USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 7 GLN : amide:sc= -2.53! C(o=-2.5!,f=-2.8!) USER MOD Set 2.1: A 3 MET CE :methyl 154:sc= -0.828 (180deg=-1.71) USER MOD Set 2.2: A 6 GLN : amide:sc= -6.1! C(o=-6.9!,f=-9.2!) USER MOD Single : A 1 ALA N :NH3+ 131:sc= 0.0412 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.177 USER MOD Single : A 15 SER OG : rot 180:sc= 0.106 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.495 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -152:sc= -0.29 (180deg=-1.96!) USER MOD Single : A 51 GLN : amide:sc=-0.00059 X(o=-0.00059,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -25:sc= 0.219 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 81 MET CE :methyl 149:sc= -2.48! (180deg=-5.45!) USER MOD Single : A 82 MET CE :methyl -171:sc= 0 (180deg=-0.0146) USER MOD Single : A 85 GLN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 86 MET CE :methyl -173:sc= -0.0139 (180deg=-0.0583) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.319 -5.767 -9.303 1.00 0.00 N ATOM 2 CA ALA A 1 -12.192 -6.279 -8.209 1.00 0.00 C ATOM 3 C ALA A 1 -12.582 -5.121 -7.287 1.00 0.00 C ATOM 4 O ALA A 1 -11.818 -4.200 -7.075 1.00 0.00 O ATOM 5 CB ALA A 1 -11.433 -7.337 -7.407 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.477 -6.371 -9.386 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.844 -5.779 -10.201 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.026 -4.793 -9.086 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.091 -6.723 -8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.070 -7.713 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.153 -8.160 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.535 -6.893 -6.978 1.00 0.00 H new ATOM 13 N SER A 2 -13.764 -5.160 -6.736 1.00 0.00 N ATOM 14 CA SER A 2 -14.200 -4.061 -5.830 1.00 0.00 C ATOM 15 C SER A 2 -13.193 -3.911 -4.686 1.00 0.00 C ATOM 16 O SER A 2 -12.216 -3.197 -4.798 1.00 0.00 O ATOM 17 CB SER A 2 -15.579 -4.389 -5.258 1.00 0.00 C ATOM 18 OG SER A 2 -15.639 -5.774 -4.944 1.00 0.00 O ATOM 0 H SER A 2 -14.446 -5.905 -6.874 1.00 0.00 H new ATOM 0 HA SER A 2 -14.253 -3.128 -6.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.766 -3.793 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.355 -4.134 -5.980 1.00 0.00 H new ATOM 0 HG SER A 2 -16.521 -5.988 -4.575 1.00 0.00 H new ATOM 24 N MET A 3 -13.422 -4.578 -3.588 1.00 0.00 N ATOM 25 CA MET A 3 -12.475 -4.472 -2.442 1.00 0.00 C ATOM 26 C MET A 3 -12.241 -5.862 -1.847 1.00 0.00 C ATOM 27 O MET A 3 -11.141 -6.205 -1.462 1.00 0.00 O ATOM 28 CB MET A 3 -13.067 -3.552 -1.370 1.00 0.00 C ATOM 29 CG MET A 3 -12.675 -2.104 -1.666 1.00 0.00 C ATOM 30 SD MET A 3 -10.964 -1.823 -1.148 1.00 0.00 S ATOM 31 CE MET A 3 -10.250 -1.666 -2.804 1.00 0.00 C ATOM 0 H MET A 3 -14.223 -5.191 -3.435 1.00 0.00 H new ATOM 0 HA MET A 3 -11.528 -4.059 -2.790 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.152 -3.649 -1.351 1.00 0.00 H new ATOM 0 HB3 MET A 3 -12.704 -3.844 -0.385 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.782 -1.898 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.342 -1.421 -1.140 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.348 -1.056 -2.755 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.999 -2.655 -3.187 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.973 -1.192 -3.468 1.00 0.00 H new ATOM 41 N THR A 4 -13.268 -6.662 -1.770 1.00 0.00 N ATOM 42 CA THR A 4 -13.107 -8.029 -1.201 1.00 0.00 C ATOM 43 C THR A 4 -12.461 -8.941 -2.244 1.00 0.00 C ATOM 44 O THR A 4 -11.579 -9.720 -1.942 1.00 0.00 O ATOM 45 CB THR A 4 -14.480 -8.586 -0.817 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.310 -9.743 -0.009 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.254 -8.955 -2.084 1.00 0.00 C ATOM 0 H THR A 4 -14.212 -6.428 -2.077 1.00 0.00 H new ATOM 0 HA THR A 4 -12.473 -7.983 -0.316 1.00 0.00 H new ATOM 0 HB THR A 4 -15.037 -7.832 -0.260 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.188 -10.100 0.239 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.232 -9.352 -1.811 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.383 -8.067 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.700 -9.709 -2.642 1.00 0.00 H new ATOM 55 N ASP A 5 -12.894 -8.851 -3.471 1.00 0.00 N ATOM 56 CA ASP A 5 -12.306 -9.710 -4.535 1.00 0.00 C ATOM 57 C ASP A 5 -10.915 -9.186 -4.892 1.00 0.00 C ATOM 58 O ASP A 5 -10.111 -9.879 -5.484 1.00 0.00 O ATOM 59 CB ASP A 5 -13.199 -9.673 -5.776 1.00 0.00 C ATOM 60 CG ASP A 5 -14.376 -10.632 -5.587 1.00 0.00 C ATOM 61 OD1 ASP A 5 -15.064 -10.505 -4.588 1.00 0.00 O ATOM 62 OD2 ASP A 5 -14.569 -11.478 -6.445 1.00 0.00 O ATOM 0 H ASP A 5 -13.631 -8.218 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.231 -10.736 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.565 -8.660 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.625 -9.955 -6.659 1.00 0.00 H new ATOM 67 N GLN A 6 -10.625 -7.966 -4.535 1.00 0.00 N ATOM 68 CA GLN A 6 -9.287 -7.394 -4.850 1.00 0.00 C ATOM 69 C GLN A 6 -8.322 -7.697 -3.701 1.00 0.00 C ATOM 70 O GLN A 6 -7.143 -7.901 -3.906 1.00 0.00 O ATOM 71 CB GLN A 6 -9.409 -5.880 -5.028 1.00 0.00 C ATOM 72 CG GLN A 6 -8.041 -5.297 -5.391 1.00 0.00 C ATOM 73 CD GLN A 6 -7.757 -4.076 -4.516 1.00 0.00 C ATOM 74 OE1 GLN A 6 -7.251 -4.204 -3.418 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.065 -2.888 -4.957 1.00 0.00 N ATOM 0 H GLN A 6 -11.258 -7.340 -4.038 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.908 -7.838 -5.771 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.133 -5.652 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.779 -5.424 -4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.264 -6.048 -5.248 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.022 -5.015 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.490 -2.780 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.881 -2.067 -4.381 1.00 0.00 H new ATOM 84 N GLN A 7 -8.817 -7.729 -2.493 1.00 0.00 N ATOM 85 CA GLN A 7 -7.930 -8.020 -1.332 1.00 0.00 C ATOM 86 C GLN A 7 -7.690 -9.529 -1.238 1.00 0.00 C ATOM 87 O GLN A 7 -6.642 -9.975 -0.817 1.00 0.00 O ATOM 88 CB GLN A 7 -8.597 -7.529 -0.046 1.00 0.00 C ATOM 89 CG GLN A 7 -9.846 -8.367 0.233 1.00 0.00 C ATOM 90 CD GLN A 7 -10.582 -7.797 1.447 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.085 -6.908 2.112 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.753 -8.273 1.768 1.00 0.00 N ATOM 0 H GLN A 7 -9.797 -7.566 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.977 -7.508 -1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.901 -7.605 0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.866 -6.477 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.502 -8.363 -0.638 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.567 -9.404 0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.171 -9.018 1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.251 -7.900 2.576 1.00 0.00 H new ATOM 101 N ALA A 8 -8.656 -10.318 -1.625 1.00 0.00 N ATOM 102 CA ALA A 8 -8.486 -11.797 -1.555 1.00 0.00 C ATOM 103 C ALA A 8 -7.374 -12.230 -2.514 1.00 0.00 C ATOM 104 O ALA A 8 -6.457 -12.935 -2.139 1.00 0.00 O ATOM 105 CB ALA A 8 -9.796 -12.477 -1.956 1.00 0.00 C ATOM 0 H ALA A 8 -9.556 -10.002 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.220 -12.085 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.675 -13.559 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.589 -12.169 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.059 -12.188 -2.974 1.00 0.00 H new ATOM 111 N GLU A 9 -7.450 -11.816 -3.748 1.00 0.00 N ATOM 112 CA GLU A 9 -6.400 -12.206 -4.732 1.00 0.00 C ATOM 113 C GLU A 9 -5.014 -12.010 -4.112 1.00 0.00 C ATOM 114 O GLU A 9 -4.132 -12.831 -4.271 1.00 0.00 O ATOM 115 CB GLU A 9 -6.525 -11.333 -5.982 1.00 0.00 C ATOM 116 CG GLU A 9 -6.867 -12.212 -7.186 1.00 0.00 C ATOM 117 CD GLU A 9 -7.147 -11.328 -8.402 1.00 0.00 C ATOM 118 OE1 GLU A 9 -7.581 -10.205 -8.205 1.00 0.00 O ATOM 119 OE2 GLU A 9 -6.921 -11.788 -9.509 1.00 0.00 O ATOM 0 H GLU A 9 -8.194 -11.224 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.530 -13.254 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.299 -10.580 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.591 -10.800 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.042 -12.891 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.738 -12.829 -6.963 1.00 0.00 H new ATOM 126 N ALA A 10 -4.814 -10.929 -3.410 1.00 0.00 N ATOM 127 CA ALA A 10 -3.482 -10.682 -2.786 1.00 0.00 C ATOM 128 C ALA A 10 -3.299 -11.605 -1.577 1.00 0.00 C ATOM 129 O ALA A 10 -2.209 -12.058 -1.292 1.00 0.00 O ATOM 130 CB ALA A 10 -3.397 -9.225 -2.331 1.00 0.00 C ATOM 0 H ALA A 10 -5.514 -10.206 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.698 -10.884 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.424 -9.043 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.524 -8.567 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.183 -9.025 -1.603 1.00 0.00 H new ATOM 136 N ARG A 11 -4.355 -11.885 -0.862 1.00 0.00 N ATOM 137 CA ARG A 11 -4.236 -12.775 0.328 1.00 0.00 C ATOM 138 C ARG A 11 -3.831 -14.180 -0.121 1.00 0.00 C ATOM 139 O ARG A 11 -3.427 -15.004 0.676 1.00 0.00 O ATOM 140 CB ARG A 11 -5.581 -12.842 1.054 1.00 0.00 C ATOM 141 CG ARG A 11 -5.392 -13.509 2.417 1.00 0.00 C ATOM 142 CD ARG A 11 -5.752 -12.516 3.523 1.00 0.00 C ATOM 143 NE ARG A 11 -7.147 -12.768 3.979 1.00 0.00 N ATOM 144 CZ ARG A 11 -7.874 -11.784 4.433 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.002 -10.689 3.733 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.472 -11.893 5.587 1.00 0.00 N ATOM 0 H ARG A 11 -5.295 -11.536 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.478 -12.376 1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.988 -11.839 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.300 -13.404 0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.021 -14.396 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.360 -13.840 2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.060 -12.619 4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.657 -11.494 3.155 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.535 -13.711 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.534 -10.603 2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.570 -9.920 4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.371 -12.748 6.135 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.040 -11.124 5.942 1.00 0.00 H new ATOM 160 N ALA A 12 -3.938 -14.462 -1.390 1.00 0.00 N ATOM 161 CA ALA A 12 -3.560 -15.816 -1.884 1.00 0.00 C ATOM 162 C ALA A 12 -2.213 -16.221 -1.284 1.00 0.00 C ATOM 163 O ALA A 12 -2.126 -17.136 -0.490 1.00 0.00 O ATOM 164 CB ALA A 12 -3.451 -15.790 -3.411 1.00 0.00 C ATOM 0 H ALA A 12 -4.270 -13.815 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.322 -16.537 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.174 -16.780 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.411 -15.502 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.690 -15.069 -3.709 1.00 0.00 H new ATOM 170 N PHE A 13 -1.159 -15.550 -1.660 1.00 0.00 N ATOM 171 CA PHE A 13 0.183 -15.900 -1.114 1.00 0.00 C ATOM 172 C PHE A 13 0.443 -15.091 0.160 1.00 0.00 C ATOM 173 O PHE A 13 1.313 -15.413 0.945 1.00 0.00 O ATOM 174 CB PHE A 13 1.267 -15.576 -2.149 1.00 0.00 C ATOM 175 CG PHE A 13 0.681 -15.627 -3.540 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.476 -16.861 -4.171 1.00 0.00 C ATOM 177 CD2 PHE A 13 0.342 -14.440 -4.199 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.069 -16.905 -5.460 1.00 0.00 C ATOM 179 CE2 PHE A 13 -0.202 -14.484 -5.487 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.408 -15.717 -6.118 1.00 0.00 C ATOM 0 H PHE A 13 -1.169 -14.774 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 13 0.209 -16.965 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.682 -14.587 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.088 -16.288 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.738 -17.778 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.501 -13.489 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.228 -17.856 -5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.463 -13.567 -5.995 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.828 -15.751 -7.112 1.00 0.00 H new ATOM 190 N LEU A 14 -0.304 -14.042 0.371 1.00 0.00 N ATOM 191 CA LEU A 14 -0.098 -13.212 1.591 1.00 0.00 C ATOM 192 C LEU A 14 -0.698 -13.924 2.804 1.00 0.00 C ATOM 193 O LEU A 14 -1.788 -13.614 3.242 1.00 0.00 O ATOM 194 CB LEU A 14 -0.780 -11.855 1.406 1.00 0.00 C ATOM 195 CG LEU A 14 0.219 -10.856 0.820 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.278 -10.514 1.870 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.899 -11.475 -0.405 1.00 0.00 C ATOM 0 H LEU A 14 -1.049 -13.724 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 14 0.970 -13.064 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.640 -11.956 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.155 -11.491 2.363 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.307 -9.948 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.989 -9.802 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.796 -10.074 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.804 -11.422 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.611 -10.764 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.424 -12.383 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.146 -11.719 -1.155 1.00 0.00 H new ATOM 209 N SER A 15 0.004 -14.878 3.353 1.00 0.00 N ATOM 210 CA SER A 15 -0.528 -15.607 4.538 1.00 0.00 C ATOM 211 C SER A 15 -0.919 -14.598 5.620 1.00 0.00 C ATOM 212 O SER A 15 -0.603 -13.428 5.534 1.00 0.00 O ATOM 213 CB SER A 15 0.545 -16.548 5.085 1.00 0.00 C ATOM 214 OG SER A 15 1.823 -16.118 4.635 1.00 0.00 O ATOM 0 H SER A 15 0.923 -15.183 3.032 1.00 0.00 H new ATOM 0 HA SER A 15 -1.403 -16.187 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.515 -16.558 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.354 -17.568 4.752 1.00 0.00 H new ATOM 0 HG SER A 15 2.513 -16.719 4.986 1.00 0.00 H new ATOM 220 N GLU A 16 -1.604 -15.041 6.638 1.00 0.00 N ATOM 221 CA GLU A 16 -2.013 -14.105 7.723 1.00 0.00 C ATOM 222 C GLU A 16 -0.787 -13.728 8.557 1.00 0.00 C ATOM 223 O GLU A 16 -0.776 -12.730 9.249 1.00 0.00 O ATOM 224 CB GLU A 16 -3.052 -14.783 8.618 1.00 0.00 C ATOM 225 CG GLU A 16 -4.172 -13.792 8.939 1.00 0.00 C ATOM 226 CD GLU A 16 -4.356 -13.700 10.455 1.00 0.00 C ATOM 227 OE1 GLU A 16 -3.376 -13.863 11.162 1.00 0.00 O ATOM 228 OE2 GLU A 16 -5.475 -13.469 10.883 1.00 0.00 O ATOM 0 H GLU A 16 -1.898 -16.009 6.765 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.445 -13.206 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.461 -15.661 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.584 -15.130 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.931 -12.810 8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.101 -14.113 8.468 1.00 0.00 H new ATOM 235 N GLU A 17 0.248 -14.521 8.495 1.00 0.00 N ATOM 236 CA GLU A 17 1.475 -14.211 9.282 1.00 0.00 C ATOM 237 C GLU A 17 2.270 -13.116 8.571 1.00 0.00 C ATOM 238 O GLU A 17 2.983 -12.351 9.189 1.00 0.00 O ATOM 239 CB GLU A 17 2.335 -15.470 9.400 1.00 0.00 C ATOM 240 CG GLU A 17 3.279 -15.334 10.597 1.00 0.00 C ATOM 241 CD GLU A 17 2.592 -15.878 11.851 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.614 -15.282 12.271 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.055 -16.881 12.368 1.00 0.00 O ATOM 0 H GLU A 17 0.297 -15.371 7.933 1.00 0.00 H new ATOM 0 HA GLU A 17 1.193 -13.869 10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.699 -16.347 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.909 -15.618 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.203 -15.881 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.551 -14.289 10.743 1.00 0.00 H new ATOM 250 N MET A 18 2.153 -13.033 7.274 1.00 0.00 N ATOM 251 CA MET A 18 2.903 -11.986 6.525 1.00 0.00 C ATOM 252 C MET A 18 2.297 -10.615 6.830 1.00 0.00 C ATOM 253 O MET A 18 2.964 -9.727 7.322 1.00 0.00 O ATOM 254 CB MET A 18 2.809 -12.265 5.024 1.00 0.00 C ATOM 255 CG MET A 18 4.113 -12.902 4.540 1.00 0.00 C ATOM 256 SD MET A 18 4.202 -12.796 2.734 1.00 0.00 S ATOM 257 CE MET A 18 5.928 -13.312 2.561 1.00 0.00 C ATOM 0 H MET A 18 1.571 -13.644 6.701 1.00 0.00 H new ATOM 0 HA MET A 18 3.950 -11.998 6.829 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.969 -12.929 4.819 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.622 -11.338 4.482 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.967 -12.393 4.987 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.161 -13.944 4.857 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.202 -13.318 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.572 -12.616 3.099 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.052 -14.313 2.974 1.00 0.00 H new ATOM 267 N ILE A 19 1.036 -10.436 6.543 1.00 0.00 N ATOM 268 CA ILE A 19 0.389 -9.122 6.819 1.00 0.00 C ATOM 269 C ILE A 19 0.573 -8.766 8.293 1.00 0.00 C ATOM 270 O ILE A 19 0.971 -7.670 8.633 1.00 0.00 O ATOM 271 CB ILE A 19 -1.103 -9.212 6.498 1.00 0.00 C ATOM 272 CG1 ILE A 19 -1.284 -9.676 5.050 1.00 0.00 C ATOM 273 CG2 ILE A 19 -1.748 -7.838 6.678 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.977 -11.040 5.035 1.00 0.00 C ATOM 0 H ILE A 19 0.427 -11.142 6.130 1.00 0.00 H new ATOM 0 HA ILE A 19 0.848 -8.352 6.199 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.578 -9.926 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.877 -8.949 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.316 -9.743 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.812 -7.903 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.618 -7.507 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.275 -7.123 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.106 -11.371 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.367 -11.764 5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.952 -10.958 5.515 1.00 0.00 H new ATOM 286 N ALA A 20 0.288 -9.684 9.172 1.00 0.00 N ATOM 287 CA ALA A 20 0.449 -9.399 10.625 1.00 0.00 C ATOM 288 C ALA A 20 1.852 -8.847 10.882 1.00 0.00 C ATOM 289 O ALA A 20 2.047 -7.990 11.723 1.00 0.00 O ATOM 290 CB ALA A 20 0.256 -10.692 11.417 1.00 0.00 C ATOM 0 H ALA A 20 -0.050 -10.620 8.948 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.293 -8.665 10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.373 -10.488 12.481 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.743 -11.087 11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.000 -11.425 11.104 1.00 0.00 H new ATOM 296 N GLU A 21 2.831 -9.327 10.165 1.00 0.00 N ATOM 297 CA GLU A 21 4.219 -8.827 10.370 1.00 0.00 C ATOM 298 C GLU A 21 4.277 -7.335 10.035 1.00 0.00 C ATOM 299 O GLU A 21 4.656 -6.521 10.854 1.00 0.00 O ATOM 300 CB GLU A 21 5.177 -9.593 9.452 1.00 0.00 C ATOM 301 CG GLU A 21 6.584 -9.574 10.050 1.00 0.00 C ATOM 302 CD GLU A 21 7.408 -10.716 9.453 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.254 -11.835 9.912 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.182 -10.450 8.548 1.00 0.00 O ATOM 0 H GLU A 21 2.729 -10.044 9.446 1.00 0.00 H new ATOM 0 HA GLU A 21 4.511 -8.979 11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.836 -10.621 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.186 -9.141 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.065 -8.618 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.531 -9.677 11.134 1.00 0.00 H new ATOM 311 N PHE A 22 3.904 -6.971 8.840 1.00 0.00 N ATOM 312 CA PHE A 22 3.935 -5.532 8.454 1.00 0.00 C ATOM 313 C PHE A 22 3.022 -4.734 9.389 1.00 0.00 C ATOM 314 O PHE A 22 3.150 -3.535 9.523 1.00 0.00 O ATOM 315 CB PHE A 22 3.447 -5.379 7.012 1.00 0.00 C ATOM 316 CG PHE A 22 4.463 -5.976 6.065 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.823 -5.687 6.224 1.00 0.00 C ATOM 318 CD2 PHE A 22 4.043 -6.818 5.028 1.00 0.00 C ATOM 319 CE1 PHE A 22 6.764 -6.239 5.346 1.00 0.00 C ATOM 320 CE2 PHE A 22 4.984 -7.370 4.149 1.00 0.00 C ATOM 321 CZ PHE A 22 6.344 -7.080 4.309 1.00 0.00 C ATOM 0 H PHE A 22 3.579 -7.608 8.113 1.00 0.00 H new ATOM 0 HA PHE A 22 4.955 -5.157 8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.485 -5.876 6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.294 -4.325 6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.147 -5.038 7.024 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.994 -7.042 4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.814 -6.016 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.660 -8.019 3.349 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.070 -7.505 3.632 1.00 0.00 H new ATOM 331 N LYS A 23 2.099 -5.394 10.034 1.00 0.00 N ATOM 332 CA LYS A 23 1.173 -4.680 10.959 1.00 0.00 C ATOM 333 C LYS A 23 1.959 -3.675 11.806 1.00 0.00 C ATOM 334 O LYS A 23 1.456 -2.632 12.172 1.00 0.00 O ATOM 335 CB LYS A 23 0.494 -5.698 11.877 1.00 0.00 C ATOM 336 CG LYS A 23 -0.739 -5.064 12.524 1.00 0.00 C ATOM 337 CD LYS A 23 -1.882 -5.022 11.508 1.00 0.00 C ATOM 338 CE LYS A 23 -3.135 -5.651 12.121 1.00 0.00 C ATOM 339 NZ LYS A 23 -4.226 -4.636 12.169 1.00 0.00 N ATOM 0 H LYS A 23 1.946 -6.400 9.960 1.00 0.00 H new ATOM 0 HA LYS A 23 0.420 -4.148 10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.205 -6.581 11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.191 -6.030 12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.038 -5.638 13.401 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.505 -4.056 12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.085 -3.992 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.598 -5.559 10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.450 -6.511 11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.918 -6.016 13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.078 -5.062 12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.923 -3.828 12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.438 -4.309 11.205 1.00 0.00 H new ATOM 353 N ALA A 24 3.186 -3.982 12.125 1.00 0.00 N ATOM 354 CA ALA A 24 3.997 -3.044 12.954 1.00 0.00 C ATOM 355 C ALA A 24 4.516 -1.896 12.085 1.00 0.00 C ATOM 356 O ALA A 24 4.463 -0.744 12.465 1.00 0.00 O ATOM 357 CB ALA A 24 5.181 -3.799 13.562 1.00 0.00 C ATOM 0 H ALA A 24 3.662 -4.840 11.848 1.00 0.00 H new ATOM 0 HA ALA A 24 3.373 -2.636 13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.776 -3.116 14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.812 -4.612 14.187 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.800 -4.208 12.764 1.00 0.00 H new ATOM 363 N ALA A 25 5.027 -2.201 10.923 1.00 0.00 N ATOM 364 CA ALA A 25 5.556 -1.126 10.034 1.00 0.00 C ATOM 365 C ALA A 25 4.396 -0.321 9.442 1.00 0.00 C ATOM 366 O ALA A 25 4.597 0.679 8.781 1.00 0.00 O ATOM 367 CB ALA A 25 6.365 -1.759 8.901 1.00 0.00 C ATOM 0 H ALA A 25 5.101 -3.148 10.551 1.00 0.00 H new ATOM 0 HA ALA A 25 6.194 -0.460 10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.753 -0.976 8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.196 -2.327 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.724 -2.426 8.325 1.00 0.00 H new ATOM 373 N PHE A 26 3.185 -0.747 9.669 1.00 0.00 N ATOM 374 CA PHE A 26 2.018 -0.004 9.114 1.00 0.00 C ATOM 375 C PHE A 26 1.547 1.048 10.122 1.00 0.00 C ATOM 376 O PHE A 26 1.264 2.176 9.770 1.00 0.00 O ATOM 377 CB PHE A 26 0.880 -0.986 8.834 1.00 0.00 C ATOM 378 CG PHE A 26 -0.301 -0.239 8.263 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.196 0.383 7.014 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.500 -0.171 8.981 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.291 1.074 6.483 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.595 0.521 8.451 1.00 0.00 C ATOM 383 CZ PHE A 26 -2.490 1.143 7.201 1.00 0.00 C ATOM 0 H PHE A 26 2.952 -1.577 10.214 1.00 0.00 H new ATOM 0 HA PHE A 26 2.312 0.491 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.211 -1.753 8.134 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.591 -1.496 9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.730 0.330 6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.581 -0.653 9.944 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.211 1.554 5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.520 0.575 9.006 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.335 1.676 6.791 1.00 0.00 H new ATOM 393 N ASP A 27 1.456 0.686 11.372 1.00 0.00 N ATOM 394 CA ASP A 27 0.997 1.662 12.401 1.00 0.00 C ATOM 395 C ASP A 27 1.910 2.891 12.397 1.00 0.00 C ATOM 396 O ASP A 27 1.466 4.004 12.596 1.00 0.00 O ATOM 397 CB ASP A 27 1.038 1.001 13.781 1.00 0.00 C ATOM 398 CG ASP A 27 0.168 -0.257 13.772 1.00 0.00 C ATOM 399 OD1 ASP A 27 -0.398 -0.555 12.733 1.00 0.00 O ATOM 400 OD2 ASP A 27 0.081 -0.901 14.804 1.00 0.00 O ATOM 0 H ASP A 27 1.680 -0.244 11.726 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.022 1.973 12.173 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.065 0.744 14.042 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.681 1.697 14.540 1.00 0.00 H new ATOM 405 N MET A 28 3.180 2.700 12.177 1.00 0.00 N ATOM 406 CA MET A 28 4.118 3.858 12.166 1.00 0.00 C ATOM 407 C MET A 28 3.626 4.912 11.171 1.00 0.00 C ATOM 408 O MET A 28 3.812 6.096 11.366 1.00 0.00 O ATOM 409 CB MET A 28 5.513 3.382 11.754 1.00 0.00 C ATOM 410 CG MET A 28 6.495 4.552 11.822 1.00 0.00 C ATOM 411 SD MET A 28 6.623 5.326 10.189 1.00 0.00 S ATOM 412 CE MET A 28 8.371 4.960 9.899 1.00 0.00 C ATOM 0 H MET A 28 3.610 1.792 12.004 1.00 0.00 H new ATOM 0 HA MET A 28 4.161 4.295 13.164 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.843 2.578 12.412 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.486 2.975 10.743 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.157 5.282 12.557 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.474 4.201 12.148 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.669 5.355 8.928 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.974 5.423 10.680 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.524 3.881 9.914 1.00 0.00 H new ATOM 422 N PHE A 29 3.003 4.491 10.104 1.00 0.00 N ATOM 423 CA PHE A 29 2.506 5.473 9.098 1.00 0.00 C ATOM 424 C PHE A 29 1.244 6.158 9.627 1.00 0.00 C ATOM 425 O PHE A 29 1.206 7.360 9.800 1.00 0.00 O ATOM 426 CB PHE A 29 2.184 4.744 7.793 1.00 0.00 C ATOM 427 CG PHE A 29 3.462 4.510 7.023 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.427 3.628 7.523 1.00 0.00 C ATOM 429 CD2 PHE A 29 3.684 5.177 5.811 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.614 3.412 6.812 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.870 4.961 5.100 1.00 0.00 C ATOM 432 CZ PHE A 29 5.836 4.079 5.601 1.00 0.00 C ATOM 0 H PHE A 29 2.817 3.512 9.886 1.00 0.00 H new ATOM 0 HA PHE A 29 3.274 6.225 8.915 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.695 3.793 8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.489 5.334 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.256 3.114 8.457 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.940 5.858 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.358 2.731 7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.040 5.474 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.752 3.913 5.053 1.00 0.00 H new ATOM 442 N ASP A 30 0.210 5.403 9.884 1.00 0.00 N ATOM 443 CA ASP A 30 -1.048 6.014 10.398 1.00 0.00 C ATOM 444 C ASP A 30 -0.772 6.702 11.737 1.00 0.00 C ATOM 445 O ASP A 30 -0.751 6.074 12.777 1.00 0.00 O ATOM 446 CB ASP A 30 -2.101 4.921 10.595 1.00 0.00 C ATOM 447 CG ASP A 30 -1.440 3.678 11.196 1.00 0.00 C ATOM 448 OD1 ASP A 30 -1.294 3.635 12.407 1.00 0.00 O ATOM 449 OD2 ASP A 30 -1.090 2.791 10.435 1.00 0.00 O ATOM 0 H ASP A 30 0.183 4.391 9.760 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.414 6.749 9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.893 5.279 11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.566 4.673 9.641 1.00 0.00 H new ATOM 454 N ALA A 31 -0.562 7.990 11.720 1.00 0.00 N ATOM 455 CA ALA A 31 -0.290 8.718 12.993 1.00 0.00 C ATOM 456 C ALA A 31 -1.426 9.705 13.267 1.00 0.00 C ATOM 457 O ALA A 31 -1.676 10.082 14.394 1.00 0.00 O ATOM 458 CB ALA A 31 1.031 9.480 12.874 1.00 0.00 C ATOM 0 H ALA A 31 -0.567 8.570 10.881 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.223 8.003 13.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.229 10.012 13.805 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.840 8.777 12.678 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.966 10.195 12.054 1.00 0.00 H new ATOM 464 N ASP A 32 -2.117 10.129 12.243 1.00 0.00 N ATOM 465 CA ASP A 32 -3.235 11.091 12.446 1.00 0.00 C ATOM 466 C ASP A 32 -4.536 10.477 11.924 1.00 0.00 C ATOM 467 O ASP A 32 -5.614 10.976 12.177 1.00 0.00 O ATOM 468 CB ASP A 32 -2.941 12.386 11.688 1.00 0.00 C ATOM 469 CG ASP A 32 -3.391 13.583 12.528 1.00 0.00 C ATOM 470 OD1 ASP A 32 -3.821 13.366 13.650 1.00 0.00 O ATOM 471 OD2 ASP A 32 -3.299 14.696 12.037 1.00 0.00 O ATOM 0 H ASP A 32 -1.955 9.850 11.275 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.337 11.310 13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.875 12.460 11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.461 12.385 10.730 1.00 0.00 H new ATOM 476 N GLY A 33 -4.442 9.398 11.197 1.00 0.00 N ATOM 477 CA GLY A 33 -5.673 8.753 10.661 1.00 0.00 C ATOM 478 C GLY A 33 -5.953 7.465 11.438 1.00 0.00 C ATOM 479 O GLY A 33 -6.941 7.352 12.135 1.00 0.00 O ATOM 0 H GLY A 33 -3.567 8.936 10.951 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.520 9.434 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.548 8.531 9.601 1.00 0.00 H new ATOM 483 N GLY A 34 -5.088 6.495 11.326 1.00 0.00 N ATOM 484 CA GLY A 34 -5.304 5.216 12.060 1.00 0.00 C ATOM 485 C GLY A 34 -5.904 4.175 11.114 1.00 0.00 C ATOM 486 O GLY A 34 -6.963 3.635 11.361 1.00 0.00 O ATOM 0 H GLY A 34 -4.241 6.532 10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.359 4.853 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.971 5.379 12.907 1.00 0.00 H new ATOM 490 N GLY A 35 -5.232 3.887 10.031 1.00 0.00 N ATOM 491 CA GLY A 35 -5.765 2.877 9.073 1.00 0.00 C ATOM 492 C GLY A 35 -5.785 3.462 7.658 1.00 0.00 C ATOM 493 O GLY A 35 -6.618 3.115 6.845 1.00 0.00 O ATOM 0 H GLY A 35 -4.340 4.306 9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.147 1.979 9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.771 2.579 9.367 1.00 0.00 H new ATOM 497 N ASP A 36 -4.875 4.348 7.357 1.00 0.00 N ATOM 498 CA ASP A 36 -4.843 4.951 5.996 1.00 0.00 C ATOM 499 C ASP A 36 -3.696 5.962 5.918 1.00 0.00 C ATOM 500 O ASP A 36 -3.125 6.342 6.920 1.00 0.00 O ATOM 501 CB ASP A 36 -6.170 5.660 5.721 1.00 0.00 C ATOM 502 CG ASP A 36 -6.605 6.430 6.969 1.00 0.00 C ATOM 503 OD1 ASP A 36 -6.879 5.789 7.970 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.655 7.647 6.902 1.00 0.00 O ATOM 0 H ASP A 36 -4.152 4.680 7.996 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.691 4.169 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.062 6.343 4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.933 4.932 5.445 1.00 0.00 H new ATOM 509 N ILE A 37 -3.354 6.400 4.738 1.00 0.00 N ATOM 510 CA ILE A 37 -2.243 7.387 4.604 1.00 0.00 C ATOM 511 C ILE A 37 -2.293 8.031 3.216 1.00 0.00 C ATOM 512 O ILE A 37 -2.578 7.383 2.229 1.00 0.00 O ATOM 513 CB ILE A 37 -0.891 6.688 4.794 1.00 0.00 C ATOM 514 CG1 ILE A 37 -1.038 5.181 4.551 1.00 0.00 C ATOM 515 CG2 ILE A 37 -0.397 6.921 6.222 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.326 4.504 4.701 1.00 0.00 C ATOM 0 H ILE A 37 -3.794 6.119 3.862 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.358 8.155 5.368 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.175 7.098 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.747 4.755 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.438 5.000 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.564 6.425 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.282 7.991 6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.120 6.513 6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.222 3.433 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.022 4.923 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.708 4.674 5.708 1.00 0.00 H new ATOM 528 N SER A 38 -2.016 9.305 3.134 1.00 0.00 N ATOM 529 CA SER A 38 -2.047 9.993 1.813 1.00 0.00 C ATOM 530 C SER A 38 -0.625 10.087 1.255 1.00 0.00 C ATOM 531 O SER A 38 0.318 9.604 1.850 1.00 0.00 O ATOM 532 CB SER A 38 -2.623 11.400 1.982 1.00 0.00 C ATOM 533 OG SER A 38 -2.307 11.885 3.281 1.00 0.00 O ATOM 0 H SER A 38 -1.770 9.898 3.926 1.00 0.00 H new ATOM 0 HA SER A 38 -2.672 9.427 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.213 12.067 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.704 11.382 1.841 1.00 0.00 H new ATOM 0 HG SER A 38 -2.673 12.787 3.391 1.00 0.00 H new ATOM 539 N THR A 39 -0.464 10.703 0.116 1.00 0.00 N ATOM 540 CA THR A 39 0.897 10.824 -0.475 1.00 0.00 C ATOM 541 C THR A 39 1.794 11.620 0.474 1.00 0.00 C ATOM 542 O THR A 39 2.980 11.379 0.570 1.00 0.00 O ATOM 543 CB THR A 39 0.811 11.549 -1.820 1.00 0.00 C ATOM 544 OG1 THR A 39 0.305 12.862 -1.620 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.113 10.782 -2.762 1.00 0.00 C ATOM 0 H THR A 39 -1.215 11.127 -0.429 1.00 0.00 H new ATOM 0 HA THR A 39 1.315 9.829 -0.626 1.00 0.00 H new ATOM 0 HB THR A 39 1.806 11.607 -2.262 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.252 13.327 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.171 11.302 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.280 9.777 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.109 10.718 -2.323 1.00 0.00 H new ATOM 553 N LYS A 40 1.240 12.569 1.176 1.00 0.00 N ATOM 554 CA LYS A 40 2.067 13.380 2.113 1.00 0.00 C ATOM 555 C LYS A 40 2.464 12.529 3.321 1.00 0.00 C ATOM 556 O LYS A 40 3.450 12.792 3.980 1.00 0.00 O ATOM 557 CB LYS A 40 1.261 14.590 2.589 1.00 0.00 C ATOM 558 CG LYS A 40 2.042 15.325 3.679 1.00 0.00 C ATOM 559 CD LYS A 40 1.387 16.680 3.950 1.00 0.00 C ATOM 560 CE LYS A 40 -0.015 16.464 4.521 1.00 0.00 C ATOM 561 NZ LYS A 40 -0.154 17.221 5.797 1.00 0.00 N ATOM 0 H LYS A 40 0.251 12.818 1.142 1.00 0.00 H new ATOM 0 HA LYS A 40 2.966 13.718 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.064 15.261 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.294 14.268 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.061 14.729 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.077 15.465 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.992 17.255 4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.331 17.259 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.766 16.797 3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.189 15.402 4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.107 17.074 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.554 16.883 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.006 18.235 5.617 1.00 0.00 H new ATOM 575 N GLU A 41 1.702 11.513 3.622 1.00 0.00 N ATOM 576 CA GLU A 41 2.038 10.655 4.793 1.00 0.00 C ATOM 577 C GLU A 41 3.087 9.616 4.389 1.00 0.00 C ATOM 578 O GLU A 41 4.243 9.716 4.753 1.00 0.00 O ATOM 579 CB GLU A 41 0.776 9.940 5.280 1.00 0.00 C ATOM 580 CG GLU A 41 -0.341 10.964 5.494 1.00 0.00 C ATOM 581 CD GLU A 41 -0.037 11.806 6.735 1.00 0.00 C ATOM 582 OE1 GLU A 41 1.089 12.259 6.858 1.00 0.00 O ATOM 583 OE2 GLU A 41 -0.936 11.986 7.539 1.00 0.00 O ATOM 0 H GLU A 41 0.863 11.241 3.109 1.00 0.00 H new ATOM 0 HA GLU A 41 2.437 11.279 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.464 9.193 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.981 9.410 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.430 11.608 4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.297 10.454 5.614 1.00 0.00 H new ATOM 590 N LEU A 42 2.698 8.616 3.646 1.00 0.00 N ATOM 591 CA LEU A 42 3.679 7.574 3.231 1.00 0.00 C ATOM 592 C LEU A 42 4.720 8.187 2.287 1.00 0.00 C ATOM 593 O LEU A 42 5.761 7.610 2.040 1.00 0.00 O ATOM 594 CB LEU A 42 2.936 6.415 2.539 1.00 0.00 C ATOM 595 CG LEU A 42 2.848 6.651 1.025 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.177 5.449 0.360 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.021 7.909 0.746 1.00 0.00 C ATOM 0 H LEU A 42 1.745 8.476 3.309 1.00 0.00 H new ATOM 0 HA LEU A 42 4.195 7.186 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.454 5.476 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.933 6.320 2.956 1.00 0.00 H new ATOM 0 HG LEU A 42 3.853 6.780 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.114 5.616 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.764 4.551 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.174 5.321 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.961 8.074 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.017 7.781 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.496 8.769 1.218 1.00 0.00 H new ATOM 609 N GLY A 43 4.449 9.347 1.757 1.00 0.00 N ATOM 610 CA GLY A 43 5.426 9.987 0.832 1.00 0.00 C ATOM 611 C GLY A 43 6.485 10.734 1.640 1.00 0.00 C ATOM 612 O GLY A 43 7.657 10.702 1.323 1.00 0.00 O ATOM 0 H GLY A 43 3.595 9.879 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.899 9.230 0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.911 10.677 0.164 1.00 0.00 H new ATOM 616 N THR A 44 6.086 11.410 2.681 1.00 0.00 N ATOM 617 CA THR A 44 7.080 12.156 3.504 1.00 0.00 C ATOM 618 C THR A 44 7.605 11.244 4.612 1.00 0.00 C ATOM 619 O THR A 44 8.786 10.972 4.695 1.00 0.00 O ATOM 620 CB THR A 44 6.412 13.389 4.120 1.00 0.00 C ATOM 621 OG1 THR A 44 6.150 14.342 3.100 1.00 0.00 O ATOM 622 CG2 THR A 44 7.341 14.004 5.168 1.00 0.00 C ATOM 0 H THR A 44 5.119 11.479 2.997 1.00 0.00 H new ATOM 0 HA THR A 44 7.911 12.476 2.875 1.00 0.00 H new ATOM 0 HB THR A 44 5.475 13.097 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.721 15.131 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.865 14.881 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.542 13.272 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.279 14.298 4.696 1.00 0.00 H new ATOM 630 N VAL A 45 6.741 10.765 5.464 1.00 0.00 N ATOM 631 CA VAL A 45 7.201 9.866 6.559 1.00 0.00 C ATOM 632 C VAL A 45 8.133 8.803 5.974 1.00 0.00 C ATOM 633 O VAL A 45 9.054 8.345 6.620 1.00 0.00 O ATOM 634 CB VAL A 45 5.993 9.184 7.204 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.472 8.253 8.319 1.00 0.00 C ATOM 636 CG2 VAL A 45 5.059 10.245 7.790 1.00 0.00 C ATOM 0 H VAL A 45 5.739 10.957 5.449 1.00 0.00 H new ATOM 0 HA VAL A 45 7.731 10.448 7.313 1.00 0.00 H new ATOM 0 HB VAL A 45 5.456 8.606 6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.613 7.766 8.780 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.137 7.497 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.008 8.832 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.199 9.759 8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.593 10.824 8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.719 10.909 6.995 1.00 0.00 H new ATOM 646 N MET A 46 7.898 8.410 4.751 1.00 0.00 N ATOM 647 CA MET A 46 8.766 7.379 4.116 1.00 0.00 C ATOM 648 C MET A 46 9.925 8.067 3.394 1.00 0.00 C ATOM 649 O MET A 46 11.061 7.647 3.480 1.00 0.00 O ATOM 650 CB MET A 46 7.941 6.576 3.108 1.00 0.00 C ATOM 651 CG MET A 46 8.587 5.207 2.891 1.00 0.00 C ATOM 652 SD MET A 46 7.301 3.989 2.520 1.00 0.00 S ATOM 653 CE MET A 46 7.105 4.396 0.768 1.00 0.00 C ATOM 0 H MET A 46 7.141 8.760 4.164 1.00 0.00 H new ATOM 0 HA MET A 46 9.161 6.710 4.880 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.921 6.454 3.472 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.879 7.114 2.162 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.304 5.257 2.072 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.141 4.908 3.781 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.344 3.752 0.328 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.801 5.438 0.668 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.052 4.244 0.251 1.00 0.00 H new ATOM 663 N ARG A 47 9.646 9.126 2.682 1.00 0.00 N ATOM 664 CA ARG A 47 10.731 9.844 1.956 1.00 0.00 C ATOM 665 C ARG A 47 11.354 10.889 2.882 1.00 0.00 C ATOM 666 O ARG A 47 12.009 11.813 2.440 1.00 0.00 O ATOM 667 CB ARG A 47 10.150 10.533 0.720 1.00 0.00 C ATOM 668 CG ARG A 47 11.237 10.678 -0.349 1.00 0.00 C ATOM 669 CD ARG A 47 11.235 12.108 -0.891 1.00 0.00 C ATOM 670 NE ARG A 47 11.982 12.153 -2.181 1.00 0.00 N ATOM 671 CZ ARG A 47 12.668 13.216 -2.503 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.059 14.356 -2.688 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.964 13.141 -2.642 1.00 0.00 N ATOM 0 H ARG A 47 8.713 9.524 2.572 1.00 0.00 H new ATOM 0 HA ARG A 47 11.496 9.132 1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.315 9.953 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.758 11.514 0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.213 10.440 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.061 9.971 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.211 12.450 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.695 12.782 -0.169 1.00 0.00 H new ATOM 0 HE ARG A 47 11.957 11.352 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.046 14.417 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.596 15.186 -2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.442 12.251 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.499 13.972 -2.894 1.00 0.00 H new ATOM 687 N MET A 48 11.157 10.750 4.164 1.00 0.00 N ATOM 688 CA MET A 48 11.740 11.730 5.121 1.00 0.00 C ATOM 689 C MET A 48 13.263 11.601 5.108 1.00 0.00 C ATOM 690 O MET A 48 13.980 12.546 5.374 1.00 0.00 O ATOM 691 CB MET A 48 11.217 11.439 6.529 1.00 0.00 C ATOM 692 CG MET A 48 10.652 12.721 7.142 1.00 0.00 C ATOM 693 SD MET A 48 11.058 12.774 8.906 1.00 0.00 S ATOM 694 CE MET A 48 10.591 11.070 9.298 1.00 0.00 C ATOM 0 H MET A 48 10.616 9.998 4.590 1.00 0.00 H new ATOM 0 HA MET A 48 11.455 12.741 4.830 1.00 0.00 H new ATOM 0 HB2 MET A 48 10.444 10.672 6.489 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.021 11.049 7.153 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.067 13.593 6.636 1.00 0.00 H new ATOM 0 HG3 MET A 48 9.571 12.757 7.005 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.283 11.008 10.342 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.765 10.762 8.657 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.444 10.412 9.132 1.00 0.00 H new ATOM 704 N LEU A 49 13.763 10.438 4.795 1.00 0.00 N ATOM 705 CA LEU A 49 15.239 10.245 4.758 1.00 0.00 C ATOM 706 C LEU A 49 15.759 10.598 3.361 1.00 0.00 C ATOM 707 O LEU A 49 16.944 10.545 3.099 1.00 0.00 O ATOM 708 CB LEU A 49 15.579 8.782 5.070 1.00 0.00 C ATOM 709 CG LEU A 49 14.959 8.361 6.408 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.126 9.481 7.438 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.470 8.066 6.213 1.00 0.00 C ATOM 0 H LEU A 49 13.212 9.612 4.563 1.00 0.00 H new ATOM 0 HA LEU A 49 15.707 10.890 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.209 8.138 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.661 8.654 5.107 1.00 0.00 H new ATOM 0 HG LEU A 49 15.465 7.465 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.683 9.173 8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.187 9.686 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.628 10.382 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.031 7.767 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.967 8.961 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.351 7.260 5.489 1.00 0.00 H new ATOM 723 N GLY A 50 14.881 10.953 2.461 1.00 0.00 N ATOM 724 CA GLY A 50 15.327 11.303 1.083 1.00 0.00 C ATOM 725 C GLY A 50 15.592 10.019 0.296 1.00 0.00 C ATOM 726 O GLY A 50 16.698 9.762 -0.138 1.00 0.00 O ATOM 0 H GLY A 50 13.876 11.015 2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.564 11.899 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.231 11.911 1.124 1.00 0.00 H new ATOM 730 N GLN A 51 14.586 9.208 0.111 1.00 0.00 N ATOM 731 CA GLN A 51 14.783 7.938 -0.642 1.00 0.00 C ATOM 732 C GLN A 51 14.132 8.052 -2.029 1.00 0.00 C ATOM 733 O GLN A 51 14.265 9.053 -2.704 1.00 0.00 O ATOM 734 CB GLN A 51 14.149 6.782 0.141 1.00 0.00 C ATOM 735 CG GLN A 51 14.722 6.745 1.558 1.00 0.00 C ATOM 736 CD GLN A 51 15.828 5.691 1.635 1.00 0.00 C ATOM 737 OE1 GLN A 51 16.994 6.022 1.719 1.00 0.00 O ATOM 738 NE2 GLN A 51 15.509 4.425 1.610 1.00 0.00 N ATOM 0 H GLN A 51 13.637 9.370 0.449 1.00 0.00 H new ATOM 0 HA GLN A 51 15.849 7.748 -0.767 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.067 6.906 0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.344 5.837 -0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.119 7.724 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.934 6.513 2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.530 4.147 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.239 3.714 1.661 1.00 0.00 H new ATOM 747 N ASN A 52 13.440 7.030 -2.465 1.00 0.00 N ATOM 748 CA ASN A 52 12.796 7.073 -3.807 1.00 0.00 C ATOM 749 C ASN A 52 11.346 7.606 -3.781 1.00 0.00 C ATOM 750 O ASN A 52 10.843 7.978 -4.821 1.00 0.00 O ATOM 751 CB ASN A 52 12.800 5.666 -4.409 1.00 0.00 C ATOM 752 CG ASN A 52 13.218 5.742 -5.878 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.871 6.681 -6.288 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.865 4.787 -6.695 1.00 0.00 N ATOM 0 H ASN A 52 13.294 6.165 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 52 13.377 7.769 -4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.487 5.025 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.809 5.220 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.137 4.829 -7.677 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.317 3.998 -6.351 1.00 0.00 H new ATOM 761 N PRO A 53 10.688 7.621 -2.640 1.00 0.00 N ATOM 762 CA PRO A 53 9.297 8.097 -2.574 1.00 0.00 C ATOM 763 C PRO A 53 9.229 9.626 -2.668 1.00 0.00 C ATOM 764 O PRO A 53 9.033 10.315 -1.688 1.00 0.00 O ATOM 765 CB PRO A 53 8.804 7.593 -1.220 1.00 0.00 C ATOM 766 CG PRO A 53 10.058 7.348 -0.357 1.00 0.00 C ATOM 767 CD PRO A 53 11.234 7.194 -1.333 1.00 0.00 C ATOM 0 HA PRO A 53 8.686 7.734 -3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.147 8.325 -0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.228 6.675 -1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.227 8.180 0.327 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.940 6.453 0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.081 7.812 -1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.589 6.164 -1.368 1.00 0.00 H new ATOM 775 N THR A 54 9.379 10.156 -3.852 1.00 0.00 N ATOM 776 CA THR A 54 9.315 11.632 -4.037 1.00 0.00 C ATOM 777 C THR A 54 7.873 12.104 -3.842 1.00 0.00 C ATOM 778 O THR A 54 6.960 11.308 -3.744 1.00 0.00 O ATOM 779 CB THR A 54 9.760 11.970 -5.461 1.00 0.00 C ATOM 780 OG1 THR A 54 11.036 11.398 -5.706 1.00 0.00 O ATOM 781 CG2 THR A 54 9.835 13.486 -5.639 1.00 0.00 C ATOM 0 H THR A 54 9.545 9.623 -4.706 1.00 0.00 H new ATOM 0 HA THR A 54 9.964 12.124 -3.313 1.00 0.00 H new ATOM 0 HB THR A 54 9.036 11.565 -6.168 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.321 11.613 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.153 13.718 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.853 13.923 -5.457 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.553 13.900 -4.931 1.00 0.00 H new ATOM 789 N LYS A 55 7.657 13.389 -3.799 1.00 0.00 N ATOM 790 CA LYS A 55 6.271 13.897 -3.627 1.00 0.00 C ATOM 791 C LYS A 55 5.442 13.472 -4.833 1.00 0.00 C ATOM 792 O LYS A 55 4.269 13.172 -4.723 1.00 0.00 O ATOM 793 CB LYS A 55 6.291 15.422 -3.545 1.00 0.00 C ATOM 794 CG LYS A 55 4.874 15.938 -3.292 1.00 0.00 C ATOM 795 CD LYS A 55 4.318 16.550 -4.579 1.00 0.00 C ATOM 796 CE LYS A 55 2.985 15.886 -4.927 1.00 0.00 C ATOM 797 NZ LYS A 55 1.970 16.934 -5.229 1.00 0.00 N ATOM 0 H LYS A 55 8.379 14.106 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 55 5.840 13.492 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.955 15.745 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.682 15.842 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.233 15.123 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.883 16.683 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.179 17.624 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.028 16.414 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.109 15.227 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.647 15.267 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.064 16.482 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.845 17.546 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.292 17.507 -6.035 1.00 0.00 H new ATOM 811 N GLU A 56 6.049 13.440 -5.985 1.00 0.00 N ATOM 812 CA GLU A 56 5.308 13.033 -7.205 1.00 0.00 C ATOM 813 C GLU A 56 5.420 11.520 -7.370 1.00 0.00 C ATOM 814 O GLU A 56 4.587 10.885 -7.984 1.00 0.00 O ATOM 815 CB GLU A 56 5.911 13.723 -8.427 1.00 0.00 C ATOM 816 CG GLU A 56 4.788 14.318 -9.273 1.00 0.00 C ATOM 817 CD GLU A 56 5.197 14.308 -10.747 1.00 0.00 C ATOM 818 OE1 GLU A 56 6.300 14.740 -11.039 1.00 0.00 O ATOM 819 OE2 GLU A 56 4.398 13.870 -11.559 1.00 0.00 O ATOM 0 H GLU A 56 7.029 13.679 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 56 4.261 13.320 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.601 14.507 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.487 13.009 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.872 13.744 -9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.577 15.338 -8.950 1.00 0.00 H new ATOM 826 N GLU A 57 6.451 10.942 -6.824 1.00 0.00 N ATOM 827 CA GLU A 57 6.628 9.470 -6.942 1.00 0.00 C ATOM 828 C GLU A 57 5.434 8.766 -6.294 1.00 0.00 C ATOM 829 O GLU A 57 4.933 7.780 -6.798 1.00 0.00 O ATOM 830 CB GLU A 57 7.913 9.047 -6.230 1.00 0.00 C ATOM 831 CG GLU A 57 8.197 7.572 -6.525 1.00 0.00 C ATOM 832 CD GLU A 57 9.084 7.458 -7.766 1.00 0.00 C ATOM 833 OE1 GLU A 57 10.200 7.946 -7.720 1.00 0.00 O ATOM 834 OE2 GLU A 57 8.632 6.883 -8.742 1.00 0.00 O ATOM 0 H GLU A 57 7.180 11.426 -6.300 1.00 0.00 H new ATOM 0 HA GLU A 57 6.692 9.195 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.747 9.663 -6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.814 9.202 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.689 7.108 -5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.261 7.036 -6.684 1.00 0.00 H new ATOM 841 N LEU A 58 4.975 9.267 -5.180 1.00 0.00 N ATOM 842 CA LEU A 58 3.814 8.633 -4.496 1.00 0.00 C ATOM 843 C LEU A 58 2.554 8.858 -5.329 1.00 0.00 C ATOM 844 O LEU A 58 1.562 8.179 -5.165 1.00 0.00 O ATOM 845 CB LEU A 58 3.633 9.263 -3.113 1.00 0.00 C ATOM 846 CG LEU A 58 4.499 8.518 -2.096 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.146 7.029 -2.119 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.977 8.697 -2.458 1.00 0.00 C ATOM 0 H LEU A 58 5.355 10.090 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 58 3.992 7.563 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.912 10.316 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.585 9.219 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 58 4.316 8.919 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.763 6.498 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.094 6.900 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.329 6.627 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.596 8.167 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.159 8.295 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.229 9.757 -2.443 1.00 0.00 H new ATOM 860 N ASP A 59 2.586 9.805 -6.227 1.00 0.00 N ATOM 861 CA ASP A 59 1.389 10.065 -7.072 1.00 0.00 C ATOM 862 C ASP A 59 1.216 8.913 -8.065 1.00 0.00 C ATOM 863 O ASP A 59 0.148 8.695 -8.602 1.00 0.00 O ATOM 864 CB ASP A 59 1.579 11.378 -7.838 1.00 0.00 C ATOM 865 CG ASP A 59 0.517 11.489 -8.934 1.00 0.00 C ATOM 866 OD1 ASP A 59 -0.643 11.646 -8.593 1.00 0.00 O ATOM 867 OD2 ASP A 59 0.883 11.414 -10.095 1.00 0.00 O ATOM 0 H ASP A 59 3.388 10.408 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 59 0.503 10.141 -6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.502 12.224 -7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.576 11.414 -8.278 1.00 0.00 H new ATOM 872 N ALA A 60 2.263 8.170 -8.310 1.00 0.00 N ATOM 873 CA ALA A 60 2.165 7.028 -9.264 1.00 0.00 C ATOM 874 C ALA A 60 1.361 5.897 -8.620 1.00 0.00 C ATOM 875 O ALA A 60 0.370 5.443 -9.156 1.00 0.00 O ATOM 876 CB ALA A 60 3.570 6.526 -9.602 1.00 0.00 C ATOM 0 H ALA A 60 3.183 8.305 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 60 1.667 7.356 -10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.500 5.691 -10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.145 7.332 -10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.068 6.196 -8.690 1.00 0.00 H new ATOM 882 N ILE A 61 1.777 5.442 -7.470 1.00 0.00 N ATOM 883 CA ILE A 61 1.028 4.346 -6.790 1.00 0.00 C ATOM 884 C ILE A 61 -0.361 4.860 -6.425 1.00 0.00 C ATOM 885 O ILE A 61 -1.359 4.199 -6.631 1.00 0.00 O ATOM 886 CB ILE A 61 1.757 3.929 -5.511 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.263 4.097 -5.694 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.449 2.470 -5.192 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.716 5.336 -4.929 1.00 0.00 C ATOM 0 H ILE A 61 2.601 5.780 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 61 0.955 3.486 -7.456 1.00 0.00 H new ATOM 0 HB ILE A 61 1.418 4.561 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.788 3.215 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.506 4.197 -6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.971 2.179 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.375 2.347 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.781 1.839 -6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.791 5.467 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.197 6.213 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.484 5.215 -3.871 1.00 0.00 H new ATOM 901 N ILE A 62 -0.424 6.041 -5.879 1.00 0.00 N ATOM 902 CA ILE A 62 -1.737 6.619 -5.492 1.00 0.00 C ATOM 903 C ILE A 62 -2.568 6.876 -6.751 1.00 0.00 C ATOM 904 O ILE A 62 -3.765 7.069 -6.691 1.00 0.00 O ATOM 905 CB ILE A 62 -1.508 7.937 -4.749 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.975 7.636 -3.338 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.822 8.720 -4.662 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.135 7.310 -2.391 1.00 0.00 C ATOM 0 H ILE A 62 0.383 6.633 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.269 5.924 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.778 8.540 -5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.280 6.797 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.419 8.494 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.653 9.657 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.186 8.932 -5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.563 8.128 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.744 7.099 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.814 8.161 -2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.673 6.438 -2.762 1.00 0.00 H new ATOM 920 N GLU A 63 -1.941 6.879 -7.894 1.00 0.00 N ATOM 921 CA GLU A 63 -2.693 7.122 -9.157 1.00 0.00 C ATOM 922 C GLU A 63 -3.621 5.937 -9.432 1.00 0.00 C ATOM 923 O GLU A 63 -4.719 6.096 -9.924 1.00 0.00 O ATOM 924 CB GLU A 63 -1.706 7.267 -10.314 1.00 0.00 C ATOM 925 CG GLU A 63 -1.769 8.693 -10.859 1.00 0.00 C ATOM 926 CD GLU A 63 -2.735 8.744 -12.044 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.586 7.873 -12.127 1.00 0.00 O ATOM 928 OE2 GLU A 63 -2.610 9.654 -12.847 1.00 0.00 O ATOM 0 H GLU A 63 -0.939 6.724 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.282 8.034 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.695 7.040 -9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.946 6.554 -11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.099 9.378 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.777 9.019 -11.171 1.00 0.00 H new ATOM 935 N GLU A 64 -3.180 4.751 -9.121 1.00 0.00 N ATOM 936 CA GLU A 64 -4.025 3.547 -9.369 1.00 0.00 C ATOM 937 C GLU A 64 -4.980 3.322 -8.191 1.00 0.00 C ATOM 938 O GLU A 64 -5.278 2.200 -7.831 1.00 0.00 O ATOM 939 CB GLU A 64 -3.125 2.320 -9.524 1.00 0.00 C ATOM 940 CG GLU A 64 -2.440 2.022 -8.188 1.00 0.00 C ATOM 941 CD GLU A 64 -2.825 0.619 -7.718 1.00 0.00 C ATOM 942 OE1 GLU A 64 -3.866 0.490 -7.094 1.00 0.00 O ATOM 943 OE2 GLU A 64 -2.073 -0.303 -7.987 1.00 0.00 O ATOM 0 H GLU A 64 -2.268 4.561 -8.705 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.606 3.702 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.715 1.460 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.378 2.498 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.358 2.096 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.736 2.760 -7.443 1.00 0.00 H new ATOM 950 N VAL A 65 -5.468 4.372 -7.588 1.00 0.00 N ATOM 951 CA VAL A 65 -6.404 4.204 -6.441 1.00 0.00 C ATOM 952 C VAL A 65 -7.092 5.541 -6.157 1.00 0.00 C ATOM 953 O VAL A 65 -8.283 5.688 -6.340 1.00 0.00 O ATOM 954 CB VAL A 65 -5.636 3.739 -5.193 1.00 0.00 C ATOM 955 CG1 VAL A 65 -5.754 2.219 -5.060 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.155 4.119 -5.306 1.00 0.00 C ATOM 0 H VAL A 65 -5.259 5.338 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.151 3.451 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.063 4.225 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.210 1.888 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.804 1.943 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.332 1.742 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.624 3.783 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.723 3.643 -6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.063 5.201 -5.397 1.00 0.00 H new ATOM 966 N ASP A 66 -6.349 6.520 -5.717 1.00 0.00 N ATOM 967 CA ASP A 66 -6.959 7.848 -5.430 1.00 0.00 C ATOM 968 C ASP A 66 -7.665 8.364 -6.684 1.00 0.00 C ATOM 969 O ASP A 66 -7.069 9.012 -7.521 1.00 0.00 O ATOM 970 CB ASP A 66 -5.865 8.837 -5.019 1.00 0.00 C ATOM 971 CG ASP A 66 -6.467 10.238 -4.887 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.971 10.740 -5.878 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.413 10.784 -3.798 1.00 0.00 O ATOM 0 H ASP A 66 -5.346 6.457 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.680 7.748 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.420 8.530 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.066 8.841 -5.761 1.00 0.00 H new ATOM 978 N GLU A 67 -8.934 8.073 -6.816 1.00 0.00 N ATOM 979 CA GLU A 67 -9.700 8.537 -8.012 1.00 0.00 C ATOM 980 C GLU A 67 -9.252 9.947 -8.407 1.00 0.00 C ATOM 981 O GLU A 67 -8.479 10.125 -9.327 1.00 0.00 O ATOM 982 CB GLU A 67 -11.196 8.554 -7.681 1.00 0.00 C ATOM 983 CG GLU A 67 -11.648 7.149 -7.280 1.00 0.00 C ATOM 984 CD GLU A 67 -13.099 6.936 -7.718 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.981 7.445 -7.047 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.302 6.267 -8.719 1.00 0.00 O ATOM 0 H GLU A 67 -9.475 7.531 -6.143 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.513 7.857 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.391 9.255 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.766 8.898 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.004 6.402 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.560 7.021 -6.201 1.00 0.00 H new ATOM 993 N ASP A 68 -9.729 10.952 -7.722 1.00 0.00 N ATOM 994 CA ASP A 68 -9.325 12.345 -8.064 1.00 0.00 C ATOM 995 C ASP A 68 -8.662 12.999 -6.850 1.00 0.00 C ATOM 996 O ASP A 68 -7.963 13.986 -6.972 1.00 0.00 O ATOM 997 CB ASP A 68 -10.562 13.154 -8.463 1.00 0.00 C ATOM 998 CG ASP A 68 -10.438 13.594 -9.924 1.00 0.00 C ATOM 999 OD1 ASP A 68 -9.459 14.248 -10.244 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -11.323 13.267 -10.697 1.00 0.00 O ATOM 0 H ASP A 68 -10.380 10.868 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.621 12.322 -8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.461 12.553 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.662 14.026 -7.817 1.00 0.00 H new ATOM 1005 N GLY A 69 -8.875 12.461 -5.681 1.00 0.00 N ATOM 1006 CA GLY A 69 -8.254 13.057 -4.464 1.00 0.00 C ATOM 1007 C GLY A 69 -8.966 12.538 -3.213 1.00 0.00 C ATOM 1008 O GLY A 69 -9.492 13.300 -2.426 1.00 0.00 O ATOM 0 H GLY A 69 -9.451 11.636 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.195 12.803 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.319 14.144 -4.506 1.00 0.00 H new ATOM 1012 N SER A 70 -8.984 11.247 -3.022 1.00 0.00 N ATOM 1013 CA SER A 70 -9.656 10.676 -1.822 1.00 0.00 C ATOM 1014 C SER A 70 -9.294 9.197 -1.705 1.00 0.00 C ATOM 1015 O SER A 70 -9.068 8.688 -0.626 1.00 0.00 O ATOM 1016 CB SER A 70 -11.172 10.815 -1.965 1.00 0.00 C ATOM 1017 OG SER A 70 -11.511 12.190 -2.092 1.00 0.00 O ATOM 0 H SER A 70 -8.561 10.562 -3.648 1.00 0.00 H new ATOM 0 HA SER A 70 -9.328 11.211 -0.931 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.518 10.262 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.671 10.385 -1.097 1.00 0.00 H new ATOM 0 HG SER A 70 -10.814 12.739 -1.676 1.00 0.00 H new ATOM 1023 N GLY A 71 -9.234 8.505 -2.810 1.00 0.00 N ATOM 1024 CA GLY A 71 -8.882 7.059 -2.766 1.00 0.00 C ATOM 1025 C GLY A 71 -7.473 6.902 -2.207 1.00 0.00 C ATOM 1026 O GLY A 71 -6.500 6.883 -2.934 1.00 0.00 O ATOM 0 H GLY A 71 -9.414 8.880 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.595 6.518 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.939 6.628 -3.766 1.00 0.00 H new ATOM 1030 N THR A 72 -7.361 6.803 -0.917 1.00 0.00 N ATOM 1031 CA THR A 72 -6.024 6.661 -0.291 1.00 0.00 C ATOM 1032 C THR A 72 -5.636 5.192 -0.219 1.00 0.00 C ATOM 1033 O THR A 72 -6.227 4.351 -0.867 1.00 0.00 O ATOM 1034 CB THR A 72 -6.071 7.244 1.114 1.00 0.00 C ATOM 1035 OG1 THR A 72 -7.417 7.274 1.569 1.00 0.00 O ATOM 1036 CG2 THR A 72 -5.514 8.653 1.065 1.00 0.00 C ATOM 0 H THR A 72 -8.145 6.814 -0.264 1.00 0.00 H new ATOM 0 HA THR A 72 -5.285 7.193 -0.890 1.00 0.00 H new ATOM 0 HB THR A 72 -5.481 6.634 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.448 7.648 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.539 9.089 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.485 8.625 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.117 9.259 0.389 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.640 4.870 0.558 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.226 3.452 0.648 1.00 0.00 C ATOM 1046 C ILE A 73 -4.537 2.896 2.040 1.00 0.00 C ATOM 1047 O ILE A 73 -4.493 3.599 3.031 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.727 3.328 0.367 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.300 4.411 -0.626 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -2.436 1.950 -0.231 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.774 4.447 -0.716 1.00 0.00 C ATOM 0 H ILE A 73 -4.102 5.523 1.128 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.781 2.878 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.172 3.449 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.728 4.208 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.679 5.382 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.369 1.859 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.740 1.176 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.992 1.832 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.469 5.218 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.357 4.670 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.407 3.478 -1.055 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.849 1.631 2.115 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.164 1.004 3.430 1.00 0.00 C ATOM 1065 C ASP A 74 -4.840 -0.489 3.348 1.00 0.00 C ATOM 1066 O ASP A 74 -4.580 -1.009 2.284 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.653 1.197 3.738 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.006 0.484 5.044 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.369 0.773 6.044 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -7.907 -0.338 5.023 1.00 0.00 O ATOM 0 H ASP A 74 -4.900 1.000 1.315 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.574 1.466 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.883 2.259 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.257 0.801 2.922 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.846 -1.182 4.458 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.530 -2.644 4.432 1.00 0.00 C ATOM 1077 C PHE A 75 -5.142 -3.296 3.187 1.00 0.00 C ATOM 1078 O PHE A 75 -4.637 -4.280 2.682 1.00 0.00 O ATOM 1079 CB PHE A 75 -5.095 -3.312 5.688 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.954 -3.708 6.590 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -2.984 -2.764 6.940 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.862 -5.019 7.074 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -1.922 -3.128 7.774 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -2.799 -5.385 7.909 1.00 0.00 C ATOM 1085 CZ PHE A 75 -1.828 -4.438 8.259 1.00 0.00 C ATOM 0 H PHE A 75 -5.056 -0.800 5.380 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.448 -2.772 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.766 -2.629 6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.682 -4.189 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.055 -1.753 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.611 -5.748 6.803 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.174 -2.398 8.044 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.728 -6.396 8.283 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.007 -4.718 8.903 1.00 0.00 H new ATOM 1095 N GLU A 76 -6.220 -2.759 2.684 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.850 -3.353 1.471 1.00 0.00 C ATOM 1097 C GLU A 76 -5.931 -3.149 0.262 1.00 0.00 C ATOM 1098 O GLU A 76 -5.290 -4.070 -0.204 1.00 0.00 O ATOM 1099 CB GLU A 76 -8.195 -2.672 1.206 1.00 0.00 C ATOM 1100 CG GLU A 76 -9.267 -3.289 2.106 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.306 -2.226 2.467 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.987 -1.366 3.271 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -11.401 -2.290 1.933 1.00 0.00 O ATOM 0 H GLU A 76 -6.691 -1.936 3.060 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.007 -4.419 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.116 -1.602 1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.473 -2.789 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.748 -4.124 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.810 -3.688 3.012 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.871 -1.951 -0.256 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.003 -1.685 -1.441 1.00 0.00 C ATOM 1112 C GLU A 77 -3.530 -1.892 -1.070 1.00 0.00 C ATOM 1113 O GLU A 77 -2.816 -2.619 -1.725 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.208 -0.243 -1.908 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.705 0.045 -2.033 1.00 0.00 C ATOM 1116 CD GLU A 77 -7.003 1.440 -1.483 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.780 2.399 -2.202 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.446 1.525 -0.349 1.00 0.00 O ATOM 0 H GLU A 77 -6.387 -1.143 0.091 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.272 -2.375 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.752 0.448 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.715 -0.087 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.013 -0.020 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.277 -0.704 -1.485 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.076 -1.244 -0.031 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.648 -1.384 0.393 1.00 0.00 C ATOM 1127 C PHE A 78 -1.160 -2.824 0.183 1.00 0.00 C ATOM 1128 O PHE A 78 0.012 -3.062 -0.034 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.525 -1.018 1.874 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.084 -1.136 2.306 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.511 -2.397 2.424 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.657 0.018 2.587 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.848 -2.505 2.825 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.994 -0.091 2.989 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.589 -1.351 3.108 1.00 0.00 C ATOM 0 H PHE A 78 -3.636 -0.618 0.548 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.034 -0.716 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.883 -0.002 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.151 -1.678 2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.061 -3.287 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.198 0.991 2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.308 -3.478 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.566 0.799 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.620 -1.434 3.418 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.042 -3.784 0.246 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.616 -5.200 0.052 1.00 0.00 C ATOM 1147 C LEU A 79 -1.518 -5.526 -1.443 1.00 0.00 C ATOM 1148 O LEU A 79 -0.561 -6.127 -1.891 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.639 -6.132 0.707 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.362 -6.220 2.207 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -3.517 -6.943 2.900 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.064 -6.998 2.438 1.00 0.00 C ATOM 0 H LEU A 79 -3.038 -3.650 0.423 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.637 -5.341 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.649 -5.760 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.584 -7.123 0.257 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.265 -5.215 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.318 -7.005 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.443 -6.392 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.615 -7.948 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.864 -7.062 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.164 -8.002 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.239 -6.484 1.945 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.500 -5.150 -2.220 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.451 -5.461 -3.680 1.00 0.00 C ATOM 1166 C VAL A 80 -1.256 -4.758 -4.328 1.00 0.00 C ATOM 1167 O VAL A 80 -0.544 -5.337 -5.126 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.752 -5.005 -4.352 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.945 -5.419 -3.490 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -3.750 -3.483 -4.519 1.00 0.00 C ATOM 0 H VAL A 80 -3.329 -4.644 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.339 -6.538 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.828 -5.473 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.869 -5.095 -3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.955 -6.503 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.862 -4.955 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.678 -3.168 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.667 -3.010 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.904 -3.186 -5.138 1.00 0.00 H new ATOM 1180 N MET A 81 -1.024 -3.517 -3.999 1.00 0.00 N ATOM 1181 CA MET A 81 0.128 -2.792 -4.605 1.00 0.00 C ATOM 1182 C MET A 81 1.403 -3.618 -4.420 1.00 0.00 C ATOM 1183 O MET A 81 2.357 -3.477 -5.159 1.00 0.00 O ATOM 1184 CB MET A 81 0.295 -1.433 -3.921 1.00 0.00 C ATOM 1185 CG MET A 81 0.238 -1.614 -2.401 1.00 0.00 C ATOM 1186 SD MET A 81 1.816 -1.105 -1.675 1.00 0.00 S ATOM 1187 CE MET A 81 1.951 0.492 -2.516 1.00 0.00 C ATOM 0 H MET A 81 -1.581 -2.975 -3.338 1.00 0.00 H new ATOM 0 HA MET A 81 -0.057 -2.641 -5.669 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.246 -0.984 -4.209 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.491 -0.751 -4.246 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.575 -1.020 -1.983 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.031 -2.656 -2.155 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.485 1.195 -1.877 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.496 0.366 -3.452 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.954 0.878 -2.726 1.00 0.00 H new ATOM 1197 N MET A 82 1.429 -4.477 -3.437 1.00 0.00 N ATOM 1198 CA MET A 82 2.643 -5.309 -3.202 1.00 0.00 C ATOM 1199 C MET A 82 2.537 -6.617 -3.989 1.00 0.00 C ATOM 1200 O MET A 82 3.528 -7.176 -4.415 1.00 0.00 O ATOM 1201 CB MET A 82 2.763 -5.624 -1.709 1.00 0.00 C ATOM 1202 CG MET A 82 4.038 -4.992 -1.151 1.00 0.00 C ATOM 1203 SD MET A 82 5.293 -6.274 -0.911 1.00 0.00 S ATOM 1204 CE MET A 82 6.206 -5.992 -2.447 1.00 0.00 C ATOM 0 H MET A 82 0.661 -4.638 -2.786 1.00 0.00 H new ATOM 0 HA MET A 82 3.524 -4.760 -3.534 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.893 -5.242 -1.176 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.783 -6.703 -1.555 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.408 -4.229 -1.836 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.826 -4.494 -0.205 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.939 -6.786 -2.585 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.512 -5.988 -3.287 1.00 0.00 H new ATOM 0 HE3 MET A 82 6.718 -5.031 -2.395 1.00 0.00 H new ATOM 1214 N VAL A 83 1.347 -7.115 -4.179 1.00 0.00 N ATOM 1215 CA VAL A 83 1.184 -8.393 -4.930 1.00 0.00 C ATOM 1216 C VAL A 83 1.344 -8.138 -6.431 1.00 0.00 C ATOM 1217 O VAL A 83 1.514 -9.056 -7.209 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.205 -8.972 -4.655 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.391 -10.260 -5.460 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.340 -9.278 -3.162 1.00 0.00 C ATOM 0 H VAL A 83 0.480 -6.693 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 83 1.946 -9.101 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.966 -8.249 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.381 -10.672 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.293 -10.042 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.368 -10.985 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.329 -9.691 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.421 -10.001 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.208 -8.360 -2.589 1.00 0.00 H new ATOM 1230 N ARG A 84 1.290 -6.903 -6.845 1.00 0.00 N ATOM 1231 CA ARG A 84 1.437 -6.597 -8.296 1.00 0.00 C ATOM 1232 C ARG A 84 2.796 -7.098 -8.791 1.00 0.00 C ATOM 1233 O ARG A 84 2.878 -7.989 -9.613 1.00 0.00 O ATOM 1234 CB ARG A 84 1.341 -5.085 -8.511 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.123 -4.650 -8.426 1.00 0.00 C ATOM 1236 CD ARG A 84 -0.261 -3.216 -8.939 1.00 0.00 C ATOM 1237 NE ARG A 84 -0.882 -3.230 -10.293 1.00 0.00 N ATOM 1238 CZ ARG A 84 -1.526 -2.180 -10.727 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.307 -1.012 -10.187 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -2.385 -2.299 -11.701 1.00 0.00 N ATOM 0 H ARG A 84 1.151 -6.092 -6.242 1.00 0.00 H new ATOM 0 HA ARG A 84 0.643 -7.095 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.931 -4.562 -7.759 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.755 -4.818 -9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.747 -5.320 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.473 -4.714 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.873 -2.630 -8.253 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.718 -2.738 -8.981 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.804 -4.060 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.633 -0.920 -9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.810 -0.191 -10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.554 -3.212 -12.124 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.888 -1.479 -12.040 1.00 0.00 H new ATOM 1254 N GLN A 85 3.863 -6.533 -8.297 1.00 0.00 N ATOM 1255 CA GLN A 85 5.215 -6.976 -8.741 1.00 0.00 C ATOM 1256 C GLN A 85 5.699 -8.116 -7.843 1.00 0.00 C ATOM 1257 O GLN A 85 6.407 -7.903 -6.879 1.00 0.00 O ATOM 1258 CB GLN A 85 6.190 -5.800 -8.648 1.00 0.00 C ATOM 1259 CG GLN A 85 7.625 -6.308 -8.806 1.00 0.00 C ATOM 1260 CD GLN A 85 8.392 -5.388 -9.756 1.00 0.00 C ATOM 1261 OE1 GLN A 85 9.348 -4.748 -9.362 1.00 0.00 O ATOM 1262 NE2 GLN A 85 8.011 -5.292 -11.000 1.00 0.00 N ATOM 0 H GLN A 85 3.857 -5.784 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 85 5.164 -7.325 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.966 -5.067 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.076 -5.295 -7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.120 -6.339 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.620 -7.326 -9.194 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.209 -5.829 -11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.515 -4.680 -11.642 1.00 0.00 H new ATOM 1271 N MET A 86 5.322 -9.328 -8.151 1.00 0.00 N ATOM 1272 CA MET A 86 5.760 -10.481 -7.313 1.00 0.00 C ATOM 1273 C MET A 86 7.117 -10.984 -7.809 1.00 0.00 C ATOM 1274 O MET A 86 7.512 -10.731 -8.929 1.00 0.00 O ATOM 1275 CB MET A 86 4.728 -11.606 -7.414 1.00 0.00 C ATOM 1276 CG MET A 86 3.721 -11.480 -6.269 1.00 0.00 C ATOM 1277 SD MET A 86 3.856 -12.922 -5.185 1.00 0.00 S ATOM 1278 CE MET A 86 3.082 -12.181 -3.727 1.00 0.00 C ATOM 0 H MET A 86 4.730 -9.569 -8.946 1.00 0.00 H new ATOM 0 HA MET A 86 5.849 -10.164 -6.274 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.212 -11.556 -8.373 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.225 -12.575 -7.370 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.910 -10.568 -5.703 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.709 -11.405 -6.667 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.170 -12.864 -2.882 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.581 -11.242 -3.488 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.028 -11.991 -3.932 1.00 0.00 H new ATOM 1288 N LYS A 87 7.835 -11.692 -6.982 1.00 0.00 N ATOM 1289 CA LYS A 87 9.167 -12.208 -7.409 1.00 0.00 C ATOM 1290 C LYS A 87 8.978 -13.442 -8.292 1.00 0.00 C ATOM 1291 O LYS A 87 9.914 -13.940 -8.885 1.00 0.00 O ATOM 1292 CB LYS A 87 9.991 -12.579 -6.174 1.00 0.00 C ATOM 1293 CG LYS A 87 10.569 -11.309 -5.547 1.00 0.00 C ATOM 1294 CD LYS A 87 11.267 -11.659 -4.231 1.00 0.00 C ATOM 1295 CE LYS A 87 12.780 -11.711 -4.452 1.00 0.00 C ATOM 1296 NZ LYS A 87 13.477 -11.631 -3.137 1.00 0.00 N ATOM 0 H LYS A 87 7.558 -11.936 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 87 9.691 -11.437 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.366 -13.103 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.796 -13.259 -6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.276 -10.842 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.774 -10.585 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.025 -10.916 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.910 -12.621 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.052 -12.634 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.093 -10.887 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.506 -11.666 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.226 -10.739 -2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.186 -12.432 -2.541 1.00 0.00 H new ATOM 1310 N GLU A 88 7.774 -13.936 -8.391 1.00 0.00 N ATOM 1311 CA GLU A 88 7.535 -15.132 -9.244 1.00 0.00 C ATOM 1312 C GLU A 88 8.052 -14.847 -10.655 1.00 0.00 C ATOM 1313 O GLU A 88 8.393 -15.746 -11.397 1.00 0.00 O ATOM 1314 CB GLU A 88 6.035 -15.433 -9.299 1.00 0.00 C ATOM 1315 CG GLU A 88 5.817 -16.842 -9.851 1.00 0.00 C ATOM 1316 CD GLU A 88 5.457 -17.791 -8.705 1.00 0.00 C ATOM 1317 OE1 GLU A 88 5.632 -17.400 -7.563 1.00 0.00 O ATOM 1318 OE2 GLU A 88 5.013 -18.890 -8.991 1.00 0.00 O ATOM 0 H GLU A 88 6.949 -13.564 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 88 8.057 -15.993 -8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.600 -15.350 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.530 -14.702 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.019 -16.833 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.719 -17.190 -10.355 1.00 0.00 H new ATOM 1325 N ASP A 89 8.117 -13.597 -11.027 1.00 0.00 N ATOM 1326 CA ASP A 89 8.616 -13.247 -12.386 1.00 0.00 C ATOM 1327 C ASP A 89 8.624 -11.727 -12.550 1.00 0.00 C ATOM 1328 O ASP A 89 9.517 -11.161 -13.150 1.00 0.00 O ATOM 1329 CB ASP A 89 7.703 -13.871 -13.444 1.00 0.00 C ATOM 1330 CG ASP A 89 8.064 -13.315 -14.821 1.00 0.00 C ATOM 1331 OD1 ASP A 89 9.088 -12.662 -14.925 1.00 0.00 O ATOM 1332 OD2 ASP A 89 7.308 -13.551 -15.751 1.00 0.00 O ATOM 0 H ASP A 89 7.846 -12.803 -10.447 1.00 0.00 H new ATOM 0 HA ASP A 89 9.628 -13.631 -12.510 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.811 -14.956 -13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.660 -13.653 -13.214 1.00 0.00 H new ATOM 1337 N ALA A 90 7.635 -11.058 -12.022 1.00 0.00 N ATOM 1338 CA ALA A 90 7.587 -9.574 -12.148 1.00 0.00 C ATOM 1339 C ALA A 90 8.814 -8.967 -11.466 1.00 0.00 C ATOM 1340 O ALA A 90 9.490 -8.174 -12.102 1.00 0.00 O ATOM 1341 CB ALA A 90 6.318 -9.045 -11.477 1.00 0.00 C ATOM 1342 OXT ALA A 90 9.058 -9.303 -10.319 1.00 0.00 O ATOM 0 H ALA A 90 6.858 -11.475 -11.509 1.00 0.00 H new ATOM 0 HA ALA A 90 7.582 -9.298 -13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.283 -7.959 -11.569 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.443 -9.479 -11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.323 -9.319 -10.422 1.00 0.00 H new TER 1348 ALA A 90