USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 435 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 45 HIS : no HD1:sc=-0.00665 X(o=1.2,f=1.2) USER MOD Set 1.2: A 66 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Set 2.1: A 51 THR OG1 : rot 172:sc= 2.33 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 170:sc= 1.03 (180deg=-0.249) USER MOD Set 3.1: A 17 HIS : no HE2:sc= -0.374 X(o=-0.74,f=-0.49) USER MOD Set 3.2: A 30 HIS : no HD1:sc= -0.362 X(o=-0.74,f=-0.84) USER MOD Set 4.1: A 20 HIS : no HE2:sc= 0.8 K(o=0.79,f=-4.3!) USER MOD Set 4.2: A 53 HIS : no HD1:sc= -0.0104 X(o=0.79,f=0.8) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.65 K(o=1.6,f=-9.7!) USER MOD Single : A 12 ASN : amide:sc=-0.00493 X(o=-0.0049,f=-0.49) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.861) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 150:sc= 1.15 (180deg=1.05) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.23) USER MOD Single : A 52 CYS SG : rot -41:sc= 0.0858 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.0573 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -8.424 -10.997 -1.711 1.00 10.00 N ATOM 14 CA ASP A 2 -7.575 -11.122 -0.531 1.00 10.00 C ATOM 15 C ASP A 2 -6.216 -10.424 -0.764 1.00 10.00 C ATOM 16 O ASP A 2 -5.886 -9.438 -0.109 1.00 10.00 O ATOM 17 CB ASP A 2 -7.464 -12.628 -0.258 1.00 10.00 C ATOM 18 CG ASP A 2 -6.716 -12.913 1.025 1.00 10.00 C ATOM 19 OD1 ASP A 2 -5.496 -12.652 1.025 1.00 10.00 O ATOM 20 OD2 ASP A 2 -7.398 -13.334 1.982 1.00 10.00 O ATOM 0 HA ASP A 2 -7.990 -10.624 0.345 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.462 -13.061 -0.200 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -6.954 -13.112 -1.091 1.00 10.00 H new ATOM 25 N VAL A 3 -5.487 -10.866 -1.789 1.00 10.00 N ATOM 26 CA VAL A 3 -4.445 -10.085 -2.450 1.00 10.00 C ATOM 27 C VAL A 3 -5.058 -9.410 -3.688 1.00 10.00 C ATOM 28 O VAL A 3 -5.999 -9.945 -4.286 1.00 10.00 O ATOM 29 CB VAL A 3 -3.265 -11.012 -2.804 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.169 -10.284 -3.596 1.00 10.00 C ATOM 31 CG2 VAL A 3 -2.637 -11.580 -1.524 1.00 10.00 C ATOM 0 H VAL A 3 -5.608 -11.796 -2.190 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.056 -9.303 -1.797 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.670 -11.811 -3.425 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.360 -10.979 -3.821 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.587 -9.900 -4.526 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.781 -9.456 -3.003 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.805 -12.233 -1.786 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.274 -10.761 -0.903 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.386 -12.149 -0.973 1.00 10.00 H new ATOM 41 N VAL A 4 -4.563 -8.225 -4.058 1.00 10.00 N ATOM 42 CA VAL A 4 -4.938 -7.532 -5.297 1.00 10.00 C ATOM 43 C VAL A 4 -3.803 -7.580 -6.338 1.00 10.00 C ATOM 44 O VAL A 4 -4.033 -8.021 -7.458 1.00 10.00 O ATOM 45 CB VAL A 4 -5.416 -6.098 -5.008 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.990 -5.444 -6.272 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.479 -6.064 -3.903 1.00 10.00 C ATOM 0 H VAL A 4 -3.881 -7.712 -3.499 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.782 -8.063 -5.738 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.542 -5.540 -4.672 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.320 -4.432 -6.040 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.221 -5.407 -7.044 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.837 -6.028 -6.632 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.790 -5.034 -3.729 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.341 -6.657 -4.209 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.062 -6.477 -2.984 1.00 10.00 H new ATOM 57 N THR A 5 -2.585 -7.155 -5.967 1.00 10.00 N ATOM 58 CA THR A 5 -1.377 -7.188 -6.816 1.00 10.00 C ATOM 59 C THR A 5 -1.461 -6.363 -8.122 1.00 10.00 C ATOM 60 O THR A 5 -2.045 -6.773 -9.119 1.00 10.00 O ATOM 61 CB THR A 5 -0.895 -8.642 -7.006 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.115 -8.991 -5.881 1.00 10.00 O ATOM 63 CG2 THR A 5 -0.020 -8.886 -8.234 1.00 10.00 C ATOM 0 H THR A 5 -2.405 -6.767 -5.041 1.00 10.00 H new ATOM 0 HA THR A 5 -0.600 -6.652 -6.271 1.00 10.00 H new ATOM 0 HB THR A 5 -1.799 -9.237 -7.134 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.203 -9.913 -5.977 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.265 -9.937 -8.275 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.576 -8.625 -9.135 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.877 -8.270 -8.170 1.00 10.00 H new ATOM 71 N TYR A 6 -0.817 -5.188 -8.130 1.00 10.00 N ATOM 72 CA TYR A 6 -0.748 -4.296 -9.291 1.00 10.00 C ATOM 73 C TYR A 6 0.396 -4.673 -10.246 1.00 10.00 C ATOM 74 O TYR A 6 1.508 -4.146 -10.154 1.00 10.00 O ATOM 75 CB TYR A 6 -0.615 -2.844 -8.813 1.00 10.00 C ATOM 76 CG TYR A 6 -1.919 -2.089 -8.620 1.00 10.00 C ATOM 77 CD1 TYR A 6 -3.073 -2.714 -8.102 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.942 -0.711 -8.891 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.229 -1.951 -7.839 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.075 0.052 -8.585 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.229 -0.566 -8.082 1.00 10.00 C ATOM 82 OH TYR A 6 -5.278 0.216 -7.712 1.00 10.00 O ATOM 0 H TYR A 6 -0.322 -4.826 -7.315 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.672 -4.405 -9.859 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.072 -2.841 -7.868 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.005 -2.299 -9.533 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -3.071 -3.776 -7.907 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.081 -0.237 -9.338 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.115 -2.431 -7.451 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.060 1.121 -8.737 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.097 1.146 -7.962 1.00 10.00 H new ATOM 92 N GLU A 7 0.106 -5.574 -11.183 1.00 10.00 N ATOM 93 CA GLU A 7 1.028 -6.016 -12.222 1.00 10.00 C ATOM 94 C GLU A 7 1.226 -4.932 -13.295 1.00 10.00 C ATOM 95 O GLU A 7 0.404 -4.789 -14.196 1.00 10.00 O ATOM 96 CB GLU A 7 0.511 -7.332 -12.815 1.00 10.00 C ATOM 97 CG GLU A 7 0.183 -8.339 -11.712 1.00 10.00 C ATOM 98 CD GLU A 7 -0.002 -9.754 -12.236 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.025 -9.978 -12.917 1.00 10.00 O ATOM 100 OE2 GLU A 7 0.890 -10.579 -11.942 1.00 10.00 O ATOM 0 H GLU A 7 -0.805 -6.029 -11.240 1.00 10.00 H new ATOM 0 HA GLU A 7 2.012 -6.191 -11.787 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.379 -7.140 -13.414 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.261 -7.753 -13.485 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.984 -8.333 -10.972 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.727 -8.025 -11.200 1.00 10.00 H new ATOM 107 N ASN A 8 2.313 -4.159 -13.186 1.00 10.00 N ATOM 108 CA ASN A 8 2.620 -3.061 -14.103 1.00 10.00 C ATOM 109 C ASN A 8 3.541 -3.524 -15.247 1.00 10.00 C ATOM 110 O ASN A 8 3.072 -3.874 -16.326 1.00 10.00 O ATOM 111 CB ASN A 8 3.160 -1.855 -13.309 1.00 10.00 C ATOM 112 CG ASN A 8 4.186 -2.223 -12.236 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.384 -2.306 -12.505 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.735 -2.525 -11.025 1.00 10.00 N ATOM 0 H ASN A 8 3.009 -4.281 -12.451 1.00 10.00 H new ATOM 0 HA ASN A 8 1.707 -2.729 -14.596 1.00 10.00 H new ATOM 0 HB2 ASN A 8 3.615 -1.150 -14.005 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.323 -1.341 -12.836 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.385 -2.831 -10.301 1.00 10.00 H new ATOM 0 HD22 ASN A 8 2.739 -2.451 -10.819 1.00 10.00 H new ATOM 121 N ALA A 9 4.854 -3.521 -15.006 1.00 10.00 N ATOM 122 CA ALA A 9 5.900 -3.749 -15.999 1.00 10.00 C ATOM 123 C ALA A 9 7.279 -3.771 -15.328 1.00 10.00 C ATOM 124 O ALA A 9 8.094 -4.651 -15.590 1.00 10.00 O ATOM 125 CB ALA A 9 5.855 -2.625 -17.036 1.00 10.00 C ATOM 0 H ALA A 9 5.231 -3.352 -14.073 1.00 10.00 H new ATOM 0 HA ALA A 9 5.732 -4.712 -16.482 1.00 10.00 H new ATOM 0 HB1 ALA A 9 6.633 -2.787 -17.782 1.00 10.00 H new ATOM 0 HB2 ALA A 9 4.880 -2.619 -17.524 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.020 -1.667 -16.542 1.00 10.00 H new ATOM 131 N ALA A 10 7.536 -2.795 -14.449 1.00 10.00 N ATOM 132 CA ALA A 10 8.804 -2.666 -13.735 1.00 10.00 C ATOM 133 C ALA A 10 8.924 -3.704 -12.612 1.00 10.00 C ATOM 134 O ALA A 10 9.995 -4.255 -12.375 1.00 10.00 O ATOM 135 CB ALA A 10 8.916 -1.241 -13.184 1.00 10.00 C ATOM 0 H ALA A 10 6.861 -2.068 -14.214 1.00 10.00 H new ATOM 0 HA ALA A 10 9.625 -2.855 -14.426 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.859 -1.131 -12.648 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.882 -0.528 -14.008 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.087 -1.048 -12.503 1.00 10.00 H new ATOM 141 N GLY A 11 7.817 -3.947 -11.907 1.00 10.00 N ATOM 142 CA GLY A 11 7.751 -4.875 -10.783 1.00 10.00 C ATOM 143 C GLY A 11 6.364 -4.797 -10.154 1.00 10.00 C ATOM 144 O GLY A 11 5.930 -3.705 -9.784 1.00 10.00 O ATOM 0 H GLY A 11 6.926 -3.494 -12.108 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.954 -5.891 -11.122 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.513 -4.627 -10.045 1.00 10.00 H new ATOM 148 N ASN A 12 5.641 -5.911 -10.022 1.00 10.00 N ATOM 149 CA ASN A 12 4.363 -5.848 -9.316 1.00 10.00 C ATOM 150 C ASN A 12 4.606 -5.583 -7.827 1.00 10.00 C ATOM 151 O ASN A 12 5.711 -5.790 -7.334 1.00 10.00 O ATOM 152 CB ASN A 12 3.459 -7.046 -9.609 1.00 10.00 C ATOM 153 CG ASN A 12 3.791 -8.267 -8.767 1.00 10.00 C ATOM 154 OD1 ASN A 12 3.395 -8.351 -7.611 1.00 10.00 O ATOM 155 ND2 ASN A 12 4.507 -9.223 -9.336 1.00 10.00 N ATOM 0 H ASN A 12 5.904 -6.830 -10.378 1.00 10.00 H new ATOM 0 HA ASN A 12 3.792 -5.003 -9.700 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.422 -6.762 -9.432 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.543 -7.307 -10.664 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.746 -10.063 -8.810 1.00 10.00 H new ATOM 0 HD22 ASN A 12 4.820 -9.120 -10.301 1.00 10.00 H new ATOM 162 N VAL A 13 3.609 -5.027 -7.147 1.00 10.00 N ATOM 163 CA VAL A 13 3.846 -4.265 -5.921 1.00 10.00 C ATOM 164 C VAL A 13 3.362 -4.960 -4.634 1.00 10.00 C ATOM 165 O VAL A 13 3.615 -4.475 -3.535 1.00 10.00 O ATOM 166 CB VAL A 13 3.186 -2.899 -6.138 1.00 10.00 C ATOM 167 CG1 VAL A 13 1.694 -2.979 -5.833 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.815 -1.783 -5.311 1.00 10.00 C ATOM 0 H VAL A 13 2.629 -5.088 -7.422 1.00 10.00 H new ATOM 0 HA VAL A 13 4.918 -4.170 -5.750 1.00 10.00 H new ATOM 0 HB VAL A 13 3.346 -2.648 -7.186 1.00 10.00 H new ATOM 0 HG11 VAL A 13 1.237 -2.002 -5.991 1.00 10.00 H new ATOM 0 HG12 VAL A 13 1.226 -3.709 -6.493 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.550 -3.283 -4.796 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.299 -0.845 -5.514 1.00 10.00 H new ATOM 0 HG22 VAL A 13 3.729 -2.023 -4.251 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.868 -1.683 -5.576 1.00 10.00 H new ATOM 178 N THR A 14 2.586 -6.043 -4.766 1.00 10.00 N ATOM 179 CA THR A 14 1.847 -6.669 -3.665 1.00 10.00 C ATOM 180 C THR A 14 0.993 -5.667 -2.870 1.00 10.00 C ATOM 181 O THR A 14 1.335 -5.231 -1.773 1.00 10.00 O ATOM 182 CB THR A 14 2.772 -7.539 -2.798 1.00 10.00 C ATOM 183 OG1 THR A 14 3.182 -8.640 -3.576 1.00 10.00 O ATOM 184 CG2 THR A 14 2.080 -8.147 -1.575 1.00 10.00 C ATOM 0 H THR A 14 2.452 -6.517 -5.659 1.00 10.00 H new ATOM 0 HA THR A 14 1.117 -7.349 -4.103 1.00 10.00 H new ATOM 0 HB THR A 14 3.580 -6.890 -2.462 1.00 10.00 H new ATOM 0 HG1 THR A 14 3.776 -9.212 -3.046 1.00 10.00 H new ATOM 0 HG21 THR A 14 2.796 -8.747 -1.013 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.697 -7.349 -0.939 1.00 10.00 H new ATOM 0 HG23 THR A 14 1.254 -8.779 -1.901 1.00 10.00 H new ATOM 192 N PHE A 15 -0.184 -5.347 -3.419 1.00 10.00 N ATOM 193 CA PHE A 15 -1.320 -4.922 -2.605 1.00 10.00 C ATOM 194 C PHE A 15 -1.859 -6.147 -1.862 1.00 10.00 C ATOM 195 O PHE A 15 -2.593 -6.935 -2.467 1.00 10.00 O ATOM 196 CB PHE A 15 -2.459 -4.394 -3.489 1.00 10.00 C ATOM 197 CG PHE A 15 -2.450 -2.936 -3.869 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.493 -2.483 -4.787 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.591 -2.153 -3.607 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.636 -1.228 -5.399 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.791 -0.952 -4.303 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.802 -0.480 -5.178 1.00 10.00 C ATOM 0 H PHE A 15 -0.371 -5.375 -4.421 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.988 -4.137 -1.925 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.463 -4.978 -4.410 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.399 -4.599 -2.977 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.641 -3.103 -5.025 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.311 -2.477 -2.871 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.854 -0.841 -6.035 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.704 -0.392 -4.165 1.00 10.00 H new ATOM 0 HZ PHE A 15 -2.939 0.464 -5.684 1.00 10.00 H new ATOM 212 N ASP A 16 -1.579 -6.272 -0.564 1.00 10.00 N ATOM 213 CA ASP A 16 -2.378 -7.146 0.272 1.00 10.00 C ATOM 214 C ASP A 16 -3.644 -6.374 0.641 1.00 10.00 C ATOM 215 O ASP A 16 -3.553 -5.272 1.183 1.00 10.00 O ATOM 216 CB ASP A 16 -1.638 -7.502 1.558 1.00 10.00 C ATOM 217 CG ASP A 16 -0.254 -8.079 1.378 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.083 -8.905 0.460 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.584 -7.693 2.223 1.00 10.00 O ATOM 0 H ASP A 16 -0.821 -5.788 -0.084 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.597 -8.070 -0.264 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.561 -6.604 2.171 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.241 -8.218 2.116 1.00 10.00 H new ATOM 224 N HIS A 17 -4.819 -6.945 0.389 1.00 10.00 N ATOM 225 CA HIS A 17 -6.030 -6.432 1.006 1.00 10.00 C ATOM 226 C HIS A 17 -6.179 -7.054 2.396 1.00 10.00 C ATOM 227 O HIS A 17 -6.417 -6.358 3.380 1.00 10.00 O ATOM 228 CB HIS A 17 -7.239 -6.705 0.100 1.00 10.00 C ATOM 229 CG HIS A 17 -8.162 -5.521 -0.028 1.00 10.00 C ATOM 230 ND1 HIS A 17 -8.749 -5.084 -1.189 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.342 -4.545 0.911 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.251 -3.862 -0.946 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.013 -3.472 0.321 1.00 10.00 N ATOM 0 H HIS A 17 -4.954 -7.747 -0.226 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.971 -5.351 1.129 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.886 -6.991 -0.891 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.798 -7.553 0.496 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -8.795 -5.592 -2.072 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.019 -4.595 1.940 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.780 -3.266 -1.676 1.00 10.00 H new ATOM 241 N LYS A 18 -6.020 -8.380 2.465 1.00 10.00 N ATOM 242 CA LYS A 18 -6.187 -9.168 3.676 1.00 10.00 C ATOM 243 C LYS A 18 -4.945 -9.143 4.574 1.00 10.00 C ATOM 244 O LYS A 18 -5.028 -8.651 5.688 1.00 10.00 O ATOM 245 CB LYS A 18 -6.630 -10.594 3.332 1.00 10.00 C ATOM 246 CG LYS A 18 -7.814 -11.075 4.187 1.00 10.00 C ATOM 247 CD LYS A 18 -9.171 -10.793 3.515 1.00 10.00 C ATOM 248 CE LYS A 18 -9.415 -9.302 3.245 1.00 10.00 C ATOM 249 NZ LYS A 18 -10.725 -9.069 2.602 1.00 10.00 N ATOM 0 H LYS A 18 -5.765 -8.944 1.654 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.979 -8.704 4.263 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.907 -10.639 2.279 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.789 -11.274 3.470 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.717 -12.145 4.370 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.782 -10.582 5.158 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -9.223 -11.339 2.573 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -9.970 -11.176 4.150 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.367 -8.750 4.184 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.622 -8.914 2.606 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -10.854 -8.051 2.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -10.761 -9.576 1.694 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -11.483 -9.417 3.223 1.00 10.00 H new ATOM 263 N ALA A 19 -3.789 -9.643 4.124 1.00 10.00 N ATOM 264 CA ALA A 19 -2.619 -9.833 4.991 1.00 10.00 C ATOM 265 C ALA A 19 -2.194 -8.546 5.714 1.00 10.00 C ATOM 266 O ALA A 19 -1.870 -8.568 6.902 1.00 10.00 O ATOM 267 CB ALA A 19 -1.461 -10.412 4.179 1.00 10.00 C ATOM 0 H ALA A 19 -3.637 -9.926 3.156 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.904 -10.538 5.772 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.596 -10.551 4.827 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.757 -11.373 3.758 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.204 -9.726 3.372 1.00 10.00 H new ATOM 273 N HIS A 20 -2.245 -7.411 5.011 1.00 10.00 N ATOM 274 CA HIS A 20 -2.146 -6.100 5.639 1.00 10.00 C ATOM 275 C HIS A 20 -3.272 -5.896 6.678 1.00 10.00 C ATOM 276 O HIS A 20 -2.993 -5.650 7.849 1.00 10.00 O ATOM 277 CB HIS A 20 -2.102 -4.998 4.564 1.00 10.00 C ATOM 278 CG HIS A 20 -0.706 -4.608 4.118 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.248 -5.457 3.608 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.156 -3.345 4.129 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.333 -4.724 3.332 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.153 -3.422 3.628 1.00 10.00 N ATOM 0 H HIS A 20 -2.355 -7.380 3.997 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.211 -6.036 6.195 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.667 -5.334 3.694 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.607 -4.112 4.949 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.147 -6.462 3.466 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.650 -2.446 4.467 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.246 -5.129 2.920 1.00 10.00 H new ATOM 290 N ALA A 21 -4.547 -6.029 6.292 1.00 10.00 N ATOM 291 CA ALA A 21 -5.684 -5.912 7.212 1.00 10.00 C ATOM 292 C ALA A 21 -5.582 -6.778 8.477 1.00 10.00 C ATOM 293 O ALA A 21 -5.907 -6.298 9.558 1.00 10.00 O ATOM 294 CB ALA A 21 -6.992 -6.219 6.491 1.00 10.00 C ATOM 0 H ALA A 21 -4.820 -6.222 5.328 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.664 -4.876 7.551 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.823 -6.127 7.190 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.129 -5.515 5.670 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.960 -7.235 6.097 1.00 10.00 H new ATOM 300 N GLU A 22 -5.115 -8.023 8.376 1.00 10.00 N ATOM 301 CA GLU A 22 -4.896 -8.896 9.526 1.00 10.00 C ATOM 302 C GLU A 22 -4.008 -8.235 10.601 1.00 10.00 C ATOM 303 O GLU A 22 -4.125 -8.540 11.786 1.00 10.00 O ATOM 304 CB GLU A 22 -4.297 -10.228 9.041 1.00 10.00 C ATOM 305 CG GLU A 22 -5.227 -11.034 8.112 1.00 10.00 C ATOM 306 CD GLU A 22 -6.586 -11.357 8.718 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.589 -12.036 9.767 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.590 -10.930 8.107 1.00 10.00 O ATOM 0 H GLU A 22 -4.876 -8.456 7.484 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.857 -9.085 10.005 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.364 -10.025 8.516 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.048 -10.840 9.908 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.377 -10.472 7.190 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.732 -11.966 7.840 1.00 10.00 H new ATOM 315 N LYS A 23 -3.118 -7.322 10.191 1.00 10.00 N ATOM 316 CA LYS A 23 -2.233 -6.556 11.059 1.00 10.00 C ATOM 317 C LYS A 23 -2.782 -5.140 11.345 1.00 10.00 C ATOM 318 O LYS A 23 -2.574 -4.603 12.431 1.00 10.00 O ATOM 319 CB LYS A 23 -0.868 -6.499 10.361 1.00 10.00 C ATOM 320 CG LYS A 23 -0.231 -7.894 10.228 1.00 10.00 C ATOM 321 CD LYS A 23 0.836 -7.880 9.122 1.00 10.00 C ATOM 322 CE LYS A 23 1.467 -9.261 8.896 1.00 10.00 C ATOM 323 NZ LYS A 23 2.386 -9.637 9.991 1.00 10.00 N ATOM 0 H LYS A 23 -2.995 -7.092 9.205 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.151 -7.038 12.033 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.985 -6.058 9.371 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.200 -5.847 10.924 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.219 -8.189 11.176 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.998 -8.633 9.996 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.386 -7.533 8.192 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.617 -7.166 9.384 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.679 -10.010 8.811 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.010 -9.261 7.951 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.790 -10.576 9.798 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.153 -8.937 10.057 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 1.863 -9.663 10.890 1.00 10.00 H new ATOM 337 N LEU A 24 -3.442 -4.521 10.359 1.00 10.00 N ATOM 338 CA LEU A 24 -3.793 -3.097 10.327 1.00 10.00 C ATOM 339 C LEU A 24 -5.272 -2.773 10.636 1.00 10.00 C ATOM 340 O LEU A 24 -5.591 -1.649 11.016 1.00 10.00 O ATOM 341 CB LEU A 24 -3.413 -2.560 8.946 1.00 10.00 C ATOM 342 CG LEU A 24 -1.920 -2.636 8.598 1.00 10.00 C ATOM 343 CD1 LEU A 24 -1.754 -2.060 7.190 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.050 -1.834 9.572 1.00 10.00 C ATOM 0 H LEU A 24 -3.759 -5.020 9.528 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.239 -2.613 11.131 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -3.973 -3.114 8.193 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -3.732 -1.520 8.879 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.596 -3.675 8.661 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -0.703 -2.096 6.904 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.342 -2.647 6.485 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.098 -1.026 7.177 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.003 -1.921 9.281 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.348 -0.786 9.547 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.180 -2.224 10.582 1.00 10.00 H new ATOM 356 N GLY A 25 -6.190 -3.724 10.459 1.00 10.00 N ATOM 357 CA GLY A 25 -7.585 -3.617 10.895 1.00 10.00 C ATOM 358 C GLY A 25 -8.496 -2.715 10.056 1.00 10.00 C ATOM 359 O GLY A 25 -9.373 -2.065 10.613 1.00 10.00 O ATOM 0 H GLY A 25 -5.981 -4.610 9.999 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.016 -4.618 10.909 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.594 -3.251 11.922 1.00 10.00 H new ATOM 363 N CYS A 26 -8.311 -2.698 8.730 1.00 10.00 N ATOM 364 CA CYS A 26 -9.023 -1.886 7.727 1.00 10.00 C ATOM 365 C CYS A 26 -8.841 -0.370 7.916 1.00 10.00 C ATOM 366 O CYS A 26 -8.367 0.304 7.000 1.00 10.00 O ATOM 367 CB CYS A 26 -10.496 -2.208 7.635 1.00 10.00 C ATOM 368 SG CYS A 26 -10.954 -3.962 7.471 1.00 10.00 S ATOM 0 H CYS A 26 -7.608 -3.295 8.295 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.549 -2.166 6.786 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.985 -1.813 8.526 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.907 -1.670 6.781 1.00 10.00 H new ATOM 0 HG CYS A 26 -12.248 -4.068 7.407 1.00 10.00 H new ATOM 373 N ASP A 27 -9.227 0.159 9.082 1.00 10.00 N ATOM 374 CA ASP A 27 -9.249 1.565 9.469 1.00 10.00 C ATOM 375 C ASP A 27 -7.971 2.284 9.034 1.00 10.00 C ATOM 376 O ASP A 27 -8.007 3.348 8.420 1.00 10.00 O ATOM 377 CB ASP A 27 -9.441 1.646 10.992 1.00 10.00 C ATOM 378 CG ASP A 27 -10.778 1.106 11.481 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.714 1.034 10.658 1.00 10.00 O ATOM 380 OD2 ASP A 27 -10.836 0.787 12.687 1.00 10.00 O ATOM 0 H ASP A 27 -9.559 -0.439 9.839 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.076 2.068 8.967 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -8.638 1.092 11.478 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.345 2.686 11.304 1.00 10.00 H new ATOM 385 N ALA A 28 -6.836 1.630 9.294 1.00 10.00 N ATOM 386 CA ALA A 28 -5.502 2.020 8.855 1.00 10.00 C ATOM 387 C ALA A 28 -5.416 2.579 7.421 1.00 10.00 C ATOM 388 O ALA A 28 -4.580 3.439 7.149 1.00 10.00 O ATOM 389 CB ALA A 28 -4.633 0.776 8.969 1.00 10.00 C ATOM 0 H ALA A 28 -6.827 0.771 9.844 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.173 2.844 9.487 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.617 1.011 8.651 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.620 0.435 10.004 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.039 -0.011 8.333 1.00 10.00 H new ATOM 395 N CYS A 29 -6.245 2.073 6.499 1.00 10.00 N ATOM 396 CA CYS A 29 -6.282 2.483 5.095 1.00 10.00 C ATOM 397 C CYS A 29 -7.607 3.171 4.710 1.00 10.00 C ATOM 398 O CYS A 29 -7.798 3.538 3.550 1.00 10.00 O ATOM 399 CB CYS A 29 -6.097 1.257 4.239 1.00 10.00 C ATOM 400 SG CYS A 29 -4.454 0.471 4.415 1.00 10.00 S ATOM 0 H CYS A 29 -6.927 1.347 6.719 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.485 3.209 4.936 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.867 0.528 4.494 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.249 1.529 3.194 1.00 10.00 H new ATOM 0 HG CYS A 29 -4.388 -0.574 3.645 1.00 10.00 H new ATOM 405 N HIS A 30 -8.555 3.301 5.642 1.00 10.00 N ATOM 406 CA HIS A 30 -9.955 3.533 5.313 1.00 10.00 C ATOM 407 C HIS A 30 -10.721 4.217 6.454 1.00 10.00 C ATOM 408 O HIS A 30 -11.090 3.564 7.426 1.00 10.00 O ATOM 409 CB HIS A 30 -10.582 2.165 4.993 1.00 10.00 C ATOM 410 CG HIS A 30 -10.188 1.536 3.689 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.214 2.129 2.456 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.968 0.209 3.490 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.987 1.172 1.531 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.828 -0.028 2.113 1.00 10.00 N ATOM 0 H HIS A 30 -8.369 3.248 6.643 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.016 4.209 4.460 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.324 1.475 5.796 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.666 2.276 5.004 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.910 -0.541 4.265 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.940 1.348 0.466 1.00 10.00 H new ATOM 0 HE2 HIS A 30 -9.645 -0.920 1.653 1.00 10.00 H new ATOM 422 N GLU A 31 -11.038 5.506 6.304 1.00 10.00 N ATOM 423 CA GLU A 31 -11.783 6.263 7.303 1.00 10.00 C ATOM 424 C GLU A 31 -13.235 5.773 7.489 1.00 10.00 C ATOM 425 O GLU A 31 -14.185 6.379 6.989 1.00 10.00 O ATOM 426 CB GLU A 31 -11.727 7.758 6.944 1.00 10.00 C ATOM 427 CG GLU A 31 -10.347 8.374 7.236 1.00 10.00 C ATOM 428 CD GLU A 31 -10.061 8.596 8.721 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.958 8.305 9.540 1.00 10.00 O ATOM 430 OE2 GLU A 31 -8.942 9.077 9.000 1.00 10.00 O ATOM 0 H GLU A 31 -10.782 6.052 5.481 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.307 6.099 8.270 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.964 7.886 5.888 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.489 8.294 7.509 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.576 7.723 6.822 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -10.271 9.329 6.716 1.00 10.00 H new ATOM 437 N GLY A 32 -13.420 4.665 8.214 1.00 10.00 N ATOM 438 CA GLY A 32 -14.723 4.121 8.592 1.00 10.00 C ATOM 439 C GLY A 32 -15.445 3.439 7.426 1.00 10.00 C ATOM 440 O GLY A 32 -15.690 2.236 7.460 1.00 10.00 O ATOM 0 H GLY A 32 -12.641 4.107 8.563 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.590 3.402 9.401 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.348 4.925 8.980 1.00 10.00 H new ATOM 444 N THR A 33 -15.783 4.205 6.386 1.00 10.00 N ATOM 445 CA THR A 33 -16.395 3.698 5.157 1.00 10.00 C ATOM 446 C THR A 33 -15.302 3.373 4.132 1.00 10.00 C ATOM 447 O THR A 33 -14.728 4.296 3.552 1.00 10.00 O ATOM 448 CB THR A 33 -17.383 4.722 4.584 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.419 4.927 5.520 1.00 10.00 O ATOM 450 CG2 THR A 33 -18.040 4.219 3.294 1.00 10.00 C ATOM 0 H THR A 33 -15.636 5.214 6.375 1.00 10.00 H new ATOM 0 HA THR A 33 -16.948 2.787 5.387 1.00 10.00 H new ATOM 0 HB THR A 33 -16.826 5.635 4.375 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.056 5.582 5.165 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.733 4.973 2.920 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.272 4.029 2.545 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.584 3.297 3.498 1.00 10.00 H new ATOM 458 N PRO A 34 -14.989 2.093 3.878 1.00 10.00 N ATOM 459 CA PRO A 34 -14.001 1.729 2.876 1.00 10.00 C ATOM 460 C PRO A 34 -14.557 1.942 1.463 1.00 10.00 C ATOM 461 O PRO A 34 -15.766 1.879 1.244 1.00 10.00 O ATOM 462 CB PRO A 34 -13.713 0.254 3.140 1.00 10.00 C ATOM 463 CG PRO A 34 -15.067 -0.263 3.623 1.00 10.00 C ATOM 464 CD PRO A 34 -15.580 0.901 4.468 1.00 10.00 C ATOM 0 HA PRO A 34 -13.100 2.339 2.938 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.379 -0.262 2.240 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.935 0.120 3.892 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.736 -0.488 2.792 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.968 -1.177 4.208 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.669 0.951 4.449 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.284 0.790 5.511 1.00 10.00 H new ATOM 472 N ALA A 35 -13.669 2.187 0.496 1.00 10.00 N ATOM 473 CA ALA A 35 -14.037 2.441 -0.892 1.00 10.00 C ATOM 474 C ALA A 35 -12.815 2.315 -1.807 1.00 10.00 C ATOM 475 O ALA A 35 -11.678 2.219 -1.335 1.00 10.00 O ATOM 476 CB ALA A 35 -14.663 3.837 -1.010 1.00 10.00 C ATOM 0 H ALA A 35 -12.663 2.214 0.661 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.768 1.697 -1.208 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.938 4.026 -2.048 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.553 3.891 -0.383 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.943 4.587 -0.683 1.00 10.00 H new ATOM 482 N LYS A 36 -13.042 2.332 -3.124 1.00 10.00 N ATOM 483 CA LYS A 36 -11.957 2.238 -4.091 1.00 10.00 C ATOM 484 C LYS A 36 -11.132 3.527 -4.215 1.00 10.00 C ATOM 485 O LYS A 36 -11.339 4.335 -5.122 1.00 10.00 O ATOM 486 CB LYS A 36 -12.431 1.743 -5.456 1.00 10.00 C ATOM 487 CG LYS A 36 -13.652 2.499 -6.007 1.00 10.00 C ATOM 488 CD LYS A 36 -13.678 2.499 -7.544 1.00 10.00 C ATOM 489 CE LYS A 36 -13.013 3.743 -8.153 1.00 10.00 C ATOM 490 NZ LYS A 36 -11.592 3.871 -7.764 1.00 10.00 N ATOM 0 H LYS A 36 -13.970 2.410 -3.540 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.283 1.483 -3.687 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.610 1.831 -6.168 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.676 0.683 -5.382 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -14.565 2.040 -5.628 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.637 3.527 -5.644 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.172 1.606 -7.911 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.712 2.442 -7.885 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -13.086 3.696 -9.239 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -13.555 4.634 -7.835 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -11.127 4.573 -8.374 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -11.530 4.178 -6.772 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -11.118 2.951 -7.872 1.00 10.00 H new ATOM 504 N ILE A 37 -10.148 3.680 -3.336 1.00 10.00 N ATOM 505 CA ILE A 37 -9.128 4.726 -3.420 1.00 10.00 C ATOM 506 C ILE A 37 -8.358 4.602 -4.747 1.00 10.00 C ATOM 507 O ILE A 37 -7.855 3.531 -5.068 1.00 10.00 O ATOM 508 CB ILE A 37 -8.171 4.620 -2.215 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.933 4.808 -0.888 1.00 10.00 C ATOM 510 CG2 ILE A 37 -7.051 5.668 -2.326 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.126 4.333 0.324 1.00 10.00 C ATOM 0 H ILE A 37 -10.032 3.069 -2.527 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.608 5.704 -3.393 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.729 3.623 -2.223 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.184 5.861 -0.763 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.874 4.259 -0.932 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.384 5.580 -1.468 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.486 5.501 -3.243 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.488 6.667 -2.345 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.708 4.488 1.232 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.897 3.273 0.216 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.197 4.900 0.388 1.00 10.00 H new ATOM 523 N ALA A 38 -8.249 5.683 -5.528 1.00 10.00 N ATOM 524 CA ALA A 38 -7.419 5.673 -6.733 1.00 10.00 C ATOM 525 C ALA A 38 -5.926 5.706 -6.381 1.00 10.00 C ATOM 526 O ALA A 38 -5.446 6.660 -5.770 1.00 10.00 O ATOM 527 CB ALA A 38 -7.794 6.839 -7.645 1.00 10.00 C ATOM 0 H ALA A 38 -8.722 6.568 -5.347 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.607 4.742 -7.268 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -7.168 6.819 -8.537 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.841 6.753 -7.934 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.640 7.779 -7.115 1.00 10.00 H new ATOM 533 N ILE A 39 -5.212 4.640 -6.742 1.00 10.00 N ATOM 534 CA ILE A 39 -3.787 4.473 -6.496 1.00 10.00 C ATOM 535 C ILE A 39 -2.984 4.564 -7.796 1.00 10.00 C ATOM 536 O ILE A 39 -3.143 3.734 -8.688 1.00 10.00 O ATOM 537 CB ILE A 39 -3.551 3.122 -5.823 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.315 3.007 -4.498 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.048 2.902 -5.616 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.852 3.964 -3.393 1.00 10.00 C ATOM 0 H ILE A 39 -5.627 3.846 -7.229 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.448 5.277 -5.842 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.936 2.341 -6.478 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.373 3.184 -4.690 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.225 1.984 -4.132 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.884 1.937 -5.136 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.542 2.917 -6.581 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.648 3.695 -4.984 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.453 3.805 -2.498 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.803 3.775 -3.164 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.970 4.994 -3.731 1.00 10.00 H new ATOM 552 N ASP A 40 -2.071 5.534 -7.847 1.00 10.00 N ATOM 553 CA ASP A 40 -1.184 5.779 -8.972 1.00 10.00 C ATOM 554 C ASP A 40 0.234 6.094 -8.474 1.00 10.00 C ATOM 555 O ASP A 40 0.409 6.567 -7.341 1.00 10.00 O ATOM 556 CB ASP A 40 -1.701 6.990 -9.768 1.00 10.00 C ATOM 557 CG ASP A 40 -3.182 6.939 -10.119 1.00 10.00 C ATOM 558 OD1 ASP A 40 -3.986 7.269 -9.220 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.472 6.641 -11.295 1.00 10.00 O ATOM 0 H ASP A 40 -1.928 6.189 -7.079 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.159 4.889 -9.600 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.510 7.895 -9.191 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.126 7.073 -10.690 1.00 10.00 H new ATOM 564 N LYS A 41 1.211 5.930 -9.372 1.00 10.00 N ATOM 565 CA LYS A 41 2.539 6.558 -9.443 1.00 10.00 C ATOM 566 C LYS A 41 2.520 8.097 -9.302 1.00 10.00 C ATOM 567 O LYS A 41 3.036 8.827 -10.147 1.00 10.00 O ATOM 568 CB LYS A 41 3.190 6.121 -10.772 1.00 10.00 C ATOM 569 CG LYS A 41 2.363 6.525 -12.016 1.00 10.00 C ATOM 570 CD LYS A 41 2.606 5.586 -13.207 1.00 10.00 C ATOM 571 CE LYS A 41 3.897 5.838 -13.988 1.00 10.00 C ATOM 572 NZ LYS A 41 3.735 6.939 -14.956 1.00 10.00 N ATOM 0 H LYS A 41 1.079 5.285 -10.151 1.00 10.00 H new ATOM 0 HA LYS A 41 3.124 6.220 -8.588 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.184 6.563 -10.845 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.322 5.039 -10.767 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.303 6.520 -11.762 1.00 10.00 H new ATOM 0 HG3 LYS A 41 2.617 7.545 -12.303 1.00 10.00 H new ATOM 0 HD2 LYS A 41 2.617 4.559 -12.842 1.00 10.00 H new ATOM 0 HD3 LYS A 41 1.764 5.672 -13.893 1.00 10.00 H new ATOM 0 HE2 LYS A 41 4.703 6.077 -13.294 1.00 10.00 H new ATOM 0 HE3 LYS A 41 4.189 4.929 -14.514 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 4.628 7.084 -15.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 2.982 6.699 -15.632 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.480 7.811 -14.450 1.00 10.00 H new ATOM 586 N LYS A 42 1.942 8.585 -8.205 1.00 10.00 N ATOM 587 CA LYS A 42 1.652 9.983 -7.901 1.00 10.00 C ATOM 588 C LYS A 42 1.181 10.090 -6.444 1.00 10.00 C ATOM 589 O LYS A 42 1.682 10.917 -5.687 1.00 10.00 O ATOM 590 CB LYS A 42 0.591 10.529 -8.874 1.00 10.00 C ATOM 591 CG LYS A 42 0.404 12.044 -8.717 1.00 10.00 C ATOM 592 CD LYS A 42 -0.624 12.553 -9.739 1.00 10.00 C ATOM 593 CE LYS A 42 -0.746 14.081 -9.660 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.729 14.598 -10.638 1.00 10.00 N ATOM 0 H LYS A 42 1.643 7.967 -7.451 1.00 10.00 H new ATOM 0 HA LYS A 42 2.552 10.585 -8.024 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.886 10.303 -9.899 1.00 10.00 H new ATOM 0 HB3 LYS A 42 -0.359 10.025 -8.697 1.00 10.00 H new ATOM 0 HG2 LYS A 42 0.069 12.275 -7.706 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.357 12.554 -8.862 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.324 12.257 -10.744 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.594 12.094 -9.548 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -1.046 14.372 -8.653 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.227 14.535 -9.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -1.787 15.633 -10.558 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.429 14.341 -11.600 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.663 14.183 -10.444 1.00 10.00 H new ATOM 608 N SER A 43 0.243 9.222 -6.042 1.00 10.00 N ATOM 609 CA SER A 43 -0.169 9.075 -4.645 1.00 10.00 C ATOM 610 C SER A 43 0.712 8.041 -3.932 1.00 10.00 C ATOM 611 O SER A 43 1.338 8.350 -2.914 1.00 10.00 O ATOM 612 CB SER A 43 -1.650 8.690 -4.561 1.00 10.00 C ATOM 613 OG SER A 43 -2.063 8.733 -3.210 1.00 10.00 O ATOM 0 H SER A 43 -0.252 8.601 -6.682 1.00 10.00 H new ATOM 0 HA SER A 43 -0.041 10.033 -4.140 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.251 9.374 -5.160 1.00 10.00 H new ATOM 0 HB3 SER A 43 -1.803 7.691 -4.969 1.00 10.00 H new ATOM 0 HG SER A 43 -3.010 8.489 -3.150 1.00 10.00 H new ATOM 619 N ALA A 44 0.808 6.834 -4.514 1.00 10.00 N ATOM 620 CA ALA A 44 1.578 5.704 -3.985 1.00 10.00 C ATOM 621 C ALA A 44 3.032 6.076 -3.692 1.00 10.00 C ATOM 622 O ALA A 44 3.644 5.598 -2.740 1.00 10.00 O ATOM 623 CB ALA A 44 1.553 4.556 -4.997 1.00 10.00 C ATOM 0 H ALA A 44 0.337 6.615 -5.392 1.00 10.00 H new ATOM 0 HA ALA A 44 1.115 5.405 -3.045 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.125 3.714 -4.606 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.522 4.246 -5.170 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.994 4.889 -5.936 1.00 10.00 H new ATOM 629 N HIS A 45 3.600 6.921 -4.555 1.00 10.00 N ATOM 630 CA HIS A 45 4.974 7.374 -4.431 1.00 10.00 C ATOM 631 C HIS A 45 5.146 8.609 -3.537 1.00 10.00 C ATOM 632 O HIS A 45 6.282 8.918 -3.171 1.00 10.00 O ATOM 633 CB HIS A 45 5.548 7.646 -5.822 1.00 10.00 C ATOM 634 CG HIS A 45 5.711 6.435 -6.703 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.956 6.498 -8.052 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.875 5.129 -6.309 1.00 10.00 C ATOM 637 CE1 HIS A 45 6.268 5.259 -8.457 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.237 4.384 -7.434 1.00 10.00 N ATOM 0 H HIS A 45 3.111 7.309 -5.362 1.00 10.00 H new ATOM 0 HA HIS A 45 5.523 6.572 -3.938 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.900 8.359 -6.331 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.521 8.124 -5.708 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.747 4.746 -5.307 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.513 4.996 -9.475 1.00 10.00 H new ATOM 0 HE2 HIS A 45 6.436 3.384 -7.472 1.00 10.00 H new ATOM 646 N LYS A 46 4.061 9.287 -3.151 1.00 10.00 N ATOM 647 CA LYS A 46 4.127 10.419 -2.234 1.00 10.00 C ATOM 648 C LYS A 46 3.960 9.925 -0.793 1.00 10.00 C ATOM 649 O LYS A 46 4.926 9.865 -0.030 1.00 10.00 O ATOM 650 CB LYS A 46 3.058 11.453 -2.624 1.00 10.00 C ATOM 651 CG LYS A 46 3.197 12.756 -1.822 1.00 10.00 C ATOM 652 CD LYS A 46 1.897 13.569 -1.914 1.00 10.00 C ATOM 653 CE LYS A 46 2.017 14.919 -1.188 1.00 10.00 C ATOM 654 NZ LYS A 46 1.361 14.895 0.137 1.00 10.00 N ATOM 0 H LYS A 46 3.117 9.064 -3.467 1.00 10.00 H new ATOM 0 HA LYS A 46 5.100 10.907 -2.300 1.00 10.00 H new ATOM 0 HB2 LYS A 46 3.138 11.673 -3.689 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.067 11.030 -2.459 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.421 12.529 -0.780 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.031 13.343 -2.207 1.00 10.00 H new ATOM 0 HD2 LYS A 46 1.648 13.740 -2.961 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.078 12.995 -1.481 1.00 10.00 H new ATOM 0 HE2 LYS A 46 3.070 15.173 -1.067 1.00 10.00 H new ATOM 0 HE3 LYS A 46 1.569 15.701 -1.801 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.850 15.551 0.779 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.367 15.185 0.038 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 1.404 13.932 0.528 1.00 10.00 H new ATOM 668 N ASP A 47 2.719 9.581 -0.447 1.00 10.00 N ATOM 669 CA ASP A 47 2.261 9.345 0.910 1.00 10.00 C ATOM 670 C ASP A 47 1.466 8.042 1.027 1.00 10.00 C ATOM 671 O ASP A 47 1.753 7.236 1.914 1.00 10.00 O ATOM 672 CB ASP A 47 1.421 10.552 1.336 1.00 10.00 C ATOM 673 CG ASP A 47 2.267 11.648 1.954 1.00 10.00 C ATOM 674 OD1 ASP A 47 2.945 11.348 2.959 1.00 10.00 O ATOM 675 OD2 ASP A 47 2.209 12.772 1.412 1.00 10.00 O ATOM 0 H ASP A 47 1.980 9.456 -1.138 1.00 10.00 H new ATOM 0 HA ASP A 47 3.119 9.231 1.572 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.892 10.949 0.469 1.00 10.00 H new ATOM 0 HB3 ASP A 47 0.664 10.232 2.052 1.00 10.00 H new ATOM 680 N ALA A 48 0.470 7.830 0.153 1.00 10.00 N ATOM 681 CA ALA A 48 -0.308 6.596 0.166 1.00 10.00 C ATOM 682 C ALA A 48 0.631 5.388 0.114 1.00 10.00 C ATOM 683 O ALA A 48 1.595 5.374 -0.650 1.00 10.00 O ATOM 684 CB ALA A 48 -1.317 6.579 -0.984 1.00 10.00 C ATOM 0 H ALA A 48 0.190 8.498 -0.566 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.877 6.543 1.094 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -1.886 5.650 -0.955 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.997 7.425 -0.884 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.787 6.650 -1.934 1.00 10.00 H new ATOM 690 N CYS A 49 0.404 4.419 0.999 1.00 10.00 N ATOM 691 CA CYS A 49 1.317 3.307 1.242 1.00 10.00 C ATOM 692 C CYS A 49 2.634 3.788 1.860 1.00 10.00 C ATOM 693 O CYS A 49 2.838 3.601 3.061 1.00 10.00 O ATOM 694 CB CYS A 49 1.475 2.421 0.020 1.00 10.00 C ATOM 695 SG CYS A 49 -0.175 2.038 -0.660 1.00 10.00 S ATOM 0 H CYS A 49 -0.436 4.385 1.577 1.00 10.00 H new ATOM 0 HA CYS A 49 0.870 2.656 1.994 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.084 2.923 -0.732 1.00 10.00 H new ATOM 0 HB3 CYS A 49 1.994 1.501 0.288 1.00 10.00 H new ATOM 0 HG CYS A 49 -0.047 1.281 -1.709 1.00 10.00 H new ATOM 700 N LYS A 50 3.512 4.446 1.089 1.00 10.00 N ATOM 701 CA LYS A 50 4.821 4.865 1.565 1.00 10.00 C ATOM 702 C LYS A 50 4.856 5.437 2.985 1.00 10.00 C ATOM 703 O LYS A 50 5.653 4.973 3.790 1.00 10.00 O ATOM 704 CB LYS A 50 5.434 5.854 0.582 1.00 10.00 C ATOM 705 CG LYS A 50 6.064 5.098 -0.587 1.00 10.00 C ATOM 706 CD LYS A 50 6.638 6.083 -1.596 1.00 10.00 C ATOM 707 CE LYS A 50 7.842 6.866 -1.067 1.00 10.00 C ATOM 708 NZ LYS A 50 8.429 7.716 -2.126 1.00 10.00 N ATOM 0 H LYS A 50 3.326 4.699 0.118 1.00 10.00 H new ATOM 0 HA LYS A 50 5.412 3.951 1.621 1.00 10.00 H new ATOM 0 HB2 LYS A 50 4.669 6.538 0.215 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.188 6.460 1.084 1.00 10.00 H new ATOM 0 HG2 LYS A 50 6.851 4.438 -0.222 1.00 10.00 H new ATOM 0 HG3 LYS A 50 5.317 4.467 -1.068 1.00 10.00 H new ATOM 0 HD2 LYS A 50 6.933 5.540 -2.494 1.00 10.00 H new ATOM 0 HD3 LYS A 50 5.858 6.786 -1.890 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.535 7.487 -0.226 1.00 10.00 H new ATOM 0 HE3 LYS A 50 8.595 6.173 -0.693 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.211 8.274 -1.729 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.788 7.115 -2.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.701 8.358 -2.500 1.00 10.00 H new ATOM 722 N THR A 51 4.068 6.451 3.337 1.00 10.00 N ATOM 723 CA THR A 51 4.188 7.068 4.664 1.00 10.00 C ATOM 724 C THR A 51 3.878 6.110 5.827 1.00 10.00 C ATOM 725 O THR A 51 4.497 6.228 6.886 1.00 10.00 O ATOM 726 CB THR A 51 3.472 8.425 4.691 1.00 10.00 C ATOM 727 OG1 THR A 51 4.283 9.301 3.928 1.00 10.00 O ATOM 728 CG2 THR A 51 3.346 9.030 6.089 1.00 10.00 C ATOM 0 H THR A 51 3.351 6.860 2.737 1.00 10.00 H new ATOM 0 HA THR A 51 5.239 7.290 4.846 1.00 10.00 H new ATOM 0 HB THR A 51 2.459 8.288 4.312 1.00 10.00 H new ATOM 0 HG1 THR A 51 3.811 10.149 3.793 1.00 10.00 H new ATOM 0 HG21 THR A 51 2.829 9.988 6.026 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.779 8.353 6.729 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.340 9.181 6.511 1.00 10.00 H new ATOM 736 N CYS A 52 3.038 5.092 5.594 1.00 10.00 N ATOM 737 CA CYS A 52 2.809 3.990 6.538 1.00 10.00 C ATOM 738 C CYS A 52 3.892 2.892 6.436 1.00 10.00 C ATOM 739 O CYS A 52 3.836 1.851 7.086 1.00 10.00 O ATOM 740 CB CYS A 52 1.433 3.440 6.288 1.00 10.00 C ATOM 741 SG CYS A 52 0.942 2.335 7.642 1.00 10.00 S ATOM 0 H CYS A 52 2.493 5.010 4.736 1.00 10.00 H new ATOM 0 HA CYS A 52 2.878 4.370 7.557 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.718 4.258 6.199 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.417 2.898 5.343 1.00 10.00 H new ATOM 0 HG CYS A 52 1.954 1.595 7.987 1.00 10.00 H new ATOM 746 N HIS A 53 4.914 3.116 5.614 1.00 10.00 N ATOM 747 CA HIS A 53 6.174 2.394 5.614 1.00 10.00 C ATOM 748 C HIS A 53 7.289 3.259 6.242 1.00 10.00 C ATOM 749 O HIS A 53 8.111 2.738 6.986 1.00 10.00 O ATOM 750 CB HIS A 53 6.498 1.963 4.175 1.00 10.00 C ATOM 751 CG HIS A 53 5.549 0.967 3.556 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.633 0.522 2.264 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.511 0.292 4.143 1.00 10.00 C ATOM 754 CE1 HIS A 53 4.671 -0.401 2.083 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.946 -0.584 3.198 1.00 10.00 N ATOM 0 H HIS A 53 4.880 3.841 4.898 1.00 10.00 H new ATOM 0 HA HIS A 53 6.099 1.496 6.227 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.521 2.853 3.546 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.501 1.537 4.161 1.00 10.00 H new ATOM 0 HD2 HIS A 53 4.181 0.413 5.164 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.503 -0.929 1.156 1.00 10.00 H new ATOM 0 HE2 HIS A 53 3.159 -1.219 3.331 1.00 10.00 H new ATOM 763 N LYS A 54 7.349 4.569 5.945 1.00 10.00 N ATOM 764 CA LYS A 54 8.383 5.441 6.497 1.00 10.00 C ATOM 765 C LYS A 54 8.235 5.658 8.004 1.00 10.00 C ATOM 766 O LYS A 54 9.216 5.589 8.738 1.00 10.00 O ATOM 767 CB LYS A 54 8.458 6.802 5.813 1.00 10.00 C ATOM 768 CG LYS A 54 9.049 6.701 4.418 1.00 10.00 C ATOM 769 CD LYS A 54 8.047 7.101 3.351 1.00 10.00 C ATOM 770 CE LYS A 54 7.877 8.604 3.050 1.00 10.00 C ATOM 771 NZ LYS A 54 6.950 9.306 3.970 1.00 10.00 N ATOM 0 H LYS A 54 6.690 5.041 5.325 1.00 10.00 H new ATOM 0 HA LYS A 54 9.311 4.904 6.302 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.459 7.235 5.754 1.00 10.00 H new ATOM 0 HB3 LYS A 54 9.063 7.479 6.416 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.929 7.341 4.349 1.00 10.00 H new ATOM 0 HG3 LYS A 54 9.383 5.679 4.238 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.330 6.604 2.423 1.00 10.00 H new ATOM 0 HD3 LYS A 54 7.074 6.705 3.641 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.854 9.086 3.099 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.515 8.720 2.029 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 7.017 10.332 3.814 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 5.976 8.991 3.788 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 7.206 9.088 4.954 1.00 10.00 H new ATOM 859 N LYS A 61 12.679 0.960 0.115 1.00 10.00 N ATOM 860 CA LYS A 61 13.392 0.778 -1.151 1.00 10.00 C ATOM 861 C LYS A 61 12.377 0.589 -2.290 1.00 10.00 C ATOM 862 O LYS A 61 11.310 0.017 -2.072 1.00 10.00 O ATOM 863 CB LYS A 61 14.319 -0.452 -1.068 1.00 10.00 C ATOM 864 CG LYS A 61 15.761 -0.202 -1.541 1.00 10.00 C ATOM 865 CD LYS A 61 16.565 0.579 -0.489 1.00 10.00 C ATOM 866 CE LYS A 61 18.062 0.583 -0.828 1.00 10.00 C ATOM 867 NZ LYS A 61 18.852 1.231 0.241 1.00 10.00 N ATOM 0 HA LYS A 61 13.998 1.662 -1.348 1.00 10.00 H new ATOM 0 HB2 LYS A 61 14.345 -0.802 -0.036 1.00 10.00 H new ATOM 0 HB3 LYS A 61 13.889 -1.255 -1.666 1.00 10.00 H new ATOM 0 HG2 LYS A 61 16.250 -1.155 -1.743 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.748 0.354 -2.478 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.199 1.604 -0.434 1.00 10.00 H new ATOM 0 HD3 LYS A 61 16.413 0.133 0.494 1.00 10.00 H new ATOM 0 HE2 LYS A 61 18.408 -0.441 -0.969 1.00 10.00 H new ATOM 0 HE3 LYS A 61 18.223 1.107 -1.770 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 19.860 1.219 -0.016 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 18.536 2.215 0.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 18.716 0.716 1.134 1.00 10.00 H new ATOM 881 N CYS A 62 12.714 1.000 -3.518 1.00 10.00 N ATOM 882 CA CYS A 62 11.880 0.729 -4.700 1.00 10.00 C ATOM 883 C CYS A 62 11.555 -0.767 -4.789 1.00 10.00 C ATOM 884 O CYS A 62 10.394 -1.180 -4.731 1.00 10.00 O ATOM 885 CB CYS A 62 12.572 1.171 -5.966 1.00 10.00 C ATOM 886 SG CYS A 62 13.241 2.859 -5.902 1.00 10.00 S ATOM 0 H CYS A 62 13.564 1.525 -3.722 1.00 10.00 H new ATOM 0 HA CYS A 62 10.955 1.296 -4.593 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.385 0.478 -6.182 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.867 1.103 -6.794 1.00 10.00 H new ATOM 0 HG CYS A 62 13.816 3.141 -7.033 1.00 10.00 H new ATOM 891 N GLY A 63 12.618 -1.580 -4.825 1.00 10.00 N ATOM 892 CA GLY A 63 12.557 -3.036 -4.798 1.00 10.00 C ATOM 893 C GLY A 63 12.145 -3.624 -3.440 1.00 10.00 C ATOM 894 O GLY A 63 12.265 -4.828 -3.233 1.00 10.00 O ATOM 0 H GLY A 63 13.573 -1.225 -4.875 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.850 -3.373 -5.557 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.534 -3.435 -5.073 1.00 10.00 H new ATOM 898 N GLY A 64 11.696 -2.781 -2.502 1.00 10.00 N ATOM 899 CA GLY A 64 11.038 -3.175 -1.267 1.00 10.00 C ATOM 900 C GLY A 64 9.516 -3.237 -1.454 1.00 10.00 C ATOM 901 O GLY A 64 8.847 -4.012 -0.777 1.00 10.00 O ATOM 0 H GLY A 64 11.788 -1.769 -2.593 1.00 10.00 H new ATOM 0 HA2 GLY A 64 11.409 -4.149 -0.947 1.00 10.00 H new ATOM 0 HA3 GLY A 64 11.283 -2.465 -0.477 1.00 10.00 H new ATOM 905 N CYS A 65 8.975 -2.444 -2.389 1.00 10.00 N ATOM 906 CA CYS A 65 7.588 -2.586 -2.839 1.00 10.00 C ATOM 907 C CYS A 65 7.529 -3.450 -4.100 1.00 10.00 C ATOM 908 O CYS A 65 6.816 -4.446 -4.155 1.00 10.00 O ATOM 909 CB CYS A 65 6.983 -1.239 -3.127 1.00 10.00 C ATOM 910 SG CYS A 65 6.489 -0.355 -1.620 1.00 10.00 S ATOM 0 H CYS A 65 9.485 -1.691 -2.851 1.00 10.00 H new ATOM 0 HA CYS A 65 7.019 -3.066 -2.043 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.701 -0.633 -3.679 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.112 -1.367 -3.770 1.00 10.00 H new ATOM 0 HG CYS A 65 5.978 0.797 -1.940 1.00 10.00 H new ATOM 915 N HIS A 66 8.269 -3.051 -5.132 1.00 10.00 N ATOM 916 CA HIS A 66 8.264 -3.719 -6.420 1.00 10.00 C ATOM 917 C HIS A 66 9.057 -5.038 -6.364 1.00 10.00 C ATOM 918 O HIS A 66 10.211 -5.042 -5.940 1.00 10.00 O ATOM 919 CB HIS A 66 8.827 -2.720 -7.437 1.00 10.00 C ATOM 920 CG HIS A 66 7.938 -1.528 -7.623 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.791 -1.544 -8.357 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.106 -0.253 -7.158 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.282 -0.305 -8.368 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.042 0.531 -7.648 1.00 10.00 N ATOM 0 H HIS A 66 8.894 -2.246 -5.091 1.00 10.00 H new ATOM 0 HA HIS A 66 7.256 -4.010 -6.716 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.811 -2.387 -7.108 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.964 -3.220 -8.396 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.389 -2.359 -8.819 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.912 0.092 -6.527 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.380 -0.018 -8.888 1.00 10.00 H new ATOM 932 N ILE A 67 8.469 -6.151 -6.817 1.00 10.00 N ATOM 933 CA ILE A 67 9.212 -7.407 -6.964 1.00 10.00 C ATOM 934 C ILE A 67 10.456 -7.215 -7.855 1.00 10.00 C ATOM 935 O ILE A 67 10.448 -6.405 -8.783 1.00 10.00 O ATOM 936 CB ILE A 67 8.298 -8.535 -7.485 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.086 -8.803 -6.571 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.074 -9.846 -7.692 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.433 -9.089 -5.106 1.00 10.00 C ATOM 0 H ILE A 67 7.487 -6.208 -7.087 1.00 10.00 H new ATOM 0 HA ILE A 67 9.566 -7.709 -5.978 1.00 10.00 H new ATOM 0 HB ILE A 67 7.923 -8.179 -8.445 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.422 -7.939 -6.610 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.529 -9.651 -6.970 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.396 -10.616 -8.059 1.00 10.00 H new ATOM 0 HG22 ILE A 67 9.870 -9.687 -8.419 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.507 -10.166 -6.744 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.517 -9.265 -4.543 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.069 -9.972 -5.049 1.00 10.00 H new ATOM 0 HD13 ILE A 67 7.960 -8.234 -4.683 1.00 10.00 H new ATOM 951 N LYS A 68 11.522 -7.954 -7.544 1.00 10.00 N ATOM 952 CA LYS A 68 12.819 -7.938 -8.205 1.00 10.00 C ATOM 953 C LYS A 68 13.445 -9.336 -8.092 1.00 10.00 C ATOM 954 O LYS A 68 12.952 -10.100 -7.227 1.00 10.00 O ATOM 955 CB LYS A 68 13.721 -6.879 -7.553 1.00 10.00 C ATOM 956 CG LYS A 68 13.759 -7.068 -6.031 1.00 10.00 C ATOM 957 CD LYS A 68 15.077 -6.562 -5.438 1.00 10.00 C ATOM 958 CE LYS A 68 15.100 -6.875 -3.937 1.00 10.00 C ATOM 959 NZ LYS A 68 16.422 -6.587 -3.344 1.00 10.00 N ATOM 960 OXT LYS A 68 14.418 -9.597 -8.830 1.00 10.00 O ATOM 0 H LYS A 68 11.496 -8.621 -6.773 1.00 10.00 H new ATOM 0 HA LYS A 68 12.704 -7.681 -9.258 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.730 -6.952 -7.960 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.352 -5.882 -7.792 1.00 10.00 H new ATOM 0 HG2 LYS A 68 12.925 -6.534 -5.576 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.632 -8.123 -5.791 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.922 -7.039 -5.935 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.176 -5.489 -5.601 1.00 10.00 H new ATOM 0 HE2 LYS A 68 14.336 -6.286 -3.430 1.00 10.00 H new ATOM 0 HE3 LYS A 68 14.850 -7.924 -3.779 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 16.403 -6.810 -2.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.147 -7.168 -3.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 16.649 -5.580 -3.473 1.00 10.00 H new