USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0831 (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 7:sc= 1.07 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc=-0.00341 (180deg=-0.00341) USER MOD Single : A 18 SER OG : rot -11:sc= 0.747! USER MOD Single : A 25 HIS : no HD1:sc= -2.32! K(o=-2.3!,f=-0.97) USER MOD Single : A 28 HIS : no HD1:sc= -4.66 X(o=-4.7,f=-4.6!) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc=-0.00676 (180deg=-0.112) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 170:sc= 0 (180deg=-0.104) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0486 X(o=-0.049,f=-0.049) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.337 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0735 K(o=-0.073,f=-1.8!) USER MOD Single : A 78 HIS : no HE2:sc= -2.23! X(o=-2.2!,f=-2.4) USER MOD Single : A 81 ASN : amide:sc= -0.959 K(o=-0.96,f=-2!) USER MOD Single : A 86 TYR OH : rot -93:sc= 0.0149 USER MOD Single : A 90 SER OG : rot 39:sc= 0.00215 USER MOD Single : A 93 SER OG : rot 170:sc= -0.148 USER MOD Single : A 94 SER OG : rot 95:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.465 1.993 -2.500 1.00 0.00 N ATOM 2 CA GLY A 1 -40.145 2.586 -2.393 1.00 0.00 C ATOM 3 C GLY A 1 -39.036 1.576 -2.609 1.00 0.00 C ATOM 4 O GLY A 1 -39.294 0.431 -2.980 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.050 2.562 -3.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.382 1.025 -2.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 -41.911 1.967 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.050 3.388 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.033 3.039 -1.408 1.00 0.00 H new ATOM 8 N SER A 2 -37.798 2.000 -2.378 1.00 0.00 N ATOM 9 CA SER A 2 -36.645 1.125 -2.555 1.00 0.00 C ATOM 10 C SER A 2 -35.684 1.247 -1.376 1.00 0.00 C ATOM 11 O SER A 2 -35.549 2.315 -0.779 1.00 0.00 O ATOM 12 CB SER A 2 -35.917 1.462 -3.858 1.00 0.00 C ATOM 13 OG SER A 2 -36.532 0.826 -4.965 1.00 0.00 O ATOM 0 H SER A 2 -37.567 2.944 -2.068 1.00 0.00 H new ATOM 0 HA SER A 2 -37.004 0.097 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.916 2.541 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.875 1.149 -3.788 1.00 0.00 H new ATOM 0 HG SER A 2 -36.049 1.059 -5.786 1.00 0.00 H new ATOM 19 N SER A 3 -35.018 0.145 -1.047 1.00 0.00 N ATOM 20 CA SER A 3 -34.072 0.126 0.062 1.00 0.00 C ATOM 21 C SER A 3 -32.646 -0.076 -0.442 1.00 0.00 C ATOM 22 O SER A 3 -31.877 -0.847 0.129 1.00 0.00 O ATOM 23 CB SER A 3 -34.436 -0.982 1.052 1.00 0.00 C ATOM 24 OG SER A 3 -34.439 -2.250 0.420 1.00 0.00 O ATOM 0 H SER A 3 -35.116 -0.746 -1.533 1.00 0.00 H new ATOM 0 HA SER A 3 -34.126 1.089 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.724 -0.985 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.419 -0.783 1.480 1.00 0.00 H new ATOM 0 HG SER A 3 -34.673 -2.941 1.074 1.00 0.00 H new ATOM 30 N GLY A 4 -32.301 0.624 -1.519 1.00 0.00 N ATOM 31 CA GLY A 4 -30.970 0.509 -2.084 1.00 0.00 C ATOM 32 C GLY A 4 -30.089 1.693 -1.739 1.00 0.00 C ATOM 33 O GLY A 4 -30.503 2.844 -1.873 1.00 0.00 O ATOM 0 H GLY A 4 -32.920 1.269 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.502 -0.406 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.045 0.420 -3.168 1.00 0.00 H new ATOM 37 N SER A 5 -28.869 1.410 -1.291 1.00 0.00 N ATOM 38 CA SER A 5 -27.929 2.461 -0.919 1.00 0.00 C ATOM 39 C SER A 5 -26.529 1.890 -0.715 1.00 0.00 C ATOM 40 O SER A 5 -26.364 0.695 -0.469 1.00 0.00 O ATOM 41 CB SER A 5 -28.396 3.166 0.356 1.00 0.00 C ATOM 42 OG SER A 5 -29.488 4.030 0.090 1.00 0.00 O ATOM 0 H SER A 5 -28.509 0.462 -1.177 1.00 0.00 H new ATOM 0 HA SER A 5 -27.892 3.186 -1.732 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.688 2.424 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.571 3.737 0.782 1.00 0.00 H new ATOM 0 HG SER A 5 -29.778 3.914 -0.839 1.00 0.00 H new ATOM 48 N SER A 6 -25.524 2.753 -0.817 1.00 0.00 N ATOM 49 CA SER A 6 -24.137 2.336 -0.648 1.00 0.00 C ATOM 50 C SER A 6 -23.990 1.422 0.565 1.00 0.00 C ATOM 51 O SER A 6 -24.703 1.567 1.556 1.00 0.00 O ATOM 52 CB SER A 6 -23.229 3.557 -0.493 1.00 0.00 C ATOM 53 OG SER A 6 -23.527 4.266 0.697 1.00 0.00 O ATOM 0 H SER A 6 -25.644 3.746 -1.016 1.00 0.00 H new ATOM 0 HA SER A 6 -23.839 1.782 -1.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.186 3.239 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.350 4.216 -1.353 1.00 0.00 H new ATOM 0 HG SER A 6 -22.932 5.041 0.774 1.00 0.00 H new ATOM 59 N GLY A 7 -23.057 0.478 0.477 1.00 0.00 N ATOM 60 CA GLY A 7 -22.832 -0.446 1.573 1.00 0.00 C ATOM 61 C GLY A 7 -21.449 -1.066 1.534 1.00 0.00 C ATOM 62 O GLY A 7 -21.238 -2.089 0.881 1.00 0.00 O ATOM 0 H GLY A 7 -22.454 0.337 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.965 0.078 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.582 -1.236 1.538 1.00 0.00 H new ATOM 66 N ARG A 8 -20.504 -0.446 2.232 1.00 0.00 N ATOM 67 CA ARG A 8 -19.133 -0.941 2.272 1.00 0.00 C ATOM 68 C ARG A 8 -18.935 -1.898 3.444 1.00 0.00 C ATOM 69 O ARG A 8 -19.738 -1.927 4.377 1.00 0.00 O ATOM 70 CB ARG A 8 -18.149 0.225 2.380 1.00 0.00 C ATOM 71 CG ARG A 8 -17.691 0.762 1.034 1.00 0.00 C ATOM 72 CD ARG A 8 -16.615 -0.120 0.420 1.00 0.00 C ATOM 73 NE ARG A 8 -15.285 0.201 0.932 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.666 1.353 0.695 1.00 0.00 C ATOM 75 NH1 ARG A 8 -15.253 2.286 -0.040 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.457 1.572 1.196 1.00 0.00 N ATOM 0 H ARG A 8 -20.662 0.401 2.778 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.942 -1.483 1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.616 1.032 2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.277 -0.098 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.543 0.824 0.357 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.307 1.775 1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.841 -1.166 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.624 -0.002 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.806 -0.496 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.183 2.121 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.775 3.169 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.003 0.856 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.982 2.456 1.014 1.00 0.00 H new ATOM 90 N ILE A 9 -17.862 -2.680 3.388 1.00 0.00 N ATOM 91 CA ILE A 9 -17.558 -3.637 4.445 1.00 0.00 C ATOM 92 C ILE A 9 -16.075 -3.988 4.459 1.00 0.00 C ATOM 93 O ILE A 9 -15.323 -3.592 3.568 1.00 0.00 O ATOM 94 CB ILE A 9 -18.379 -4.930 4.286 1.00 0.00 C ATOM 95 CG1 ILE A 9 -18.316 -5.426 2.840 1.00 0.00 C ATOM 96 CG2 ILE A 9 -19.822 -4.697 4.709 1.00 0.00 C ATOM 97 CD1 ILE A 9 -16.964 -5.980 2.450 1.00 0.00 C ATOM 0 H ILE A 9 -17.189 -2.670 2.622 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.825 -3.161 5.388 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.950 -5.696 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.071 -6.198 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.569 -4.604 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.389 -5.620 4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.849 -4.385 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.262 -3.918 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.993 -6.313 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.207 -5.204 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.717 -6.823 3.095 1.00 0.00 H new ATOM 109 N VAL A 10 -15.659 -4.737 5.475 1.00 0.00 N ATOM 110 CA VAL A 10 -14.265 -5.145 5.604 1.00 0.00 C ATOM 111 C VAL A 10 -14.035 -6.517 4.981 1.00 0.00 C ATOM 112 O VAL A 10 -13.123 -6.700 4.176 1.00 0.00 O ATOM 113 CB VAL A 10 -13.826 -5.183 7.080 1.00 0.00 C ATOM 114 CG1 VAL A 10 -12.354 -5.553 7.190 1.00 0.00 C ATOM 115 CG2 VAL A 10 -14.099 -3.846 7.751 1.00 0.00 C ATOM 0 H VAL A 10 -16.268 -5.074 6.221 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.667 -4.404 5.074 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.408 -5.948 7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.062 -5.575 8.240 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.192 -6.536 6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.752 -4.814 6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.783 -3.891 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.544 -3.061 7.237 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.166 -3.627 7.705 1.00 0.00 H new ATOM 125 N GLY A 11 -14.869 -7.481 5.360 1.00 0.00 N ATOM 126 CA GLY A 11 -14.740 -8.825 4.828 1.00 0.00 C ATOM 127 C GLY A 11 -14.133 -9.788 5.829 1.00 0.00 C ATOM 128 O GLY A 11 -13.777 -9.396 6.940 1.00 0.00 O ATOM 0 H GLY A 11 -15.631 -7.355 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.722 -9.189 4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.121 -8.800 3.931 1.00 0.00 H new ATOM 132 N GLU A 12 -14.015 -11.053 5.435 1.00 0.00 N ATOM 133 CA GLU A 12 -13.449 -12.074 6.307 1.00 0.00 C ATOM 134 C GLU A 12 -11.988 -12.342 5.956 1.00 0.00 C ATOM 135 O GLU A 12 -11.615 -12.367 4.782 1.00 0.00 O ATOM 136 CB GLU A 12 -14.255 -13.371 6.202 1.00 0.00 C ATOM 137 CG GLU A 12 -15.511 -13.377 7.058 1.00 0.00 C ATOM 138 CD GLU A 12 -15.204 -13.401 8.543 1.00 0.00 C ATOM 139 OE1 GLU A 12 -14.341 -14.202 8.959 1.00 0.00 O ATOM 140 OE2 GLU A 12 -15.828 -12.618 9.290 1.00 0.00 O ATOM 0 H GLU A 12 -14.304 -11.394 4.518 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.497 -11.706 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.534 -13.532 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.621 -14.208 6.496 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.107 -12.494 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.117 -14.246 6.802 1.00 0.00 H new ATOM 147 N LEU A 13 -11.166 -12.540 6.980 1.00 0.00 N ATOM 148 CA LEU A 13 -9.745 -12.805 6.781 1.00 0.00 C ATOM 149 C LEU A 13 -9.530 -13.783 5.630 1.00 0.00 C ATOM 150 O LEU A 13 -8.753 -13.516 4.714 1.00 0.00 O ATOM 151 CB LEU A 13 -9.126 -13.364 8.063 1.00 0.00 C ATOM 152 CG LEU A 13 -8.608 -12.330 9.064 1.00 0.00 C ATOM 153 CD1 LEU A 13 -8.413 -12.964 10.432 1.00 0.00 C ATOM 154 CD2 LEU A 13 -7.307 -11.714 8.569 1.00 0.00 C ATOM 0 H LEU A 13 -11.459 -12.522 7.957 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.256 -11.864 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.871 -13.983 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.300 -14.020 7.788 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.350 -11.537 9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.044 -12.214 11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.365 -13.357 10.790 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.690 -13.776 10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.953 -10.981 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.557 -12.496 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.478 -11.224 7.611 1.00 0.00 H new ATOM 166 N GLU A 14 -10.225 -14.915 5.684 1.00 0.00 N ATOM 167 CA GLU A 14 -10.110 -15.932 4.646 1.00 0.00 C ATOM 168 C GLU A 14 -10.422 -15.344 3.272 1.00 0.00 C ATOM 169 O GLU A 14 -9.727 -15.621 2.295 1.00 0.00 O ATOM 170 CB GLU A 14 -11.053 -17.101 4.938 1.00 0.00 C ATOM 171 CG GLU A 14 -10.666 -17.900 6.171 1.00 0.00 C ATOM 172 CD GLU A 14 -11.556 -19.110 6.385 1.00 0.00 C ATOM 173 OE1 GLU A 14 -12.658 -18.944 6.947 1.00 0.00 O ATOM 174 OE2 GLU A 14 -11.149 -20.222 5.989 1.00 0.00 O ATOM 0 H GLU A 14 -10.873 -15.151 6.435 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.083 -16.296 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.065 -16.717 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.072 -17.766 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.631 -18.227 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.718 -17.255 7.048 1.00 0.00 H new ATOM 181 N GLN A 15 -11.472 -14.532 3.207 1.00 0.00 N ATOM 182 CA GLN A 15 -11.877 -13.906 1.954 1.00 0.00 C ATOM 183 C GLN A 15 -10.768 -13.013 1.409 1.00 0.00 C ATOM 184 O GLN A 15 -10.486 -13.018 0.211 1.00 0.00 O ATOM 185 CB GLN A 15 -13.154 -13.089 2.157 1.00 0.00 C ATOM 186 CG GLN A 15 -14.393 -13.940 2.382 1.00 0.00 C ATOM 187 CD GLN A 15 -15.047 -14.373 1.084 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.687 -15.399 0.507 1.00 0.00 O ATOM 189 NE2 GLN A 15 -16.013 -13.591 0.619 1.00 0.00 N ATOM 0 H GLN A 15 -12.058 -14.292 4.007 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.072 -14.696 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.019 -12.426 3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.312 -12.456 1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.122 -14.823 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.112 -13.377 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.279 -12.750 1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.490 -13.831 -0.250 1.00 0.00 H new ATOM 198 N MET A 16 -10.142 -12.246 2.296 1.00 0.00 N ATOM 199 CA MET A 16 -9.063 -11.348 1.902 1.00 0.00 C ATOM 200 C MET A 16 -7.999 -12.093 1.103 1.00 0.00 C ATOM 201 O MET A 16 -7.878 -13.314 1.200 1.00 0.00 O ATOM 202 CB MET A 16 -8.431 -10.703 3.138 1.00 0.00 C ATOM 203 CG MET A 16 -9.445 -10.081 4.084 1.00 0.00 C ATOM 204 SD MET A 16 -8.675 -9.050 5.347 1.00 0.00 S ATOM 205 CE MET A 16 -10.120 -8.409 6.188 1.00 0.00 C ATOM 0 H MET A 16 -10.363 -12.229 3.292 1.00 0.00 H new ATOM 0 HA MET A 16 -9.486 -10.568 1.269 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.857 -11.456 3.678 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.727 -9.935 2.817 1.00 0.00 H new ATOM 0 HG2 MET A 16 -10.150 -9.480 3.510 1.00 0.00 H new ATOM 0 HG3 MET A 16 -10.019 -10.872 4.566 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.807 -7.751 6.999 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.733 -7.849 5.482 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.701 -9.236 6.596 1.00 0.00 H new ATOM 215 N VAL A 17 -7.231 -11.350 0.312 1.00 0.00 N ATOM 216 CA VAL A 17 -6.176 -11.941 -0.503 1.00 0.00 C ATOM 217 C VAL A 17 -4.886 -11.136 -0.400 1.00 0.00 C ATOM 218 O VAL A 17 -4.908 -9.906 -0.395 1.00 0.00 O ATOM 219 CB VAL A 17 -6.596 -12.032 -1.983 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.921 -12.766 -2.119 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.681 -10.643 -2.598 1.00 0.00 C ATOM 0 H VAL A 17 -7.320 -10.338 0.218 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.004 -12.947 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.838 -12.599 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.201 -12.820 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.821 -13.775 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.692 -12.230 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.979 -10.726 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.418 -10.050 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.707 -10.157 -2.535 1.00 0.00 H new ATOM 231 N SER A 18 -3.761 -11.840 -0.319 1.00 0.00 N ATOM 232 CA SER A 18 -2.459 -11.191 -0.213 1.00 0.00 C ATOM 233 C SER A 18 -1.782 -11.105 -1.577 1.00 0.00 C ATOM 234 O SER A 18 -1.484 -12.125 -2.199 1.00 0.00 O ATOM 235 CB SER A 18 -1.564 -11.953 0.766 1.00 0.00 C ATOM 236 OG SER A 18 -0.832 -12.969 0.103 1.00 0.00 O ATOM 0 H SER A 18 -3.725 -12.859 -0.325 1.00 0.00 H new ATOM 0 HA SER A 18 -2.615 -10.179 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.875 -11.260 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.175 -12.395 1.553 1.00 0.00 H new ATOM 0 HG SER A 18 -1.187 -13.091 -0.802 1.00 0.00 H new ATOM 242 N GLU A 19 -1.543 -9.881 -2.036 1.00 0.00 N ATOM 243 CA GLU A 19 -0.902 -9.661 -3.327 1.00 0.00 C ATOM 244 C GLU A 19 0.447 -8.969 -3.155 1.00 0.00 C ATOM 245 O GLU A 19 0.730 -8.392 -2.104 1.00 0.00 O ATOM 246 CB GLU A 19 -1.806 -8.824 -4.235 1.00 0.00 C ATOM 247 CG GLU A 19 -2.753 -9.654 -5.085 1.00 0.00 C ATOM 248 CD GLU A 19 -2.025 -10.500 -6.112 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.027 -10.012 -6.682 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.453 -11.649 -6.345 1.00 0.00 O ATOM 0 H GLU A 19 -1.783 -9.027 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.735 -10.633 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.389 -8.139 -3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.184 -8.214 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.343 -10.303 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.453 -8.992 -5.595 1.00 0.00 H new ATOM 257 N ASP A 20 1.274 -9.030 -4.192 1.00 0.00 N ATOM 258 CA ASP A 20 2.592 -8.409 -4.157 1.00 0.00 C ATOM 259 C ASP A 20 2.644 -7.191 -5.074 1.00 0.00 C ATOM 260 O ASP A 20 2.261 -7.263 -6.242 1.00 0.00 O ATOM 261 CB ASP A 20 3.666 -9.417 -4.567 1.00 0.00 C ATOM 262 CG ASP A 20 3.907 -10.471 -3.504 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.922 -11.083 -3.041 1.00 0.00 O ATOM 264 OD2 ASP A 20 5.081 -10.685 -3.136 1.00 0.00 O ATOM 0 H ASP A 20 1.055 -9.504 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 20 2.784 -8.081 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.368 -9.903 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.598 -8.889 -4.769 1.00 0.00 H new ATOM 269 N VAL A 21 3.119 -6.071 -4.537 1.00 0.00 N ATOM 270 CA VAL A 21 3.221 -4.837 -5.306 1.00 0.00 C ATOM 271 C VAL A 21 4.653 -4.314 -5.319 1.00 0.00 C ATOM 272 O VAL A 21 5.236 -4.003 -4.280 1.00 0.00 O ATOM 273 CB VAL A 21 2.293 -3.746 -4.742 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.921 -2.747 -5.827 1.00 0.00 C ATOM 275 CG2 VAL A 21 1.047 -4.370 -4.131 1.00 0.00 C ATOM 0 H VAL A 21 3.439 -5.994 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 21 2.914 -5.073 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 21 2.827 -3.211 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.265 -1.984 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.825 -2.276 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.406 -3.264 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.402 -3.584 -3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.509 -4.932 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.336 -5.042 -3.323 1.00 0.00 H new ATOM 285 N PRO A 22 5.236 -4.213 -6.523 1.00 0.00 N ATOM 286 CA PRO A 22 6.607 -3.727 -6.701 1.00 0.00 C ATOM 287 C PRO A 22 6.736 -2.237 -6.405 1.00 0.00 C ATOM 288 O PRO A 22 6.413 -1.396 -7.245 1.00 0.00 O ATOM 289 CB PRO A 22 6.893 -4.006 -8.178 1.00 0.00 C ATOM 290 CG PRO A 22 5.553 -4.017 -8.828 1.00 0.00 C ATOM 291 CD PRO A 22 4.600 -4.567 -7.803 1.00 0.00 C ATOM 0 HA PRO A 22 7.304 -4.213 -6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.536 -3.238 -8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.404 -4.960 -8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.260 -3.013 -9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.560 -4.635 -9.726 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.609 -4.123 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.477 -5.645 -7.906 1.00 0.00 H new ATOM 299 N LEU A 23 7.211 -1.915 -5.206 1.00 0.00 N ATOM 300 CA LEU A 23 7.383 -0.525 -4.800 1.00 0.00 C ATOM 301 C LEU A 23 8.852 -0.215 -4.530 1.00 0.00 C ATOM 302 O LEU A 23 9.463 -0.790 -3.629 1.00 0.00 O ATOM 303 CB LEU A 23 6.550 -0.231 -3.551 1.00 0.00 C ATOM 304 CG LEU A 23 6.508 1.230 -3.100 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.672 2.061 -4.061 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.961 1.336 -1.685 1.00 0.00 C ATOM 0 H LEU A 23 7.484 -2.598 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 23 7.040 0.111 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.528 -0.563 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.939 -0.833 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 23 7.525 1.621 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.653 3.098 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.108 2.011 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.655 1.670 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.938 2.383 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.951 0.927 -1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.601 0.774 -1.005 1.00 0.00 H new ATOM 318 N ASP A 24 9.413 0.699 -5.315 1.00 0.00 N ATOM 319 CA ASP A 24 10.809 1.088 -5.159 1.00 0.00 C ATOM 320 C ASP A 24 11.132 1.377 -3.696 1.00 0.00 C ATOM 321 O ASP A 24 10.310 1.931 -2.965 1.00 0.00 O ATOM 322 CB ASP A 24 11.117 2.317 -6.015 1.00 0.00 C ATOM 323 CG ASP A 24 12.605 2.523 -6.218 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.393 2.013 -5.395 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.981 3.195 -7.202 1.00 0.00 O ATOM 0 H ASP A 24 8.922 1.184 -6.066 1.00 0.00 H new ATOM 0 HA ASP A 24 11.432 0.258 -5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.632 2.211 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.692 3.202 -5.541 1.00 0.00 H new ATOM 330 N HIS A 25 12.335 0.998 -3.275 1.00 0.00 N ATOM 331 CA HIS A 25 12.766 1.216 -1.899 1.00 0.00 C ATOM 332 C HIS A 25 13.122 2.681 -1.667 1.00 0.00 C ATOM 333 O HIS A 25 13.258 3.124 -0.526 1.00 0.00 O ATOM 334 CB HIS A 25 13.969 0.330 -1.572 1.00 0.00 C ATOM 335 CG HIS A 25 14.588 0.626 -0.241 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.935 0.475 0.013 1.00 0.00 N ATOM 337 CD2 HIS A 25 14.036 1.070 0.913 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.185 0.810 1.266 1.00 0.00 C ATOM 339 NE2 HIS A 25 15.049 1.176 1.834 1.00 0.00 N ATOM 0 H HIS A 25 13.028 0.539 -3.867 1.00 0.00 H new ATOM 0 HA HIS A 25 11.939 0.952 -1.240 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.657 -0.714 -1.594 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.723 0.454 -2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 25 12.993 1.298 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.153 0.789 1.745 1.00 0.00 H new ATOM 0 HE2 HIS A 25 14.942 1.487 2.800 1.00 0.00 H new ATOM 347 N ARG A 26 13.271 3.429 -2.756 1.00 0.00 N ATOM 348 CA ARG A 26 13.613 4.843 -2.671 1.00 0.00 C ATOM 349 C ARG A 26 12.395 5.674 -2.278 1.00 0.00 C ATOM 350 O ARG A 26 12.525 6.812 -1.827 1.00 0.00 O ATOM 351 CB ARG A 26 14.170 5.337 -4.007 1.00 0.00 C ATOM 352 CG ARG A 26 15.678 5.189 -4.130 1.00 0.00 C ATOM 353 CD ARG A 26 16.218 5.959 -5.325 1.00 0.00 C ATOM 354 NE ARG A 26 17.439 5.360 -5.856 1.00 0.00 N ATOM 355 CZ ARG A 26 17.483 4.160 -6.423 1.00 0.00 C ATOM 356 NH1 ARG A 26 16.379 3.434 -6.533 1.00 0.00 N ATOM 357 NH2 ARG A 26 18.633 3.683 -6.882 1.00 0.00 N ATOM 0 H ARG A 26 13.160 3.079 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 26 14.376 4.960 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.692 4.785 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.905 6.386 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.155 5.548 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.934 4.134 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.460 5.991 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 26 16.418 6.990 -5.032 1.00 0.00 H new ATOM 0 HE ARG A 26 18.306 5.893 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.493 3.797 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.416 2.513 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 26 19.485 4.238 -6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.665 2.761 -7.317 1.00 0.00 H new ATOM 371 N VAL A 27 11.210 5.097 -2.452 1.00 0.00 N ATOM 372 CA VAL A 27 9.968 5.784 -2.116 1.00 0.00 C ATOM 373 C VAL A 27 9.265 5.104 -0.946 1.00 0.00 C ATOM 374 O VAL A 27 8.144 5.467 -0.586 1.00 0.00 O ATOM 375 CB VAL A 27 9.009 5.831 -3.320 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.686 6.482 -4.516 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.522 4.433 -3.668 1.00 0.00 C ATOM 0 H VAL A 27 11.084 4.156 -2.824 1.00 0.00 H new ATOM 0 HA VAL A 27 10.235 6.803 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 27 8.143 6.435 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.993 6.506 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.980 7.499 -4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.570 5.907 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.845 4.485 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.375 3.803 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.996 4.008 -2.813 1.00 0.00 H new ATOM 387 N HIS A 28 9.930 4.117 -0.355 1.00 0.00 N ATOM 388 CA HIS A 28 9.368 3.387 0.776 1.00 0.00 C ATOM 389 C HIS A 28 9.086 4.327 1.944 1.00 0.00 C ATOM 390 O HIS A 28 7.948 4.445 2.397 1.00 0.00 O ATOM 391 CB HIS A 28 10.323 2.277 1.218 1.00 0.00 C ATOM 392 CG HIS A 28 10.133 0.991 0.475 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.652 -0.211 0.906 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.474 0.724 -0.677 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.322 -1.163 0.051 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.607 -0.621 -0.919 1.00 0.00 N ATOM 0 H HIS A 28 10.858 3.804 -0.640 1.00 0.00 H new ATOM 0 HA HIS A 28 8.426 2.941 0.457 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.350 2.617 1.082 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.186 2.095 2.284 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.943 1.436 -1.291 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.591 -2.206 0.131 1.00 0.00 H new ATOM 0 HE2 HIS A 28 9.217 -1.121 -1.718 1.00 0.00 H new ATOM 404 N ALA A 29 10.130 4.993 2.426 1.00 0.00 N ATOM 405 CA ALA A 29 9.994 5.923 3.540 1.00 0.00 C ATOM 406 C ALA A 29 9.090 7.094 3.170 1.00 0.00 C ATOM 407 O ALA A 29 8.250 7.518 3.964 1.00 0.00 O ATOM 408 CB ALA A 29 11.362 6.427 3.977 1.00 0.00 C ATOM 0 H ALA A 29 11.079 4.906 2.063 1.00 0.00 H new ATOM 0 HA ALA A 29 9.533 5.390 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.245 7.121 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.977 5.584 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.845 6.938 3.144 1.00 0.00 H new ATOM 414 N ARG A 30 9.269 7.614 1.960 1.00 0.00 N ATOM 415 CA ARG A 30 8.470 8.738 1.485 1.00 0.00 C ATOM 416 C ARG A 30 6.980 8.436 1.608 1.00 0.00 C ATOM 417 O ARG A 30 6.179 9.323 1.902 1.00 0.00 O ATOM 418 CB ARG A 30 8.818 9.061 0.031 1.00 0.00 C ATOM 419 CG ARG A 30 9.948 10.066 -0.116 1.00 0.00 C ATOM 420 CD ARG A 30 10.333 10.263 -1.574 1.00 0.00 C ATOM 421 NE ARG A 30 11.502 11.126 -1.720 1.00 0.00 N ATOM 422 CZ ARG A 30 12.285 11.127 -2.793 1.00 0.00 C ATOM 423 NH1 ARG A 30 12.025 10.315 -3.808 1.00 0.00 N ATOM 424 NH2 ARG A 30 13.331 11.941 -2.851 1.00 0.00 N ATOM 0 H ARG A 30 9.960 7.275 1.291 1.00 0.00 H new ATOM 0 HA ARG A 30 8.700 9.603 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.094 8.139 -0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.930 9.449 -0.468 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.645 11.021 0.314 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.816 9.724 0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.539 9.294 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.492 10.697 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 30 11.730 11.763 -0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.222 9.687 -3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.628 10.318 -4.631 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.534 12.566 -2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.932 11.941 -3.675 1.00 0.00 H new ATOM 438 N ILE A 31 6.615 7.178 1.379 1.00 0.00 N ATOM 439 CA ILE A 31 5.222 6.760 1.465 1.00 0.00 C ATOM 440 C ILE A 31 4.839 6.412 2.899 1.00 0.00 C ATOM 441 O ILE A 31 3.832 6.895 3.418 1.00 0.00 O ATOM 442 CB ILE A 31 4.943 5.544 0.562 1.00 0.00 C ATOM 443 CG1 ILE A 31 5.040 5.942 -0.912 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.573 4.959 0.869 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.058 4.762 -1.857 1.00 0.00 C ATOM 0 H ILE A 31 7.265 6.432 1.133 1.00 0.00 H new ATOM 0 HA ILE A 31 4.619 7.602 1.125 1.00 0.00 H new ATOM 0 HB ILE A 31 5.695 4.781 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.196 6.585 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.945 6.531 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.391 4.100 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.538 4.642 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.807 5.714 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.128 5.120 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.917 4.130 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.142 4.185 -1.736 1.00 0.00 H new ATOM 457 N ILE A 32 5.649 5.573 3.535 1.00 0.00 N ATOM 458 CA ILE A 32 5.397 5.163 4.911 1.00 0.00 C ATOM 459 C ILE A 32 4.967 6.349 5.768 1.00 0.00 C ATOM 460 O ILE A 32 3.948 6.295 6.455 1.00 0.00 O ATOM 461 CB ILE A 32 6.643 4.513 5.542 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.904 3.143 4.913 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.468 4.385 7.048 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.282 2.594 5.209 1.00 0.00 C ATOM 0 H ILE A 32 6.486 5.164 3.119 1.00 0.00 H new ATOM 0 HA ILE A 32 4.591 4.430 4.879 1.00 0.00 H new ATOM 0 HB ILE A 32 7.505 5.151 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.156 2.438 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.776 3.218 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.356 3.924 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.325 5.374 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.597 3.765 7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.396 1.621 4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.037 3.279 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.407 2.486 6.286 1.00 0.00 H new ATOM 476 N GLY A 33 5.752 7.421 5.721 1.00 0.00 N ATOM 477 CA GLY A 33 5.435 8.607 6.496 1.00 0.00 C ATOM 478 C GLY A 33 6.283 8.725 7.747 1.00 0.00 C ATOM 479 O GLY A 33 6.755 7.723 8.282 1.00 0.00 O ATOM 0 H GLY A 33 6.601 7.490 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.581 9.492 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.382 8.584 6.775 1.00 0.00 H new ATOM 483 N ALA A 34 6.480 9.954 8.212 1.00 0.00 N ATOM 484 CA ALA A 34 7.276 10.200 9.408 1.00 0.00 C ATOM 485 C ALA A 34 6.882 9.252 10.535 1.00 0.00 C ATOM 486 O ALA A 34 7.695 8.453 11.000 1.00 0.00 O ATOM 487 CB ALA A 34 7.125 11.647 9.855 1.00 0.00 C ATOM 0 H ALA A 34 6.099 10.795 7.779 1.00 0.00 H new ATOM 0 HA ALA A 34 8.322 10.015 9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.725 11.816 10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.464 12.311 9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.078 11.852 10.077 1.00 0.00 H new ATOM 493 N ARG A 35 5.630 9.347 10.971 1.00 0.00 N ATOM 494 CA ARG A 35 5.128 8.498 12.045 1.00 0.00 C ATOM 495 C ARG A 35 4.214 7.407 11.495 1.00 0.00 C ATOM 496 O ARG A 35 3.374 6.867 12.212 1.00 0.00 O ATOM 497 CB ARG A 35 4.373 9.338 13.077 1.00 0.00 C ATOM 498 CG ARG A 35 5.267 9.919 14.160 1.00 0.00 C ATOM 499 CD ARG A 35 5.629 8.874 15.204 1.00 0.00 C ATOM 500 NE ARG A 35 6.039 9.481 16.467 1.00 0.00 N ATOM 501 CZ ARG A 35 6.244 8.789 17.583 1.00 0.00 C ATOM 502 NH1 ARG A 35 6.077 7.473 17.590 1.00 0.00 N ATOM 503 NH2 ARG A 35 6.616 9.412 18.693 1.00 0.00 N ATOM 0 H ARG A 35 4.945 10.003 10.597 1.00 0.00 H new ATOM 0 HA ARG A 35 5.982 8.023 12.527 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.860 10.152 12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.605 8.721 13.544 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.177 10.314 13.709 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.760 10.756 14.641 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.773 8.222 15.376 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.436 8.247 14.825 1.00 0.00 H new ATOM 0 HE ARG A 35 6.176 10.491 16.494 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.791 6.991 16.738 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.235 6.943 18.447 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.745 10.424 18.691 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.773 8.879 19.549 1.00 0.00 H new ATOM 517 N GLY A 36 4.385 7.088 10.215 1.00 0.00 N ATOM 518 CA GLY A 36 3.569 6.064 9.590 1.00 0.00 C ATOM 519 C GLY A 36 2.137 6.513 9.379 1.00 0.00 C ATOM 520 O GLY A 36 1.228 5.689 9.274 1.00 0.00 O ATOM 0 H GLY A 36 5.074 7.521 9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.006 5.791 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.578 5.168 10.210 1.00 0.00 H new ATOM 524 N LYS A 37 1.933 7.825 9.317 1.00 0.00 N ATOM 525 CA LYS A 37 0.601 8.384 9.117 1.00 0.00 C ATOM 526 C LYS A 37 0.210 8.345 7.643 1.00 0.00 C ATOM 527 O LYS A 37 -0.888 7.911 7.294 1.00 0.00 O ATOM 528 CB LYS A 37 0.548 9.824 9.631 1.00 0.00 C ATOM 529 CG LYS A 37 -0.857 10.399 9.684 1.00 0.00 C ATOM 530 CD LYS A 37 -0.836 11.917 9.752 1.00 0.00 C ATOM 531 CE LYS A 37 -0.810 12.537 8.364 1.00 0.00 C ATOM 532 NZ LYS A 37 -2.127 12.420 7.679 1.00 0.00 N ATOM 0 H LYS A 37 2.674 8.521 9.402 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.109 7.777 9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.985 9.861 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.165 10.453 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.415 10.081 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.381 10.002 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.714 12.270 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.038 12.245 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.533 13.588 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.043 12.049 7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.157 13.074 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.257 11.445 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.888 12.659 8.346 1.00 0.00 H new ATOM 546 N ALA A 38 1.116 8.799 6.783 1.00 0.00 N ATOM 547 CA ALA A 38 0.866 8.812 5.347 1.00 0.00 C ATOM 548 C ALA A 38 0.334 7.465 4.870 1.00 0.00 C ATOM 549 O ALA A 38 -0.586 7.405 4.053 1.00 0.00 O ATOM 550 CB ALA A 38 2.137 9.175 4.594 1.00 0.00 C ATOM 0 H ALA A 38 2.029 9.162 7.056 1.00 0.00 H new ATOM 0 HA ALA A 38 0.106 9.566 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.936 9.181 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.475 10.163 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.912 8.441 4.814 1.00 0.00 H new ATOM 556 N ILE A 39 0.917 6.387 5.384 1.00 0.00 N ATOM 557 CA ILE A 39 0.500 5.042 5.010 1.00 0.00 C ATOM 558 C ILE A 39 -0.750 4.621 5.776 1.00 0.00 C ATOM 559 O ILE A 39 -1.430 3.667 5.398 1.00 0.00 O ATOM 560 CB ILE A 39 1.617 4.014 5.268 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.332 2.716 4.509 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.753 3.743 6.759 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.262 2.896 3.009 1.00 0.00 C ATOM 0 H ILE A 39 1.680 6.419 6.061 1.00 0.00 H new ATOM 0 HA ILE A 39 0.279 5.066 3.943 1.00 0.00 H new ATOM 0 HB ILE A 39 2.559 4.425 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.110 1.989 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.389 2.298 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.546 3.014 6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.998 4.671 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.812 3.350 7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.057 1.935 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.465 3.598 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.213 3.284 2.644 1.00 0.00 H new ATOM 575 N ARG A 40 -1.047 5.340 6.853 1.00 0.00 N ATOM 576 CA ARG A 40 -2.216 5.042 7.672 1.00 0.00 C ATOM 577 C ARG A 40 -3.498 5.479 6.969 1.00 0.00 C ATOM 578 O ARG A 40 -4.494 4.755 6.965 1.00 0.00 O ATOM 579 CB ARG A 40 -2.104 5.737 9.030 1.00 0.00 C ATOM 580 CG ARG A 40 -2.944 5.087 10.118 1.00 0.00 C ATOM 581 CD ARG A 40 -2.218 3.910 10.753 1.00 0.00 C ATOM 582 NE ARG A 40 -0.944 4.308 11.344 1.00 0.00 N ATOM 583 CZ ARG A 40 0.027 3.452 11.643 1.00 0.00 C ATOM 584 NH1 ARG A 40 -0.131 2.156 11.407 1.00 0.00 N ATOM 585 NH2 ARG A 40 1.158 3.890 12.179 1.00 0.00 N ATOM 0 H ARG A 40 -0.495 6.133 7.179 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.256 3.964 7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.060 5.740 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.407 6.778 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.183 5.825 10.884 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.890 4.748 9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.851 3.465 11.521 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.044 3.142 9.999 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.791 5.298 11.538 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.999 1.815 10.995 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.616 1.501 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.283 4.886 12.362 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.902 3.231 12.408 1.00 0.00 H new ATOM 599 N LYS A 41 -3.466 6.667 6.377 1.00 0.00 N ATOM 600 CA LYS A 41 -4.624 7.202 5.670 1.00 0.00 C ATOM 601 C LYS A 41 -4.965 6.343 4.457 1.00 0.00 C ATOM 602 O LYS A 41 -6.134 6.197 4.096 1.00 0.00 O ATOM 603 CB LYS A 41 -4.358 8.643 5.229 1.00 0.00 C ATOM 604 CG LYS A 41 -3.588 8.747 3.924 1.00 0.00 C ATOM 605 CD LYS A 41 -3.545 10.178 3.414 1.00 0.00 C ATOM 606 CE LYS A 41 -2.887 10.263 2.046 1.00 0.00 C ATOM 607 NZ LYS A 41 -1.402 10.323 2.147 1.00 0.00 N ATOM 0 H LYS A 41 -2.650 7.279 6.372 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.473 7.189 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.310 9.163 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.800 9.157 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.572 8.381 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.053 8.106 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.558 10.575 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.998 10.801 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.176 9.397 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.251 11.147 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.991 10.380 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.125 11.163 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.052 9.468 2.624 1.00 0.00 H new ATOM 621 N ILE A 42 -3.939 5.775 3.832 1.00 0.00 N ATOM 622 CA ILE A 42 -4.132 4.928 2.661 1.00 0.00 C ATOM 623 C ILE A 42 -4.799 3.611 3.040 1.00 0.00 C ATOM 624 O ILE A 42 -5.819 3.232 2.464 1.00 0.00 O ATOM 625 CB ILE A 42 -2.795 4.630 1.956 1.00 0.00 C ATOM 626 CG1 ILE A 42 -2.159 5.927 1.453 1.00 0.00 C ATOM 627 CG2 ILE A 42 -3.009 3.657 0.806 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.740 5.751 0.957 1.00 0.00 C ATOM 0 H ILE A 42 -2.966 5.886 4.117 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.780 5.477 1.977 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.116 4.170 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.770 6.333 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.165 6.662 2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.056 3.456 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.424 2.725 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.701 4.092 0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.352 6.711 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.115 5.375 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.729 5.041 0.130 1.00 0.00 H new ATOM 640 N MET A 43 -4.218 2.917 4.013 1.00 0.00 N ATOM 641 CA MET A 43 -4.759 1.642 4.471 1.00 0.00 C ATOM 642 C MET A 43 -6.234 1.777 4.834 1.00 0.00 C ATOM 643 O MET A 43 -7.053 0.935 4.465 1.00 0.00 O ATOM 644 CB MET A 43 -3.969 1.133 5.678 1.00 0.00 C ATOM 645 CG MET A 43 -2.593 0.595 5.320 1.00 0.00 C ATOM 646 SD MET A 43 -1.893 -0.442 6.619 1.00 0.00 S ATOM 647 CE MET A 43 -0.743 0.699 7.381 1.00 0.00 C ATOM 0 H MET A 43 -3.373 3.216 4.500 1.00 0.00 H new ATOM 0 HA MET A 43 -4.668 0.923 3.657 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.857 1.944 6.397 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.541 0.347 6.171 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.661 0.018 4.397 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.920 1.430 5.125 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.363 0.268 8.307 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.087 0.887 6.700 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.253 1.637 7.600 1.00 0.00 H new ATOM 657 N ASP A 44 -6.566 2.839 5.560 1.00 0.00 N ATOM 658 CA ASP A 44 -7.943 3.084 5.972 1.00 0.00 C ATOM 659 C ASP A 44 -8.826 3.387 4.766 1.00 0.00 C ATOM 660 O ASP A 44 -9.973 2.946 4.698 1.00 0.00 O ATOM 661 CB ASP A 44 -8.001 4.244 6.967 1.00 0.00 C ATOM 662 CG ASP A 44 -7.863 3.782 8.404 1.00 0.00 C ATOM 663 OD1 ASP A 44 -6.715 3.643 8.875 1.00 0.00 O ATOM 664 OD2 ASP A 44 -8.904 3.558 9.059 1.00 0.00 O ATOM 0 H ASP A 44 -5.900 3.544 5.875 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.317 2.182 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.206 4.954 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.946 4.774 6.848 1.00 0.00 H new ATOM 669 N GLU A 45 -8.283 4.143 3.816 1.00 0.00 N ATOM 670 CA GLU A 45 -9.023 4.506 2.614 1.00 0.00 C ATOM 671 C GLU A 45 -9.661 3.275 1.975 1.00 0.00 C ATOM 672 O GLU A 45 -10.882 3.193 1.844 1.00 0.00 O ATOM 673 CB GLU A 45 -8.099 5.195 1.608 1.00 0.00 C ATOM 674 CG GLU A 45 -8.767 5.501 0.278 1.00 0.00 C ATOM 675 CD GLU A 45 -8.098 6.644 -0.461 1.00 0.00 C ATOM 676 OE1 GLU A 45 -7.888 7.708 0.157 1.00 0.00 O ATOM 677 OE2 GLU A 45 -7.785 6.473 -1.658 1.00 0.00 O ATOM 0 H GLU A 45 -7.334 4.515 3.856 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.815 5.197 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.731 6.125 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.231 4.560 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.749 4.609 -0.348 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.815 5.748 0.450 1.00 0.00 H new ATOM 684 N PHE A 46 -8.825 2.321 1.579 1.00 0.00 N ATOM 685 CA PHE A 46 -9.306 1.095 0.953 1.00 0.00 C ATOM 686 C PHE A 46 -9.457 -0.019 1.984 1.00 0.00 C ATOM 687 O PHE A 46 -9.777 -1.158 1.642 1.00 0.00 O ATOM 688 CB PHE A 46 -8.348 0.654 -0.156 1.00 0.00 C ATOM 689 CG PHE A 46 -7.903 1.778 -1.047 1.00 0.00 C ATOM 690 CD1 PHE A 46 -6.795 2.543 -0.719 1.00 0.00 C ATOM 691 CD2 PHE A 46 -8.594 2.071 -2.212 1.00 0.00 C ATOM 692 CE1 PHE A 46 -6.383 3.578 -1.536 1.00 0.00 C ATOM 693 CE2 PHE A 46 -8.186 3.105 -3.034 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.080 3.860 -2.695 1.00 0.00 C ATOM 0 H PHE A 46 -7.811 2.373 1.680 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.285 1.298 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.471 0.190 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.835 -0.109 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.247 2.327 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.461 1.485 -2.481 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.517 4.166 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.732 3.322 -3.940 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.761 4.669 -3.335 1.00 0.00 H new ATOM 704 N LYS A 47 -9.224 0.317 3.248 1.00 0.00 N ATOM 705 CA LYS A 47 -9.334 -0.653 4.331 1.00 0.00 C ATOM 706 C LYS A 47 -8.456 -1.871 4.061 1.00 0.00 C ATOM 707 O LYS A 47 -8.907 -3.011 4.176 1.00 0.00 O ATOM 708 CB LYS A 47 -10.790 -1.090 4.506 1.00 0.00 C ATOM 709 CG LYS A 47 -11.785 0.053 4.393 1.00 0.00 C ATOM 710 CD LYS A 47 -11.970 0.765 5.723 1.00 0.00 C ATOM 711 CE LYS A 47 -13.006 0.068 6.590 1.00 0.00 C ATOM 712 NZ LYS A 47 -14.383 0.564 6.315 1.00 0.00 N ATOM 0 H LYS A 47 -8.957 1.255 3.548 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.991 -0.176 5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.027 -1.843 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.904 -1.565 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.439 0.765 3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.745 -0.332 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.018 0.803 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.277 1.796 5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.965 -1.007 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.766 0.227 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.060 0.064 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.429 1.585 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.622 0.390 5.318 1.00 0.00 H new ATOM 726 N VAL A 48 -7.201 -1.623 3.703 1.00 0.00 N ATOM 727 CA VAL A 48 -6.259 -2.700 3.420 1.00 0.00 C ATOM 728 C VAL A 48 -5.083 -2.670 4.389 1.00 0.00 C ATOM 729 O VAL A 48 -4.927 -1.725 5.163 1.00 0.00 O ATOM 730 CB VAL A 48 -5.724 -2.613 1.978 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.828 -2.926 0.979 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.128 -1.239 1.713 1.00 0.00 C ATOM 0 H VAL A 48 -6.812 -0.685 3.602 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.803 -3.637 3.542 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.935 -3.355 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.431 -2.860 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.204 -3.934 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.641 -2.209 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.755 -1.195 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.895 -0.477 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.307 -1.059 2.407 1.00 0.00 H new ATOM 742 N ASP A 49 -4.257 -3.709 4.340 1.00 0.00 N ATOM 743 CA ASP A 49 -3.093 -3.802 5.213 1.00 0.00 C ATOM 744 C ASP A 49 -1.814 -3.971 4.398 1.00 0.00 C ATOM 745 O ASP A 49 -1.540 -5.050 3.872 1.00 0.00 O ATOM 746 CB ASP A 49 -3.250 -4.972 6.186 1.00 0.00 C ATOM 747 CG ASP A 49 -4.063 -4.601 7.411 1.00 0.00 C ATOM 748 OD1 ASP A 49 -5.058 -3.861 7.261 1.00 0.00 O ATOM 749 OD2 ASP A 49 -3.705 -5.052 8.519 1.00 0.00 O ATOM 0 H ASP A 49 -4.372 -4.499 3.705 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.021 -2.874 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.731 -5.805 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.264 -5.316 6.498 1.00 0.00 H new ATOM 754 N ILE A 50 -1.037 -2.898 4.296 1.00 0.00 N ATOM 755 CA ILE A 50 0.211 -2.928 3.545 1.00 0.00 C ATOM 756 C ILE A 50 1.361 -3.435 4.409 1.00 0.00 C ATOM 757 O ILE A 50 1.420 -3.155 5.607 1.00 0.00 O ATOM 758 CB ILE A 50 0.572 -1.535 2.997 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.606 -0.951 2.213 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.811 -1.616 2.118 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.657 0.561 2.237 1.00 0.00 C ATOM 0 H ILE A 50 -1.250 -1.997 4.724 1.00 0.00 H new ATOM 0 HA ILE A 50 0.059 -3.611 2.709 1.00 0.00 H new ATOM 0 HB ILE A 50 0.789 -0.875 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.546 -1.288 1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.536 -1.345 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.053 -0.623 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.649 -1.995 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.620 -2.288 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.516 0.905 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.748 0.906 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.257 0.963 1.799 1.00 0.00 H new ATOM 773 N ARG A 51 2.273 -4.180 3.794 1.00 0.00 N ATOM 774 CA ARG A 51 3.422 -4.725 4.507 1.00 0.00 C ATOM 775 C ARG A 51 4.712 -4.475 3.731 1.00 0.00 C ATOM 776 O ARG A 51 4.887 -4.973 2.619 1.00 0.00 O ATOM 777 CB ARG A 51 3.239 -6.225 4.741 1.00 0.00 C ATOM 778 CG ARG A 51 3.936 -6.736 5.991 1.00 0.00 C ATOM 779 CD ARG A 51 5.446 -6.586 5.888 1.00 0.00 C ATOM 780 NE ARG A 51 6.110 -6.846 7.162 1.00 0.00 N ATOM 781 CZ ARG A 51 6.021 -6.041 8.215 1.00 0.00 C ATOM 782 NH1 ARG A 51 5.298 -4.932 8.147 1.00 0.00 N ATOM 783 NH2 ARG A 51 6.655 -6.346 9.340 1.00 0.00 N ATOM 0 H ARG A 51 2.239 -4.420 2.803 1.00 0.00 H new ATOM 0 HA ARG A 51 3.493 -4.219 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.174 -6.446 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.619 -6.768 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.573 -6.188 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.683 -7.785 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.828 -7.274 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.688 -5.578 5.552 1.00 0.00 H new ATOM 0 HE ARG A 51 6.673 -7.692 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.808 -4.695 7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.232 -4.316 8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.211 -7.199 9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.586 -5.727 10.148 1.00 0.00 H new ATOM 797 N PHE A 52 5.613 -3.699 4.326 1.00 0.00 N ATOM 798 CA PHE A 52 6.886 -3.381 3.690 1.00 0.00 C ATOM 799 C PHE A 52 7.943 -4.426 4.036 1.00 0.00 C ATOM 800 O PHE A 52 7.909 -5.052 5.096 1.00 0.00 O ATOM 801 CB PHE A 52 7.364 -1.994 4.124 1.00 0.00 C ATOM 802 CG PHE A 52 6.525 -0.873 3.579 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.371 -0.474 4.232 1.00 0.00 C ATOM 804 CD2 PHE A 52 6.891 -0.219 2.413 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.596 0.556 3.732 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.121 0.812 1.909 1.00 0.00 C ATOM 807 CZ PHE A 52 4.973 1.201 2.570 1.00 0.00 C ATOM 0 H PHE A 52 5.485 -3.279 5.247 1.00 0.00 H new ATOM 0 HA PHE A 52 6.735 -3.385 2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.362 -1.942 5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.395 -1.856 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.073 -0.973 5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.788 -0.519 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.697 0.856 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.417 1.313 0.999 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.371 2.008 2.179 1.00 0.00 H new ATOM 817 N PRO A 53 8.904 -4.621 3.121 1.00 0.00 N ATOM 818 CA PRO A 53 9.988 -5.590 3.306 1.00 0.00 C ATOM 819 C PRO A 53 10.971 -5.159 4.389 1.00 0.00 C ATOM 820 O PRO A 53 11.546 -4.073 4.322 1.00 0.00 O ATOM 821 CB PRO A 53 10.677 -5.616 1.939 1.00 0.00 C ATOM 822 CG PRO A 53 10.372 -4.288 1.335 1.00 0.00 C ATOM 823 CD PRO A 53 9.006 -3.910 1.835 1.00 0.00 C ATOM 0 HA PRO A 53 9.616 -6.562 3.630 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.752 -5.767 2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.298 -6.429 1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.114 -3.546 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.388 -4.341 0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.909 -2.832 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.224 -4.220 1.141 1.00 0.00 H new ATOM 831 N GLN A 54 11.160 -6.018 5.386 1.00 0.00 N ATOM 832 CA GLN A 54 12.074 -5.725 6.484 1.00 0.00 C ATOM 833 C GLN A 54 13.525 -5.823 6.025 1.00 0.00 C ATOM 834 O GLN A 54 13.800 -6.143 4.868 1.00 0.00 O ATOM 835 CB GLN A 54 11.829 -6.686 7.649 1.00 0.00 C ATOM 836 CG GLN A 54 10.559 -6.385 8.429 1.00 0.00 C ATOM 837 CD GLN A 54 10.322 -7.367 9.559 1.00 0.00 C ATOM 838 OE1 GLN A 54 9.734 -8.430 9.359 1.00 0.00 O ATOM 839 NE2 GLN A 54 10.779 -7.015 10.755 1.00 0.00 N ATOM 0 H GLN A 54 10.693 -6.922 5.456 1.00 0.00 H new ATOM 0 HA GLN A 54 11.886 -4.705 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.776 -7.704 7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.681 -6.645 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.618 -5.376 8.836 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.707 -6.406 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.261 -6.124 10.875 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.648 -7.636 11.554 1.00 0.00 H new ATOM 848 N SER A 55 14.449 -5.546 6.938 1.00 0.00 N ATOM 849 CA SER A 55 15.873 -5.599 6.626 1.00 0.00 C ATOM 850 C SER A 55 16.298 -7.020 6.270 1.00 0.00 C ATOM 851 O SER A 55 17.363 -7.235 5.693 1.00 0.00 O ATOM 852 CB SER A 55 16.696 -5.089 7.811 1.00 0.00 C ATOM 853 OG SER A 55 16.490 -3.702 8.016 1.00 0.00 O ATOM 0 H SER A 55 14.238 -5.282 7.900 1.00 0.00 H new ATOM 0 HA SER A 55 16.055 -4.957 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 55 16.421 -5.638 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.754 -5.280 7.632 1.00 0.00 H new ATOM 0 HG SER A 55 17.025 -3.401 8.780 1.00 0.00 H new ATOM 859 N GLY A 56 15.457 -7.988 6.620 1.00 0.00 N ATOM 860 CA GLY A 56 15.763 -9.377 6.331 1.00 0.00 C ATOM 861 C GLY A 56 14.868 -9.955 5.253 1.00 0.00 C ATOM 862 O GLY A 56 14.893 -11.158 4.995 1.00 0.00 O ATOM 0 H GLY A 56 14.569 -7.835 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.804 -9.459 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.657 -9.966 7.242 1.00 0.00 H new ATOM 866 N ALA A 57 14.072 -9.097 4.623 1.00 0.00 N ATOM 867 CA ALA A 57 13.166 -9.529 3.567 1.00 0.00 C ATOM 868 C ALA A 57 13.917 -9.769 2.262 1.00 0.00 C ATOM 869 O ALA A 57 14.914 -9.111 1.961 1.00 0.00 O ATOM 870 CB ALA A 57 12.065 -8.499 3.362 1.00 0.00 C ATOM 0 H ALA A 57 14.037 -8.098 4.826 1.00 0.00 H new ATOM 0 HA ALA A 57 12.714 -10.472 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.395 -8.835 2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.501 -8.380 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.508 -7.544 3.081 1.00 0.00 H new ATOM 876 N PRO A 58 13.431 -10.734 1.467 1.00 0.00 N ATOM 877 CA PRO A 58 14.043 -11.084 0.181 1.00 0.00 C ATOM 878 C PRO A 58 13.855 -9.991 -0.866 1.00 0.00 C ATOM 879 O PRO A 58 14.763 -9.703 -1.646 1.00 0.00 O ATOM 880 CB PRO A 58 13.297 -12.355 -0.232 1.00 0.00 C ATOM 881 CG PRO A 58 11.982 -12.265 0.462 1.00 0.00 C ATOM 882 CD PRO A 58 12.247 -11.559 1.762 1.00 0.00 C ATOM 0 HA PRO A 58 15.122 -11.215 0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.171 -12.406 -1.313 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.843 -13.250 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.260 -11.715 -0.141 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.563 -13.256 0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.398 -10.948 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.440 -12.264 2.570 1.00 0.00 H new ATOM 890 N ASP A 59 12.672 -9.387 -0.877 1.00 0.00 N ATOM 891 CA ASP A 59 12.365 -8.324 -1.828 1.00 0.00 C ATOM 892 C ASP A 59 12.231 -6.981 -1.118 1.00 0.00 C ATOM 893 O ASP A 59 11.150 -6.587 -0.682 1.00 0.00 O ATOM 894 CB ASP A 59 11.076 -8.645 -2.586 1.00 0.00 C ATOM 895 CG ASP A 59 11.108 -10.018 -3.228 1.00 0.00 C ATOM 896 OD1 ASP A 59 10.975 -11.020 -2.494 1.00 0.00 O ATOM 897 OD2 ASP A 59 11.265 -10.091 -4.464 1.00 0.00 O ATOM 0 H ASP A 59 11.910 -9.615 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 59 13.189 -8.258 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.231 -8.588 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.913 -7.891 -3.356 1.00 0.00 H new ATOM 902 N PRO A 60 13.356 -6.261 -0.997 1.00 0.00 N ATOM 903 CA PRO A 60 13.391 -4.951 -0.339 1.00 0.00 C ATOM 904 C PRO A 60 12.674 -3.877 -1.149 1.00 0.00 C ATOM 905 O PRO A 60 12.562 -2.731 -0.716 1.00 0.00 O ATOM 906 CB PRO A 60 14.887 -4.641 -0.245 1.00 0.00 C ATOM 907 CG PRO A 60 15.506 -5.419 -1.354 1.00 0.00 C ATOM 908 CD PRO A 60 14.681 -6.669 -1.493 1.00 0.00 C ATOM 0 HA PRO A 60 12.884 -4.965 0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.078 -3.574 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.293 -4.939 0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.505 -4.846 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.545 -5.660 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.636 -7.007 -2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.094 -7.490 -0.907 1.00 0.00 H new ATOM 916 N ASN A 61 12.190 -4.255 -2.328 1.00 0.00 N ATOM 917 CA ASN A 61 11.483 -3.323 -3.199 1.00 0.00 C ATOM 918 C ASN A 61 10.074 -3.823 -3.502 1.00 0.00 C ATOM 919 O ASN A 61 9.400 -3.308 -4.395 1.00 0.00 O ATOM 920 CB ASN A 61 12.258 -3.124 -4.503 1.00 0.00 C ATOM 921 CG ASN A 61 12.866 -4.414 -5.017 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.184 -5.233 -5.632 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.157 -4.601 -4.765 1.00 0.00 N ATOM 0 H ASN A 61 12.275 -5.200 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 61 11.406 -2.367 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.590 -2.713 -5.260 1.00 0.00 H new ATOM 0 HB3 ASN A 61 13.049 -2.391 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.621 -5.451 -5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.684 -3.895 -4.251 1.00 0.00 H new ATOM 930 N CYS A 62 9.636 -4.830 -2.754 1.00 0.00 N ATOM 931 CA CYS A 62 8.307 -5.401 -2.943 1.00 0.00 C ATOM 932 C CYS A 62 7.506 -5.355 -1.646 1.00 0.00 C ATOM 933 O CYS A 62 8.038 -5.616 -0.567 1.00 0.00 O ATOM 934 CB CYS A 62 8.415 -6.843 -3.440 1.00 0.00 C ATOM 935 SG CYS A 62 6.931 -7.449 -4.276 1.00 0.00 S ATOM 0 H CYS A 62 10.181 -5.268 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 62 7.785 -4.805 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.260 -6.918 -4.124 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.632 -7.493 -2.592 1.00 0.00 H new ATOM 0 HG CYS A 62 7.121 -8.676 -4.661 1.00 0.00 H new ATOM 941 N VAL A 63 6.225 -5.021 -1.759 1.00 0.00 N ATOM 942 CA VAL A 63 5.350 -4.940 -0.596 1.00 0.00 C ATOM 943 C VAL A 63 4.180 -5.909 -0.720 1.00 0.00 C ATOM 944 O VAL A 63 3.730 -6.220 -1.823 1.00 0.00 O ATOM 945 CB VAL A 63 4.803 -3.513 -0.403 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.942 -2.506 -0.358 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.817 -3.167 -1.508 1.00 0.00 C ATOM 0 H VAL A 63 5.770 -4.802 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 63 5.951 -5.211 0.272 1.00 0.00 H new ATOM 0 HB VAL A 63 4.275 -3.470 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.536 -1.504 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.606 -2.745 0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.501 -2.547 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.440 -2.155 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.318 -3.226 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.985 -3.871 -1.487 1.00 0.00 H new ATOM 957 N THR A 64 3.688 -6.383 0.421 1.00 0.00 N ATOM 958 CA THR A 64 2.570 -7.318 0.440 1.00 0.00 C ATOM 959 C THR A 64 1.296 -6.640 0.931 1.00 0.00 C ATOM 960 O THR A 64 1.178 -6.293 2.107 1.00 0.00 O ATOM 961 CB THR A 64 2.869 -8.533 1.338 1.00 0.00 C ATOM 962 OG1 THR A 64 4.047 -9.204 0.876 1.00 0.00 O ATOM 963 CG2 THR A 64 1.697 -9.503 1.345 1.00 0.00 C ATOM 0 H THR A 64 4.046 -6.135 1.343 1.00 0.00 H new ATOM 0 HA THR A 64 2.426 -7.660 -0.585 1.00 0.00 H new ATOM 0 HB THR A 64 3.029 -8.175 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.232 -9.974 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.932 -10.353 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.809 -8.998 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.510 -9.855 0.330 1.00 0.00 H new ATOM 971 N VAL A 65 0.342 -6.454 0.024 1.00 0.00 N ATOM 972 CA VAL A 65 -0.925 -5.819 0.365 1.00 0.00 C ATOM 973 C VAL A 65 -2.018 -6.858 0.590 1.00 0.00 C ATOM 974 O VAL A 65 -2.316 -7.663 -0.293 1.00 0.00 O ATOM 975 CB VAL A 65 -1.379 -4.843 -0.736 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.729 -4.235 -0.389 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.335 -3.757 -0.948 1.00 0.00 C ATOM 0 H VAL A 65 0.423 -6.734 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.761 -5.263 1.288 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.487 -5.399 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.033 -3.548 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.471 -5.028 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.652 -3.693 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.672 -3.076 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.193 -3.203 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.609 -4.213 -1.246 1.00 0.00 H new ATOM 987 N THR A 66 -2.614 -6.835 1.778 1.00 0.00 N ATOM 988 CA THR A 66 -3.674 -7.775 2.120 1.00 0.00 C ATOM 989 C THR A 66 -5.049 -7.138 1.955 1.00 0.00 C ATOM 990 O THR A 66 -5.177 -5.915 1.924 1.00 0.00 O ATOM 991 CB THR A 66 -3.527 -8.286 3.565 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.146 -8.518 3.865 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.318 -9.569 3.769 1.00 0.00 C ATOM 0 H THR A 66 -2.380 -6.175 2.520 1.00 0.00 H new ATOM 0 HA THR A 66 -3.583 -8.617 1.434 1.00 0.00 H new ATOM 0 HB THR A 66 -3.921 -7.524 4.238 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.061 -8.841 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.199 -9.910 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.373 -9.382 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.950 -10.336 3.087 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.076 -7.975 1.850 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.428 -7.474 1.690 1.00 0.00 C ATOM 1003 C GLY A 67 -8.109 -8.026 0.453 1.00 0.00 C ATOM 1004 O GLY A 67 -7.457 -8.605 -0.417 1.00 0.00 O ATOM 0 H GLY A 67 -5.996 -8.992 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.015 -7.734 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.404 -6.386 1.633 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.423 -7.849 0.374 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.193 -8.335 -0.765 1.00 0.00 C ATOM 1010 C LEU A 68 -9.488 -8.010 -2.078 1.00 0.00 C ATOM 1011 O LEU A 68 -8.749 -7.032 -2.188 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.593 -7.719 -0.759 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.574 -8.290 0.265 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.783 -9.779 0.031 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.076 -8.035 1.680 1.00 0.00 C ATOM 0 H LEU A 68 -9.977 -7.372 1.085 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.279 -9.418 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.496 -6.648 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.025 -7.839 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.533 -7.786 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.484 -10.168 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.185 -9.937 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.830 -10.300 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.787 -8.448 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.105 -8.512 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.979 -6.962 1.844 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.722 -8.848 -3.099 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.120 -8.669 -4.424 1.00 0.00 C ATOM 1029 C PRO A 69 -9.686 -7.459 -5.159 1.00 0.00 C ATOM 1030 O PRO A 69 -9.057 -6.928 -6.073 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.487 -9.961 -5.157 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.723 -10.444 -4.479 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.592 -10.035 -3.039 1.00 0.00 C ATOM 0 HA PRO A 69 -8.047 -8.487 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.663 -9.778 -6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.685 -10.696 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.613 -10.004 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.821 -11.526 -4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.561 -9.801 -2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.150 -10.827 -2.435 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.877 -7.030 -4.753 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.527 -5.882 -5.375 1.00 0.00 C ATOM 1043 C GLU A 70 -11.057 -4.579 -4.736 1.00 0.00 C ATOM 1044 O GLU A 70 -11.006 -3.538 -5.390 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.048 -6.003 -5.255 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.549 -5.985 -3.820 1.00 0.00 C ATOM 1047 CD GLU A 70 -15.012 -6.366 -3.708 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.871 -5.537 -4.076 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.299 -7.493 -3.253 1.00 0.00 O ATOM 0 H GLU A 70 -11.411 -7.459 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.253 -5.868 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.514 -5.184 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.369 -6.929 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.951 -6.673 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.404 -4.989 -3.401 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.716 -4.644 -3.453 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.252 -3.469 -2.725 1.00 0.00 C ATOM 1058 C ASN A 71 -8.757 -3.253 -2.938 1.00 0.00 C ATOM 1059 O ASN A 71 -8.296 -2.119 -3.070 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.548 -3.619 -1.231 1.00 0.00 C ATOM 1061 CG ASN A 71 -12.009 -3.375 -0.904 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.751 -2.813 -1.710 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.428 -3.797 0.283 1.00 0.00 N ATOM 0 H ASN A 71 -10.752 -5.498 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.786 -2.600 -3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.268 -4.621 -0.907 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.931 -2.918 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.400 -3.660 0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.777 -4.258 0.919 1.00 0.00 H new ATOM 1070 N VAL A 72 -8.005 -4.348 -2.972 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.562 -4.279 -3.172 1.00 0.00 C ATOM 1072 C VAL A 72 -6.223 -3.626 -4.507 1.00 0.00 C ATOM 1073 O VAL A 72 -5.468 -2.656 -4.560 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.920 -5.678 -3.118 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.462 -5.613 -3.545 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -6.050 -6.271 -1.724 1.00 0.00 C ATOM 0 H VAL A 72 -8.371 -5.294 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.159 -3.672 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.449 -6.328 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.025 -6.611 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.398 -5.234 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.916 -4.948 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.591 -7.259 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.548 -5.624 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.105 -6.356 -1.461 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.786 -4.166 -5.583 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.543 -3.636 -6.920 1.00 0.00 C ATOM 1088 C GLU A 73 -6.585 -2.110 -6.916 1.00 0.00 C ATOM 1089 O GLU A 73 -5.756 -1.455 -7.546 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.576 -4.183 -7.906 1.00 0.00 C ATOM 1091 CG GLU A 73 -9.014 -3.952 -7.472 1.00 0.00 C ATOM 1092 CD GLU A 73 -10.018 -4.414 -8.510 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -10.042 -5.624 -8.816 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.780 -3.564 -9.017 1.00 0.00 O ATOM 0 H GLU A 73 -7.413 -4.970 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.549 -3.954 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.420 -3.717 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.412 -5.253 -8.035 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.196 -4.480 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.164 -2.891 -7.274 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.558 -1.553 -6.201 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.710 -0.105 -6.116 1.00 0.00 C ATOM 1103 C GLU A 74 -6.527 0.524 -5.385 1.00 0.00 C ATOM 1104 O GLU A 74 -5.920 1.478 -5.871 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.014 0.252 -5.401 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.255 -0.283 -6.095 1.00 0.00 C ATOM 1107 CD GLU A 74 -11.479 0.578 -5.848 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -11.368 1.816 -5.966 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -12.548 0.013 -5.535 1.00 0.00 O ATOM 0 H GLU A 74 -8.252 -2.082 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.741 0.292 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.980 -0.139 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.091 1.337 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.069 -0.344 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.453 -1.297 -5.747 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.206 -0.018 -4.215 1.00 0.00 N ATOM 1117 CA ALA A 75 -5.096 0.488 -3.417 1.00 0.00 C ATOM 1118 C ALA A 75 -3.825 0.596 -4.252 1.00 0.00 C ATOM 1119 O ALA A 75 -3.242 1.674 -4.377 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.863 -0.407 -2.209 1.00 0.00 C ATOM 0 H ALA A 75 -6.699 -0.808 -3.799 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.357 1.488 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.031 -0.017 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.762 -0.429 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.628 -1.417 -2.544 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.399 -0.527 -4.821 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.196 -0.558 -5.644 1.00 0.00 C ATOM 1128 C ILE A 76 -2.116 0.669 -6.545 1.00 0.00 C ATOM 1129 O ILE A 76 -1.107 1.375 -6.561 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.143 -1.826 -6.516 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.152 -3.077 -5.636 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.909 -1.806 -7.405 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.097 -4.369 -6.421 1.00 0.00 C ATOM 0 H ILE A 76 -3.869 -1.427 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.346 -0.561 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.026 -1.847 -7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.302 -3.039 -4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.052 -3.073 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.886 -2.709 -8.015 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.942 -0.930 -8.053 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.014 -1.764 -6.784 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.107 -5.214 -5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.961 -4.430 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.183 -4.395 -7.015 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.185 0.919 -7.292 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.237 2.063 -8.195 1.00 0.00 C ATOM 1147 C ASP A 77 -2.819 3.342 -7.476 1.00 0.00 C ATOM 1148 O ASP A 77 -2.093 4.169 -8.029 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.646 2.224 -8.768 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.683 3.162 -9.959 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.830 3.014 -10.859 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.566 4.045 -9.990 1.00 0.00 O ATOM 0 H ASP A 77 -4.028 0.345 -7.290 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.539 1.881 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.028 1.248 -9.066 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.310 2.602 -7.991 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.282 3.499 -6.240 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.956 4.677 -5.445 1.00 0.00 C ATOM 1159 C HIS A 78 -1.495 4.648 -5.004 1.00 0.00 C ATOM 1160 O HIS A 78 -0.835 5.686 -4.942 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.868 4.762 -4.221 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.500 5.861 -3.273 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.329 6.928 -2.999 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.383 6.054 -2.533 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.738 7.731 -2.132 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.556 7.223 -1.833 1.00 0.00 N ATOM 0 H HIS A 78 -3.884 2.825 -5.767 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.113 5.558 -6.067 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.895 4.910 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.839 3.811 -3.690 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.254 7.075 -3.403 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.517 5.409 -2.499 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.151 8.647 -1.735 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.998 3.455 -4.698 1.00 0.00 N ATOM 1175 CA ILE A 79 0.383 3.291 -4.263 1.00 0.00 C ATOM 1176 C ILE A 79 1.357 3.665 -5.376 1.00 0.00 C ATOM 1177 O ILE A 79 2.127 4.618 -5.248 1.00 0.00 O ATOM 1178 CB ILE A 79 0.665 1.846 -3.814 1.00 0.00 C ATOM 1179 CG1 ILE A 79 -0.226 1.474 -2.627 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.134 1.680 -3.453 1.00 0.00 C ATOM 1181 CD1 ILE A 79 -0.048 0.047 -2.161 1.00 0.00 C ATOM 0 H ILE A 79 -1.532 2.587 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 79 0.528 3.960 -3.415 1.00 0.00 H new ATOM 0 HB ILE A 79 0.436 1.174 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.012 2.148 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.269 1.630 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.317 0.653 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.750 1.908 -4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.388 2.360 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.711 -0.146 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.291 -0.635 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.986 -0.109 -1.853 1.00 0.00 H new ATOM 1193 N LEU A 80 1.317 2.910 -6.468 1.00 0.00 N ATOM 1194 CA LEU A 80 2.195 3.163 -7.605 1.00 0.00 C ATOM 1195 C LEU A 80 2.110 4.621 -8.046 1.00 0.00 C ATOM 1196 O LEU A 80 3.108 5.218 -8.444 1.00 0.00 O ATOM 1197 CB LEU A 80 1.829 2.243 -8.771 1.00 0.00 C ATOM 1198 CG LEU A 80 2.490 0.864 -8.772 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.708 -0.102 -9.648 1.00 0.00 C ATOM 1200 CD2 LEU A 80 3.933 0.965 -9.242 1.00 0.00 C ATOM 0 H LEU A 80 0.686 2.118 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 80 3.219 2.957 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.748 2.105 -8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.088 2.748 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 80 2.487 0.480 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.193 -1.078 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.691 -0.198 -9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.678 0.276 -10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.388 -0.026 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.959 1.370 -10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.488 1.623 -8.573 1.00 0.00 H new ATOM 1212 N ASN A 81 0.910 5.187 -7.969 1.00 0.00 N ATOM 1213 CA ASN A 81 0.694 6.576 -8.359 1.00 0.00 C ATOM 1214 C ASN A 81 1.687 7.498 -7.658 1.00 0.00 C ATOM 1215 O ASN A 81 2.291 8.370 -8.285 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.737 7.004 -8.028 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.887 8.511 -7.950 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.155 9.253 -8.605 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.838 8.970 -7.146 1.00 0.00 N ATOM 0 H ASN A 81 0.073 4.706 -7.640 1.00 0.00 H new ATOM 0 HA ASN A 81 0.850 6.654 -9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.415 6.613 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.034 6.562 -7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.985 9.975 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.421 8.318 -6.622 1.00 0.00 H new ATOM 1226 N LEU A 82 1.852 7.299 -6.355 1.00 0.00 N ATOM 1227 CA LEU A 82 2.773 8.112 -5.568 1.00 0.00 C ATOM 1228 C LEU A 82 4.222 7.784 -5.914 1.00 0.00 C ATOM 1229 O LEU A 82 5.069 8.673 -5.983 1.00 0.00 O ATOM 1230 CB LEU A 82 2.531 7.890 -4.074 1.00 0.00 C ATOM 1231 CG LEU A 82 1.102 8.123 -3.583 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.936 7.615 -2.159 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.742 9.599 -3.670 1.00 0.00 C ATOM 0 H LEU A 82 1.360 6.582 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 82 2.590 9.159 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.816 6.867 -3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.197 8.549 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 82 0.422 7.565 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.088 7.790 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.151 6.547 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.626 8.144 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.279 9.746 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.427 10.178 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.819 9.932 -4.705 1.00 0.00 H new ATOM 1245 N GLU A 83 4.497 6.502 -6.133 1.00 0.00 N ATOM 1246 CA GLU A 83 5.843 6.058 -6.474 1.00 0.00 C ATOM 1247 C GLU A 83 6.484 6.996 -7.493 1.00 0.00 C ATOM 1248 O GLU A 83 7.524 7.598 -7.229 1.00 0.00 O ATOM 1249 CB GLU A 83 5.809 4.632 -7.028 1.00 0.00 C ATOM 1250 CG GLU A 83 7.173 4.106 -7.440 1.00 0.00 C ATOM 1251 CD GLU A 83 7.085 3.000 -8.473 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.223 3.097 -9.373 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.875 2.038 -8.383 1.00 0.00 O ATOM 0 H GLU A 83 3.806 5.753 -6.080 1.00 0.00 H new ATOM 0 HA GLU A 83 6.444 6.073 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.386 3.968 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.142 4.602 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.768 4.926 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.696 3.734 -6.559 1.00 0.00 H new ATOM 1260 N GLU A 84 5.855 7.113 -8.658 1.00 0.00 N ATOM 1261 CA GLU A 84 6.364 7.976 -9.717 1.00 0.00 C ATOM 1262 C GLU A 84 6.578 9.397 -9.205 1.00 0.00 C ATOM 1263 O GLU A 84 7.641 9.985 -9.401 1.00 0.00 O ATOM 1264 CB GLU A 84 5.398 7.989 -10.904 1.00 0.00 C ATOM 1265 CG GLU A 84 5.846 8.888 -12.044 1.00 0.00 C ATOM 1266 CD GLU A 84 4.689 9.372 -12.895 1.00 0.00 C ATOM 1267 OE1 GLU A 84 4.145 8.562 -13.674 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.327 10.562 -12.782 1.00 0.00 O ATOM 0 H GLU A 84 4.993 6.621 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 84 7.324 7.578 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.282 6.972 -11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.417 8.315 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.377 9.748 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.553 8.346 -12.673 1.00 0.00 H new ATOM 1275 N GLU A 85 5.559 9.943 -8.549 1.00 0.00 N ATOM 1276 CA GLU A 85 5.635 11.296 -8.010 1.00 0.00 C ATOM 1277 C GLU A 85 6.930 11.498 -7.229 1.00 0.00 C ATOM 1278 O GLU A 85 7.709 12.405 -7.522 1.00 0.00 O ATOM 1279 CB GLU A 85 4.432 11.577 -7.107 1.00 0.00 C ATOM 1280 CG GLU A 85 4.519 12.905 -6.373 1.00 0.00 C ATOM 1281 CD GLU A 85 4.295 14.093 -7.288 1.00 0.00 C ATOM 1282 OE1 GLU A 85 5.138 14.321 -8.181 1.00 0.00 O ATOM 1283 OE2 GLU A 85 3.277 14.795 -7.112 1.00 0.00 O ATOM 0 H GLU A 85 4.672 9.470 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 85 5.623 11.995 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.524 11.564 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.341 10.773 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.779 12.923 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.499 12.993 -5.903 1.00 0.00 H new ATOM 1290 N TYR A 86 7.152 10.648 -6.232 1.00 0.00 N ATOM 1291 CA TYR A 86 8.350 10.735 -5.406 1.00 0.00 C ATOM 1292 C TYR A 86 9.607 10.538 -6.248 1.00 0.00 C ATOM 1293 O TYR A 86 10.565 11.306 -6.144 1.00 0.00 O ATOM 1294 CB TYR A 86 8.302 9.690 -4.290 1.00 0.00 C ATOM 1295 CG TYR A 86 7.248 9.972 -3.243 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.234 11.175 -2.549 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.266 9.034 -2.948 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.274 11.436 -1.590 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.301 9.287 -1.992 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.309 10.489 -1.316 1.00 0.00 C ATOM 1301 OH TYR A 86 4.350 10.745 -0.363 1.00 0.00 O ATOM 0 H TYR A 86 6.518 9.891 -5.977 1.00 0.00 H new ATOM 0 HA TYR A 86 8.383 11.730 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.114 8.710 -4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.278 9.641 -3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.987 11.920 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.257 8.091 -3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.279 12.376 -1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.544 8.547 -1.775 1.00 0.00 H new ATOM 0 HH TYR A 86 4.649 10.398 0.503 1.00 0.00 H new ATOM 1311 N LEU A 87 9.597 9.504 -7.082 1.00 0.00 N ATOM 1312 CA LEU A 87 10.736 9.205 -7.944 1.00 0.00 C ATOM 1313 C LEU A 87 11.145 10.433 -8.751 1.00 0.00 C ATOM 1314 O LEU A 87 12.326 10.640 -9.030 1.00 0.00 O ATOM 1315 CB LEU A 87 10.397 8.050 -8.887 1.00 0.00 C ATOM 1316 CG LEU A 87 10.344 6.659 -8.254 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.757 5.651 -9.229 1.00 0.00 C ATOM 1318 CD2 LEU A 87 11.731 6.225 -7.804 1.00 0.00 C ATOM 0 H LEU A 87 8.813 8.859 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 87 11.574 8.914 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.430 8.255 -9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.135 8.034 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 87 9.698 6.704 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.727 4.667 -8.761 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.746 5.954 -9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.376 5.608 -10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.674 5.233 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.400 6.197 -8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.113 6.934 -7.069 1.00 0.00 H new ATOM 1330 N ALA A 88 10.161 11.246 -9.122 1.00 0.00 N ATOM 1331 CA ALA A 88 10.419 12.456 -9.893 1.00 0.00 C ATOM 1332 C ALA A 88 11.514 13.297 -9.245 1.00 0.00 C ATOM 1333 O ALA A 88 12.216 14.048 -9.923 1.00 0.00 O ATOM 1334 CB ALA A 88 9.142 13.270 -10.040 1.00 0.00 C ATOM 0 H ALA A 88 9.178 11.088 -8.901 1.00 0.00 H new ATOM 0 HA ALA A 88 10.764 12.160 -10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.349 14.171 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.388 12.674 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.773 13.549 -9.053 1.00 0.00 H new ATOM 1340 N ASP A 89 11.653 13.167 -7.931 1.00 0.00 N ATOM 1341 CA ASP A 89 12.663 13.915 -7.191 1.00 0.00 C ATOM 1342 C ASP A 89 13.931 13.085 -7.011 1.00 0.00 C ATOM 1343 O ASP A 89 14.335 12.788 -5.887 1.00 0.00 O ATOM 1344 CB ASP A 89 12.118 14.338 -5.826 1.00 0.00 C ATOM 1345 CG ASP A 89 11.403 15.674 -5.878 1.00 0.00 C ATOM 1346 OD1 ASP A 89 12.088 16.709 -6.011 1.00 0.00 O ATOM 1347 OD2 ASP A 89 10.157 15.685 -5.783 1.00 0.00 O ATOM 0 H ASP A 89 11.079 12.551 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 89 12.912 14.807 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.431 13.575 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.939 14.396 -5.112 1.00 0.00 H new ATOM 1352 N SER A 90 14.552 12.714 -8.126 1.00 0.00 N ATOM 1353 CA SER A 90 15.771 11.914 -8.091 1.00 0.00 C ATOM 1354 C SER A 90 16.884 12.651 -7.352 1.00 0.00 C ATOM 1355 O SER A 90 17.594 12.068 -6.534 1.00 0.00 O ATOM 1356 CB SER A 90 16.225 11.576 -9.513 1.00 0.00 C ATOM 1357 OG SER A 90 15.529 10.448 -10.015 1.00 0.00 O ATOM 0 H SER A 90 14.232 12.954 -9.064 1.00 0.00 H new ATOM 0 HA SER A 90 15.554 10.989 -7.556 1.00 0.00 H new ATOM 0 HB2 SER A 90 16.055 12.432 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.297 11.378 -9.519 1.00 0.00 H new ATOM 0 HG SER A 90 14.591 10.490 -9.733 1.00 0.00 H new ATOM 1363 N GLY A 91 17.029 13.940 -7.647 1.00 0.00 N ATOM 1364 CA GLY A 91 18.057 14.736 -7.002 1.00 0.00 C ATOM 1365 C GLY A 91 18.391 15.992 -7.783 1.00 0.00 C ATOM 1366 O GLY A 91 17.765 17.039 -7.613 1.00 0.00 O ATOM 0 H GLY A 91 16.454 14.446 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 91 17.725 15.011 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.958 14.134 -6.884 1.00 0.00 H new ATOM 1370 N PRO A 92 19.401 15.897 -8.660 1.00 0.00 N ATOM 1371 CA PRO A 92 19.841 17.026 -9.486 1.00 0.00 C ATOM 1372 C PRO A 92 18.818 17.396 -10.555 1.00 0.00 C ATOM 1373 O PRO A 92 18.766 18.539 -11.009 1.00 0.00 O ATOM 1374 CB PRO A 92 21.128 16.511 -10.134 1.00 0.00 C ATOM 1375 CG PRO A 92 20.979 15.028 -10.146 1.00 0.00 C ATOM 1376 CD PRO A 92 20.191 14.681 -8.914 1.00 0.00 C ATOM 0 HA PRO A 92 19.977 17.933 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 92 21.248 16.905 -11.143 1.00 0.00 H new ATOM 0 HB3 PRO A 92 22.007 16.816 -9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 92 20.462 14.695 -11.046 1.00 0.00 H new ATOM 0 HG3 PRO A 92 21.953 14.538 -10.137 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.552 13.813 -9.077 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.843 14.443 -8.074 1.00 0.00 H new ATOM 1384 N SER A 93 18.005 16.422 -10.952 1.00 0.00 N ATOM 1385 CA SER A 93 16.985 16.644 -11.970 1.00 0.00 C ATOM 1386 C SER A 93 15.912 17.603 -11.463 1.00 0.00 C ATOM 1387 O SER A 93 15.573 18.581 -12.130 1.00 0.00 O ATOM 1388 CB SER A 93 16.346 15.317 -12.380 1.00 0.00 C ATOM 1389 OG SER A 93 15.688 14.707 -11.284 1.00 0.00 O ATOM 0 H SER A 93 18.033 15.471 -10.584 1.00 0.00 H new ATOM 0 HA SER A 93 17.466 17.091 -12.840 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.633 15.487 -13.187 1.00 0.00 H new ATOM 0 HB3 SER A 93 17.112 14.645 -12.768 1.00 0.00 H new ATOM 0 HG SER A 93 15.155 13.949 -11.603 1.00 0.00 H new ATOM 1395 N SER A 94 15.382 17.316 -10.279 1.00 0.00 N ATOM 1396 CA SER A 94 14.344 18.149 -9.683 1.00 0.00 C ATOM 1397 C SER A 94 14.960 19.273 -8.854 1.00 0.00 C ATOM 1398 O SER A 94 15.753 19.027 -7.947 1.00 0.00 O ATOM 1399 CB SER A 94 13.419 17.302 -8.808 1.00 0.00 C ATOM 1400 OG SER A 94 12.523 16.542 -9.600 1.00 0.00 O ATOM 0 H SER A 94 15.654 16.512 -9.713 1.00 0.00 H new ATOM 0 HA SER A 94 13.761 18.593 -10.490 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.014 16.635 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.856 17.949 -8.136 1.00 0.00 H new ATOM 0 HG SER A 94 12.892 15.645 -9.742 1.00 0.00 H new ATOM 1406 N GLY A 95 14.586 20.508 -9.173 1.00 0.00 N ATOM 1407 CA GLY A 95 15.110 21.652 -8.450 1.00 0.00 C ATOM 1408 C GLY A 95 14.645 22.971 -9.034 1.00 0.00 C ATOM 1409 O GLY A 95 14.820 23.226 -10.225 1.00 0.00 O ATOM 0 H GLY A 95 13.929 20.737 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.800 21.591 -7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.199 21.617 -8.462 1.00 0.00 H new TER 1413 GLY A 95