USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 828 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 65 ASN : amide:sc= -0.272 K(o=-3.8,f=-13!) USER MOD Set 1.2: A 66 SER OG : rot -68:sc= -3.53! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 172:sc= 0 (180deg=-0.0791) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0.325 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 133:sc= 2.02 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000765) USER MOD Single : A 26 HIS : no HD1:sc= -0.82! C(o=-0.82!,f=-10!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.948! C(o=-0.95!,f=-2.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc=-0.00266 USER MOD Single : A 42 SER OG : rot 47:sc= 0.76 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.784 F(o=-1.4,f=-0.78) USER MOD Single : A 57 THR OG1 : rot -53:sc= -0.325! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.42 F(o=-2.3,f=-1.4) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -3.24 F(o=-6.4!,f=-3.2) USER MOD Single : A 76 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.163) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 78:sc= -7.16! USER MOD Single : A 92 GLN :FLIP amide:sc= -0.757 F(o=-2.1!,f=-0.76) USER MOD Single : A 99 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.8) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00524 USER MOD Single : A 104 SER OG : rot -39:sc= 0.656 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.041 -8.939 10.363 1.00 0.00 N ATOM 2 CA GLY A 1 -0.053 -7.991 10.492 1.00 0.00 C ATOM 3 C GLY A 1 -1.191 -8.577 11.331 1.00 0.00 C ATOM 4 O GLY A 1 -1.413 -8.154 12.464 1.00 0.00 O ATOM 0 H1 GLY A 1 1.800 -8.518 9.790 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.410 -9.174 11.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.698 -9.805 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.309 -7.073 10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.426 -7.724 9.503 1.00 0.00 H new ATOM 8 N SER A 2 -1.881 -9.543 10.742 1.00 0.00 N ATOM 9 CA SER A 2 -2.990 -10.191 11.420 1.00 0.00 C ATOM 10 C SER A 2 -4.088 -9.170 11.723 1.00 0.00 C ATOM 11 O SER A 2 -4.176 -8.660 12.839 1.00 0.00 O ATOM 12 CB SER A 2 -2.525 -10.869 12.711 1.00 0.00 C ATOM 13 OG SER A 2 -1.703 -12.004 12.452 1.00 0.00 O ATOM 0 H SER A 2 -1.693 -9.892 9.802 1.00 0.00 H new ATOM 0 HA SER A 2 -3.391 -10.961 10.760 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.972 -10.152 13.318 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.394 -11.176 13.293 1.00 0.00 H new ATOM 0 HG SER A 2 -1.426 -12.408 13.301 1.00 0.00 H new ATOM 19 N SER A 3 -4.897 -8.901 10.709 1.00 0.00 N ATOM 20 CA SER A 3 -5.986 -7.949 10.853 1.00 0.00 C ATOM 21 C SER A 3 -7.329 -8.681 10.816 1.00 0.00 C ATOM 22 O SER A 3 -7.644 -9.358 9.838 1.00 0.00 O ATOM 23 CB SER A 3 -5.932 -6.882 9.758 1.00 0.00 C ATOM 24 OG SER A 3 -4.905 -5.924 9.996 1.00 0.00 O ATOM 0 H SER A 3 -4.821 -9.325 9.785 1.00 0.00 H new ATOM 0 HA SER A 3 -5.879 -7.449 11.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.764 -7.361 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.895 -6.374 9.699 1.00 0.00 H new ATOM 0 HG SER A 3 -4.902 -5.261 9.274 1.00 0.00 H new ATOM 30 N GLY A 4 -8.084 -8.521 11.893 1.00 0.00 N ATOM 31 CA GLY A 4 -9.386 -9.158 11.995 1.00 0.00 C ATOM 32 C GLY A 4 -10.478 -8.274 11.390 1.00 0.00 C ATOM 33 O GLY A 4 -10.718 -8.315 10.185 1.00 0.00 O ATOM 0 H GLY A 4 -7.819 -7.960 12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.366 -10.119 11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.615 -9.360 13.041 1.00 0.00 H new ATOM 37 N SER A 5 -11.111 -7.494 12.255 1.00 0.00 N ATOM 38 CA SER A 5 -12.172 -6.602 11.821 1.00 0.00 C ATOM 39 C SER A 5 -12.465 -5.569 12.911 1.00 0.00 C ATOM 40 O SER A 5 -12.788 -5.929 14.042 1.00 0.00 O ATOM 41 CB SER A 5 -13.441 -7.383 11.474 1.00 0.00 C ATOM 42 OG SER A 5 -14.490 -6.526 11.029 1.00 0.00 O ATOM 0 H SER A 5 -10.909 -7.462 13.254 1.00 0.00 H new ATOM 0 HA SER A 5 -11.839 -6.086 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.216 -8.114 10.697 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.775 -7.940 12.349 1.00 0.00 H new ATOM 0 HG SER A 5 -15.282 -7.062 10.816 1.00 0.00 H new ATOM 48 N SER A 6 -12.342 -4.305 12.532 1.00 0.00 N ATOM 49 CA SER A 6 -12.590 -3.217 13.462 1.00 0.00 C ATOM 50 C SER A 6 -13.330 -2.080 12.754 1.00 0.00 C ATOM 51 O SER A 6 -14.424 -1.697 13.164 1.00 0.00 O ATOM 52 CB SER A 6 -11.283 -2.703 14.070 1.00 0.00 C ATOM 53 OG SER A 6 -10.554 -3.739 14.722 1.00 0.00 O ATOM 0 H SER A 6 -12.074 -4.010 11.593 1.00 0.00 H new ATOM 0 HA SER A 6 -13.212 -3.596 14.273 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.666 -2.264 13.286 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.503 -1.910 14.784 1.00 0.00 H new ATOM 0 HG SER A 6 -9.726 -3.371 15.095 1.00 0.00 H new ATOM 59 N GLY A 7 -12.702 -1.573 11.703 1.00 0.00 N ATOM 60 CA GLY A 7 -13.286 -0.488 10.934 1.00 0.00 C ATOM 61 C GLY A 7 -12.816 -0.532 9.479 1.00 0.00 C ATOM 62 O GLY A 7 -13.214 -1.415 8.720 1.00 0.00 O ATOM 0 H GLY A 7 -11.794 -1.894 11.366 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.373 -0.556 10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.011 0.468 11.380 1.00 0.00 H new ATOM 66 N SER A 8 -11.975 0.432 9.133 1.00 0.00 N ATOM 67 CA SER A 8 -11.446 0.514 7.782 1.00 0.00 C ATOM 68 C SER A 8 -10.366 -0.549 7.577 1.00 0.00 C ATOM 69 O SER A 8 -9.887 -1.146 8.540 1.00 0.00 O ATOM 70 CB SER A 8 -10.880 1.907 7.496 1.00 0.00 C ATOM 71 OG SER A 8 -11.844 2.932 7.725 1.00 0.00 O ATOM 0 H SER A 8 -11.647 1.163 9.765 1.00 0.00 H new ATOM 0 HA SER A 8 -12.263 0.332 7.084 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.009 2.081 8.127 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.539 1.955 6.462 1.00 0.00 H new ATOM 0 HG SER A 8 -11.444 3.806 7.533 1.00 0.00 H new ATOM 77 N THR A 9 -10.014 -0.755 6.317 1.00 0.00 N ATOM 78 CA THR A 9 -8.999 -1.736 5.973 1.00 0.00 C ATOM 79 C THR A 9 -7.612 -1.233 6.378 1.00 0.00 C ATOM 80 O THR A 9 -6.901 -1.899 7.129 1.00 0.00 O ATOM 81 CB THR A 9 -9.122 -2.041 4.479 1.00 0.00 C ATOM 82 OG1 THR A 9 -10.380 -2.701 4.362 1.00 0.00 O ATOM 83 CG2 THR A 9 -8.108 -3.086 4.009 1.00 0.00 C ATOM 0 H THR A 9 -10.414 -0.259 5.521 1.00 0.00 H new ATOM 0 HA THR A 9 -9.146 -2.666 6.522 1.00 0.00 H new ATOM 0 HB THR A 9 -8.987 -1.122 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.541 -2.933 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.239 -3.265 2.942 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.098 -2.722 4.195 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.265 -4.016 4.555 1.00 0.00 H new ATOM 91 N MET A 10 -7.268 -0.062 5.862 1.00 0.00 N ATOM 92 CA MET A 10 -5.979 0.538 6.161 1.00 0.00 C ATOM 93 C MET A 10 -6.045 2.062 6.048 1.00 0.00 C ATOM 94 O MET A 10 -6.627 2.594 5.105 1.00 0.00 O ATOM 95 CB MET A 10 -4.928 -0.001 5.188 1.00 0.00 C ATOM 96 CG MET A 10 -3.531 0.041 5.812 1.00 0.00 C ATOM 97 SD MET A 10 -3.264 -1.416 6.809 1.00 0.00 S ATOM 98 CE MET A 10 -2.476 -0.678 8.231 1.00 0.00 C ATOM 0 H MET A 10 -7.860 0.487 5.239 1.00 0.00 H new ATOM 0 HA MET A 10 -5.707 0.280 7.184 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.176 -1.026 4.910 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.939 0.589 4.272 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.775 0.099 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.424 0.936 6.425 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.368 -1.426 9.016 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.492 -0.304 7.948 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.086 0.147 8.598 1.00 0.00 H new ATOM 108 N SER A 11 -5.438 2.722 7.024 1.00 0.00 N ATOM 109 CA SER A 11 -5.420 4.175 7.047 1.00 0.00 C ATOM 110 C SER A 11 -4.491 4.670 8.156 1.00 0.00 C ATOM 111 O SER A 11 -4.396 4.049 9.214 1.00 0.00 O ATOM 112 CB SER A 11 -6.828 4.740 7.243 1.00 0.00 C ATOM 113 OG SER A 11 -7.349 4.440 8.534 1.00 0.00 O ATOM 0 H SER A 11 -4.955 2.277 7.805 1.00 0.00 H new ATOM 0 HA SER A 11 -5.047 4.527 6.085 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.808 5.821 7.103 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.492 4.332 6.481 1.00 0.00 H new ATOM 0 HG SER A 11 -8.248 4.819 8.620 1.00 0.00 H new ATOM 119 N GLY A 12 -3.828 5.782 7.877 1.00 0.00 N ATOM 120 CA GLY A 12 -2.909 6.367 8.838 1.00 0.00 C ATOM 121 C GLY A 12 -1.915 7.303 8.148 1.00 0.00 C ATOM 122 O GLY A 12 -1.615 7.133 6.967 1.00 0.00 O ATOM 0 H GLY A 12 -3.909 6.294 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.469 6.919 9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.368 5.576 9.357 1.00 0.00 H new ATOM 126 N TYR A 13 -1.430 8.269 8.913 1.00 0.00 N ATOM 127 CA TYR A 13 -0.476 9.232 8.390 1.00 0.00 C ATOM 128 C TYR A 13 0.806 8.536 7.927 1.00 0.00 C ATOM 129 O TYR A 13 1.404 7.766 8.676 1.00 0.00 O ATOM 130 CB TYR A 13 -0.142 10.170 9.552 1.00 0.00 C ATOM 131 CG TYR A 13 -1.264 11.148 9.904 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.597 12.161 9.027 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.944 11.019 11.098 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.653 13.082 9.358 1.00 0.00 C ATOM 135 CE2 TYR A 13 -3.000 11.940 11.429 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.302 12.926 10.542 1.00 0.00 C ATOM 137 OH TYR A 13 -4.300 13.796 10.855 1.00 0.00 O ATOM 0 H TYR A 13 -1.680 8.406 9.892 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.895 9.761 7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.094 9.572 10.432 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.755 10.737 9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.065 12.263 8.092 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.684 10.227 11.784 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.923 13.879 8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.540 11.850 12.360 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.675 13.563 11.730 1.00 0.00 H new ATOM 147 N LEU A 14 1.190 8.833 6.694 1.00 0.00 N ATOM 148 CA LEU A 14 2.390 8.247 6.122 1.00 0.00 C ATOM 149 C LEU A 14 3.255 9.354 5.516 1.00 0.00 C ATOM 150 O LEU A 14 2.744 10.402 5.126 1.00 0.00 O ATOM 151 CB LEU A 14 2.025 7.140 5.131 1.00 0.00 C ATOM 152 CG LEU A 14 1.141 6.016 5.676 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.296 5.395 4.562 1.00 0.00 C ATOM 154 CD2 LEU A 14 1.978 4.968 6.413 1.00 0.00 C ATOM 0 H LEU A 14 0.691 9.472 6.075 1.00 0.00 H new ATOM 0 HA LEU A 14 2.986 7.766 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.517 7.594 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.948 6.699 4.753 1.00 0.00 H new ATOM 0 HG LEU A 14 0.451 6.445 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.323 4.599 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.343 6.160 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.952 4.983 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.325 4.181 6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.708 4.537 5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.498 5.439 7.247 1.00 0.00 H new ATOM 166 N TYR A 15 4.551 9.083 5.458 1.00 0.00 N ATOM 167 CA TYR A 15 5.492 10.043 4.907 1.00 0.00 C ATOM 168 C TYR A 15 5.794 9.734 3.439 1.00 0.00 C ATOM 169 O TYR A 15 6.450 8.739 3.133 1.00 0.00 O ATOM 170 CB TYR A 15 6.777 9.890 5.723 1.00 0.00 C ATOM 171 CG TYR A 15 6.626 10.269 7.197 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.176 11.527 7.545 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.939 9.352 8.181 1.00 0.00 C ATOM 174 CE1 TYR A 15 6.034 11.883 8.933 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.797 9.709 9.569 1.00 0.00 C ATOM 176 CZ TYR A 15 6.351 10.956 9.876 1.00 0.00 C ATOM 177 OH TYR A 15 6.217 11.293 11.187 1.00 0.00 O ATOM 0 H TYR A 15 4.971 8.212 5.784 1.00 0.00 H new ATOM 0 HA TYR A 15 5.084 11.052 4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.116 8.856 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.555 10.510 5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.930 12.244 6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.290 8.367 7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.684 12.864 9.219 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.039 9.002 10.349 1.00 0.00 H new ATOM 0 HH TYR A 15 6.478 10.533 11.748 1.00 0.00 H new ATOM 187 N ARG A 16 5.302 10.604 2.570 1.00 0.00 N ATOM 188 CA ARG A 16 5.511 10.437 1.142 1.00 0.00 C ATOM 189 C ARG A 16 6.785 11.163 0.704 1.00 0.00 C ATOM 190 O ARG A 16 7.024 12.301 1.104 1.00 0.00 O ATOM 191 CB ARG A 16 4.323 10.978 0.344 1.00 0.00 C ATOM 192 CG ARG A 16 4.587 10.887 -1.160 1.00 0.00 C ATOM 193 CD ARG A 16 3.274 10.818 -1.943 1.00 0.00 C ATOM 194 NE ARG A 16 3.088 12.057 -2.731 1.00 0.00 N ATOM 195 CZ ARG A 16 1.936 12.410 -3.316 1.00 0.00 C ATOM 196 NH1 ARG A 16 0.859 11.620 -3.207 1.00 0.00 N ATOM 197 NH2 ARG A 16 1.860 13.554 -4.011 1.00 0.00 N ATOM 0 H ARG A 16 4.759 11.428 2.828 1.00 0.00 H new ATOM 0 HA ARG A 16 5.610 9.370 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.425 10.413 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.135 12.015 0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.163 11.753 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.190 10.004 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.282 9.953 -2.606 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.438 10.685 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 16 3.888 12.682 -2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.916 10.750 -2.678 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.018 11.889 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.680 14.156 -4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.983 13.823 -4.457 1.00 0.00 H new ATOM 211 N SER A 17 7.569 10.474 -0.113 1.00 0.00 N ATOM 212 CA SER A 17 8.811 11.039 -0.611 1.00 0.00 C ATOM 213 C SER A 17 9.037 10.610 -2.062 1.00 0.00 C ATOM 214 O SER A 17 8.496 9.599 -2.506 1.00 0.00 O ATOM 215 CB SER A 17 9.996 10.614 0.259 1.00 0.00 C ATOM 216 OG SER A 17 10.987 9.917 -0.492 1.00 0.00 O ATOM 0 H SER A 17 7.368 9.530 -0.442 1.00 0.00 H new ATOM 0 HA SER A 17 8.734 12.125 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.443 11.496 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.641 9.977 1.069 1.00 0.00 H new ATOM 0 HG SER A 17 11.872 10.284 -0.285 1.00 0.00 H new ATOM 222 N LYS A 18 9.838 11.401 -2.761 1.00 0.00 N ATOM 223 CA LYS A 18 10.142 11.116 -4.153 1.00 0.00 C ATOM 224 C LYS A 18 11.464 10.351 -4.235 1.00 0.00 C ATOM 225 O LYS A 18 12.088 10.294 -5.294 1.00 0.00 O ATOM 226 CB LYS A 18 10.124 12.403 -4.980 1.00 0.00 C ATOM 227 CG LYS A 18 8.803 12.550 -5.738 1.00 0.00 C ATOM 228 CD LYS A 18 9.024 12.454 -7.249 1.00 0.00 C ATOM 229 CE LYS A 18 8.301 13.586 -7.982 1.00 0.00 C ATOM 230 NZ LYS A 18 8.297 13.339 -9.441 1.00 0.00 N ATOM 0 H LYS A 18 10.286 12.239 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 18 9.375 10.475 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.269 13.262 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.954 12.397 -5.687 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.108 11.773 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.344 13.508 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.091 12.498 -7.468 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.663 11.492 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.277 13.667 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.791 14.536 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.803 14.116 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.276 13.284 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.809 12.442 -9.640 1.00 0.00 H new ATOM 244 N GLY A 19 11.853 9.781 -3.104 1.00 0.00 N ATOM 245 CA GLY A 19 13.089 9.021 -3.035 1.00 0.00 C ATOM 246 C GLY A 19 13.910 9.421 -1.807 1.00 0.00 C ATOM 247 O GLY A 19 13.399 10.077 -0.901 1.00 0.00 O ATOM 0 H GLY A 19 11.333 9.830 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.863 7.955 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.674 9.189 -3.939 1.00 0.00 H new ATOM 251 N SER A 20 15.169 9.007 -1.816 1.00 0.00 N ATOM 252 CA SER A 20 16.065 9.314 -0.714 1.00 0.00 C ATOM 253 C SER A 20 16.581 10.748 -0.842 1.00 0.00 C ATOM 254 O SER A 20 16.362 11.402 -1.861 1.00 0.00 O ATOM 255 CB SER A 20 17.236 8.331 -0.667 1.00 0.00 C ATOM 256 OG SER A 20 16.835 7.043 -0.207 1.00 0.00 O ATOM 0 H SER A 20 15.589 8.462 -2.569 1.00 0.00 H new ATOM 0 HA SER A 20 15.507 9.218 0.217 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.673 8.241 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.013 8.724 -0.011 1.00 0.00 H new ATOM 0 HG SER A 20 17.611 6.445 -0.193 1.00 0.00 H new ATOM 262 N LYS A 21 17.256 11.196 0.206 1.00 0.00 N ATOM 263 CA LYS A 21 17.804 12.542 0.224 1.00 0.00 C ATOM 264 C LYS A 21 16.701 13.543 -0.125 1.00 0.00 C ATOM 265 O LYS A 21 16.982 14.643 -0.596 1.00 0.00 O ATOM 266 CB LYS A 21 19.028 12.633 -0.690 1.00 0.00 C ATOM 267 CG LYS A 21 19.890 11.373 -0.581 1.00 0.00 C ATOM 268 CD LYS A 21 21.378 11.727 -0.566 1.00 0.00 C ATOM 269 CE LYS A 21 21.750 12.587 -1.775 1.00 0.00 C ATOM 270 NZ LYS A 21 22.547 11.803 -2.744 1.00 0.00 N ATOM 0 H LYS A 21 17.436 10.651 1.049 1.00 0.00 H new ATOM 0 HA LYS A 21 18.160 12.795 1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.706 12.769 -1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.621 13.508 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.633 10.829 0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.679 10.710 -1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.619 12.262 0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.973 10.814 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.845 12.959 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.318 13.458 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.791 12.402 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.419 11.469 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 21.992 10.986 -3.069 1.00 0.00 H new ATOM 284 N LYS A 22 15.468 13.124 0.121 1.00 0.00 N ATOM 285 CA LYS A 22 14.321 13.970 -0.160 1.00 0.00 C ATOM 286 C LYS A 22 13.540 14.211 1.133 1.00 0.00 C ATOM 287 O LYS A 22 13.622 13.417 2.069 1.00 0.00 O ATOM 288 CB LYS A 22 13.475 13.370 -1.286 1.00 0.00 C ATOM 289 CG LYS A 22 14.005 13.796 -2.656 1.00 0.00 C ATOM 290 CD LYS A 22 13.431 15.153 -3.068 1.00 0.00 C ATOM 291 CE LYS A 22 11.963 15.026 -3.480 1.00 0.00 C ATOM 292 NZ LYS A 22 11.359 16.364 -3.668 1.00 0.00 N ATOM 0 H LYS A 22 15.239 12.210 0.512 1.00 0.00 H new ATOM 0 HA LYS A 22 14.648 14.945 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.482 12.283 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.439 13.690 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.093 13.851 -2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.743 13.045 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.520 15.856 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.011 15.561 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.887 14.453 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.412 14.476 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.363 16.259 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.414 16.898 -2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.875 16.876 -4.412 1.00 0.00 H new ATOM 306 N PRO A 23 12.781 15.340 1.145 1.00 0.00 N ATOM 307 CA PRO A 23 11.987 15.695 2.309 1.00 0.00 C ATOM 308 C PRO A 23 10.740 14.815 2.411 1.00 0.00 C ATOM 309 O PRO A 23 10.082 14.544 1.407 1.00 0.00 O ATOM 310 CB PRO A 23 11.660 17.169 2.127 1.00 0.00 C ATOM 311 CG PRO A 23 11.885 17.466 0.653 1.00 0.00 C ATOM 312 CD PRO A 23 12.660 16.304 0.055 1.00 0.00 C ATOM 0 HA PRO A 23 12.518 15.531 3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.630 17.379 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.299 17.791 2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.932 17.593 0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.439 18.397 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.134 15.874 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.639 16.623 -0.302 1.00 0.00 H new ATOM 320 N TRP A 24 10.452 14.392 3.633 1.00 0.00 N ATOM 321 CA TRP A 24 9.296 13.547 3.880 1.00 0.00 C ATOM 322 C TRP A 24 8.057 14.443 3.924 1.00 0.00 C ATOM 323 O TRP A 24 8.080 15.511 4.533 1.00 0.00 O ATOM 324 CB TRP A 24 9.482 12.721 5.154 1.00 0.00 C ATOM 325 CG TRP A 24 10.562 11.643 5.045 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.791 11.649 5.578 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.458 10.391 4.334 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.485 10.498 5.264 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.648 9.709 4.484 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.394 9.853 3.589 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.888 8.451 3.917 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.649 8.596 3.029 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.841 7.896 3.170 1.00 0.00 C ATOM 0 H TRP A 24 10.999 14.619 4.463 1.00 0.00 H new ATOM 0 HA TRP A 24 9.172 12.819 3.078 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.734 13.391 5.976 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.534 12.247 5.409 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.189 12.454 6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.436 10.269 5.551 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.454 10.369 3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.829 7.937 4.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.864 8.138 2.446 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.960 6.928 2.706 1.00 0.00 H new ATOM 344 N LYS A 25 7.004 13.975 3.269 1.00 0.00 N ATOM 345 CA LYS A 25 5.757 14.721 3.226 1.00 0.00 C ATOM 346 C LYS A 25 4.713 14.011 4.089 1.00 0.00 C ATOM 347 O LYS A 25 4.307 12.890 3.784 1.00 0.00 O ATOM 348 CB LYS A 25 5.313 14.939 1.778 1.00 0.00 C ATOM 349 CG LYS A 25 6.049 16.125 1.152 1.00 0.00 C ATOM 350 CD LYS A 25 7.372 15.682 0.526 1.00 0.00 C ATOM 351 CE LYS A 25 7.895 16.734 -0.454 1.00 0.00 C ATOM 352 NZ LYS A 25 7.201 16.621 -1.756 1.00 0.00 N ATOM 0 H LYS A 25 6.989 13.089 2.764 1.00 0.00 H new ATOM 0 HA LYS A 25 5.894 15.717 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.506 14.038 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.238 15.116 1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.420 16.587 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.238 16.882 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.110 15.511 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.233 14.734 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.744 17.731 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.968 16.606 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.580 17.331 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.352 15.670 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.182 16.783 -1.622 1.00 0.00 H new ATOM 366 N HIS A 26 4.307 14.692 5.151 1.00 0.00 N ATOM 367 CA HIS A 26 3.318 14.140 6.061 1.00 0.00 C ATOM 368 C HIS A 26 1.920 14.311 5.464 1.00 0.00 C ATOM 369 O HIS A 26 1.385 15.419 5.433 1.00 0.00 O ATOM 370 CB HIS A 26 3.449 14.765 7.451 1.00 0.00 C ATOM 371 CG HIS A 26 2.260 14.521 8.349 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.660 15.526 9.087 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.567 13.378 8.619 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.652 15.000 9.768 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.596 13.669 9.477 1.00 0.00 N ATOM 0 H HIS A 26 4.645 15.621 5.401 1.00 0.00 H new ATOM 0 HA HIS A 26 3.493 13.072 6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.343 14.369 7.933 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.595 15.840 7.343 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.773 12.402 8.205 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.009 15.532 10.436 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.080 13.006 9.856 1.00 0.00 H new ATOM 383 N LEU A 27 1.367 13.198 5.004 1.00 0.00 N ATOM 384 CA LEU A 27 0.041 13.211 4.409 1.00 0.00 C ATOM 385 C LEU A 27 -0.748 11.999 4.907 1.00 0.00 C ATOM 386 O LEU A 27 -0.178 11.082 5.496 1.00 0.00 O ATOM 387 CB LEU A 27 0.139 13.298 2.885 1.00 0.00 C ATOM 388 CG LEU A 27 0.541 14.659 2.314 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.596 14.504 1.218 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.686 15.432 1.825 1.00 0.00 C ATOM 0 H LEU A 27 1.813 12.281 5.031 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.508 14.099 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.861 12.556 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.827 13.020 2.463 1.00 0.00 H new ATOM 0 HG LEU A 27 0.993 15.245 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.864 15.486 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.483 14.023 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.195 13.892 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.373 16.396 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.189 14.860 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.371 15.591 2.657 1.00 0.00 H new ATOM 402 N TRP A 28 -2.048 12.034 4.653 1.00 0.00 N ATOM 403 CA TRP A 28 -2.922 10.950 5.068 1.00 0.00 C ATOM 404 C TRP A 28 -3.287 10.135 3.826 1.00 0.00 C ATOM 405 O TRP A 28 -3.478 10.694 2.747 1.00 0.00 O ATOM 406 CB TRP A 28 -4.146 11.487 5.813 1.00 0.00 C ATOM 407 CG TRP A 28 -5.096 10.397 6.314 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.137 9.851 5.670 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.051 9.740 7.598 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.763 8.894 6.442 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.082 8.824 7.652 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.168 9.914 8.678 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.327 8.011 8.765 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.427 9.094 9.783 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.460 8.167 9.853 1.00 0.00 C ATOM 0 H TRP A 28 -2.517 12.797 4.165 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.415 10.295 5.777 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.810 12.081 6.663 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.695 12.158 5.153 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.447 10.126 4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.576 8.340 6.174 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.354 10.624 8.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.141 7.302 8.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.778 9.189 10.641 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.593 7.570 10.743 1.00 0.00 H new ATOM 426 N PHE A 29 -3.375 8.828 4.020 1.00 0.00 N ATOM 427 CA PHE A 29 -3.714 7.931 2.928 1.00 0.00 C ATOM 428 C PHE A 29 -4.696 6.852 3.391 1.00 0.00 C ATOM 429 O PHE A 29 -4.677 6.446 4.552 1.00 0.00 O ATOM 430 CB PHE A 29 -2.414 7.261 2.478 1.00 0.00 C ATOM 431 CG PHE A 29 -1.378 8.233 1.909 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.462 8.632 0.612 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.375 8.698 2.700 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.501 9.534 0.083 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.586 9.600 2.172 1.00 0.00 C ATOM 436 CZ PHE A 29 0.503 9.999 0.875 1.00 0.00 C ATOM 0 H PHE A 29 -3.218 8.368 4.917 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.184 8.491 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.976 6.735 3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.647 6.511 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.259 8.263 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.309 8.381 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.567 9.851 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.383 9.969 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.234 10.685 0.473 1.00 0.00 H new ATOM 446 N VAL A 30 -5.530 6.417 2.458 1.00 0.00 N ATOM 447 CA VAL A 30 -6.517 5.393 2.755 1.00 0.00 C ATOM 448 C VAL A 30 -6.598 4.413 1.583 1.00 0.00 C ATOM 449 O VAL A 30 -6.269 4.765 0.451 1.00 0.00 O ATOM 450 CB VAL A 30 -7.863 6.043 3.084 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.010 5.045 2.915 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.855 6.637 4.494 1.00 0.00 C ATOM 0 H VAL A 30 -5.543 6.755 1.496 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.222 4.823 3.636 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.023 6.858 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.955 5.533 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.036 4.691 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.858 4.199 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.823 7.093 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.662 5.848 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.075 7.395 4.565 1.00 0.00 H new ATOM 462 N ILE A 31 -7.037 3.202 1.895 1.00 0.00 N ATOM 463 CA ILE A 31 -7.164 2.169 0.882 1.00 0.00 C ATOM 464 C ILE A 31 -8.644 1.840 0.678 1.00 0.00 C ATOM 465 O ILE A 31 -9.203 1.008 1.392 1.00 0.00 O ATOM 466 CB ILE A 31 -6.308 0.954 1.245 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.818 1.298 1.197 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.650 -0.243 0.355 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.962 0.073 1.522 1.00 0.00 C ATOM 0 H ILE A 31 -7.309 2.914 2.835 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.781 2.525 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.538 0.668 2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.560 1.674 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.602 2.096 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.027 -1.093 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.700 -0.504 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.466 0.015 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.907 0.345 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.206 -0.286 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.162 -0.714 0.795 1.00 0.00 H new ATOM 481 N LYS A 32 -9.238 2.509 -0.299 1.00 0.00 N ATOM 482 CA LYS A 32 -10.642 2.298 -0.606 1.00 0.00 C ATOM 483 C LYS A 32 -10.782 1.867 -2.067 1.00 0.00 C ATOM 484 O LYS A 32 -10.201 2.484 -2.958 1.00 0.00 O ATOM 485 CB LYS A 32 -11.460 3.541 -0.251 1.00 0.00 C ATOM 486 CG LYS A 32 -12.843 3.493 -0.904 1.00 0.00 C ATOM 487 CD LYS A 32 -13.778 4.534 -0.286 1.00 0.00 C ATOM 488 CE LYS A 32 -13.653 5.879 -1.005 1.00 0.00 C ATOM 489 NZ LYS A 32 -14.079 6.983 -0.116 1.00 0.00 N ATOM 0 H LYS A 32 -8.772 3.198 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.048 1.491 0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.567 3.613 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.930 4.435 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.750 3.673 -1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.271 2.498 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.808 4.182 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.541 4.659 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.621 6.035 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.265 5.874 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.988 7.889 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.070 6.840 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.478 6.997 0.733 1.00 0.00 H new ATOM 503 N ASN A 33 -11.556 0.811 -2.267 1.00 0.00 N ATOM 504 CA ASN A 33 -11.780 0.289 -3.605 1.00 0.00 C ATOM 505 C ASN A 33 -10.431 0.007 -4.270 1.00 0.00 C ATOM 506 O ASN A 33 -10.261 0.247 -5.464 1.00 0.00 O ATOM 507 CB ASN A 33 -12.531 1.301 -4.472 1.00 0.00 C ATOM 508 CG ASN A 33 -12.878 0.704 -5.837 1.00 0.00 C ATOM 509 OD1 ASN A 33 -12.745 -0.485 -6.075 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.328 1.593 -6.718 1.00 0.00 N ATOM 0 H ASN A 33 -12.036 0.302 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.373 -0.621 -3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.444 1.613 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.920 2.194 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.586 1.294 -7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.415 2.574 -6.453 1.00 0.00 H new ATOM 517 N LYS A 34 -9.505 -0.497 -3.467 1.00 0.00 N ATOM 518 CA LYS A 34 -8.177 -0.814 -3.962 1.00 0.00 C ATOM 519 C LYS A 34 -7.551 0.442 -4.571 1.00 0.00 C ATOM 520 O LYS A 34 -6.678 0.350 -5.433 1.00 0.00 O ATOM 521 CB LYS A 34 -8.234 -2.002 -4.926 1.00 0.00 C ATOM 522 CG LYS A 34 -7.767 -3.287 -4.239 1.00 0.00 C ATOM 523 CD LYS A 34 -8.837 -4.377 -4.331 1.00 0.00 C ATOM 524 CE LYS A 34 -8.245 -5.754 -4.026 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.779 -6.277 -2.749 1.00 0.00 N ATOM 0 H LYS A 34 -9.649 -0.694 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.530 -1.128 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.253 -2.130 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.607 -1.801 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.845 -3.637 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.540 -3.083 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.643 -4.160 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.275 -4.378 -5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.481 -6.445 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.159 -5.685 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.367 -7.212 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.533 -5.625 -1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.814 -6.361 -2.814 1.00 0.00 H new ATOM 539 N VAL A 35 -8.021 1.587 -4.099 1.00 0.00 N ATOM 540 CA VAL A 35 -7.518 2.860 -4.586 1.00 0.00 C ATOM 541 C VAL A 35 -6.838 3.608 -3.437 1.00 0.00 C ATOM 542 O VAL A 35 -7.403 3.734 -2.352 1.00 0.00 O ATOM 543 CB VAL A 35 -8.653 3.659 -5.230 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.143 4.996 -5.773 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.341 2.847 -6.329 1.00 0.00 C ATOM 0 H VAL A 35 -8.745 1.660 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.768 2.703 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.393 3.871 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.969 5.544 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.722 5.583 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.374 4.814 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.144 3.438 -6.770 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.615 2.589 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.756 1.934 -5.901 1.00 0.00 H new ATOM 555 N LEU A 36 -5.633 4.085 -3.716 1.00 0.00 N ATOM 556 CA LEU A 36 -4.870 4.817 -2.719 1.00 0.00 C ATOM 557 C LEU A 36 -5.217 6.304 -2.808 1.00 0.00 C ATOM 558 O LEU A 36 -4.620 7.039 -3.593 1.00 0.00 O ATOM 559 CB LEU A 36 -3.375 4.524 -2.869 1.00 0.00 C ATOM 560 CG LEU A 36 -2.460 5.154 -1.816 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.422 6.676 -1.964 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.870 4.725 -0.406 1.00 0.00 C ATOM 0 H LEU A 36 -5.167 3.979 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.138 4.487 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.232 3.444 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.054 4.867 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.446 4.789 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.765 7.099 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.047 6.936 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.427 7.079 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.204 5.187 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.895 5.042 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.804 3.640 -0.322 1.00 0.00 H new ATOM 574 N TYR A 37 -6.181 6.703 -1.992 1.00 0.00 N ATOM 575 CA TYR A 37 -6.615 8.090 -1.968 1.00 0.00 C ATOM 576 C TYR A 37 -5.646 8.954 -1.159 1.00 0.00 C ATOM 577 O TYR A 37 -5.016 8.472 -0.218 1.00 0.00 O ATOM 578 CB TYR A 37 -7.981 8.093 -1.278 1.00 0.00 C ATOM 579 CG TYR A 37 -9.132 7.633 -2.175 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.655 8.491 -3.121 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.647 6.360 -2.038 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.739 8.058 -3.965 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.730 5.927 -2.882 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.223 6.797 -3.804 1.00 0.00 C ATOM 585 OH TYR A 37 -12.246 6.388 -4.601 1.00 0.00 O ATOM 0 H TYR A 37 -6.674 6.090 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.656 8.496 -2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.936 7.446 -0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.193 9.100 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.252 9.487 -3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.238 5.689 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.158 8.720 -4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.142 4.933 -2.785 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.488 5.466 -4.375 1.00 0.00 H new ATOM 595 N THR A 38 -5.557 10.216 -1.553 1.00 0.00 N ATOM 596 CA THR A 38 -4.676 11.151 -0.876 1.00 0.00 C ATOM 597 C THR A 38 -5.473 12.030 0.090 1.00 0.00 C ATOM 598 O THR A 38 -6.600 12.423 -0.207 1.00 0.00 O ATOM 599 CB THR A 38 -3.923 11.949 -1.943 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.999 11.012 -2.489 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.036 13.040 -1.341 1.00 0.00 C ATOM 0 H THR A 38 -6.081 10.612 -2.333 1.00 0.00 H new ATOM 0 HA THR A 38 -3.942 10.629 -0.262 1.00 0.00 H new ATOM 0 HB THR A 38 -4.638 12.401 -2.630 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.470 11.445 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.525 13.576 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.652 13.737 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.298 12.585 -0.680 1.00 0.00 H new ATOM 609 N TYR A 39 -4.855 12.314 1.228 1.00 0.00 N ATOM 610 CA TYR A 39 -5.492 13.139 2.240 1.00 0.00 C ATOM 611 C TYR A 39 -4.459 13.979 2.993 1.00 0.00 C ATOM 612 O TYR A 39 -3.260 13.866 2.742 1.00 0.00 O ATOM 613 CB TYR A 39 -6.155 12.169 3.220 1.00 0.00 C ATOM 614 CG TYR A 39 -7.440 11.529 2.689 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.605 12.266 2.633 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.433 10.216 2.267 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.814 11.665 2.133 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.642 9.614 1.767 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.773 10.368 1.725 1.00 0.00 C ATOM 620 OH TYR A 39 -10.915 9.799 1.253 1.00 0.00 O ATOM 0 H TYR A 39 -3.920 11.987 1.471 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.206 13.824 1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.445 11.381 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.381 12.700 4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.610 13.294 2.964 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.521 9.639 2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.732 12.231 2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.650 8.587 1.433 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.736 8.870 0.997 1.00 0.00 H new ATOM 630 N ALA A 40 -4.961 14.803 3.901 1.00 0.00 N ATOM 631 CA ALA A 40 -4.096 15.662 4.692 1.00 0.00 C ATOM 632 C ALA A 40 -4.407 15.462 6.177 1.00 0.00 C ATOM 633 O ALA A 40 -3.496 15.334 6.994 1.00 0.00 O ATOM 634 CB ALA A 40 -4.276 17.115 4.250 1.00 0.00 C ATOM 0 H ALA A 40 -5.956 14.894 4.107 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.049 15.401 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.627 17.759 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.015 17.210 3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.314 17.413 4.395 1.00 0.00 H new ATOM 640 N ALA A 41 -5.696 15.440 6.482 1.00 0.00 N ATOM 641 CA ALA A 41 -6.138 15.258 7.854 1.00 0.00 C ATOM 642 C ALA A 41 -6.760 13.868 8.004 1.00 0.00 C ATOM 643 O ALA A 41 -7.310 13.323 7.048 1.00 0.00 O ATOM 644 CB ALA A 41 -7.112 16.376 8.230 1.00 0.00 C ATOM 0 H ALA A 41 -6.449 15.545 5.802 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.293 15.318 8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.443 16.239 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.613 17.340 8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.975 16.346 7.564 1.00 0.00 H new ATOM 650 N SER A 42 -6.652 13.334 9.212 1.00 0.00 N ATOM 651 CA SER A 42 -7.197 12.018 9.500 1.00 0.00 C ATOM 652 C SER A 42 -8.587 11.880 8.877 1.00 0.00 C ATOM 653 O SER A 42 -8.809 11.013 8.032 1.00 0.00 O ATOM 654 CB SER A 42 -7.264 11.768 11.008 1.00 0.00 C ATOM 655 OG SER A 42 -7.340 10.378 11.315 1.00 0.00 O ATOM 0 H SER A 42 -6.195 13.789 10.002 1.00 0.00 H new ATOM 0 HA SER A 42 -6.535 11.270 9.064 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.384 12.198 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.133 12.279 11.422 1.00 0.00 H new ATOM 0 HG SER A 42 -6.673 9.890 10.789 1.00 0.00 H new ATOM 661 N GLU A 43 -9.487 12.747 9.317 1.00 0.00 N ATOM 662 CA GLU A 43 -10.850 12.732 8.813 1.00 0.00 C ATOM 663 C GLU A 43 -11.108 13.966 7.946 1.00 0.00 C ATOM 664 O GLU A 43 -12.067 14.701 8.176 1.00 0.00 O ATOM 665 CB GLU A 43 -11.858 12.647 9.961 1.00 0.00 C ATOM 666 CG GLU A 43 -11.953 11.220 10.502 1.00 0.00 C ATOM 667 CD GLU A 43 -13.392 10.703 10.438 1.00 0.00 C ATOM 668 OE1 GLU A 43 -14.241 11.302 11.132 1.00 0.00 O ATOM 669 OE2 GLU A 43 -13.610 9.722 9.695 1.00 0.00 O ATOM 0 H GLU A 43 -9.299 13.465 10.017 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.979 11.844 8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.561 13.324 10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.838 12.974 9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.301 10.564 9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.599 11.194 11.533 1.00 0.00 H new ATOM 676 N ASP A 44 -10.236 14.155 6.967 1.00 0.00 N ATOM 677 CA ASP A 44 -10.358 15.287 6.064 1.00 0.00 C ATOM 678 C ASP A 44 -11.758 15.295 5.449 1.00 0.00 C ATOM 679 O ASP A 44 -12.339 14.238 5.205 1.00 0.00 O ATOM 680 CB ASP A 44 -9.341 15.195 4.925 1.00 0.00 C ATOM 681 CG ASP A 44 -8.899 16.539 4.342 1.00 0.00 C ATOM 682 OD1 ASP A 44 -9.733 17.157 3.645 1.00 0.00 O ATOM 683 OD2 ASP A 44 -7.738 16.919 4.607 1.00 0.00 O ATOM 0 H ASP A 44 -9.442 13.543 6.779 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.176 16.196 6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.460 14.666 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.769 14.592 4.124 1.00 0.00 H new ATOM 688 N VAL A 45 -12.261 16.498 5.215 1.00 0.00 N ATOM 689 CA VAL A 45 -13.582 16.657 4.632 1.00 0.00 C ATOM 690 C VAL A 45 -13.660 15.858 3.330 1.00 0.00 C ATOM 691 O VAL A 45 -14.708 15.305 2.998 1.00 0.00 O ATOM 692 CB VAL A 45 -13.895 18.142 4.441 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.445 18.757 5.730 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.661 18.904 3.954 1.00 0.00 C ATOM 0 H VAL A 45 -11.777 17.372 5.419 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.345 16.261 5.303 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.665 18.226 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.659 19.813 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.361 18.241 6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.707 18.655 6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.911 19.957 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.861 18.807 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.331 18.491 3.001 1.00 0.00 H new ATOM 704 N ALA A 46 -12.538 15.822 2.627 1.00 0.00 N ATOM 705 CA ALA A 46 -12.466 15.099 1.368 1.00 0.00 C ATOM 706 C ALA A 46 -11.012 14.712 1.090 1.00 0.00 C ATOM 707 O ALA A 46 -10.114 15.071 1.850 1.00 0.00 O ATOM 708 CB ALA A 46 -13.064 15.958 0.252 1.00 0.00 C ATOM 0 H ALA A 46 -11.671 16.282 2.905 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.048 14.179 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.010 15.416 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.105 16.182 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.503 16.889 0.169 1.00 0.00 H new ATOM 714 N ALA A 47 -10.826 13.984 -0.001 1.00 0.00 N ATOM 715 CA ALA A 47 -9.496 13.543 -0.389 1.00 0.00 C ATOM 716 C ALA A 47 -8.862 14.594 -1.302 1.00 0.00 C ATOM 717 O ALA A 47 -9.554 15.238 -2.089 1.00 0.00 O ATOM 718 CB ALA A 47 -9.588 12.170 -1.057 1.00 0.00 C ATOM 0 H ALA A 47 -11.574 13.688 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.856 13.437 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.591 11.839 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.018 11.453 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.220 12.238 -1.942 1.00 0.00 H new ATOM 724 N LEU A 48 -7.551 14.736 -1.166 1.00 0.00 N ATOM 725 CA LEU A 48 -6.816 15.698 -1.969 1.00 0.00 C ATOM 726 C LEU A 48 -6.677 15.165 -3.396 1.00 0.00 C ATOM 727 O LEU A 48 -6.789 15.922 -4.359 1.00 0.00 O ATOM 728 CB LEU A 48 -5.479 16.038 -1.307 1.00 0.00 C ATOM 729 CG LEU A 48 -5.549 16.486 0.154 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.149 16.591 0.763 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.333 17.793 0.290 1.00 0.00 C ATOM 0 H LEU A 48 -6.980 14.201 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.363 16.639 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.833 15.162 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.000 16.828 -1.886 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.090 15.726 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.227 16.911 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.659 15.618 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.562 17.318 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.368 18.089 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.843 18.574 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.348 17.649 -0.080 1.00 0.00 H new ATOM 743 N GLU A 49 -6.436 13.865 -3.487 1.00 0.00 N ATOM 744 CA GLU A 49 -6.281 13.222 -4.781 1.00 0.00 C ATOM 745 C GLU A 49 -6.721 11.759 -4.702 1.00 0.00 C ATOM 746 O GLU A 49 -7.020 11.254 -3.621 1.00 0.00 O ATOM 747 CB GLU A 49 -4.839 13.334 -5.280 1.00 0.00 C ATOM 748 CG GLU A 49 -4.608 14.668 -5.993 1.00 0.00 C ATOM 749 CD GLU A 49 -5.576 14.837 -7.166 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.320 14.199 -8.210 1.00 0.00 O ATOM 751 OE2 GLU A 49 -6.551 15.600 -6.992 1.00 0.00 O ATOM 0 H GLU A 49 -6.344 13.240 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.920 13.736 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.151 13.243 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.621 12.511 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.739 15.489 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.581 14.718 -6.354 1.00 0.00 H new ATOM 758 N SER A 50 -6.747 11.118 -5.862 1.00 0.00 N ATOM 759 CA SER A 50 -7.146 9.723 -5.938 1.00 0.00 C ATOM 760 C SER A 50 -6.266 8.981 -6.945 1.00 0.00 C ATOM 761 O SER A 50 -6.062 9.453 -8.063 1.00 0.00 O ATOM 762 CB SER A 50 -8.621 9.592 -6.323 1.00 0.00 C ATOM 763 OG SER A 50 -9.069 10.698 -7.102 1.00 0.00 O ATOM 0 H SER A 50 -6.498 11.540 -6.757 1.00 0.00 H new ATOM 0 HA SER A 50 -7.015 9.276 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.769 8.669 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.226 9.516 -5.420 1.00 0.00 H new ATOM 0 HG SER A 50 -10.015 10.576 -7.329 1.00 0.00 H new ATOM 769 N GLN A 51 -5.767 7.832 -6.514 1.00 0.00 N ATOM 770 CA GLN A 51 -4.913 7.021 -7.365 1.00 0.00 C ATOM 771 C GLN A 51 -5.184 5.534 -7.124 1.00 0.00 C ATOM 772 O GLN A 51 -4.946 5.025 -6.030 1.00 0.00 O ATOM 773 CB GLN A 51 -3.437 7.353 -7.137 1.00 0.00 C ATOM 774 CG GLN A 51 -2.597 6.986 -8.362 1.00 0.00 C ATOM 775 CD GLN A 51 -3.046 7.778 -9.591 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.186 7.040 -10.689 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -3.250 8.980 -9.547 1.00 0.00 N flip ATOM 0 H GLN A 51 -5.938 7.443 -5.587 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.146 7.250 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.329 8.416 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.070 6.813 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.545 7.187 -8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.685 5.918 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.124 9.487 -8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.547 9.478 -10.386 1.00 0.00 H new ATOM 786 N PRO A 52 -5.691 4.862 -8.193 1.00 0.00 N ATOM 787 CA PRO A 52 -5.996 3.444 -8.109 1.00 0.00 C ATOM 788 C PRO A 52 -4.717 2.605 -8.144 1.00 0.00 C ATOM 789 O PRO A 52 -3.746 2.974 -8.801 1.00 0.00 O ATOM 790 CB PRO A 52 -6.918 3.170 -9.286 1.00 0.00 C ATOM 791 CG PRO A 52 -6.724 4.332 -10.247 1.00 0.00 C ATOM 792 CD PRO A 52 -5.985 5.432 -9.504 1.00 0.00 C ATOM 0 HA PRO A 52 -6.478 3.172 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.670 2.222 -9.764 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.956 3.101 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.156 4.014 -11.121 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.687 4.695 -10.607 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.071 5.717 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.596 6.330 -9.417 1.00 0.00 H new ATOM 800 N LEU A 53 -4.759 1.491 -7.428 1.00 0.00 N ATOM 801 CA LEU A 53 -3.616 0.596 -7.368 1.00 0.00 C ATOM 802 C LEU A 53 -3.760 -0.480 -8.446 1.00 0.00 C ATOM 803 O LEU A 53 -3.446 -1.646 -8.211 1.00 0.00 O ATOM 804 CB LEU A 53 -3.450 0.032 -5.955 1.00 0.00 C ATOM 805 CG LEU A 53 -3.374 1.063 -4.827 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.880 0.472 -3.510 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.958 1.627 -4.695 1.00 0.00 C ATOM 0 H LEU A 53 -5.567 1.188 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.695 1.140 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.285 -0.638 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.543 -0.572 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.030 1.896 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.815 1.225 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.917 0.158 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.269 -0.389 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.931 2.357 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.263 0.817 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.670 2.109 -5.629 1.00 0.00 H new ATOM 819 N LEU A 54 -4.234 -0.051 -9.607 1.00 0.00 N ATOM 820 CA LEU A 54 -4.423 -0.963 -10.722 1.00 0.00 C ATOM 821 C LEU A 54 -3.135 -1.026 -11.547 1.00 0.00 C ATOM 822 O LEU A 54 -2.796 -0.074 -12.248 1.00 0.00 O ATOM 823 CB LEU A 54 -5.656 -0.566 -11.536 1.00 0.00 C ATOM 824 CG LEU A 54 -6.258 -1.661 -12.419 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.205 -2.245 -13.363 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.929 -2.742 -11.569 1.00 0.00 C ATOM 0 H LEU A 54 -4.493 0.917 -9.799 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.620 -1.972 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.426 -0.219 -10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.391 0.280 -12.170 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.033 -1.212 -13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.659 -3.021 -13.979 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.813 -1.455 -14.004 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.391 -2.675 -12.779 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.349 -3.508 -12.220 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.191 -3.194 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.726 -2.295 -10.974 1.00 0.00 H new ATOM 838 N GLY A 55 -2.455 -2.157 -11.436 1.00 0.00 N ATOM 839 CA GLY A 55 -1.212 -2.357 -12.162 1.00 0.00 C ATOM 840 C GLY A 55 -0.007 -1.965 -11.306 1.00 0.00 C ATOM 841 O GLY A 55 1.092 -2.482 -11.501 1.00 0.00 O ATOM 0 H GLY A 55 -2.741 -2.945 -10.854 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.126 -3.402 -12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.221 -1.764 -13.076 1.00 0.00 H new ATOM 845 N PHE A 56 -0.253 -1.054 -10.376 1.00 0.00 N ATOM 846 CA PHE A 56 0.798 -0.586 -9.490 1.00 0.00 C ATOM 847 C PHE A 56 1.414 -1.748 -8.708 1.00 0.00 C ATOM 848 O PHE A 56 0.989 -2.893 -8.854 1.00 0.00 O ATOM 849 CB PHE A 56 0.152 0.390 -8.505 1.00 0.00 C ATOM 850 CG PHE A 56 -0.063 1.795 -9.071 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.207 2.089 -9.744 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.891 2.750 -8.901 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.407 3.393 -10.270 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.692 4.054 -9.427 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.453 4.348 -10.100 1.00 0.00 C ATOM 0 H PHE A 56 -1.166 -0.627 -10.217 1.00 0.00 H new ATOM 0 HA PHE A 56 1.590 -0.113 -10.071 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.809 -0.014 -8.187 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.778 0.460 -7.615 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.964 1.331 -9.879 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.800 2.516 -8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.316 3.626 -10.805 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.449 4.812 -9.293 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.605 5.340 -10.500 1.00 0.00 H new ATOM 865 N THR A 57 2.404 -1.413 -7.894 1.00 0.00 N ATOM 866 CA THR A 57 3.082 -2.415 -7.089 1.00 0.00 C ATOM 867 C THR A 57 3.698 -1.771 -5.845 1.00 0.00 C ATOM 868 O THR A 57 3.745 -0.547 -5.733 1.00 0.00 O ATOM 869 CB THR A 57 4.107 -3.122 -7.978 1.00 0.00 C ATOM 870 OG1 THR A 57 3.427 -3.301 -9.217 1.00 0.00 O ATOM 871 CG2 THR A 57 4.407 -4.546 -7.508 1.00 0.00 C ATOM 0 H THR A 57 2.753 -0.462 -7.774 1.00 0.00 H new ATOM 0 HA THR A 57 2.382 -3.164 -6.717 1.00 0.00 H new ATOM 0 HB THR A 57 5.031 -2.544 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.572 -3.752 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.140 -5.002 -8.174 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.806 -4.518 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.490 -5.134 -7.521 1.00 0.00 H new ATOM 879 N VAL A 58 4.156 -2.626 -4.941 1.00 0.00 N ATOM 880 CA VAL A 58 4.767 -2.156 -3.709 1.00 0.00 C ATOM 881 C VAL A 58 5.947 -3.062 -3.353 1.00 0.00 C ATOM 882 O VAL A 58 6.029 -4.195 -3.824 1.00 0.00 O ATOM 883 CB VAL A 58 3.716 -2.079 -2.600 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.281 -2.587 -1.273 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.174 -0.655 -2.456 1.00 0.00 C ATOM 0 H VAL A 58 4.116 -3.641 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 58 5.159 -1.147 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 58 2.885 -2.727 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.513 -2.521 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.595 -3.625 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.138 -1.978 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.429 -0.628 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.992 0.022 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.715 -0.344 -3.394 1.00 0.00 H new ATOM 895 N THR A 59 6.832 -2.528 -2.523 1.00 0.00 N ATOM 896 CA THR A 59 8.004 -3.274 -2.098 1.00 0.00 C ATOM 897 C THR A 59 8.742 -2.522 -0.990 1.00 0.00 C ATOM 898 O THR A 59 8.566 -1.315 -0.830 1.00 0.00 O ATOM 899 CB THR A 59 8.868 -3.540 -3.332 1.00 0.00 C ATOM 900 OG1 THR A 59 9.592 -4.723 -3.001 1.00 0.00 O ATOM 901 CG2 THR A 59 9.955 -2.480 -3.525 1.00 0.00 C ATOM 0 H THR A 59 6.760 -1.588 -2.134 1.00 0.00 H new ATOM 0 HA THR A 59 7.726 -4.235 -1.665 1.00 0.00 H new ATOM 0 HB THR A 59 8.234 -3.576 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.177 -4.968 -3.748 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.539 -2.716 -4.414 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.491 -1.501 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.610 -2.467 -2.654 1.00 0.00 H new ATOM 909 N LEU A 60 9.554 -3.266 -0.252 1.00 0.00 N ATOM 910 CA LEU A 60 10.319 -2.684 0.837 1.00 0.00 C ATOM 911 C LEU A 60 11.525 -1.936 0.264 1.00 0.00 C ATOM 912 O LEU A 60 12.126 -2.377 -0.715 1.00 0.00 O ATOM 913 CB LEU A 60 10.691 -3.756 1.863 1.00 0.00 C ATOM 914 CG LEU A 60 11.051 -3.250 3.262 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.269 -2.326 3.214 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.848 -2.578 3.927 1.00 0.00 C ATOM 0 H LEU A 60 9.698 -4.267 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 60 9.717 -1.953 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.855 -4.450 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.536 -4.324 1.475 1.00 0.00 H new ATOM 0 HG LEU A 60 11.322 -4.108 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.504 -1.981 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.122 -2.870 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.050 -1.468 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.130 -2.227 4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.523 -1.732 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.032 -3.296 4.014 1.00 0.00 H new ATOM 928 N VAL A 61 11.843 -0.817 0.898 1.00 0.00 N ATOM 929 CA VAL A 61 12.966 -0.004 0.464 1.00 0.00 C ATOM 930 C VAL A 61 13.983 0.104 1.603 1.00 0.00 C ATOM 931 O VAL A 61 13.613 0.063 2.775 1.00 0.00 O ATOM 932 CB VAL A 61 12.469 1.358 -0.024 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.624 2.049 1.048 1.00 0.00 C ATOM 934 CG2 VAL A 61 13.637 2.245 -0.458 1.00 0.00 C ATOM 0 H VAL A 61 11.342 -0.454 1.709 1.00 0.00 H new ATOM 0 HA VAL A 61 13.472 -0.472 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 61 11.835 1.191 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.283 3.015 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.761 1.428 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.225 2.197 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.256 3.207 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.309 2.401 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.180 1.760 -1.269 1.00 0.00 H new ATOM 944 N LYS A 62 15.243 0.241 1.218 1.00 0.00 N ATOM 945 CA LYS A 62 16.315 0.355 2.192 1.00 0.00 C ATOM 946 C LYS A 62 16.834 1.794 2.206 1.00 0.00 C ATOM 947 O LYS A 62 17.557 2.206 1.301 1.00 0.00 O ATOM 948 CB LYS A 62 17.401 -0.688 1.918 1.00 0.00 C ATOM 949 CG LYS A 62 18.779 -0.163 2.325 1.00 0.00 C ATOM 950 CD LYS A 62 19.762 -1.316 2.542 1.00 0.00 C ATOM 951 CE LYS A 62 21.163 -0.789 2.861 1.00 0.00 C ATOM 952 NZ LYS A 62 22.171 -1.858 2.682 1.00 0.00 N ATOM 0 H LYS A 62 15.546 0.276 0.245 1.00 0.00 H new ATOM 0 HA LYS A 62 15.944 0.140 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.179 -1.603 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.404 -0.946 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 62 19.161 0.505 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.693 0.424 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.413 -1.948 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.799 -1.940 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.398 0.054 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 62 21.194 -0.419 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.116 -1.484 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.954 -2.650 3.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.152 -2.192 1.697 1.00 0.00 H new ATOM 966 N ASP A 63 16.444 2.519 3.244 1.00 0.00 N ATOM 967 CA ASP A 63 16.860 3.904 3.388 1.00 0.00 C ATOM 968 C ASP A 63 17.809 4.025 4.583 1.00 0.00 C ATOM 969 O ASP A 63 17.818 3.164 5.461 1.00 0.00 O ATOM 970 CB ASP A 63 15.660 4.817 3.643 1.00 0.00 C ATOM 971 CG ASP A 63 15.419 5.883 2.573 1.00 0.00 C ATOM 972 OD1 ASP A 63 14.886 5.506 1.506 1.00 0.00 O ATOM 973 OD2 ASP A 63 15.773 7.051 2.844 1.00 0.00 O ATOM 0 H ASP A 63 15.844 2.174 3.993 1.00 0.00 H new ATOM 0 HA ASP A 63 17.352 4.206 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.765 4.200 3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.798 5.313 4.604 1.00 0.00 H new ATOM 978 N GLU A 64 18.583 5.100 4.577 1.00 0.00 N ATOM 979 CA GLU A 64 19.532 5.345 5.649 1.00 0.00 C ATOM 980 C GLU A 64 18.793 5.588 6.967 1.00 0.00 C ATOM 981 O GLU A 64 19.356 5.393 8.043 1.00 0.00 O ATOM 982 CB GLU A 64 20.451 6.521 5.311 1.00 0.00 C ATOM 983 CG GLU A 64 19.655 7.822 5.193 1.00 0.00 C ATOM 984 CD GLU A 64 19.986 8.551 3.889 1.00 0.00 C ATOM 985 OE1 GLU A 64 21.112 9.089 3.810 1.00 0.00 O ATOM 986 OE2 GLU A 64 19.106 8.554 3.001 1.00 0.00 O ATOM 0 H GLU A 64 18.572 5.812 3.846 1.00 0.00 H new ATOM 0 HA GLU A 64 20.157 4.460 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.213 6.625 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.972 6.323 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.588 7.604 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.879 8.468 6.042 1.00 0.00 H new ATOM 993 N ASN A 65 17.544 6.010 6.839 1.00 0.00 N ATOM 994 CA ASN A 65 16.722 6.281 8.006 1.00 0.00 C ATOM 995 C ASN A 65 15.919 5.029 8.362 1.00 0.00 C ATOM 996 O ASN A 65 15.916 4.595 9.513 1.00 0.00 O ATOM 997 CB ASN A 65 15.733 7.416 7.732 1.00 0.00 C ATOM 998 CG ASN A 65 15.041 7.224 6.381 1.00 0.00 C ATOM 999 OD1 ASN A 65 14.095 6.466 6.241 1.00 0.00 O ATOM 1000 ND2 ASN A 65 15.563 7.951 5.397 1.00 0.00 N ATOM 0 H ASN A 65 17.081 6.171 5.945 1.00 0.00 H new ATOM 0 HA ASN A 65 17.383 6.568 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.986 7.452 8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.258 8.371 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.171 7.893 4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.355 8.566 5.582 1.00 0.00 H new ATOM 1007 N SER A 66 15.257 4.483 7.352 1.00 0.00 N ATOM 1008 CA SER A 66 14.452 3.289 7.544 1.00 0.00 C ATOM 1009 C SER A 66 14.804 2.244 6.483 1.00 0.00 C ATOM 1010 O SER A 66 14.970 2.576 5.311 1.00 0.00 O ATOM 1011 CB SER A 66 12.958 3.617 7.490 1.00 0.00 C ATOM 1012 OG SER A 66 12.626 4.406 6.351 1.00 0.00 O ATOM 0 H SER A 66 15.262 4.846 6.399 1.00 0.00 H new ATOM 0 HA SER A 66 14.672 2.884 8.532 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.384 2.691 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.671 4.150 8.396 1.00 0.00 H new ATOM 0 HG SER A 66 13.019 5.299 6.446 1.00 0.00 H new ATOM 1018 N GLU A 67 14.909 1.002 6.934 1.00 0.00 N ATOM 1019 CA GLU A 67 15.238 -0.093 6.038 1.00 0.00 C ATOM 1020 C GLU A 67 14.451 -1.348 6.421 1.00 0.00 C ATOM 1021 O GLU A 67 15.039 -2.386 6.722 1.00 0.00 O ATOM 1022 CB GLU A 67 16.743 -0.368 6.039 1.00 0.00 C ATOM 1023 CG GLU A 67 17.324 -0.235 7.448 1.00 0.00 C ATOM 1024 CD GLU A 67 18.818 -0.567 7.459 1.00 0.00 C ATOM 1025 OE1 GLU A 67 19.144 -1.723 7.113 1.00 0.00 O ATOM 1026 OE2 GLU A 67 19.599 0.342 7.814 1.00 0.00 O ATOM 0 H GLU A 67 14.772 0.730 7.908 1.00 0.00 H new ATOM 0 HA GLU A 67 14.955 0.194 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.933 -1.371 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 67 17.244 0.329 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.171 0.780 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.795 -0.902 8.128 1.00 0.00 H new ATOM 1033 N SER A 68 13.134 -1.211 6.399 1.00 0.00 N ATOM 1034 CA SER A 68 12.260 -2.321 6.741 1.00 0.00 C ATOM 1035 C SER A 68 10.882 -1.796 7.149 1.00 0.00 C ATOM 1036 O SER A 68 9.883 -2.502 7.023 1.00 0.00 O ATOM 1037 CB SER A 68 12.859 -3.168 7.865 1.00 0.00 C ATOM 1038 OG SER A 68 11.862 -3.643 8.765 1.00 0.00 O ATOM 0 H SER A 68 12.650 -0.348 6.150 1.00 0.00 H new ATOM 0 HA SER A 68 12.154 -2.956 5.861 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.393 -4.016 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.591 -2.576 8.414 1.00 0.00 H new ATOM 0 HG SER A 68 12.284 -4.181 9.467 1.00 0.00 H new ATOM 1044 N LYS A 69 10.873 -0.561 7.628 1.00 0.00 N ATOM 1045 CA LYS A 69 9.634 0.067 8.056 1.00 0.00 C ATOM 1046 C LYS A 69 9.184 1.072 6.993 1.00 0.00 C ATOM 1047 O LYS A 69 8.202 1.787 7.187 1.00 0.00 O ATOM 1048 CB LYS A 69 9.796 0.677 9.450 1.00 0.00 C ATOM 1049 CG LYS A 69 10.022 -0.411 10.501 1.00 0.00 C ATOM 1050 CD LYS A 69 11.291 -0.136 11.310 1.00 0.00 C ATOM 1051 CE LYS A 69 11.444 -1.145 12.450 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.514 -0.720 13.379 1.00 0.00 N ATOM 0 H LYS A 69 11.704 0.022 7.729 1.00 0.00 H new ATOM 0 HA LYS A 69 8.842 -0.676 8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.637 1.370 9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.907 1.254 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.163 -0.459 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.101 -1.382 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.162 -0.186 10.656 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.256 0.875 11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.502 -1.238 12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.677 -2.129 12.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.604 -1.416 14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.415 -0.654 12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.276 0.209 13.781 1.00 0.00 H new ATOM 1066 N VAL A 70 9.924 1.094 5.894 1.00 0.00 N ATOM 1067 CA VAL A 70 9.613 1.999 4.801 1.00 0.00 C ATOM 1068 C VAL A 70 9.516 1.204 3.498 1.00 0.00 C ATOM 1069 O VAL A 70 10.301 0.286 3.267 1.00 0.00 O ATOM 1070 CB VAL A 70 10.651 3.122 4.740 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.066 2.554 4.618 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.346 4.088 3.593 1.00 0.00 C ATOM 0 H VAL A 70 10.738 0.500 5.737 1.00 0.00 H new ATOM 0 HA VAL A 70 8.646 2.476 4.964 1.00 0.00 H new ATOM 0 HB VAL A 70 10.595 3.682 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.784 3.373 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.282 1.926 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.142 1.958 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.098 4.877 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.361 3.546 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.361 4.530 3.742 1.00 0.00 H new ATOM 1082 N PHE A 71 8.545 1.585 2.680 1.00 0.00 N ATOM 1083 CA PHE A 71 8.335 0.918 1.406 1.00 0.00 C ATOM 1084 C PHE A 71 8.243 1.934 0.265 1.00 0.00 C ATOM 1085 O PHE A 71 8.299 3.140 0.497 1.00 0.00 O ATOM 1086 CB PHE A 71 7.008 0.163 1.510 1.00 0.00 C ATOM 1087 CG PHE A 71 5.909 0.934 2.244 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.024 1.180 3.576 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.817 1.374 1.563 1.00 0.00 C ATOM 1090 CE1 PHE A 71 5.004 1.895 4.257 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.797 2.090 2.244 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.912 2.335 3.577 1.00 0.00 C ATOM 0 H PHE A 71 7.895 2.347 2.875 1.00 0.00 H new ATOM 0 HA PHE A 71 9.168 0.248 1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.660 -0.078 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.179 -0.783 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.892 0.831 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.726 1.179 0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.095 2.089 5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.930 2.440 1.703 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.136 2.879 4.095 1.00 0.00 H new ATOM 1102 N GLN A 72 8.102 1.407 -0.943 1.00 0.00 N ATOM 1103 CA GLN A 72 8.002 2.252 -2.120 1.00 0.00 C ATOM 1104 C GLN A 72 6.815 1.820 -2.984 1.00 0.00 C ATOM 1105 O GLN A 72 6.519 0.630 -3.088 1.00 0.00 O ATOM 1106 CB GLN A 72 9.303 2.229 -2.925 1.00 0.00 C ATOM 1107 CG GLN A 72 10.387 3.062 -2.238 1.00 0.00 C ATOM 1108 CD GLN A 72 11.716 2.958 -2.989 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.134 1.710 -3.180 1.00 0.00 O flip ATOM 1110 NE2 GLN A 72 12.322 3.946 -3.370 1.00 0.00 N flip ATOM 0 H GLN A 72 8.055 0.406 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 72 7.834 3.278 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.647 1.201 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.122 2.617 -3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.073 4.105 -2.189 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.518 2.720 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.945 4.876 -3.190 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.206 3.842 -3.868 1.00 0.00 H new ATOM 1119 N LEU A 73 6.168 2.809 -3.582 1.00 0.00 N ATOM 1120 CA LEU A 73 5.020 2.546 -4.434 1.00 0.00 C ATOM 1121 C LEU A 73 5.485 2.432 -5.887 1.00 0.00 C ATOM 1122 O LEU A 73 5.688 3.442 -6.559 1.00 0.00 O ATOM 1123 CB LEU A 73 3.937 3.604 -4.216 1.00 0.00 C ATOM 1124 CG LEU A 73 2.677 3.460 -5.071 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.968 2.135 -4.785 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.746 4.660 -4.882 1.00 0.00 C ATOM 0 H LEU A 73 6.417 3.794 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 73 4.560 1.594 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.644 3.584 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.372 4.585 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 73 2.976 3.445 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.076 2.058 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.640 1.307 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.683 2.094 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.858 4.533 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.451 4.731 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.265 5.573 -5.175 1.00 0.00 H new ATOM 1138 N LEU A 74 5.639 1.192 -6.330 1.00 0.00 N ATOM 1139 CA LEU A 74 6.076 0.933 -7.691 1.00 0.00 C ATOM 1140 C LEU A 74 4.871 1.007 -8.631 1.00 0.00 C ATOM 1141 O LEU A 74 3.756 0.659 -8.246 1.00 0.00 O ATOM 1142 CB LEU A 74 6.834 -0.393 -7.767 1.00 0.00 C ATOM 1143 CG LEU A 74 8.269 -0.377 -7.234 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.462 -1.439 -6.150 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.278 -0.531 -8.373 1.00 0.00 C ATOM 0 H LEU A 74 5.469 0.356 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 74 6.783 1.697 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.270 -1.143 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.858 -0.716 -8.808 1.00 0.00 H new ATOM 0 HG LEU A 74 8.451 0.593 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.490 -1.407 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.780 -1.243 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.254 -2.425 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.290 -0.516 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.106 -1.477 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.158 0.291 -9.079 1.00 0.00 H new ATOM 1157 N HIS A 75 5.136 1.463 -9.847 1.00 0.00 N ATOM 1158 CA HIS A 75 4.088 1.587 -10.845 1.00 0.00 C ATOM 1159 C HIS A 75 4.603 1.086 -12.196 1.00 0.00 C ATOM 1160 O HIS A 75 5.273 1.821 -12.920 1.00 0.00 O ATOM 1161 CB HIS A 75 3.563 3.023 -10.906 1.00 0.00 C ATOM 1162 CG HIS A 75 2.411 3.215 -11.863 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.227 2.548 -11.978 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 2.407 4.190 -12.845 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 0.536 3.087 -12.975 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 1.267 4.105 -13.515 1.00 0.00 N flip ATOM 0 H HIS A 75 6.062 1.751 -10.163 1.00 0.00 H new ATOM 0 HA HIS A 75 3.239 0.963 -10.565 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.247 3.326 -9.908 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.378 3.685 -11.197 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.924 1.767 -11.396 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.199 4.900 -13.033 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.443 2.772 -13.304 1.00 0.00 H new ATOM 1174 N LYS A 76 4.271 -0.161 -12.494 1.00 0.00 N ATOM 1175 CA LYS A 76 4.691 -0.769 -13.745 1.00 0.00 C ATOM 1176 C LYS A 76 6.113 -1.314 -13.589 1.00 0.00 C ATOM 1177 O LYS A 76 6.653 -1.922 -14.513 1.00 0.00 O ATOM 1178 CB LYS A 76 4.535 0.221 -14.901 1.00 0.00 C ATOM 1179 CG LYS A 76 3.234 1.015 -14.771 1.00 0.00 C ATOM 1180 CD LYS A 76 2.755 1.510 -16.137 1.00 0.00 C ATOM 1181 CE LYS A 76 3.643 2.645 -16.651 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.689 2.116 -17.555 1.00 0.00 N ATOM 0 H LYS A 76 3.716 -0.767 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 76 4.050 -1.615 -13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.383 0.906 -14.915 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.544 -0.317 -15.849 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.466 0.389 -14.317 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.387 1.865 -14.106 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.763 0.686 -16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.724 1.856 -16.062 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.035 3.380 -17.179 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.107 3.161 -15.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.613 2.508 -17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.718 1.079 -17.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.472 2.389 -18.535 1.00 0.00 H new ATOM 1196 N GLY A 77 6.678 -1.077 -12.415 1.00 0.00 N ATOM 1197 CA GLY A 77 8.026 -1.537 -12.127 1.00 0.00 C ATOM 1198 C GLY A 77 8.893 -0.393 -11.596 1.00 0.00 C ATOM 1199 O GLY A 77 9.890 -0.630 -10.915 1.00 0.00 O ATOM 0 H GLY A 77 6.227 -0.572 -11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.991 -2.342 -11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.475 -1.949 -13.031 1.00 0.00 H new ATOM 1203 N MET A 78 8.483 0.822 -11.929 1.00 0.00 N ATOM 1204 CA MET A 78 9.210 2.002 -11.495 1.00 0.00 C ATOM 1205 C MET A 78 8.619 2.565 -10.201 1.00 0.00 C ATOM 1206 O MET A 78 7.416 2.460 -9.967 1.00 0.00 O ATOM 1207 CB MET A 78 9.152 3.069 -12.590 1.00 0.00 C ATOM 1208 CG MET A 78 7.728 3.603 -12.760 1.00 0.00 C ATOM 1209 SD MET A 78 7.652 5.313 -12.255 1.00 0.00 S ATOM 1210 CE MET A 78 6.602 5.970 -13.540 1.00 0.00 C ATOM 0 H MET A 78 7.656 1.014 -12.495 1.00 0.00 H new ATOM 0 HA MET A 78 10.245 1.719 -11.306 1.00 0.00 H new ATOM 0 HB2 MET A 78 9.824 3.889 -12.339 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.501 2.647 -13.533 1.00 0.00 H new ATOM 0 HG2 MET A 78 7.417 3.509 -13.801 1.00 0.00 H new ATOM 0 HG3 MET A 78 7.035 3.009 -12.165 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.450 7.037 -13.376 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.074 5.816 -14.510 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.639 5.459 -13.520 1.00 0.00 H new ATOM 1220 N VAL A 79 9.492 3.150 -9.395 1.00 0.00 N ATOM 1221 CA VAL A 79 9.072 3.730 -8.131 1.00 0.00 C ATOM 1222 C VAL A 79 8.317 5.034 -8.398 1.00 0.00 C ATOM 1223 O VAL A 79 8.816 5.911 -9.101 1.00 0.00 O ATOM 1224 CB VAL A 79 10.282 3.918 -7.213 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.922 4.781 -6.002 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.852 2.568 -6.774 1.00 0.00 C ATOM 0 H VAL A 79 10.489 3.235 -9.593 1.00 0.00 H new ATOM 0 HA VAL A 79 8.388 3.058 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 79 11.054 4.440 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.799 4.899 -5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.585 5.761 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.125 4.299 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.711 2.730 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.088 2.009 -6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.164 2.002 -7.652 1.00 0.00 H new ATOM 1236 N PHE A 80 7.126 5.119 -7.824 1.00 0.00 N ATOM 1237 CA PHE A 80 6.297 6.300 -7.992 1.00 0.00 C ATOM 1238 C PHE A 80 6.437 7.243 -6.795 1.00 0.00 C ATOM 1239 O PHE A 80 6.453 8.462 -6.959 1.00 0.00 O ATOM 1240 CB PHE A 80 4.847 5.820 -8.081 1.00 0.00 C ATOM 1241 CG PHE A 80 3.825 6.950 -8.226 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.947 7.852 -9.236 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.794 7.052 -7.344 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.999 8.900 -9.371 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.846 8.100 -7.479 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.968 9.002 -8.489 1.00 0.00 C ATOM 0 H PHE A 80 6.715 4.389 -7.242 1.00 0.00 H new ATOM 0 HA PHE A 80 6.601 6.844 -8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.750 5.145 -8.931 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.611 5.243 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.766 7.771 -9.936 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.697 6.336 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.096 9.616 -10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.027 8.181 -6.779 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.247 9.799 -8.591 1.00 0.00 H new ATOM 1256 N TYR A 81 6.534 6.642 -5.618 1.00 0.00 N ATOM 1257 CA TYR A 81 6.672 7.413 -4.394 1.00 0.00 C ATOM 1258 C TYR A 81 7.150 6.529 -3.240 1.00 0.00 C ATOM 1259 O TYR A 81 7.000 5.309 -3.285 1.00 0.00 O ATOM 1260 CB TYR A 81 5.274 7.943 -4.069 1.00 0.00 C ATOM 1261 CG TYR A 81 4.927 9.255 -4.775 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.821 10.306 -4.757 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.719 9.387 -5.430 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.493 11.541 -5.421 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.392 10.622 -6.095 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.295 11.638 -6.058 1.00 0.00 C ATOM 1267 OH TYR A 81 3.986 12.804 -6.685 1.00 0.00 O ATOM 0 H TYR A 81 6.520 5.631 -5.486 1.00 0.00 H new ATOM 0 HA TYR A 81 7.402 8.212 -4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.537 7.188 -4.344 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.193 8.089 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.766 10.202 -4.245 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.019 8.564 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.183 12.372 -5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.451 10.739 -6.611 1.00 0.00 H new ATOM 0 HH TYR A 81 3.100 12.729 -7.098 1.00 0.00 H new ATOM 1277 N VAL A 82 7.716 7.179 -2.234 1.00 0.00 N ATOM 1278 CA VAL A 82 8.217 6.467 -1.070 1.00 0.00 C ATOM 1279 C VAL A 82 7.202 6.581 0.068 1.00 0.00 C ATOM 1280 O VAL A 82 6.356 7.475 0.063 1.00 0.00 O ATOM 1281 CB VAL A 82 9.603 6.993 -0.691 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.210 6.169 0.446 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.531 7.018 -1.907 1.00 0.00 C ATOM 0 H VAL A 82 7.839 8.191 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 82 8.337 5.407 -1.293 1.00 0.00 H new ATOM 0 HB VAL A 82 9.488 8.017 -0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.195 6.564 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.563 6.226 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.305 5.130 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.509 7.396 -1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.637 6.009 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.109 7.667 -2.674 1.00 0.00 H new ATOM 1293 N PHE A 83 7.319 5.664 1.017 1.00 0.00 N ATOM 1294 CA PHE A 83 6.421 5.651 2.160 1.00 0.00 C ATOM 1295 C PHE A 83 7.096 5.021 3.380 1.00 0.00 C ATOM 1296 O PHE A 83 7.635 3.918 3.296 1.00 0.00 O ATOM 1297 CB PHE A 83 5.210 4.803 1.768 1.00 0.00 C ATOM 1298 CG PHE A 83 4.231 5.512 0.831 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.434 6.507 1.306 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.157 5.148 -0.478 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.525 7.165 0.436 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.248 5.807 -1.348 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.451 6.801 -0.873 1.00 0.00 C ATOM 0 H PHE A 83 8.022 4.925 1.018 1.00 0.00 H new ATOM 0 HA PHE A 83 6.137 6.670 2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.560 3.889 1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.680 4.505 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.493 6.796 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.789 4.358 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.892 7.955 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.190 5.518 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.759 7.301 -1.535 1.00 0.00 H new ATOM 1313 N LYS A 84 7.046 5.749 4.486 1.00 0.00 N ATOM 1314 CA LYS A 84 7.646 5.275 5.722 1.00 0.00 C ATOM 1315 C LYS A 84 6.543 4.999 6.746 1.00 0.00 C ATOM 1316 O LYS A 84 5.659 5.829 6.951 1.00 0.00 O ATOM 1317 CB LYS A 84 8.708 6.261 6.214 1.00 0.00 C ATOM 1318 CG LYS A 84 9.125 5.945 7.651 1.00 0.00 C ATOM 1319 CD LYS A 84 9.944 7.091 8.249 1.00 0.00 C ATOM 1320 CE LYS A 84 9.602 7.296 9.726 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.838 7.433 10.530 1.00 0.00 N ATOM 0 H LYS A 84 6.599 6.664 4.552 1.00 0.00 H new ATOM 0 HA LYS A 84 8.170 4.334 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.580 6.218 5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.319 7.278 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.238 5.770 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.711 5.026 7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.007 6.876 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.749 8.010 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.985 8.187 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.016 6.452 10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.588 7.571 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.413 6.572 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.383 8.252 10.193 1.00 0.00 H new ATOM 1335 N ALA A 85 6.631 3.828 7.361 1.00 0.00 N ATOM 1336 CA ALA A 85 5.652 3.432 8.359 1.00 0.00 C ATOM 1337 C ALA A 85 6.246 3.625 9.755 1.00 0.00 C ATOM 1338 O ALA A 85 7.464 3.604 9.924 1.00 0.00 O ATOM 1339 CB ALA A 85 5.221 1.986 8.104 1.00 0.00 C ATOM 0 H ALA A 85 7.365 3.141 7.187 1.00 0.00 H new ATOM 0 HA ALA A 85 4.761 4.056 8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.487 1.688 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.779 1.908 7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.090 1.331 8.167 1.00 0.00 H new ATOM 1345 N ASP A 86 5.358 3.810 10.721 1.00 0.00 N ATOM 1346 CA ASP A 86 5.779 4.007 12.097 1.00 0.00 C ATOM 1347 C ASP A 86 6.644 2.824 12.536 1.00 0.00 C ATOM 1348 O ASP A 86 7.864 2.947 12.638 1.00 0.00 O ATOM 1349 CB ASP A 86 4.573 4.085 13.036 1.00 0.00 C ATOM 1350 CG ASP A 86 4.354 5.448 13.696 1.00 0.00 C ATOM 1351 OD1 ASP A 86 4.815 6.447 13.102 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.732 5.460 14.780 1.00 0.00 O ATOM 0 H ASP A 86 4.348 3.828 10.577 1.00 0.00 H new ATOM 0 HA ASP A 86 6.337 4.942 12.148 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.677 3.822 12.474 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.691 3.334 13.818 1.00 0.00 H new ATOM 1357 N ASP A 87 5.979 1.706 12.784 1.00 0.00 N ATOM 1358 CA ASP A 87 6.672 0.502 13.210 1.00 0.00 C ATOM 1359 C ASP A 87 6.867 -0.422 12.006 1.00 0.00 C ATOM 1360 O ASP A 87 6.470 -0.087 10.891 1.00 0.00 O ATOM 1361 CB ASP A 87 5.862 -0.258 14.262 1.00 0.00 C ATOM 1362 CG ASP A 87 6.087 0.199 15.705 1.00 0.00 C ATOM 1363 OD1 ASP A 87 6.763 1.237 15.873 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.578 -0.500 16.607 1.00 0.00 O ATOM 0 H ASP A 87 4.967 1.608 12.698 1.00 0.00 H new ATOM 0 HA ASP A 87 7.630 0.798 13.638 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.803 -0.157 14.026 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.105 -1.318 14.190 1.00 0.00 H new ATOM 1369 N ALA A 88 7.478 -1.568 12.271 1.00 0.00 N ATOM 1370 CA ALA A 88 7.730 -2.542 11.223 1.00 0.00 C ATOM 1371 C ALA A 88 6.442 -3.315 10.931 1.00 0.00 C ATOM 1372 O ALA A 88 6.005 -3.390 9.784 1.00 0.00 O ATOM 1373 CB ALA A 88 8.878 -3.461 11.646 1.00 0.00 C ATOM 0 H ALA A 88 7.806 -1.843 13.197 1.00 0.00 H new ATOM 0 HA ALA A 88 8.033 -2.045 10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.067 -4.192 10.860 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.777 -2.867 11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.609 -3.979 12.566 1.00 0.00 H new ATOM 1379 N HIS A 89 5.870 -3.871 11.990 1.00 0.00 N ATOM 1380 CA HIS A 89 4.641 -4.635 11.861 1.00 0.00 C ATOM 1381 C HIS A 89 3.650 -3.869 10.983 1.00 0.00 C ATOM 1382 O HIS A 89 2.925 -4.469 10.190 1.00 0.00 O ATOM 1383 CB HIS A 89 4.070 -4.981 13.238 1.00 0.00 C ATOM 1384 CG HIS A 89 3.789 -6.451 13.435 1.00 0.00 C ATOM 1385 ND1 HIS A 89 2.510 -6.956 13.588 1.00 0.00 N ATOM 1386 CD2 HIS A 89 4.635 -7.519 13.501 1.00 0.00 C ATOM 1387 CE1 HIS A 89 2.594 -8.270 13.740 1.00 0.00 C ATOM 1388 NE2 HIS A 89 3.912 -8.617 13.686 1.00 0.00 N ATOM 0 H HIS A 89 6.235 -3.807 12.940 1.00 0.00 H new ATOM 0 HA HIS A 89 4.849 -5.585 11.369 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.771 -4.650 14.004 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.146 -4.422 13.388 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.711 -7.478 13.417 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.765 -8.947 13.882 1.00 0.00 H new ATOM 0 HE2 HIS A 89 4.281 -9.564 13.773 1.00 0.00 H new ATOM 1396 N SER A 90 3.649 -2.555 11.154 1.00 0.00 N ATOM 1397 CA SER A 90 2.759 -1.701 10.387 1.00 0.00 C ATOM 1398 C SER A 90 3.115 -1.774 8.901 1.00 0.00 C ATOM 1399 O SER A 90 2.257 -2.061 8.067 1.00 0.00 O ATOM 1400 CB SER A 90 2.826 -0.254 10.878 1.00 0.00 C ATOM 1401 OG SER A 90 2.381 -0.126 12.226 1.00 0.00 O ATOM 0 H SER A 90 4.251 -2.061 11.813 1.00 0.00 H new ATOM 0 HA SER A 90 1.738 -2.057 10.527 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.851 0.109 10.799 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.214 0.376 10.233 1.00 0.00 H new ATOM 0 HG SER A 90 2.441 0.812 12.503 1.00 0.00 H new ATOM 1407 N THR A 91 4.381 -1.511 8.615 1.00 0.00 N ATOM 1408 CA THR A 91 4.861 -1.543 7.244 1.00 0.00 C ATOM 1409 C THR A 91 4.262 -2.737 6.497 1.00 0.00 C ATOM 1410 O THR A 91 3.702 -2.579 5.413 1.00 0.00 O ATOM 1411 CB THR A 91 6.390 -1.553 7.278 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.737 -0.234 7.689 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.007 -1.683 5.884 1.00 0.00 C ATOM 0 H THR A 91 5.090 -1.275 9.309 1.00 0.00 H new ATOM 0 HA THR A 91 4.540 -0.660 6.692 1.00 0.00 H new ATOM 0 HB THR A 91 6.733 -2.376 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.616 -0.151 8.658 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.094 -1.685 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.676 -2.615 5.425 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.691 -0.842 5.266 1.00 0.00 H new ATOM 1421 N GLN A 92 4.400 -3.905 7.107 1.00 0.00 N ATOM 1422 CA GLN A 92 3.880 -5.125 6.514 1.00 0.00 C ATOM 1423 C GLN A 92 2.392 -4.967 6.193 1.00 0.00 C ATOM 1424 O GLN A 92 1.947 -5.328 5.105 1.00 0.00 O ATOM 1425 CB GLN A 92 4.118 -6.326 7.432 1.00 0.00 C ATOM 1426 CG GLN A 92 5.614 -6.578 7.629 1.00 0.00 C ATOM 1427 CD GLN A 92 6.351 -6.577 6.288 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.684 -7.173 5.304 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 7.452 -6.069 6.157 1.00 0.00 N flip ATOM 0 H GLN A 92 4.865 -4.032 8.006 1.00 0.00 H new ATOM 0 HA GLN A 92 4.415 -5.310 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.645 -6.149 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.649 -7.213 7.005 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.033 -5.810 8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.763 -7.535 8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.908 -5.627 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.917 -6.086 5.249 1.00 0.00 H new ATOM 1438 N ARG A 93 1.665 -4.427 7.160 1.00 0.00 N ATOM 1439 CA ARG A 93 0.237 -4.217 6.994 1.00 0.00 C ATOM 1440 C ARG A 93 -0.033 -3.359 5.756 1.00 0.00 C ATOM 1441 O ARG A 93 -0.938 -3.654 4.977 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.366 -3.532 8.222 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.197 -4.399 9.471 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.356 -4.184 10.448 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.869 -3.506 11.670 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.648 -2.793 12.494 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -2.955 -2.660 12.233 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.120 -2.213 13.580 1.00 0.00 N ATOM 0 H ARG A 93 2.038 -4.129 8.061 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.230 -5.195 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.115 -2.566 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.425 -3.337 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.148 -5.450 9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.746 -4.157 9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.134 -3.585 9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.805 -5.142 10.708 1.00 0.00 H new ATOM 0 HE ARG A 93 0.122 -3.587 11.899 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.358 -3.102 11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.548 -2.117 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.125 -2.314 13.779 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.713 -1.670 14.207 1.00 0.00 H new ATOM 1462 N TRP A 94 0.769 -2.314 5.614 1.00 0.00 N ATOM 1463 CA TRP A 94 0.629 -1.411 4.484 1.00 0.00 C ATOM 1464 C TRP A 94 1.076 -2.156 3.225 1.00 0.00 C ATOM 1465 O TRP A 94 0.368 -2.162 2.219 1.00 0.00 O ATOM 1466 CB TRP A 94 1.405 -0.114 4.719 1.00 0.00 C ATOM 1467 CG TRP A 94 0.579 0.997 5.370 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.715 1.515 6.598 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.524 1.712 4.772 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.216 2.506 6.835 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.993 2.630 5.689 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.105 1.586 3.498 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -2.064 3.493 5.431 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.175 2.455 3.256 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.659 3.385 4.168 1.00 0.00 C ATOM 0 H TRP A 94 1.518 -2.072 6.263 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.411 -1.109 4.358 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.268 -0.328 5.350 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.789 0.245 3.764 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.460 1.197 7.313 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.316 3.048 7.693 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.754 0.875 2.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.413 4.204 6.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.659 2.399 2.292 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.490 4.022 3.904 1.00 0.00 H new ATOM 1486 N ILE A 95 2.248 -2.765 3.322 1.00 0.00 N ATOM 1487 CA ILE A 95 2.798 -3.512 2.203 1.00 0.00 C ATOM 1488 C ILE A 95 1.744 -4.489 1.679 1.00 0.00 C ATOM 1489 O ILE A 95 1.228 -4.318 0.575 1.00 0.00 O ATOM 1490 CB ILE A 95 4.114 -4.183 2.602 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.239 -3.154 2.725 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.472 -5.309 1.629 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.564 -3.830 3.082 1.00 0.00 C ATOM 0 H ILE A 95 2.832 -2.757 4.158 1.00 0.00 H new ATOM 0 HA ILE A 95 3.046 -2.840 1.382 1.00 0.00 H new ATOM 0 HB ILE A 95 3.982 -4.635 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.345 -2.612 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.983 -2.420 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.411 -5.769 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.681 -6.059 1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.578 -4.901 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.347 -3.076 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.462 -4.351 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.829 -4.545 2.303 1.00 0.00 H new ATOM 1505 N ASP A 96 1.454 -5.491 2.496 1.00 0.00 N ATOM 1506 CA ASP A 96 0.470 -6.495 2.129 1.00 0.00 C ATOM 1507 C ASP A 96 -0.815 -5.801 1.673 1.00 0.00 C ATOM 1508 O ASP A 96 -1.436 -6.216 0.695 1.00 0.00 O ATOM 1509 CB ASP A 96 0.126 -7.390 3.321 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.246 -8.830 2.962 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.615 -9.045 1.787 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.153 -9.684 3.870 1.00 0.00 O ATOM 0 H ASP A 96 1.883 -5.629 3.411 1.00 0.00 H new ATOM 0 HA ASP A 96 0.892 -7.104 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.979 -7.409 4.000 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.705 -6.941 3.866 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.176 -4.756 2.403 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.376 -4.000 2.086 1.00 0.00 C ATOM 1519 C ALA A 97 -2.297 -3.508 0.639 1.00 0.00 C ATOM 1520 O ALA A 97 -3.281 -3.570 -0.096 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.535 -2.851 3.084 1.00 0.00 C ATOM 0 H ALA A 97 -0.659 -4.415 3.213 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.260 -4.631 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.435 -2.284 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.617 -3.254 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.667 -2.195 3.025 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.115 -3.032 0.274 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.894 -2.530 -1.072 1.00 0.00 C ATOM 1529 C PHE A 98 -0.710 -3.682 -2.063 1.00 0.00 C ATOM 1530 O PHE A 98 -1.204 -3.622 -3.188 1.00 0.00 O ATOM 1531 CB PHE A 98 0.388 -1.697 -1.033 1.00 0.00 C ATOM 1532 CG PHE A 98 0.171 -0.241 -0.616 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.581 0.584 -1.392 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.731 0.228 0.532 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.782 1.935 -1.004 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.530 1.579 0.919 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.222 2.404 0.143 1.00 0.00 C ATOM 0 H PHE A 98 -0.301 -2.983 0.887 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.752 -1.941 -1.396 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.090 -2.162 -0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.852 -1.717 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.025 0.212 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.328 -0.427 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.380 2.590 -1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.975 1.951 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.375 3.432 0.437 1.00 0.00 H new ATOM 1547 N GLN A 99 0.001 -4.703 -1.609 1.00 0.00 N ATOM 1548 CA GLN A 99 0.257 -5.866 -2.442 1.00 0.00 C ATOM 1549 C GLN A 99 -1.059 -6.558 -2.805 1.00 0.00 C ATOM 1550 O GLN A 99 -1.296 -6.877 -3.969 1.00 0.00 O ATOM 1551 CB GLN A 99 1.214 -6.837 -1.749 1.00 0.00 C ATOM 1552 CG GLN A 99 2.650 -6.633 -2.236 1.00 0.00 C ATOM 1553 CD GLN A 99 2.782 -6.990 -3.718 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.165 -7.916 -4.217 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.620 -6.206 -4.391 1.00 0.00 N ATOM 0 H GLN A 99 0.408 -4.749 -0.675 1.00 0.00 H new ATOM 0 HA GLN A 99 0.736 -5.532 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.168 -6.691 -0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.902 -7.863 -1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.947 -5.596 -2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.329 -7.251 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.105 -5.447 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.777 -6.363 -5.386 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.880 -6.770 -1.787 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.165 -7.418 -1.983 1.00 0.00 C ATOM 1566 C GLU A 100 -4.107 -6.502 -2.767 1.00 0.00 C ATOM 1567 O GLU A 100 -5.181 -6.926 -3.191 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.784 -7.825 -0.645 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.182 -9.138 -0.139 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.279 -10.118 0.282 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -4.878 -9.873 1.352 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.495 -11.089 -0.475 1.00 0.00 O ATOM 0 H GLU A 100 -1.680 -6.504 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.007 -8.327 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.619 -7.038 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.863 -7.935 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.569 -9.586 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.524 -8.938 0.707 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.670 -5.262 -2.937 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.461 -4.283 -3.663 1.00 0.00 C ATOM 1581 C GLY A 101 -4.229 -4.400 -5.171 1.00 0.00 C ATOM 1582 O GLY A 101 -5.173 -4.315 -5.955 1.00 0.00 O ATOM 0 H GLY A 101 -2.779 -4.913 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.518 -4.428 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.200 -3.279 -3.328 1.00 0.00 H new ATOM 1586 N THR A 102 -2.969 -4.592 -5.530 1.00 0.00 N ATOM 1587 CA THR A 102 -2.602 -4.721 -6.930 1.00 0.00 C ATOM 1588 C THR A 102 -3.026 -6.089 -7.469 1.00 0.00 C ATOM 1589 O THR A 102 -3.379 -6.217 -8.640 1.00 0.00 O ATOM 1590 CB THR A 102 -1.099 -4.460 -7.051 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.503 -5.499 -6.278 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.669 -3.174 -6.342 1.00 0.00 C ATOM 0 H THR A 102 -2.189 -4.661 -4.876 1.00 0.00 H new ATOM 0 HA THR A 102 -3.125 -3.988 -7.545 1.00 0.00 H new ATOM 0 HB THR A 102 -0.824 -4.403 -8.104 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.472 -5.407 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.406 -3.036 -6.459 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.193 -2.324 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.913 -3.244 -5.282 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.977 -7.077 -6.588 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.352 -8.431 -6.960 1.00 0.00 C ATOM 1602 C VAL A 103 -4.846 -8.631 -6.700 1.00 0.00 C ATOM 1603 O VAL A 103 -5.584 -7.664 -6.519 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.475 -9.440 -6.216 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.994 -9.208 -6.519 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.741 -9.392 -4.710 1.00 0.00 C ATOM 0 H VAL A 103 -2.683 -6.967 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.182 -8.596 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.737 -10.437 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.393 -9.939 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.820 -9.317 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.712 -8.203 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.105 -10.119 -4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.521 -8.393 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.787 -9.630 -4.518 1.00 0.00 H new ATOM 1616 N SER A 104 -5.249 -9.894 -6.690 1.00 0.00 N ATOM 1617 CA SER A 104 -6.642 -10.233 -6.456 1.00 0.00 C ATOM 1618 C SER A 104 -6.741 -11.342 -5.406 1.00 0.00 C ATOM 1619 O SER A 104 -7.804 -11.932 -5.219 1.00 0.00 O ATOM 1620 CB SER A 104 -7.329 -10.667 -7.752 1.00 0.00 C ATOM 1621 OG SER A 104 -8.727 -10.872 -7.573 1.00 0.00 O ATOM 0 H SER A 104 -4.635 -10.694 -6.840 1.00 0.00 H new ATOM 0 HA SER A 104 -7.153 -9.344 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.169 -9.909 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.871 -11.588 -8.114 1.00 0.00 H new ATOM 0 HG SER A 104 -8.886 -11.305 -6.708 1.00 0.00 H new ATOM 1627 N GLY A 105 -5.618 -11.591 -4.748 1.00 0.00 N ATOM 1628 CA GLY A 105 -5.565 -12.618 -3.722 1.00 0.00 C ATOM 1629 C GLY A 105 -4.861 -13.875 -4.239 1.00 0.00 C ATOM 1630 O GLY A 105 -4.805 -14.106 -5.446 1.00 0.00 O ATOM 0 H GLY A 105 -4.738 -11.099 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.039 -12.236 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.576 -12.869 -3.401 1.00 0.00 H new ATOM 1634 N PRO A 106 -4.329 -14.673 -3.275 1.00 0.00 N ATOM 1635 CA PRO A 106 -3.631 -15.900 -3.621 1.00 0.00 C ATOM 1636 C PRO A 106 -4.618 -16.995 -4.032 1.00 0.00 C ATOM 1637 O PRO A 106 -4.528 -17.535 -5.134 1.00 0.00 O ATOM 1638 CB PRO A 106 -2.829 -16.259 -2.381 1.00 0.00 C ATOM 1639 CG PRO A 106 -3.462 -15.485 -1.236 1.00 0.00 C ATOM 1640 CD PRO A 106 -4.377 -14.431 -1.837 1.00 0.00 C ATOM 0 HA PRO A 106 -2.975 -15.782 -4.483 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -2.862 -17.332 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -1.780 -15.988 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -4.026 -16.155 -0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.694 -15.018 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.393 -14.524 -1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.035 -13.425 -1.593 1.00 0.00 H new ATOM 1648 N SER A 107 -5.537 -17.290 -3.124 1.00 0.00 N ATOM 1649 CA SER A 107 -6.539 -18.311 -3.379 1.00 0.00 C ATOM 1650 C SER A 107 -7.398 -17.912 -4.581 1.00 0.00 C ATOM 1651 O SER A 107 -7.573 -16.727 -4.858 1.00 0.00 O ATOM 1652 CB SER A 107 -7.420 -18.536 -2.148 1.00 0.00 C ATOM 1653 OG SER A 107 -6.876 -19.523 -1.276 1.00 0.00 O ATOM 0 H SER A 107 -5.609 -16.840 -2.211 1.00 0.00 H new ATOM 0 HA SER A 107 -6.026 -19.247 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.533 -17.597 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 107 -8.416 -18.843 -2.466 1.00 0.00 H new ATOM 0 HG SER A 107 -7.466 -19.637 -0.502 1.00 0.00 H new ATOM 1659 N SER A 108 -7.912 -18.926 -5.262 1.00 0.00 N ATOM 1660 CA SER A 108 -8.749 -18.697 -6.428 1.00 0.00 C ATOM 1661 C SER A 108 -10.219 -18.921 -6.069 1.00 0.00 C ATOM 1662 O SER A 108 -10.710 -20.047 -6.123 1.00 0.00 O ATOM 1663 CB SER A 108 -8.340 -19.608 -7.587 1.00 0.00 C ATOM 1664 OG SER A 108 -8.659 -19.037 -8.853 1.00 0.00 O ATOM 0 H SER A 108 -7.765 -19.908 -5.029 1.00 0.00 H new ATOM 0 HA SER A 108 -8.614 -17.664 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.268 -19.801 -7.536 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.842 -20.570 -7.486 1.00 0.00 H new ATOM 0 HG SER A 108 -8.381 -19.648 -9.567 1.00 0.00 H new ATOM 1670 N GLY A 109 -10.881 -17.830 -5.711 1.00 0.00 N ATOM 1671 CA GLY A 109 -12.285 -17.893 -5.343 1.00 0.00 C ATOM 1672 C GLY A 109 -13.047 -16.680 -5.879 1.00 0.00 C ATOM 1673 O GLY A 109 -14.184 -16.432 -5.482 1.00 0.00 O ATOM 0 H GLY A 109 -10.470 -16.897 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.727 -18.808 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.379 -17.935 -4.258 1.00 0.00 H new TER 1677 GLY A 109