482 -1.772 1.00 0.00 O ATOM 514 CB VAL A 38 -2.020 -7.792 -3.317 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.807 -6.754 -4.408 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.234 -8.656 -3.621 1.00 0.00 C ATOM 0 H VAL A 38 -1.592 -9.342 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.608 -9.246 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.202 -7.266 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.705 -6.145 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.964 -6.115 -4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.599 -7.256 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.113 -8.021 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.064 -9.211 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.397 -9.356 -2.802 1.00 0.00 H new ATOM 526 N ARG A 39 1.062 -7.319 -4.002 1.00 0.00 N ATOM 527 CA ARG A 39 2.230 -6.450 -3.914 1.00 0.00 C ATOM 528 C ARG A 39 2.141 -5.316 -4.932 1.00 0.00 C ATOM 529 O ARG A 39 1.240 -5.289 -5.770 1.00 0.00 O ATOM 530 CB ARG A 39 3.510 -7.255 -4.142 1.00 0.00 C ATOM 531 CG ARG A 39 4.108 -7.823 -2.865 1.00 0.00 C ATOM 532 CD ARG A 39 5.456 -8.476 -3.124 1.00 0.00 C ATOM 533 NE ARG A 39 5.322 -9.887 -3.476 1.00 0.00 N ATOM 534 CZ ARG A 39 6.278 -10.590 -4.073 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.432 -10.015 -4.383 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.081 -11.870 -4.361 1.00 0.00 N ATOM 0 H ARG A 39 0.774 -7.544 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 39 2.255 -6.017 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.297 -8.074 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.249 -6.617 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.224 -7.026 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.424 -8.555 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.966 -7.948 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.081 -8.382 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 39 4.446 -10.359 -3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.587 -9.031 -4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.165 -10.557 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.195 -12.315 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.816 -12.409 -4.819 1.00 0.00 H new ATOM 550 N VAL A 40 3.082 -4.381 -4.851 1.00 0.00 N ATOM 551 CA VAL A 40 3.111 -3.245 -5.765 1.00 0.00 C ATOM 552 C VAL A 40 3.876 -3.585 -7.039 1.00 0.00 C ATOM 553 O VAL A 40 4.864 -4.318 -7.005 1.00 0.00 O ATOM 554 CB VAL A 40 3.756 -2.011 -5.106 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.681 -0.809 -6.035 1.00 0.00 C ATOM 556 CG2 VAL A 40 3.086 -1.708 -3.774 1.00 0.00 C ATOM 0 H VAL A 40 3.834 -4.388 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 40 2.076 -3.014 -6.016 1.00 0.00 H new ATOM 0 HB VAL A 40 4.807 -2.229 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.141 0.053 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.210 -1.032 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.638 -0.586 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.554 -0.833 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.027 -1.510 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.197 -2.564 -3.108 1.00 0.00 H new ATOM 566 N GLN A 41 3.413 -3.045 -8.162 1.00 0.00 N ATOM 567 CA GLN A 41 4.053 -3.292 -9.449 1.00 0.00 C ATOM 568 C GLN A 41 5.007 -2.157 -9.808 1.00 0.00 C ATOM 569 O GLN A 41 6.189 -2.384 -10.062 1.00 0.00 O ATOM 570 CB GLN A 41 2.999 -3.454 -10.545 1.00 0.00 C ATOM 571 CG GLN A 41 3.584 -3.531 -11.946 1.00 0.00 C ATOM 572 CD GLN A 41 4.057 -4.926 -12.305 1.00 0.00 C ATOM 573 OE1 GLN A 41 5.152 -5.340 -11.923 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.232 -5.659 -13.043 1.00 0.00 N ATOM 0 H GLN A 41 2.598 -2.434 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 41 4.628 -4.215 -9.369 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.422 -4.358 -10.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.304 -2.615 -10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.833 -3.209 -12.667 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.420 -2.836 -12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.334 -5.275 -13.337 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.496 -6.606 -13.316 1.00 0.00 H new ATOM 583 N ALA A 42 4.484 -0.935 -9.828 1.00 0.00 N ATOM 584 CA ALA A 42 5.289 0.235 -10.154 1.00 0.00 C ATOM 585 C ALA A 42 4.573 1.522 -9.759 1.00 0.00 C ATOM 586 O ALA A 42 3.344 1.583 -9.750 1.00 0.00 O ATOM 587 CB ALA A 42 5.622 0.249 -11.639 1.00 0.00 C ATOM 0 H ALA A 42 3.506 -0.730 -9.622 1.00 0.00 H new ATOM 0 HA ALA A 42 6.217 0.177 -9.585 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.224 1.128 -11.869 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.182 -0.651 -11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.699 0.279 -12.219 1.00 0.00 H new ATOM 593 N VAL A 43 5.351 2.549 -9.431 1.00 0.00 N ATOM 594 CA VAL A 43 4.790 3.836 -9.034 1.00 0.00 C ATOM 595 C VAL A 43 5.093 4.911 -10.072 1.00 0.00 C ATOM 596 O VAL A 43 6.186 4.951 -10.638 1.00 0.00 O ATOM 597 CB VAL A 43 5.337 4.289 -7.668 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.757 5.641 -7.281 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.037 3.246 -6.601 1.00 0.00 C ATOM 0 H VAL A 43 6.370 2.515 -9.432 1.00 0.00 H new ATOM 0 HA VAL A 43 3.711 3.701 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 43 6.419 4.394 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.155 5.944 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.028 6.382 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.671 5.567 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.431 3.583 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.959 3.106 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.506 2.301 -6.874 1.00 0.00 H new ATOM 609 N ASP A 44 4.118 5.779 -10.317 1.00 0.00 N ATOM 610 CA ASP A 44 4.281 6.857 -11.287 1.00 0.00 C ATOM 611 C ASP A 44 5.176 7.959 -10.730 1.00 0.00 C ATOM 612 O ASP A 44 4.878 8.549 -9.691 1.00 0.00 O ATOM 613 CB ASP A 44 2.918 7.435 -11.671 1.00 0.00 C ATOM 614 CG ASP A 44 2.965 8.214 -12.971 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.020 8.814 -13.264 1.00 0.00 O ATOM 616 OD2 ASP A 44 1.947 8.224 -13.694 1.00 0.00 O ATOM 0 H ASP A 44 3.207 5.758 -9.858 1.00 0.00 H new ATOM 0 HA ASP A 44 4.756 6.444 -12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.195 6.624 -11.763 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.565 8.087 -10.872 1.00 0.00 H new ATOM 621 N SER A 45 6.275 8.231 -11.427 1.00 0.00 N ATOM 622 CA SER A 45 7.217 9.259 -10.999 1.00 0.00 C ATOM 623 C SER A 45 6.570 10.640 -11.044 1.00 0.00 C ATOM 624 O SER A 45 6.289 11.172 -12.117 1.00 0.00 O ATOM 625 CB SER A 45 8.464 9.238 -11.885 1.00 0.00 C ATOM 626 OG SER A 45 9.443 8.354 -11.367 1.00 0.00 O ATOM 0 H SER A 45 6.535 7.754 -12.290 1.00 0.00 H new ATOM 0 HA SER A 45 7.508 9.046 -9.970 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.191 8.932 -12.895 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.879 10.243 -11.958 1.00 0.00 H new ATOM 0 HG SER A 45 10.229 8.357 -11.952 1.00 0.00 H new ATOM 632 N GLY A 46 6.337 11.215 -9.868 1.00 0.00 N ATOM 633 CA GLY A 46 5.726 12.529 -9.793 1.00 0.00 C ATOM 634 C GLY A 46 4.218 12.476 -9.939 1.00 0.00 C ATOM 635 O GLY A 46 3.623 13.313 -10.618 1.00 0.00 O ATOM 0 H GLY A 46 6.561 10.794 -8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.980 12.990 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.142 13.165 -10.575 1.00 0.00 H new ATOM 639 N GLY A 47 3.597 11.488 -9.302 1.00 0.00 N ATOM 640 CA GLY A 47 2.155 11.346 -9.379 1.00 0.00 C ATOM 641 C GLY A 47 1.484 11.503 -8.029 1.00 0.00 C ATOM 642 O GLY A 47 2.122 11.838 -7.030 1.00 0.00 O ATOM 0 H GLY A 47 4.067 10.783 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.756 12.090 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.911 10.367 -9.791 1.00 0.00 H new ATOM 646 N PRO A 48 0.166 11.260 -7.986 1.00 0.00 N ATOM 647 CA PRO A 48 -0.620 11.371 -6.754 1.00 0.00 C ATOM 648 C PRO A 48 -0.286 10.272 -5.751 1.00 0.00 C ATOM 649 O PRO A 48 -0.580 10.393 -4.563 1.00 0.00 O ATOM 650 CB PRO A 48 -2.065 11.229 -7.241 1.00 0.00 C ATOM 651 CG PRO A 48 -1.962 10.452 -8.508 1.00 0.00 C ATOM 652 CD PRO A 48 -0.658 10.856 -9.138 1.00 0.00 C ATOM 0 HA PRO A 48 -0.422 12.305 -6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.681 10.710 -6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.524 12.203 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.984 9.380 -8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.800 10.672 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.204 10.031 -9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.790 11.675 -9.845 1.00 0.00 H new ATOM 660 N ALA A 49 0.331 9.201 -6.239 1.00 0.00 N ATOM 661 CA ALA A 49 0.708 8.081 -5.384 1.00 0.00 C ATOM 662 C ALA A 49 2.131 8.245 -4.860 1.00 0.00 C ATOM 663 O ALA A 49 2.381 8.105 -3.664 1.00 0.00 O ATOM 664 CB ALA A 49 0.571 6.769 -6.142 1.00 0.00 C ATOM 0 H ALA A 49 0.580 9.085 -7.221 1.00 0.00 H new ATOM 0 HA ALA A 49 0.033 8.066 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.856 5.942 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.463 6.640 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.222 6.784 -7.016 1.00 0.00 H new ATOM 670 N GLU A 50 3.059 8.543 -5.765 1.00 0.00 N ATOM 671 CA GLU A 50 4.457 8.724 -5.392 1.00 0.00 C ATOM 672 C GLU A 50 4.616 9.900 -4.433 1.00 0.00 C ATOM 673 O GLU A 50 5.127 9.746 -3.323 1.00 0.00 O ATOM 674 CB GLU A 50 5.315 8.947 -6.639 1.00 0.00 C ATOM 675 CG GLU A 50 6.794 8.677 -6.416 1.00 0.00 C ATOM 676 CD GLU A 50 7.529 8.360 -7.704 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.054 7.484 -8.457 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.578 8.987 -7.959 1.00 0.00 O ATOM 0 H GLU A 50 2.868 8.664 -6.760 1.00 0.00 H new ATOM 0 HA GLU A 50 4.793 7.818 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.953 8.301 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.189 9.975 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.252 9.547 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.907 7.843 -5.723 1.00 0.00 H new ATOM 685 N ARG A 51 4.177 11.076 -4.870 1.00 0.00 N ATOM 686 CA ARG A 51 4.272 12.279 -4.053 1.00 0.00 C ATOM 687 C ARG A 51 3.623 12.063 -2.689 1.00 0.00 C ATOM 688 O ARG A 51 4.155 12.486 -1.663 1.00 0.00 O ATOM 689 CB ARG A 51 3.607 13.459 -4.765 1.00 0.00 C ATOM 690 CG ARG A 51 4.351 13.918 -6.008 1.00 0.00 C ATOM 691 CD ARG A 51 3.750 15.193 -6.578 1.00 0.00 C ATOM 692 NE ARG A 51 3.857 16.312 -5.645 1.00 0.00 N ATOM 693 CZ ARG A 51 3.762 17.586 -6.012 1.00 0.00 C ATOM 694 NH1 ARG A 51 3.560 17.900 -7.284 1.00 0.00 N ATOM 695 NH2 ARG A 51 3.870 18.548 -5.105 1.00 0.00 N ATOM 0 H ARG A 51 3.752 11.221 -5.786 1.00 0.00 H new ATOM 0 HA ARG A 51 5.328 12.503 -3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.591 13.179 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.529 14.295 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.400 14.086 -5.764 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.321 13.132 -6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.256 15.448 -7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.701 15.022 -6.821 1.00 0.00 H new ATOM 0 HE ARG A 51 4.013 16.104 -4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.477 17.163 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.488 18.879 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.026 18.310 -4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.797 19.525 -5.387 1.00 0.00 H new ATOM 709 N ALA A 52 2.471 11.401 -2.686 1.00 0.00 N ATOM 710 CA ALA A 52 1.750 11.127 -1.449 1.00 0.00 C ATOM 711 C ALA A 52 2.641 10.405 -0.443 1.00 0.00 C ATOM 712 O ALA A 52 2.704 10.781 0.726 1.00 0.00 O ATOM 713 CB ALA A 52 0.502 10.305 -1.736 1.00 0.00 C ATOM 0 H ALA A 52 2.017 11.044 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 52 1.451 12.080 -1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.026 10.108 -0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.150 10.858 -2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.787 9.360 -2.198 1.00 0.00 H new ATOM 719 N GLY A 53 3.328 9.366 -0.907 1.00 0.00 N ATOM 720 CA GLY A 53 4.206 8.608 -0.034 1.00 0.00 C ATOM 721 C GLY A 53 4.133 7.116 -0.293 1.00 0.00 C ATOM 722 O GLY A 53 4.218 6.312 0.637 1.00 0.00 O ATOM 0 H GLY A 53 3.293 9.035 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.232 8.948 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.941 8.807 1.004 1.00 0.00 H new ATOM 726 N LEU A 54 3.975 6.744 -1.558 1.00 0.00 N ATOM 727 CA LEU A 54 3.889 5.337 -1.936 1.00 0.00 C ATOM 728 C LEU A 54 5.249 4.809 -2.379 1.00 0.00 C ATOM 729 O LEU A 54 5.963 5.465 -3.137 1.00 0.00 O ATOM 730 CB LEU A 54 2.867 5.153 -3.060 1.00 0.00 C ATOM 731 CG LEU A 54 2.151 3.802 -3.100 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.845 3.914 -3.871 1.00 0.00 C ATOM 733 CD2 LEU A 54 3.048 2.741 -3.718 1.00 0.00 C ATOM 0 H LEU A 54 3.904 7.396 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 54 3.566 4.770 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.116 5.938 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.374 5.302 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 54 1.921 3.503 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.349 2.944 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.197 4.644 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.052 4.235 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.522 1.787 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.309 3.033 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.957 2.642 -3.124 1.00 0.00 H new ATOM 745 N GLN A 55 5.599 3.618 -1.903 1.00 0.00 N ATOM 746 CA GLN A 55 6.874 3.001 -2.251 1.00 0.00 C ATOM 747 C GLN A 55 6.660 1.763 -3.115 1.00 0.00 C ATOM 748 O GLN A 55 5.709 1.009 -2.912 1.00 0.00 O ATOM 749 CB GLN A 55 7.647 2.628 -0.985 1.00 0.00 C ATOM 750 CG GLN A 55 9.133 2.415 -1.221 1.00 0.00 C ATOM 751 CD GLN A 55 9.850 1.893 0.009 1.00 0.00 C ATOM 752 OE1 GLN A 55 9.959 2.733 1.032 1.00 0.00 O flip ATOM 753 NE2 GLN A 55 10.301 0.748 0.039 1.00 0.00 N flip ATOM 0 H GLN A 55 5.018 3.062 -1.276 1.00 0.00 H new ATOM 0 HA GLN A 55 7.456 3.724 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.515 3.415 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.220 1.718 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.269 1.712 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.587 3.357 -1.529 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.194 0.137 -0.770 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.781 0.411 0.873 1.00 0.00 H new ATOM 762 N GLN A 56 7.552 1.559 -4.080 1.00 0.00 N ATOM 763 CA GLN A 56 7.460 0.412 -4.975 1.00 0.00 C ATOM 764 C GLN A 56 7.903 -0.866 -4.270 1.00 0.00 C ATOM 765 O GLN A 56 8.683 -0.823 -3.318 1.00 0.00 O ATOM 766 CB GLN A 56 8.313 0.643 -6.223 1.00 0.00 C ATOM 767 CG GLN A 56 7.900 -0.213 -7.410 1.00 0.00 C ATOM 768 CD GLN A 56 8.784 0.004 -8.622 1.00 0.00 C ATOM 769 OE1 GLN A 56 9.745 0.772 -8.574 1.00 0.00 O ATOM 770 NE2 GLN A 56 8.464 -0.674 -9.718 1.00 0.00 N ATOM 0 H GLN A 56 8.346 2.173 -4.261 1.00 0.00 H new ATOM 0 HA GLN A 56 6.418 0.298 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.252 1.694 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.356 0.437 -5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.934 -1.264 -7.124 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.867 0.013 -7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.659 -1.300 -9.713 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.023 -0.569 -10.564 1.00 0.00 H new ATOM 779 N LEU A 57 7.402 -2.001 -4.744 1.00 0.00 N ATOM 780 CA LEU A 57 7.746 -3.292 -4.159 1.00 0.00 C ATOM 781 C LEU A 57 7.223 -3.399 -2.730 1.00 0.00 C ATOM 782 O LEU A 57 7.852 -4.021 -1.873 1.00 0.00 O ATOM 783 CB LEU A 57 9.262 -3.494 -4.175 1.00 0.00 C ATOM 784 CG LEU A 57 9.943 -3.354 -5.537 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.429 -3.080 -5.365 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.723 -4.605 -6.375 1.00 0.00 C ATOM 0 H LEU A 57 6.756 -2.054 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 57 7.275 -4.071 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.712 -2.775 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.480 -4.487 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 57 9.496 -2.508 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.897 -2.983 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.566 -2.155 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.891 -3.905 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.215 -4.487 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.142 -5.468 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.655 -4.757 -6.528 1.00 0.00 H new ATOM 798 N ASP A 58 6.068 -2.792 -2.481 1.00 0.00 N ATOM 799 CA ASP A 58 5.458 -2.822 -1.157 1.00 0.00 C ATOM 800 C ASP A 58 4.384 -3.902 -1.078 1.00 0.00 C ATOM 801 O ASP A 58 3.860 -4.349 -2.099 1.00 0.00 O ATOM 802 CB ASP A 58 4.853 -1.458 -0.820 1.00 0.00 C ATOM 803 CG ASP A 58 5.848 -0.535 -0.143 1.00 0.00 C ATOM 804 OD1 ASP A 58 7.028 -0.531 -0.552 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.446 0.183 0.796 1.00 0.00 O ATOM 0 H ASP A 58 5.535 -2.273 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 58 6.236 -3.055 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.490 -0.989 -1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.990 -1.597 -0.169 1.00 0.00 H new ATOM 810 N THR A 59 4.060 -4.319 0.142 1.00 0.00 N ATOM 811 CA THR A 59 3.050 -5.348 0.355 1.00 0.00 C ATOM 812 C THR A 59 1.768 -4.751 0.924 1.00 0.00 C ATOM 813 O THR A 59 1.785 -4.096 1.966 1.00 0.00 O ATOM 814 CB THR A 59 3.559 -6.446 1.309 1.00 0.00 C ATOM 815 OG1 THR A 59 4.766 -7.020 0.796 1.00 0.00 O ATOM 816 CG2 THR A 59 2.511 -7.534 1.490 1.00 0.00 C ATOM 0 H THR A 59 4.483 -3.960 0.998 1.00 0.00 H new ATOM 0 HA THR A 59 2.840 -5.791 -0.619 1.00 0.00 H new ATOM 0 HB THR A 59 3.758 -5.990 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.084 -7.716 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.893 -8.298 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.603 -7.099 1.908 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.285 -7.986 0.524 1.00 0.00 H new ATOM 824 N VAL A 60 0.656 -4.982 0.233 1.00 0.00 N ATOM 825 CA VAL A 60 -0.636 -4.468 0.670 1.00 0.00 C ATOM 826 C VAL A 60 -1.150 -5.235 1.884 1.00 0.00 C ATOM 827 O VAL A 60 -1.139 -6.466 1.905 1.00 0.00 O ATOM 828 CB VAL A 60 -1.684 -4.551 -0.456 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.020 -3.999 0.015 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.197 -3.808 -1.691 1.00 0.00 C ATOM 0 H VAL A 60 0.624 -5.522 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.486 -3.423 0.940 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.825 -5.599 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.747 -4.066 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.372 -4.578 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.900 -2.956 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.949 -3.876 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.027 -2.761 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.266 -4.254 -2.040 1.00 0.00 H new ATOM 840 N LEU A 61 -1.601 -4.499 2.894 1.00 0.00 N ATOM 841 CA LEU A 61 -2.120 -5.109 4.113 1.00 0.00 C ATOM 842 C LEU A 61 -3.645 -5.060 4.139 1.00 0.00 C ATOM 843 O LEU A 61 -4.307 -6.093 4.228 1.00 0.00 O ATOM 844 CB LEU A 61 -1.554 -4.398 5.343 1.00 0.00 C ATOM 845 CG LEU A 61 -0.109 -4.739 5.709 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.297 -4.032 6.993 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.065 -6.245 5.849 1.00 0.00 C ATOM 0 H LEU A 61 -1.618 -3.479 2.893 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.808 -6.153 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.622 -3.322 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.189 -4.632 6.197 1.00 0.00 H new ATOM 0 HG LEU A 61 0.541 -4.392 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.328 -4.286 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.212 -2.954 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.357 -4.348 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.099 -6.469 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.595 -6.616 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.184 -6.729 4.905 1.00 0.00 H new ATOM 859 N GLN A 62 -4.194 -3.852 4.060 1.00 0.00 N ATOM 860 CA GLN A 62 -5.641 -3.669 4.074 1.00 0.00 C ATOM 861 C GLN A 62 -6.039 -2.423 3.289 1.00 0.00 C ATOM 862 O GLN A 62 -5.287 -1.450 3.225 1.00 0.00 O ATOM 863 CB GLN A 62 -6.149 -3.564 5.512 1.00 0.00 C ATOM 864 CG GLN A 62 -5.688 -2.306 6.230 1.00 0.00 C ATOM 865 CD GLN A 62 -5.960 -2.351 7.721 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.089 -2.038 8.533 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.174 -2.743 8.089 1.00 0.00 N ATOM 0 H GLN A 62 -3.660 -2.986 3.986 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.097 -4.537 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.239 -3.590 5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.812 -4.436 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.620 -2.168 6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.192 -1.441 5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.865 -2.993 7.382 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.415 -2.794 9.079 1.00 0.00 H new ATOM 876 N LEU A 63 -7.225 -2.461 2.692 1.00 0.00 N ATOM 877 CA LEU A 63 -7.724 -1.334 1.911 1.00 0.00 C ATOM 878 C LEU A 63 -9.093 -0.887 2.413 1.00 0.00 C ATOM 879 O LEU A 63 -9.917 -1.708 2.813 1.00 0.00 O ATOM 880 CB LEU A 63 -7.810 -1.713 0.431 1.00 0.00 C ATOM 881 CG LEU A 63 -8.524 -0.713 -0.478 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.547 0.332 -0.994 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.200 -1.432 -1.636 1.00 0.00 C ATOM 0 H LEU A 63 -7.859 -3.259 2.734 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.026 -0.505 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.797 -1.857 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.319 -2.673 0.352 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.292 -0.205 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.074 1.035 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.110 0.869 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.756 -0.158 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.703 -0.704 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.451 -1.967 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.931 -2.141 -1.247 1.00 0.00 H new ATOM 895 N ASN A 64 -9.330 0.421 2.386 1.00 0.00 N ATOM 896 CA ASN A 64 -10.600 0.977 2.837 1.00 0.00 C ATOM 897 C ASN A 64 -11.094 0.260 4.090 1.00 0.00 C ATOM 898 O ASN A 64 -12.268 -0.093 4.192 1.00 0.00 O ATOM 899 CB ASN A 64 -11.649 0.872 1.728 1.00 0.00 C ATOM 900 CG ASN A 64 -11.662 2.091 0.827 1.00 0.00 C ATOM 901 OD1 ASN A 64 -10.546 2.341 0.153 1.00 0.00 O flip ATOM 902 ND2 ASN A 64 -12.665 2.800 0.738 1.00 0.00 N flip ATOM 0 H ASN A 64 -8.659 1.115 2.057 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.442 2.028 3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.452 -0.017 1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.635 0.744 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.501 2.570 1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.659 3.617 0.128 1.00 0.00 H new ATOM 909 N GLU A 65 -10.189 0.050 5.041 1.00 0.00 N ATOM 910 CA GLU A 65 -10.533 -0.625 6.286 1.00 0.00 C ATOM 911 C GLU A 65 -11.010 -2.050 6.019 1.00 0.00 C ATOM 912 O GLU A 65 -11.904 -2.554 6.699 1.00 0.00 O ATOM 913 CB GLU A 65 -11.617 0.156 7.033 1.00 0.00 C ATOM 914 CG GLU A 65 -11.273 1.620 7.248 1.00 0.00 C ATOM 915 CD GLU A 65 -12.504 2.493 7.392 1.00 0.00 C ATOM 916 OE1 GLU A 65 -13.027 2.599 8.521 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.944 3.071 6.376 1.00 0.00 O ATOM 0 H GLU A 65 -9.213 0.338 4.973 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.636 -0.670 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.551 0.089 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.790 -0.314 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.657 1.717 8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.676 1.976 6.409 1.00 0.00 H new ATOM 924 N ARG A 66 -10.408 -2.693 5.024 1.00 0.00 N ATOM 925 CA ARG A 66 -10.772 -4.058 4.665 1.00 0.00 C ATOM 926 C ARG A 66 -9.528 -4.924 4.489 1.00 0.00 C ATOM 927 O ARG A 66 -8.514 -4.493 3.938 1.00 0.00 O ATOM 928 CB ARG A 66 -11.599 -4.067 3.378 1.00 0.00 C ATOM 929 CG ARG A 66 -12.927 -3.339 3.503 1.00 0.00 C ATOM 930 CD ARG A 66 -13.358 -2.734 2.176 1.00 0.00 C ATOM 931 NE ARG A 66 -14.568 -1.927 2.310 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.784 -2.444 2.451 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.950 -3.759 2.477 1.00 0.00 N ATOM 934 NH2 ARG A 66 -16.837 -1.645 2.566 1.00 0.00 N ATOM 0 H ARG A 66 -9.666 -2.290 4.452 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.371 -4.473 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.017 -3.609 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.787 -5.100 3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.692 -4.032 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.843 -2.552 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.552 -2.116 1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.532 -3.531 1.454 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.475 -0.911 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.143 -4.377 2.389 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.885 -4.153 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.714 -0.633 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.770 -2.043 2.674 1.00 0.00 H new ATOM 948 N PRO A 67 -9.604 -6.174 4.967 1.00 0.00 N ATOM 949 CA PRO A 67 -8.493 -7.127 4.874 1.00 0.00 C ATOM 950 C PRO A 67 -8.241 -7.585 3.442 1.00 0.00 C ATOM 951 O PRO A 67 -9.128 -8.138 2.792 1.00 0.00 O ATOM 952 CB PRO A 67 -8.960 -8.301 5.738 1.00 0.00 C ATOM 953 CG PRO A 67 -10.447 -8.220 5.717 1.00 0.00 C ATOM 954 CD PRO A 67 -10.780 -6.755 5.636 1.00 0.00 C ATOM 0 HA PRO A 67 -7.550 -6.688 5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.610 -9.252 5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.574 -8.223 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.855 -8.761 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.875 -8.669 6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.693 -6.581 5.066 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.934 -6.323 6.625 1.00 0.00 H new ATOM 962 N VAL A 68 -7.026 -7.353 2.956 1.00 0.00 N ATOM 963 CA VAL A 68 -6.657 -7.743 1.600 1.00 0.00 C ATOM 964 C VAL A 68 -5.291 -8.419 1.576 1.00 0.00 C ATOM 965 O VAL A 68 -4.599 -8.405 0.558 1.00 0.00 O ATOM 966 CB VAL A 68 -6.635 -6.530 0.653 1.00 0.00 C ATOM 967 CG1 VAL A 68 -7.840 -5.635 0.902 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.339 -5.750 0.816 1.00 0.00 C ATOM 0 H VAL A 68 -6.280 -6.897 3.481 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.414 -8.448 1.256 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.688 -6.892 -0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.807 -4.783 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.755 -6.201 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.822 -5.279 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.341 -4.896 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.253 -5.398 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.493 -6.397 0.582 1.00 0.00 H new ATOM 978 N GLU A 69 -4.909 -9.010 2.704 1.00 0.00 N ATOM 979 CA GLU A 69 -3.623 -9.690 2.811 1.00 0.00 C ATOM 980 C GLU A 69 -3.628 -10.990 2.012 1.00 0.00 C ATOM 981 O GLU A 69 -2.583 -11.457 1.559 1.00 0.00 O ATOM 982 CB GLU A 69 -3.296 -9.981 4.277 1.00 0.00 C ATOM 983 CG GLU A 69 -1.806 -10.009 4.575 1.00 0.00 C ATOM 984 CD GLU A 69 -1.187 -11.371 4.328 1.00 0.00 C ATOM 985 OE1 GLU A 69 -1.861 -12.228 3.719 1.00 0.00 O ATOM 986 OE2 GLU A 69 -0.029 -11.580 4.745 1.00 0.00 O ATOM 0 H GLU A 69 -5.471 -9.032 3.555 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.857 -9.033 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.769 -9.224 4.903 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.731 -10.941 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.302 -9.267 3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.642 -9.722 5.614 1.00 0.00 H new ATOM 993 N HIS A 70 -4.812 -11.571 1.844 1.00 0.00 N ATOM 994 CA HIS A 70 -4.954 -12.817 1.100 1.00 0.00 C ATOM 995 C HIS A 70 -5.803 -12.610 -0.151 1.00 0.00 C ATOM 996 O HIS A 70 -6.476 -13.529 -0.615 1.00 0.00 O ATOM 997 CB HIS A 70 -5.582 -13.895 1.984 1.00 0.00 C ATOM 998 CG HIS A 70 -7.022 -13.640 2.307 1.00 0.00 C ATOM 999 ND1 HIS A 70 -8.064 -14.205 1.602 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -7.592 -12.876 3.269 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -9.212 -13.798 2.114 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -8.953 -12.991 3.127 1.00 0.00 N ATOM 0 H HIS A 70 -5.687 -11.198 2.213 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.960 -13.143 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.496 -14.860 1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.017 -13.966 2.913 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.073 -12.286 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.195 -14.078 1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.651 -12.528 3.709 1.00 0.00 H new ATOM 1011 N TRP A 71 -5.765 -11.397 -0.690 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.532 -11.069 -1.887 1.00 0.00 C ATOM 1013 C TRP A 71 -5.644 -11.093 -3.126 1.00 0.00 C ATOM 1014 O TRP A 71 -4.434 -10.883 -3.039 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.185 -9.693 -1.738 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.292 -9.667 -0.728 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -8.489 -10.550 0.294 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.354 -8.711 -0.646 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -9.611 -10.201 1.007 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.159 -9.075 0.451 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.703 -7.581 -1.391 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.290 -8.351 0.818 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.826 -6.863 -1.026 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.608 -7.249 0.071 1.00 0.00 C ATOM 0 H TRP A 71 -5.212 -10.625 -0.318 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.311 -11.822 -2.007 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.424 -8.967 -1.451 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.578 -9.378 -2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.856 -11.398 0.511 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -9.976 -10.699 1.818 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.106 -7.274 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.895 -8.648 1.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.106 -5.989 -1.596 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.479 -6.666 0.332 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.252 -11.349 -4.279 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.517 -11.399 -5.538 1.00 0.00 C ATOM 1037 C LYS A 72 -5.801 -10.161 -6.383 1.00 0.00 C ATOM 1038 O LYS A 72 -6.863 -9.548 -6.266 1.00 0.00 O ATOM 1039 CB LYS A 72 -5.889 -12.660 -6.320 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.593 -13.949 -5.572 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.669 -15.157 -6.491 1.00 0.00 C ATOM 1042 CE LYS A 72 -4.885 -16.334 -5.930 1.00 0.00 C ATOM 1043 NZ LYS A 72 -4.612 -17.364 -6.970 1.00 0.00 N ATOM 0 H LYS A 72 -7.253 -11.525 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.452 -11.423 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.951 -12.627 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.346 -12.665 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.600 -13.892 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.304 -14.068 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.711 -15.445 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.278 -14.893 -7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.942 -15.978 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.444 -16.785 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.076 -18.149 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.512 -17.723 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.057 -16.940 -7.741 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.847 -9.801 -7.235 1.00 0.00 N ATOM 1058 CA CYS A 73 -4.996 -8.637 -8.101 1.00 0.00 C ATOM 1059 C CYS A 73 -6.451 -8.453 -8.520 1.00 0.00 C ATOM 1060 O CYS A 73 -6.967 -7.335 -8.538 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.110 -8.780 -9.339 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.507 -10.211 -10.370 1.00 0.00 S ATOM 0 H CYS A 73 -3.963 -10.298 -7.344 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.685 -7.756 -7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.198 -7.876 -9.942 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.070 -8.852 -9.022 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.705 -10.245 -11.393 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.108 -9.558 -8.859 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.503 -9.519 -9.279 1.00 0.00 C ATOM 1070 C VAL A 74 -9.420 -9.182 -8.109 1.00 0.00 C ATOM 1071 O VAL A 74 -10.311 -8.342 -8.228 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.943 -10.863 -9.890 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.126 -11.176 -11.135 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.818 -11.980 -8.866 1.00 0.00 C ATOM 0 H VAL A 74 -6.696 -10.491 -8.851 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.583 -8.740 -10.037 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.990 -10.784 -10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.451 -12.129 -11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.271 -10.387 -11.873 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.070 -11.236 -10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.133 -12.922 -9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.781 -12.062 -8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.451 -11.758 -8.007 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.195 -9.843 -6.977 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.002 -9.612 -5.785 1.00 0.00 C ATOM 1086 C GLU A 75 -9.862 -8.171 -5.303 1.00 0.00 C ATOM 1087 O GLU A 75 -10.851 -7.517 -4.970 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.592 -10.577 -4.670 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.703 -10.863 -3.674 1.00 0.00 C ATOM 1090 CD GLU A 75 -12.012 -11.228 -4.348 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -11.979 -12.017 -5.316 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -13.067 -10.726 -3.909 1.00 0.00 O ATOM 0 H GLU A 75 -8.461 -10.542 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.046 -9.790 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.265 -11.516 -5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.736 -10.162 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.397 -11.678 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.855 -9.987 -3.044 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.627 -7.684 -5.268 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.355 -6.320 -4.826 1.00 0.00 C ATOM 1101 C LEU A 76 -8.772 -5.310 -5.890 1.00 0.00 C ATOM 1102 O LEU A 76 -9.608 -4.442 -5.642 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.869 -6.154 -4.504 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.466 -4.828 -3.857 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.481 -4.419 -2.801 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.075 -4.931 -3.250 1.00 0.00 C ATOM 0 H LEU A 76 -7.798 -8.212 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.939 -6.133 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.569 -6.965 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.302 -6.272 -5.428 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.447 -4.060 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.178 -3.473 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.461 -4.303 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.533 -5.187 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.805 -3.978 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.067 -5.712 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.355 -5.177 -4.030 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.184 -5.430 -7.076 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.498 -4.531 -8.179 1.00 0.00 C ATOM 1120 C ALA A 77 -9.965 -4.117 -8.150 1.00 0.00 C ATOM 1121 O ALA A 77 -10.299 -2.957 -8.395 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.159 -5.188 -9.509 1.00 0.00 C ATOM 0 H ALA A 77 -7.487 -6.141 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.892 -3.632 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.399 -4.505 -10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.096 -5.427 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.739 -6.104 -9.621 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.839 -5.073 -7.850 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.272 -4.808 -7.790 1.00 0.00 C ATOM 1130 C HIS A 78 -12.585 -3.756 -6.730 1.00 0.00 C ATOM 1131 O HIS A 78 -13.252 -2.761 -7.008 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.038 -6.096 -7.489 1.00 0.00 C ATOM 1133 CG HIS A 78 -13.292 -6.939 -8.701 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -13.271 -8.317 -8.676 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -13.575 -6.591 -9.978 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -13.528 -8.781 -9.886 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -13.717 -7.753 -10.695 1.00 0.00 N ATOM 0 H HIS A 78 -10.580 -6.038 -7.645 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.587 -4.426 -8.761 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.477 -6.681 -6.761 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -13.992 -5.842 -7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -13.671 -5.586 -10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -13.576 -9.823 -10.166 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -13.933 -7.813 -11.690 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.099 -3.985 -5.514 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.330 -3.058 -4.412 1.00 0.00 C ATOM 1148 C GLU A 79 -11.784 -1.672 -4.745 1.00 0.00 C ATOM 1149 O GLU A 79 -12.499 -0.674 -4.653 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.677 -3.581 -3.131 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.340 -3.075 -1.860 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.743 -3.620 -1.678 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.000 -4.757 -2.125 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.584 -2.909 -1.090 1.00 0.00 O ATOM 0 H GLU A 79 -11.543 -4.804 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.406 -2.979 -4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.706 -4.671 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.627 -3.290 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.731 -3.355 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.377 -1.986 -1.883 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.513 -1.620 -5.131 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.872 -0.358 -5.477 1.00 0.00 C ATOM 1163 C ILE A 80 -10.760 0.477 -6.394 1.00 0.00 C ATOM 1164 O ILE A 80 -11.187 1.573 -6.032 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.514 -0.587 -6.166 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.540 -1.275 -5.207 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.939 0.733 -6.657 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.304 -1.819 -5.888 1.00 0.00 C ATOM 0 H ILE A 80 -9.908 -2.437 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.711 0.180 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.666 -1.237 -7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.238 -0.565 -4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.056 -2.092 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.979 0.554 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.627 1.186 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.798 1.406 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.659 -2.293 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.596 -2.554 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.765 -1.003 -6.369 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.035 -0.051 -7.583 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.873 0.645 -8.552 1.00 0.00 C ATOM 1182 C ARG A 81 -13.202 1.055 -7.926 1.00 0.00 C ATOM 1183 O ARG A 81 -13.756 2.106 -8.251 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.124 -0.243 -9.772 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.977 -0.248 -10.769 1.00 0.00 C ATOM 1186 CD ARG A 81 -11.312 -1.076 -11.999 1.00 0.00 C ATOM 1187 NE ARG A 81 -11.249 -2.510 -11.728 1.00 0.00 N ATOM 1188 CZ ARG A 81 -11.327 -3.441 -12.672 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -11.469 -3.090 -13.943 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -11.262 -4.725 -12.346 1.00 0.00 N ATOM 0 H ARG A 81 -10.690 -0.958 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.347 1.546 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.307 -1.264 -9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.030 0.094 -10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.749 0.775 -11.069 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.081 -0.647 -10.293 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.311 -0.817 -12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.618 -0.828 -12.803 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.139 -2.813 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.518 -2.103 -14.197 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.529 -3.807 -14.666 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.152 -4.998 -11.369 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.322 -5.439 -13.072 1.00 0.00 H new ATOM 1204 N SER A 82 -13.710 0.219 -7.025 1.00 0.00 N ATOM 1205 CA SER A 82 -14.976 0.493 -6.356 1.00 0.00 C ATOM 1206 C SER A 82 -15.156 1.990 -6.124 1.00 0.00 C ATOM 1207 O SER A 82 -16.177 2.569 -6.497 1.00 0.00 O ATOM 1208 CB SER A 82 -15.044 -0.253 -5.022 1.00 0.00 C ATOM 1209 OG SER A 82 -16.382 -0.364 -4.567 1.00 0.00 O ATOM 0 H SER A 82 -13.264 -0.653 -6.742 1.00 0.00 H new ATOM 0 HA SER A 82 -15.782 0.144 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.611 -1.247 -5.135 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.446 0.272 -4.277 1.00 0.00 H new ATOM 0 HG SER A 82 -16.398 -0.846 -3.714 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.157 2.610 -5.507 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.204 4.041 -5.224 1.00 0.00 C ATOM 1217 C CYS A 83 -13.250 4.807 -6.135 1.00 0.00 C ATOM 1218 O CYS A 83 -12.041 4.853 -5.911 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.850 4.303 -3.759 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.184 3.925 -2.598 1.00 0.00 S ATOM 0 H CYS A 83 -13.305 2.145 -5.193 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.219 4.391 -5.414 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.975 3.709 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.570 5.350 -3.646 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.788 4.177 -1.386 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.806 5.422 -7.189 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.023 6.197 -8.157 1.00 0.00 C ATOM 1228 C PRO A 84 -12.483 7.492 -7.561 1.00 0.00 C ATOM 1229 O PRO A 84 -11.319 7.840 -7.758 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.031 6.499 -9.268 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.361 6.450 -8.597 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.241 5.410 -7.517 1.00 0.00 C ATOM 0 HA PRO A 84 -12.143 5.653 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.848 7.477 -9.713 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.966 5.766 -10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.622 7.421 -8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.146 6.188 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.853 5.659 -6.650 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.565 4.429 -7.866 1.00 0.00 H new ATOM 1240 N SER A 85 -13.336 8.203 -6.830 1.00 0.00 N ATOM 1241 CA SER A 85 -12.945 9.463 -6.208 1.00 0.00 C ATOM 1242 C SER A 85 -11.580 9.336 -5.537 1.00 0.00 C ATOM 1243 O SER A 85 -10.580 9.843 -6.042 1.00 0.00 O ATOM 1244 CB SER A 85 -13.993 9.896 -5.181 1.00 0.00 C ATOM 1245 OG SER A 85 -15.244 10.137 -5.800 1.00 0.00 O ATOM 0 H SER A 85 -14.302 7.928 -6.654 1.00 0.00 H new ATOM 0 HA SER A 85 -12.878 10.221 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.103 9.123 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.656 10.799 -4.671 1.00 0.00 H new ATOM 0 HG SER A 85 -15.897 10.411 -5.122 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.550 8.656 -4.395 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.309 8.463 -3.654 1.00 0.00 C ATOM 1253 C GLU A 86 -10.232 7.051 -3.080 1.00 0.00 C ATOM 1254 O GLU A 86 -11.255 6.406 -2.851 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.198 9.491 -2.526 1.00 0.00 C ATOM 1256 CG GLU A 86 -8.935 9.348 -1.694 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.103 8.380 -0.539 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -10.212 8.329 0.034 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -8.128 7.675 -0.208 1.00 0.00 O ATOM 0 H GLU A 86 -12.370 8.230 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.478 8.601 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.229 10.493 -2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.066 9.396 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.120 9.007 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.648 10.325 -1.305 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.011 6.578 -2.851 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.800 5.244 -2.303 1.00 0.00 C ATOM 1268 C ILE A 87 -7.759 5.265 -1.190 1.00 0.00 C ATOM 1269 O ILE A 87 -6.762 5.983 -1.272 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.350 4.253 -3.393 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.156 4.819 -4.166 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.502 3.946 -4.338 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.247 3.754 -4.738 1.00 0.00 C ATOM 0 H ILE A 87 -8.154 7.099 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.756 4.915 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.041 3.324 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.524 5.446 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.577 5.462 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.168 3.244 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.326 3.506 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.838 4.868 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.423 4.227 -5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.850 3.141 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.812 3.125 -5.426 1.00 0.00 H new ATOM 1285 N ILE A 88 -7.996 4.472 -0.150 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.077 4.398 0.979 1.00 0.00 C ATOM 1287 C ILE A 88 -6.476 3.002 1.107 1.00 0.00 C ATOM 1288 O ILE A 88 -7.170 2.044 1.449 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.777 4.767 2.300 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.342 6.186 2.224 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.808 4.639 3.466 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.224 6.550 3.398 1.00 0.00 C ATOM 0 H ILE A 88 -8.817 3.872 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.281 5.118 0.786 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.604 4.075 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.516 6.895 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.915 6.291 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.317 4.903 4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.449 3.612 3.529 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.963 5.310 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.589 7.570 3.277 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.071 5.865 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.649 6.478 4.321 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.180 2.895 0.832 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.484 1.616 0.919 1.00 0.00 C ATOM 1306 C LEU A 89 -3.366 1.674 1.955 1.00 0.00 C ATOM 1307 O LEU A 89 -2.571 2.615 1.975 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.910 1.232 -0.446 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.097 2.312 -1.160 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.036 1.682 -2.050 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -4.011 3.216 -1.976 1.00 0.00 C ATOM 0 H LEU A 89 -4.591 3.678 0.547 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.204 0.859 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.277 0.354 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.735 0.938 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.596 2.919 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.468 2.466 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.363 1.078 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.516 1.050 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.415 3.979 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.540 2.622 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.733 3.696 -1.315 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.309 0.661 2.813 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.286 0.595 3.852 1.00 0.00 C ATOM 1325 C LEU A 90 -1.250 -0.476 3.528 1.00 0.00 C ATOM 1326 O LEU A 90 -1.595 -1.620 3.233 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.929 0.306 5.209 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.964 0.032 6.363 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.369 1.332 6.883 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.671 -0.718 7.483 1.00 0.00 C ATOM 0 H LEU A 90 -3.958 -0.125 2.810 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.782 1.560 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.556 1.155 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.588 -0.555 5.100 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.152 -0.592 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.685 1.116 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.826 1.831 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.169 1.982 7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.969 -0.904 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.504 -0.119 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.047 -1.668 7.104 1.00 0.00 H new ATOM 1342 N VAL A 91 0.023 -0.097 3.587 1.00 0.00 N ATOM 1343 CA VAL A 91 1.111 -1.026 3.304 1.00 0.00 C ATOM 1344 C VAL A 91 2.121 -1.053 4.445 1.00 0.00 C ATOM 1345 O VAL A 91 2.077 -0.217 5.347 1.00 0.00 O ATOM 1346 CB VAL A 91 1.838 -0.656 1.997 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.885 -0.735 0.814 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.454 0.731 2.105 1.00 0.00 C ATOM 0 H VAL A 91 0.326 0.847 3.828 1.00 0.00 H new ATOM 0 HA VAL A 91 0.664 -2.014 3.195 1.00 0.00 H new ATOM 0 HB VAL A 91 2.642 -1.374 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.417 -0.470 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.497 -1.750 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.058 -0.042 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.964 0.976 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.669 1.464 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.171 0.748 2.926 1.00 0.00 H new ATOM 1358 N TRP A 92 3.031 -2.019 4.398 1.00 0.00 N ATOM 1359 CA TRP A 92 4.054 -2.156 5.429 1.00 0.00 C ATOM 1360 C TRP A 92 5.412 -1.691 4.913 1.00 0.00 C ATOM 1361 O TRP A 92 5.839 -2.078 3.825 1.00 0.00 O ATOM 1362 CB TRP A 92 4.144 -3.609 5.898 1.00 0.00 C ATOM 1363 CG TRP A 92 5.260 -3.852 6.869 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.564 -4.122 6.567 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.169 -3.848 8.298 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.289 -4.286 7.723 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.457 -4.123 8.798 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.125 -3.637 9.203 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 6.725 -4.193 10.162 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 4.394 -3.708 10.557 1.00 0.00 C ATOM 1371 CH2 TRP A 92 5.685 -3.983 11.026 1.00 0.00 C ATOM 0 H TRP A 92 3.082 -2.719 3.658 1.00 0.00 H new ATOM 0 HA TRP A 92 3.771 -1.526 6.272 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.200 -3.892 6.363 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.279 -4.255 5.031 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.966 -4.196 5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.286 -4.495 7.772 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.127 -3.422 8.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 7.719 -4.406 10.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.595 -3.549 11.266 1.00 0.00 H new ATOM 0 HH2 TRP A 92 5.863 -4.030 12.090 1.00 0.00 H new ATOM 1382 N ARG A 93 6.086 -0.858 5.700 1.00 0.00 N ATOM 1383 CA ARG A 93 7.395 -0.340 5.322 1.00 0.00 C ATOM 1384 C ARG A 93 8.408 -0.551 6.443 1.00 0.00 C ATOM 1385 O ARG A 93 8.075 -0.440 7.623 1.00 0.00 O ATOM 1386 CB ARG A 93 7.298 1.148 4.980 1.00 0.00 C ATOM 1387 CG ARG A 93 8.353 1.615 3.991 1.00 0.00 C ATOM 1388 CD ARG A 93 8.011 2.980 3.415 1.00 0.00 C ATOM 1389 NE ARG A 93 6.992 2.895 2.372 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.348 3.950 1.885 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.618 5.165 2.343 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.434 3.791 0.937 1.00 0.00 N ATOM 0 H ARG A 93 5.747 -0.528 6.603 1.00 0.00 H new ATOM 0 HA ARG A 93 7.735 -0.887 4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.310 1.354 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.389 1.730 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.323 1.661 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.442 0.889 3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.658 3.632 4.214 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.912 3.436 3.005 1.00 0.00 H new ATOM 0 HE ARG A 93 6.762 1.975 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.321 5.291 3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.122 5.973 1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.225 2.858 0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.940 4.602 0.564 1.00 0.00 H new ATOM 1406 N VAL A 94 9.646 -0.855 6.066 1.00 0.00 N ATOM 1407 CA VAL A 94 10.708 -1.080 7.039 1.00 0.00 C ATOM 1408 C VAL A 94 11.907 -0.181 6.763 1.00 0.00 C ATOM 1409 O VAL A 94 12.539 -0.277 5.711 1.00 0.00 O ATOM 1410 CB VAL A 94 11.170 -2.549 7.035 1.00 0.00 C ATOM 1411 CG1 VAL A 94 11.730 -2.929 5.672 1.00 0.00 C ATOM 1412 CG2 VAL A 94 12.201 -2.786 8.129 1.00 0.00 C ATOM 0 H VAL A 94 9.938 -0.951 5.093 1.00 0.00 H new ATOM 0 HA VAL A 94 10.296 -0.839 8.019 1.00 0.00 H new ATOM 0 HB VAL A 94 10.307 -3.184 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.051 -3.970 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.959 -2.799 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.581 -2.290 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.517 -3.829 8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.065 -2.143 7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.761 -2.556 9.099 1.00 0.00 H new ATOM 1422 N SER A 95 12.215 0.695 7.714 1.00 0.00 N ATOM 1423 CA SER A 95 13.337 1.615 7.572 1.00 0.00 C ATOM 1424 C SER A 95 14.657 0.913 7.875 1.00 0.00 C ATOM 1425 O SER A 95 14.733 0.065 8.762 1.00 0.00 O ATOM 1426 CB SER A 95 13.160 2.817 8.502 1.00 0.00 C ATOM 1427 OG SER A 95 13.325 2.440 9.858 1.00 0.00 O ATOM 0 H SER A 95 11.703 0.787 8.591 1.00 0.00 H new ATOM 0 HA SER A 95 13.360 1.964 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.885 3.590 8.245 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.169 3.249 8.359 1.00 0.00 H new ATOM 0 HG SER A 95 13.209 3.226 10.432 1.00 0.00 H new ATOM 1433 N GLY A 96 15.697 1.274 7.129 1.00 0.00 N ATOM 1434 CA GLY A 96 17.001 0.670 7.332 1.00 0.00 C ATOM 1435 C GLY A 96 18.014 1.651 7.889 1.00 0.00 C ATOM 1436 O GLY A 96 18.315 2.678 7.281 1.00 0.00 O ATOM 0 H GLY A 96 15.660 1.974 6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.905 -0.175 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.366 0.274 6.384 1.00 0.00 H new ATOM 1440 N PRO A 97 18.558 1.337 9.075 1.00 0.00 N ATOM 1441 CA PRO A 97 19.550 2.186 9.740 1.00 0.00 C ATOM 1442 C PRO A 97 20.891 2.187 9.016 1.00 0.00 C ATOM 1443 O PRO A 97 21.685 3.117 9.161 1.00 0.00 O ATOM 1444 CB PRO A 97 19.691 1.548 11.125 1.00 0.00 C ATOM 1445 CG PRO A 97 19.301 0.123 10.927 1.00 0.00 C ATOM 1446 CD PRO A 97 18.245 0.128 9.856 1.00 0.00 C ATOM 0 HA PRO A 97 19.240 3.231 9.766 1.00 0.00 H new ATOM 0 HB2 PRO A 97 20.712 1.631 11.497 1.00 0.00 H new ATOM 0 HB3 PRO A 97 19.045 2.038 11.854 1.00 0.00 H new ATOM 0 HG2 PRO A 97 20.159 -0.478 10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 97 18.917 -0.309 11.851 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.292 -0.771 9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 97 17.242 0.172 10.281 1.00 0.00 H new ATOM 1454 N SER A 98 21.138 1.140 8.234 1.00 0.00 N ATOM 1455 CA SER A 98 22.385 1.020 7.489 1.00 0.00 C ATOM 1456 C SER A 98 22.643 2.271 6.655 1.00 0.00 C ATOM 1457 O SER A 98 21.717 2.858 6.095 1.00 0.00 O ATOM 1458 CB SER A 98 22.345 -0.212 6.583 1.00 0.00 C ATOM 1459 OG SER A 98 22.150 -1.395 7.338 1.00 0.00 O ATOM 0 H SER A 98 20.491 0.363 8.101 1.00 0.00 H new ATOM 0 HA SER A 98 23.199 0.909 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.541 -0.105 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.276 -0.285 6.022 1.00 0.00 H new ATOM 0 HG SER A 98 22.126 -2.167 6.735 1.00 0.00 H new ATOM 1465 N SER A 99 23.907 2.673 6.578 1.00 0.00 N ATOM 1466 CA SER A 99 24.288 3.856 5.815 1.00 0.00 C ATOM 1467 C SER A 99 23.935 3.689 4.341 1.00 0.00 C ATOM 1468 O SER A 99 24.242 2.667 3.729 1.00 0.00 O ATOM 1469 CB SER A 99 25.787 4.125 5.965 1.00 0.00 C ATOM 1470 OG SER A 99 26.057 4.866 7.143 1.00 0.00 O ATOM 0 H SER A 99 24.685 2.197 7.035 1.00 0.00 H new ATOM 0 HA SER A 99 23.732 4.707 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 99 26.328 3.179 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 99 26.150 4.673 5.096 1.00 0.00 H new ATOM 0 HG SER A 99 27.021 5.023 7.217 1.00 0.00 H new ATOM 1476 N GLY A 100 23.286 4.704 3.775 1.00 0.00 N ATOM 1477 CA GLY A 100 22.901 4.651 2.377 1.00 0.00 C ATOM 1478 C GLY A 100 21.739 5.571 2.061 1.00 0.00 C ATOM 1479 O GLY A 100 21.930 6.657 1.513 1.00 0.00 O ATOM 0 H GLY A 100 23.021 5.561 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 100 23.755 4.924 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 100 22.632 3.628 2.116 1.00 0.00 H new TER 1483 GLY A 100