USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 50 ASN : amide:sc= 0.268 K(o=0.28,f=-3.5!) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0.00768 K(o=0.28,f=-0.55) USER MOD Set 2.1: A 36 THR OG1 : rot -100:sc= 0.319 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -178:sc= 1.81 (180deg=0.841) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -156:sc= 1.09 (180deg=-0.585) USER MOD Set 3.2: A 20 SER OG : rot -140:sc= 1.01 USER MOD Single : A 10 CYS SG : rot 42:sc= 0.154 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.14) USER MOD Single : A 22 CYS SG : rot -4:sc= -3.51! USER MOD Single : A 31 ASN : amide:sc= -0.743 K(o=-0.74,f=-5!) USER MOD Single : A 42 THR OG1 : rot 154:sc= -0.779 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -70:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.2) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -119:sc= 0.789 (180deg=-1.09!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0305 USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.187) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0.934 (180deg=0.704) USER MOD Single : A 79 SER OG : rot 81:sc= 0.369 USER MOD Single : A 80 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 179:sc= -0.545 (180deg=-0.55) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 4.577 9.574 -6.713 1.00 0.00 N ATOM 45 CA ILE A 4 4.168 9.030 -5.421 1.00 0.00 C ATOM 46 C ILE A 4 3.156 9.960 -4.756 1.00 0.00 C ATOM 47 O ILE A 4 3.517 10.939 -4.099 1.00 0.00 O ATOM 48 CB ILE A 4 5.375 8.798 -4.480 1.00 0.00 C ATOM 49 CG1 ILE A 4 6.346 7.786 -5.097 1.00 0.00 C ATOM 50 CG2 ILE A 4 4.915 8.325 -3.105 1.00 0.00 C ATOM 51 CD1 ILE A 4 5.733 6.422 -5.354 1.00 0.00 C ATOM 0 HA ILE A 4 3.705 8.061 -5.606 1.00 0.00 H new ATOM 0 HB ILE A 4 5.893 9.748 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.723 8.187 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.203 7.669 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.783 8.170 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.265 9.078 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.367 7.388 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.483 5.763 -5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.381 5.998 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.894 6.524 -6.042 1.00 0.00 H new ATOM 63 N GLU A 5 1.884 9.657 -4.947 1.00 0.00 N ATOM 64 CA GLU A 5 0.819 10.521 -4.472 1.00 0.00 C ATOM 65 C GLU A 5 0.393 10.109 -3.071 1.00 0.00 C ATOM 66 O GLU A 5 0.313 8.915 -2.763 1.00 0.00 O ATOM 67 CB GLU A 5 -0.368 10.458 -5.436 1.00 0.00 C ATOM 68 CG GLU A 5 -1.451 11.481 -5.145 1.00 0.00 C ATOM 69 CD GLU A 5 -0.915 12.897 -5.132 1.00 0.00 C ATOM 70 OE1 GLU A 5 -0.608 13.433 -6.220 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.804 13.480 -4.034 1.00 0.00 O ATOM 0 H GLU A 5 1.564 8.817 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 5 1.183 11.548 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.006 10.606 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.804 9.460 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.236 11.399 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.908 11.259 -4.181 1.00 0.00 H new ATOM 78 N VAL A 6 0.122 11.097 -2.225 1.00 0.00 N ATOM 79 CA VAL A 6 -0.264 10.835 -0.848 1.00 0.00 C ATOM 80 C VAL A 6 -1.596 10.094 -0.786 1.00 0.00 C ATOM 81 O VAL A 6 -2.654 10.635 -1.121 1.00 0.00 O ATOM 82 CB VAL A 6 -0.330 12.128 0.002 1.00 0.00 C ATOM 83 CG1 VAL A 6 1.068 12.659 0.272 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.171 13.198 -0.679 1.00 0.00 C ATOM 0 H VAL A 6 0.163 12.086 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 6 0.514 10.202 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.805 11.876 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.003 13.568 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.644 11.909 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.561 12.882 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.197 14.092 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.734 13.443 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.186 12.827 -0.822 1.00 0.00 H new ATOM 94 N GLY A 7 -1.523 8.833 -0.390 1.00 0.00 N ATOM 95 CA GLY A 7 -2.717 8.031 -0.259 1.00 0.00 C ATOM 96 C GLY A 7 -3.001 7.181 -1.480 1.00 0.00 C ATOM 97 O GLY A 7 -3.978 6.435 -1.501 1.00 0.00 O ATOM 0 H GLY A 7 -0.655 8.351 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.618 7.383 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.568 8.686 -0.074 1.00 0.00 H new ATOM 101 N ARG A 8 -2.169 7.273 -2.511 1.00 0.00 N ATOM 102 CA ARG A 8 -2.397 6.473 -3.701 1.00 0.00 C ATOM 103 C ARG A 8 -1.782 5.093 -3.524 1.00 0.00 C ATOM 104 O ARG A 8 -0.566 4.954 -3.365 1.00 0.00 O ATOM 105 CB ARG A 8 -1.853 7.168 -4.953 1.00 0.00 C ATOM 106 CG ARG A 8 -2.342 6.535 -6.245 1.00 0.00 C ATOM 107 CD ARG A 8 -2.217 7.479 -7.433 1.00 0.00 C ATOM 108 NE ARG A 8 -2.766 6.876 -8.646 1.00 0.00 N ATOM 109 CZ ARG A 8 -3.376 7.549 -9.622 1.00 0.00 C ATOM 110 NH1 ARG A 8 -3.522 8.868 -9.552 1.00 0.00 N ATOM 111 NH2 ARG A 8 -3.852 6.890 -10.670 1.00 0.00 N ATOM 0 H ARG A 8 -1.350 7.880 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.472 6.359 -3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.147 8.218 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.764 7.142 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.770 5.628 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.384 6.236 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.740 8.410 -7.218 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.169 7.732 -7.592 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.676 5.866 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.165 9.378 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.991 9.370 -10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.750 5.877 -10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.320 7.397 -11.421 1.00 0.00 H new ATOM 125 N ILE A 9 -2.635 4.080 -3.539 1.00 0.00 N ATOM 126 CA ILE A 9 -2.213 2.713 -3.282 1.00 0.00 C ATOM 127 C ILE A 9 -1.336 2.206 -4.416 1.00 0.00 C ATOM 128 O ILE A 9 -1.677 2.350 -5.588 1.00 0.00 O ATOM 129 CB ILE A 9 -3.433 1.779 -3.113 1.00 0.00 C ATOM 130 CG1 ILE A 9 -4.346 2.311 -2.003 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.983 0.355 -2.803 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.624 1.518 -1.830 1.00 0.00 C ATOM 0 H ILE A 9 -3.632 4.182 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.640 2.710 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.992 1.759 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.797 2.308 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.600 3.349 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.857 -0.286 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.365 -0.017 -3.620 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.405 0.349 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.217 1.955 -1.027 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.196 1.542 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.380 0.485 -1.581 1.00 0.00 H new ATOM 144 N CYS A 10 -0.205 1.629 -4.062 1.00 0.00 N ATOM 145 CA CYS A 10 0.754 1.161 -5.042 1.00 0.00 C ATOM 146 C CYS A 10 0.981 -0.340 -4.896 1.00 0.00 C ATOM 147 O CYS A 10 0.730 -0.914 -3.835 1.00 0.00 O ATOM 148 CB CYS A 10 2.076 1.908 -4.861 1.00 0.00 C ATOM 149 SG CYS A 10 1.916 3.711 -4.895 1.00 0.00 S ATOM 0 H CYS A 10 0.074 1.472 -3.093 1.00 0.00 H new ATOM 0 HA CYS A 10 0.360 1.355 -6.040 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.522 1.611 -3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.766 1.600 -5.647 1.00 0.00 H new ATOM 0 HG CYS A 10 0.868 4.067 -4.213 1.00 0.00 H new ATOM 155 N VAL A 11 1.451 -0.973 -5.958 1.00 0.00 N ATOM 156 CA VAL A 11 1.767 -2.391 -5.923 1.00 0.00 C ATOM 157 C VAL A 11 3.199 -2.614 -6.390 1.00 0.00 C ATOM 158 O VAL A 11 3.701 -1.879 -7.246 1.00 0.00 O ATOM 159 CB VAL A 11 0.780 -3.222 -6.781 1.00 0.00 C ATOM 160 CG1 VAL A 11 0.844 -2.816 -8.245 1.00 0.00 C ATOM 161 CG2 VAL A 11 1.037 -4.717 -6.625 1.00 0.00 C ATOM 0 H VAL A 11 1.623 -0.525 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 11 1.667 -2.732 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.226 -3.012 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.140 -3.417 -8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.585 -1.762 -8.342 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.853 -2.978 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.329 -5.274 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.053 -4.947 -6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.912 -5.000 -5.580 1.00 0.00 H new ATOM 171 N LYS A 12 3.861 -3.601 -5.804 1.00 0.00 N ATOM 172 CA LYS A 12 5.254 -3.896 -6.123 1.00 0.00 C ATOM 173 C LYS A 12 5.395 -4.403 -7.551 1.00 0.00 C ATOM 174 O LYS A 12 4.645 -5.275 -7.987 1.00 0.00 O ATOM 175 CB LYS A 12 5.830 -4.934 -5.158 1.00 0.00 C ATOM 176 CG LYS A 12 6.276 -4.382 -3.812 1.00 0.00 C ATOM 177 CD LYS A 12 5.119 -3.823 -3.005 1.00 0.00 C ATOM 178 CE LYS A 12 5.542 -3.526 -1.580 1.00 0.00 C ATOM 179 NZ LYS A 12 5.944 -4.761 -0.860 1.00 0.00 N ATOM 0 H LYS A 12 3.454 -4.216 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 12 5.812 -2.965 -6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.079 -5.705 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.682 -5.419 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.765 -5.172 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.017 -3.598 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.750 -2.912 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.295 -4.537 -3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.373 -2.821 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.720 -3.046 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.835 -4.617 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.342 -5.552 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.938 -4.980 -1.075 1.00 0.00 H new ATOM 193 N VAL A 13 6.354 -3.845 -8.269 1.00 0.00 N ATOM 194 CA VAL A 13 6.642 -4.275 -9.630 1.00 0.00 C ATOM 195 C VAL A 13 8.094 -4.735 -9.751 1.00 0.00 C ATOM 196 O VAL A 13 8.457 -5.448 -10.690 1.00 0.00 O ATOM 197 CB VAL A 13 6.365 -3.146 -10.656 1.00 0.00 C ATOM 198 CG1 VAL A 13 4.884 -2.791 -10.680 1.00 0.00 C ATOM 199 CG2 VAL A 13 7.203 -1.913 -10.343 1.00 0.00 C ATOM 0 H VAL A 13 6.950 -3.089 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 13 5.978 -5.110 -9.854 1.00 0.00 H new ATOM 0 HB VAL A 13 6.648 -3.511 -11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.712 -1.997 -11.407 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.304 -3.670 -10.959 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.575 -2.451 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.992 -1.134 -11.076 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.956 -1.549 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.261 -2.172 -10.383 1.00 0.00 H new ATOM 287 N GLY A 19 4.347 -9.359 -3.896 1.00 0.00 N ATOM 288 CA GLY A 19 3.102 -9.991 -3.527 1.00 0.00 C ATOM 289 C GLY A 19 2.348 -9.205 -2.479 1.00 0.00 C ATOM 290 O GLY A 19 1.770 -9.781 -1.557 1.00 0.00 O ATOM 0 HA2 GLY A 19 2.477 -10.103 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.304 -10.994 -3.150 1.00 0.00 H new ATOM 294 N SER A 20 2.341 -7.888 -2.615 1.00 0.00 N ATOM 295 CA SER A 20 1.689 -7.034 -1.636 1.00 0.00 C ATOM 296 C SER A 20 1.340 -5.668 -2.215 1.00 0.00 C ATOM 297 O SER A 20 2.057 -5.133 -3.062 1.00 0.00 O ATOM 298 CB SER A 20 2.596 -6.871 -0.413 1.00 0.00 C ATOM 299 OG SER A 20 3.938 -6.603 -0.802 1.00 0.00 O ATOM 0 H SER A 20 2.778 -7.389 -3.390 1.00 0.00 H new ATOM 0 HA SER A 20 0.754 -7.512 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.226 -6.058 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.563 -7.778 0.191 1.00 0.00 H new ATOM 0 HG SER A 20 4.552 -7.093 -0.217 1.00 0.00 H new ATOM 305 N LYS A 21 0.212 -5.120 -1.772 1.00 0.00 N ATOM 306 CA LYS A 21 -0.158 -3.748 -2.092 1.00 0.00 C ATOM 307 C LYS A 21 0.159 -2.863 -0.888 1.00 0.00 C ATOM 308 O LYS A 21 0.043 -3.309 0.254 1.00 0.00 O ATOM 309 CB LYS A 21 -1.650 -3.648 -2.445 1.00 0.00 C ATOM 310 CG LYS A 21 -2.080 -4.535 -3.611 1.00 0.00 C ATOM 311 CD LYS A 21 -3.479 -4.178 -4.093 1.00 0.00 C ATOM 312 CE LYS A 21 -3.945 -5.083 -5.229 1.00 0.00 C ATOM 313 NZ LYS A 21 -4.490 -6.379 -4.736 1.00 0.00 N ATOM 0 H LYS A 21 -0.464 -5.610 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 21 0.411 -3.416 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.238 -3.913 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.886 -2.611 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.372 -4.427 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.055 -5.580 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.179 -4.253 -3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.492 -3.141 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.710 -4.568 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.110 -5.276 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.931 -6.893 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.718 -6.951 -4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.202 -6.199 -4.000 1.00 0.00 H new ATOM 327 N CYS A 22 0.579 -1.628 -1.129 1.00 0.00 N ATOM 328 CA CYS A 22 0.973 -0.736 -0.045 1.00 0.00 C ATOM 329 C CYS A 22 0.605 0.709 -0.361 1.00 0.00 C ATOM 330 O CYS A 22 0.464 1.079 -1.524 1.00 0.00 O ATOM 331 CB CYS A 22 2.480 -0.842 0.201 1.00 0.00 C ATOM 332 SG CYS A 22 3.045 -2.517 0.573 1.00 0.00 S ATOM 0 H CYS A 22 0.656 -1.222 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 22 0.435 -1.040 0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.009 -0.478 -0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.750 -0.186 1.028 1.00 0.00 H new ATOM 0 HG CYS A 22 2.021 -3.315 0.644 1.00 0.00 H new ATOM 338 N VAL A 23 0.454 1.520 0.675 1.00 0.00 N ATOM 339 CA VAL A 23 0.155 2.932 0.507 1.00 0.00 C ATOM 340 C VAL A 23 1.192 3.774 1.249 1.00 0.00 C ATOM 341 O VAL A 23 1.736 3.346 2.269 1.00 0.00 O ATOM 342 CB VAL A 23 -1.270 3.267 1.007 1.00 0.00 C ATOM 343 CG1 VAL A 23 -1.392 3.072 2.513 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.672 4.681 0.612 1.00 0.00 C ATOM 0 H VAL A 23 0.535 1.221 1.647 1.00 0.00 H new ATOM 0 HA VAL A 23 0.197 3.167 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.957 2.572 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.406 3.316 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.173 2.034 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.685 3.726 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.678 4.889 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.973 5.394 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.653 4.775 -0.474 1.00 0.00 H new ATOM 354 N ILE A 24 1.482 4.954 0.721 1.00 0.00 N ATOM 355 CA ILE A 24 2.447 5.853 1.338 1.00 0.00 C ATOM 356 C ILE A 24 1.733 6.802 2.297 1.00 0.00 C ATOM 357 O ILE A 24 0.821 7.527 1.899 1.00 0.00 O ATOM 358 CB ILE A 24 3.234 6.681 0.289 1.00 0.00 C ATOM 359 CG1 ILE A 24 4.014 5.774 -0.674 1.00 0.00 C ATOM 360 CG2 ILE A 24 4.188 7.643 0.980 1.00 0.00 C ATOM 361 CD1 ILE A 24 3.169 5.160 -1.772 1.00 0.00 C ATOM 0 H ILE A 24 1.061 5.312 -0.136 1.00 0.00 H new ATOM 0 HA ILE A 24 3.163 5.235 1.880 1.00 0.00 H new ATOM 0 HB ILE A 24 2.509 7.249 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.817 6.353 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.483 4.974 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.733 8.217 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.621 8.323 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.894 7.080 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.796 4.535 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.381 4.551 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.721 5.952 -2.372 1.00 0.00 H new ATOM 373 N VAL A 25 2.149 6.791 3.559 1.00 0.00 N ATOM 374 CA VAL A 25 1.501 7.609 4.579 1.00 0.00 C ATOM 375 C VAL A 25 2.230 8.930 4.805 1.00 0.00 C ATOM 376 O VAL A 25 1.610 9.921 5.189 1.00 0.00 O ATOM 377 CB VAL A 25 1.366 6.858 5.922 1.00 0.00 C ATOM 378 CG1 VAL A 25 0.354 5.724 5.792 1.00 0.00 C ATOM 379 CG2 VAL A 25 2.719 6.328 6.393 1.00 0.00 C ATOM 0 H VAL A 25 2.928 6.228 3.899 1.00 0.00 H new ATOM 0 HA VAL A 25 0.503 7.825 4.198 1.00 0.00 H new ATOM 0 HB VAL A 25 1.006 7.561 6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.268 5.202 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.617 6.133 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.687 5.025 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.595 5.804 7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.120 5.641 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.409 7.161 6.527 1.00 0.00 H new ATOM 389 N ASP A 26 3.537 8.946 4.569 1.00 0.00 N ATOM 390 CA ASP A 26 4.325 10.157 4.763 1.00 0.00 C ATOM 391 C ASP A 26 5.576 10.128 3.895 1.00 0.00 C ATOM 392 O ASP A 26 6.221 9.085 3.746 1.00 0.00 O ATOM 393 CB ASP A 26 4.716 10.323 6.240 1.00 0.00 C ATOM 394 CG ASP A 26 5.388 11.654 6.519 1.00 0.00 C ATOM 395 OD1 ASP A 26 6.601 11.775 6.290 1.00 0.00 O ATOM 396 OD2 ASP A 26 4.698 12.596 6.967 1.00 0.00 O ATOM 0 H ASP A 26 4.071 8.139 4.245 1.00 0.00 H new ATOM 0 HA ASP A 26 3.711 11.008 4.467 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.824 10.233 6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.387 9.514 6.528 1.00 0.00 H new ATOM 401 N ILE A 27 5.892 11.268 3.299 1.00 0.00 N ATOM 402 CA ILE A 27 7.108 11.415 2.515 1.00 0.00 C ATOM 403 C ILE A 27 8.261 11.800 3.435 1.00 0.00 C ATOM 404 O ILE A 27 8.330 12.935 3.910 1.00 0.00 O ATOM 405 CB ILE A 27 6.947 12.491 1.416 1.00 0.00 C ATOM 406 CG1 ILE A 27 5.719 12.195 0.541 1.00 0.00 C ATOM 407 CG2 ILE A 27 8.203 12.571 0.560 1.00 0.00 C ATOM 408 CD1 ILE A 27 5.789 10.869 -0.186 1.00 0.00 C ATOM 0 H ILE A 27 5.318 12.110 3.344 1.00 0.00 H new ATOM 0 HA ILE A 27 7.315 10.462 2.029 1.00 0.00 H new ATOM 0 HB ILE A 27 6.797 13.455 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.827 12.208 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.606 12.994 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 8.072 13.333 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.055 12.831 1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.383 11.606 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.887 10.733 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.661 10.858 -0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.870 10.060 0.540 1.00 0.00 H new ATOM 420 N ILE A 28 9.148 10.854 3.699 1.00 0.00 N ATOM 421 CA ILE A 28 10.244 11.076 4.629 1.00 0.00 C ATOM 422 C ILE A 28 11.340 11.915 3.978 1.00 0.00 C ATOM 423 O ILE A 28 11.683 12.994 4.462 1.00 0.00 O ATOM 424 CB ILE A 28 10.841 9.741 5.120 1.00 0.00 C ATOM 425 CG1 ILE A 28 9.743 8.847 5.714 1.00 0.00 C ATOM 426 CG2 ILE A 28 11.937 9.990 6.147 1.00 0.00 C ATOM 427 CD1 ILE A 28 9.057 9.436 6.931 1.00 0.00 C ATOM 0 H ILE A 28 9.130 9.923 3.282 1.00 0.00 H new ATOM 0 HA ILE A 28 9.840 11.613 5.487 1.00 0.00 H new ATOM 0 HB ILE A 28 11.281 9.227 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.994 8.652 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.179 7.886 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 28 12.346 9.036 6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 28 12.730 10.586 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.521 10.526 7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.295 8.744 7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.793 9.605 7.717 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.589 10.383 6.662 1.00 0.00 H new ATOM 439 N ASP A 29 11.867 11.419 2.868 1.00 0.00 N ATOM 440 CA ASP A 29 12.942 12.095 2.154 1.00 0.00 C ATOM 441 C ASP A 29 12.681 12.081 0.658 1.00 0.00 C ATOM 442 O ASP A 29 11.613 11.670 0.208 1.00 0.00 O ATOM 443 CB ASP A 29 14.295 11.432 2.436 1.00 0.00 C ATOM 444 CG ASP A 29 14.798 11.683 3.845 1.00 0.00 C ATOM 445 OD1 ASP A 29 15.079 12.854 4.181 1.00 0.00 O ATOM 446 OD2 ASP A 29 14.921 10.713 4.621 1.00 0.00 O ATOM 0 H ASP A 29 11.565 10.544 2.439 1.00 0.00 H new ATOM 0 HA ASP A 29 12.973 13.126 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.207 10.358 2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.031 11.803 1.722 1.00 0.00 H new ATOM 451 N ASP A 30 13.672 12.529 -0.104 1.00 0.00 N ATOM 452 CA ASP A 30 13.587 12.563 -1.564 1.00 0.00 C ATOM 453 C ASP A 30 13.464 11.157 -2.151 1.00 0.00 C ATOM 454 O ASP A 30 12.751 10.944 -3.131 1.00 0.00 O ATOM 455 CB ASP A 30 14.826 13.262 -2.136 1.00 0.00 C ATOM 456 CG ASP A 30 14.886 13.223 -3.651 1.00 0.00 C ATOM 457 OD1 ASP A 30 14.242 14.071 -4.300 1.00 0.00 O ATOM 458 OD2 ASP A 30 15.589 12.348 -4.199 1.00 0.00 O ATOM 0 H ASP A 30 14.555 12.878 0.268 1.00 0.00 H new ATOM 0 HA ASP A 30 12.691 13.119 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.835 14.300 -1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.721 12.790 -1.731 1.00 0.00 H new ATOM 463 N ASN A 31 14.162 10.206 -1.547 1.00 0.00 N ATOM 464 CA ASN A 31 14.163 8.834 -2.041 1.00 0.00 C ATOM 465 C ASN A 31 13.443 7.902 -1.066 1.00 0.00 C ATOM 466 O ASN A 31 12.840 6.909 -1.469 1.00 0.00 O ATOM 467 CB ASN A 31 15.608 8.367 -2.268 1.00 0.00 C ATOM 468 CG ASN A 31 15.708 6.963 -2.843 1.00 0.00 C ATOM 469 OD1 ASN A 31 14.811 6.492 -3.541 1.00 0.00 O ATOM 470 ND2 ASN A 31 16.821 6.292 -2.572 1.00 0.00 N ATOM 0 H ASN A 31 14.734 10.357 -0.716 1.00 0.00 H new ATOM 0 HA ASN A 31 13.626 8.803 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 31 16.105 9.064 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 31 16.146 8.402 -1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.954 5.353 -2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 31 17.543 6.716 -1.989 1.00 0.00 H new ATOM 477 N PHE A 32 13.492 8.238 0.218 1.00 0.00 N ATOM 478 CA PHE A 32 12.892 7.398 1.247 1.00 0.00 C ATOM 479 C PHE A 32 11.462 7.824 1.559 1.00 0.00 C ATOM 480 O PHE A 32 11.202 8.975 1.907 1.00 0.00 O ATOM 481 CB PHE A 32 13.730 7.424 2.527 1.00 0.00 C ATOM 482 CG PHE A 32 14.996 6.618 2.440 1.00 0.00 C ATOM 483 CD1 PHE A 32 16.168 7.186 1.972 1.00 0.00 C ATOM 484 CD2 PHE A 32 15.009 5.290 2.828 1.00 0.00 C ATOM 485 CE1 PHE A 32 17.330 6.446 1.893 1.00 0.00 C ATOM 486 CE2 PHE A 32 16.169 4.542 2.753 1.00 0.00 C ATOM 487 CZ PHE A 32 17.331 5.121 2.284 1.00 0.00 C ATOM 0 H PHE A 32 13.940 9.084 0.570 1.00 0.00 H new ATOM 0 HA PHE A 32 12.867 6.381 0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.984 8.457 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.127 7.047 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 32 16.173 8.221 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 32 14.102 4.832 3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 32 18.238 6.902 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 32 16.166 3.507 3.061 1.00 0.00 H new ATOM 0 HZ PHE A 32 18.239 4.539 2.223 1.00 0.00 H new ATOM 497 N VAL A 33 10.543 6.883 1.431 1.00 0.00 N ATOM 498 CA VAL A 33 9.146 7.121 1.760 1.00 0.00 C ATOM 499 C VAL A 33 8.652 6.060 2.738 1.00 0.00 C ATOM 500 O VAL A 33 9.171 4.940 2.762 1.00 0.00 O ATOM 501 CB VAL A 33 8.251 7.123 0.501 1.00 0.00 C ATOM 502 CG1 VAL A 33 8.605 8.288 -0.411 1.00 0.00 C ATOM 503 CG2 VAL A 33 8.366 5.804 -0.250 1.00 0.00 C ATOM 0 H VAL A 33 10.740 5.939 1.099 1.00 0.00 H new ATOM 0 HA VAL A 33 9.081 8.107 2.220 1.00 0.00 H new ATOM 0 HB VAL A 33 7.217 7.242 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.962 8.269 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.460 9.226 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.647 8.204 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.726 5.831 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.400 5.649 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.054 4.987 0.400 1.00 0.00 H new ATOM 513 N LEU A 34 7.666 6.407 3.552 1.00 0.00 N ATOM 514 CA LEU A 34 7.132 5.467 4.522 1.00 0.00 C ATOM 515 C LEU A 34 5.882 4.806 3.951 1.00 0.00 C ATOM 516 O LEU A 34 4.875 5.473 3.694 1.00 0.00 O ATOM 517 CB LEU A 34 6.812 6.188 5.839 1.00 0.00 C ATOM 518 CG LEU A 34 6.924 5.337 7.113 1.00 0.00 C ATOM 519 CD1 LEU A 34 6.780 6.210 8.350 1.00 0.00 C ATOM 520 CD2 LEU A 34 5.885 4.226 7.132 1.00 0.00 C ATOM 0 H LEU A 34 7.223 7.326 3.560 1.00 0.00 H new ATOM 0 HA LEU A 34 7.876 4.698 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.482 7.042 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.798 6.584 5.777 1.00 0.00 H new ATOM 0 HG LEU A 34 7.911 4.875 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.862 5.591 9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.567 6.964 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.807 6.702 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.992 3.643 8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.886 4.661 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.031 3.577 6.269 1.00 0.00 H new ATOM 532 N VAL A 35 5.952 3.501 3.752 1.00 0.00 N ATOM 533 CA VAL A 35 4.846 2.757 3.178 1.00 0.00 C ATOM 534 C VAL A 35 4.278 1.771 4.190 1.00 0.00 C ATOM 535 O VAL A 35 4.982 1.311 5.095 1.00 0.00 O ATOM 536 CB VAL A 35 5.270 1.994 1.900 1.00 0.00 C ATOM 537 CG1 VAL A 35 5.737 2.965 0.825 1.00 0.00 C ATOM 538 CG2 VAL A 35 6.357 0.974 2.207 1.00 0.00 C ATOM 0 H VAL A 35 6.768 2.933 3.981 1.00 0.00 H new ATOM 0 HA VAL A 35 4.079 3.483 2.907 1.00 0.00 H new ATOM 0 HB VAL A 35 4.399 1.457 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.031 2.409 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.926 3.648 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.590 3.534 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.636 0.453 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.230 1.484 2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.985 0.254 2.936 1.00 0.00 H new ATOM 548 N THR A 36 2.998 1.475 4.052 1.00 0.00 N ATOM 549 CA THR A 36 2.327 0.521 4.914 1.00 0.00 C ATOM 550 C THR A 36 0.967 0.168 4.329 1.00 0.00 C ATOM 551 O THR A 36 0.532 0.770 3.347 1.00 0.00 O ATOM 552 CB THR A 36 2.152 1.077 6.354 1.00 0.00 C ATOM 553 OG1 THR A 36 1.458 0.134 7.189 1.00 0.00 O ATOM 554 CG2 THR A 36 1.388 2.392 6.344 1.00 0.00 C ATOM 0 H THR A 36 2.396 1.889 3.340 1.00 0.00 H new ATOM 0 HA THR A 36 2.947 -0.373 4.973 1.00 0.00 H new ATOM 0 HB THR A 36 3.150 1.247 6.758 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.516 0.394 7.264 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.280 2.758 7.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.934 3.126 5.751 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.401 2.236 5.908 1.00 0.00 H new ATOM 562 N GLY A 37 0.323 -0.821 4.910 1.00 0.00 N ATOM 563 CA GLY A 37 -1.036 -1.139 4.551 1.00 0.00 C ATOM 564 C GLY A 37 -1.888 -1.238 5.791 1.00 0.00 C ATOM 565 O GLY A 37 -1.345 -1.223 6.899 1.00 0.00 O ATOM 0 H GLY A 37 0.722 -1.418 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.434 -0.372 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.065 -2.081 4.004 1.00 0.00 H new ATOM 569 N PRO A 38 -3.218 -1.317 5.654 1.00 0.00 N ATOM 570 CA PRO A 38 -4.100 -1.516 6.797 1.00 0.00 C ATOM 571 C PRO A 38 -3.895 -2.896 7.407 1.00 0.00 C ATOM 572 O PRO A 38 -4.473 -3.879 6.950 1.00 0.00 O ATOM 573 CB PRO A 38 -5.509 -1.378 6.207 1.00 0.00 C ATOM 574 CG PRO A 38 -5.348 -1.666 4.754 1.00 0.00 C ATOM 575 CD PRO A 38 -3.961 -1.219 4.386 1.00 0.00 C ATOM 0 HA PRO A 38 -3.913 -0.804 7.601 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.203 -2.078 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.909 -0.377 6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.480 -2.729 4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.097 -1.134 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.526 -1.856 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.958 -0.201 3.997 1.00 0.00 H new ATOM 583 N LYS A 39 -3.070 -2.954 8.444 1.00 0.00 N ATOM 584 CA LYS A 39 -2.655 -4.223 9.046 1.00 0.00 C ATOM 585 C LYS A 39 -3.777 -4.826 9.878 1.00 0.00 C ATOM 586 O LYS A 39 -3.620 -5.871 10.509 1.00 0.00 O ATOM 587 CB LYS A 39 -1.400 -4.012 9.894 1.00 0.00 C ATOM 588 CG LYS A 39 -1.543 -2.917 10.934 1.00 0.00 C ATOM 589 CD LYS A 39 -0.192 -2.485 11.485 1.00 0.00 C ATOM 590 CE LYS A 39 0.745 -2.011 10.378 1.00 0.00 C ATOM 591 NZ LYS A 39 0.146 -0.927 9.553 1.00 0.00 N ATOM 0 H LYS A 39 -2.669 -2.130 8.893 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.423 -4.927 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.150 -4.947 10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.565 -3.770 9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.047 -2.058 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.173 -3.270 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.334 -1.683 12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.267 -3.318 12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.675 -1.655 10.821 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.000 -2.854 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.807 -0.663 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.746 -1.261 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.042 -0.098 10.152 1.00 0.00 H new ATOM 605 N ASP A 40 -4.903 -4.141 9.875 1.00 0.00 N ATOM 606 CA ASP A 40 -6.118 -4.633 10.508 1.00 0.00 C ATOM 607 C ASP A 40 -6.957 -5.414 9.490 1.00 0.00 C ATOM 608 O ASP A 40 -7.902 -6.122 9.842 1.00 0.00 O ATOM 609 CB ASP A 40 -6.901 -3.444 11.072 1.00 0.00 C ATOM 610 CG ASP A 40 -8.162 -3.842 11.807 1.00 0.00 C ATOM 611 OD1 ASP A 40 -8.070 -4.583 12.805 1.00 0.00 O ATOM 612 OD2 ASP A 40 -9.250 -3.370 11.417 1.00 0.00 O ATOM 0 H ASP A 40 -5.005 -3.227 9.434 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.868 -5.310 11.325 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.257 -2.884 11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.164 -2.772 10.255 1.00 0.00 H new ATOM 617 N ILE A 41 -6.587 -5.281 8.220 1.00 0.00 N ATOM 618 CA ILE A 41 -7.268 -5.971 7.129 1.00 0.00 C ATOM 619 C ILE A 41 -6.287 -6.875 6.379 1.00 0.00 C ATOM 620 O ILE A 41 -6.521 -8.078 6.227 1.00 0.00 O ATOM 621 CB ILE A 41 -7.925 -4.972 6.131 1.00 0.00 C ATOM 622 CG1 ILE A 41 -9.201 -4.353 6.712 1.00 0.00 C ATOM 623 CG2 ILE A 41 -8.246 -5.637 4.805 1.00 0.00 C ATOM 624 CD1 ILE A 41 -8.957 -3.276 7.743 1.00 0.00 C ATOM 0 H ILE A 41 -5.809 -4.694 7.918 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.060 -6.575 7.572 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.196 -4.180 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.790 -3.932 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.801 -5.143 7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.703 -4.909 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.328 -6.017 4.357 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.938 -6.463 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.912 -2.892 8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.396 -3.693 8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.386 -2.464 7.293 1.00 0.00 H new ATOM 636 N THR A 42 -5.185 -6.290 5.932 1.00 0.00 N ATOM 637 CA THR A 42 -4.183 -7.010 5.162 1.00 0.00 C ATOM 638 C THR A 42 -2.878 -7.099 5.959 1.00 0.00 C ATOM 639 O THR A 42 -2.595 -6.234 6.787 1.00 0.00 O ATOM 640 CB THR A 42 -3.929 -6.294 3.816 1.00 0.00 C ATOM 641 OG1 THR A 42 -5.180 -5.901 3.230 1.00 0.00 O ATOM 642 CG2 THR A 42 -3.184 -7.199 2.847 1.00 0.00 C ATOM 0 H THR A 42 -4.962 -5.308 6.092 1.00 0.00 H new ATOM 0 HA THR A 42 -4.549 -8.017 4.962 1.00 0.00 H new ATOM 0 HB THR A 42 -3.317 -5.414 4.012 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.039 -5.128 2.645 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.019 -6.670 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.224 -7.481 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.775 -8.095 2.659 1.00 0.00 H new ATOM 650 N GLY A 43 -2.085 -8.137 5.713 1.00 0.00 N ATOM 651 CA GLY A 43 -0.861 -8.335 6.473 1.00 0.00 C ATOM 652 C GLY A 43 0.293 -7.483 5.977 1.00 0.00 C ATOM 653 O GLY A 43 1.380 -7.996 5.708 1.00 0.00 O ATOM 0 H GLY A 43 -2.267 -8.845 5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.050 -8.105 7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.576 -9.386 6.424 1.00 0.00 H new ATOM 657 N VAL A 44 0.065 -6.182 5.864 1.00 0.00 N ATOM 658 CA VAL A 44 1.099 -5.259 5.418 1.00 0.00 C ATOM 659 C VAL A 44 1.453 -4.290 6.540 1.00 0.00 C ATOM 660 O VAL A 44 0.580 -3.631 7.102 1.00 0.00 O ATOM 661 CB VAL A 44 0.664 -4.463 4.169 1.00 0.00 C ATOM 662 CG1 VAL A 44 1.797 -3.578 3.676 1.00 0.00 C ATOM 663 CG2 VAL A 44 0.200 -5.399 3.067 1.00 0.00 C ATOM 0 H VAL A 44 -0.830 -5.741 6.076 1.00 0.00 H new ATOM 0 HA VAL A 44 1.972 -5.854 5.150 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.174 -3.825 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.470 -3.025 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.078 -2.876 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.656 -4.197 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.102 -4.816 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.015 -6.068 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.647 -5.986 3.421 1.00 0.00 H new ATOM 673 N LYS A 45 2.735 -4.208 6.860 1.00 0.00 N ATOM 674 CA LYS A 45 3.195 -3.397 7.977 1.00 0.00 C ATOM 675 C LYS A 45 4.037 -2.223 7.490 1.00 0.00 C ATOM 676 O LYS A 45 4.390 -2.157 6.313 1.00 0.00 O ATOM 677 CB LYS A 45 3.973 -4.273 8.960 1.00 0.00 C ATOM 678 CG LYS A 45 3.105 -5.356 9.584 1.00 0.00 C ATOM 679 CD LYS A 45 3.887 -6.252 10.521 1.00 0.00 C ATOM 680 CE LYS A 45 2.967 -7.248 11.208 1.00 0.00 C ATOM 681 NZ LYS A 45 3.713 -8.178 12.090 1.00 0.00 N ATOM 0 H LYS A 45 3.478 -4.695 6.360 1.00 0.00 H new ATOM 0 HA LYS A 45 2.331 -2.979 8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.813 -4.737 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.391 -3.647 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.285 -4.891 10.130 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.659 -5.961 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.657 -6.786 9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.398 -5.646 11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.224 -6.709 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.425 -7.820 10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.048 -8.840 12.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.405 -8.712 11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.210 -7.636 12.825 1.00 0.00 H new ATOM 695 N ARG A 46 4.353 -1.299 8.391 1.00 0.00 N ATOM 696 CA ARG A 46 5.003 -0.054 7.998 1.00 0.00 C ATOM 697 C ARG A 46 6.516 -0.198 7.890 1.00 0.00 C ATOM 698 O ARG A 46 7.162 -0.812 8.739 1.00 0.00 O ATOM 699 CB ARG A 46 4.627 1.092 8.953 1.00 0.00 C ATOM 700 CG ARG A 46 4.623 0.730 10.439 1.00 0.00 C ATOM 701 CD ARG A 46 5.790 1.353 11.199 1.00 0.00 C ATOM 702 NE ARG A 46 7.058 0.698 10.894 1.00 0.00 N ATOM 703 CZ ARG A 46 8.176 0.863 11.597 1.00 0.00 C ATOM 704 NH1 ARG A 46 8.202 1.692 12.633 1.00 0.00 N ATOM 705 NH2 ARG A 46 9.273 0.200 11.250 1.00 0.00 N ATOM 0 H ARG A 46 4.171 -1.387 9.391 1.00 0.00 H new ATOM 0 HA ARG A 46 4.635 0.193 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.324 1.915 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.637 1.458 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.686 1.060 10.887 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.663 -0.354 10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.860 2.412 10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.599 1.290 12.270 1.00 0.00 H new ATOM 0 HE ARG A 46 7.089 0.072 10.089 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.362 2.207 12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.062 1.814 13.167 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.255 -0.431 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.133 0.322 11.785 1.00 0.00 H new ATOM 719 N ARG A 47 7.066 0.373 6.824 1.00 0.00 N ATOM 720 CA ARG A 47 8.505 0.411 6.600 1.00 0.00 C ATOM 721 C ARG A 47 8.870 1.614 5.739 1.00 0.00 C ATOM 722 O ARG A 47 8.073 2.055 4.910 1.00 0.00 O ATOM 723 CB ARG A 47 8.996 -0.863 5.907 1.00 0.00 C ATOM 724 CG ARG A 47 9.458 -1.955 6.858 1.00 0.00 C ATOM 725 CD ARG A 47 10.053 -3.122 6.091 1.00 0.00 C ATOM 726 NE ARG A 47 10.700 -4.097 6.968 1.00 0.00 N ATOM 727 CZ ARG A 47 11.823 -4.742 6.658 1.00 0.00 C ATOM 728 NH1 ARG A 47 12.424 -4.510 5.498 1.00 0.00 N ATOM 729 NH2 ARG A 47 12.347 -5.622 7.502 1.00 0.00 N ATOM 0 H ARG A 47 6.523 0.824 6.088 1.00 0.00 H new ATOM 0 HA ARG A 47 8.987 0.488 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.193 -1.256 5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.819 -0.606 5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.199 -1.552 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.617 -2.300 7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.267 -3.617 5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.780 -2.747 5.371 1.00 0.00 H new ATOM 0 HE ARG A 47 10.266 -4.295 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.026 -3.837 4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.284 -5.004 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.889 -5.808 8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.207 -6.113 7.258 1.00 0.00 H new ATOM 743 N ARG A 48 10.061 2.151 5.947 1.00 0.00 N ATOM 744 CA ARG A 48 10.565 3.232 5.108 1.00 0.00 C ATOM 745 C ARG A 48 11.494 2.670 4.033 1.00 0.00 C ATOM 746 O ARG A 48 12.548 2.110 4.334 1.00 0.00 O ATOM 747 CB ARG A 48 11.278 4.298 5.950 1.00 0.00 C ATOM 748 CG ARG A 48 12.338 3.746 6.887 1.00 0.00 C ATOM 749 CD ARG A 48 13.061 4.856 7.634 1.00 0.00 C ATOM 750 NE ARG A 48 13.878 5.673 6.736 1.00 0.00 N ATOM 751 CZ ARG A 48 14.196 6.946 6.969 1.00 0.00 C ATOM 752 NH1 ARG A 48 13.722 7.571 8.042 1.00 0.00 N ATOM 753 NH2 ARG A 48 14.978 7.604 6.122 1.00 0.00 N ATOM 0 H ARG A 48 10.698 1.858 6.688 1.00 0.00 H new ATOM 0 HA ARG A 48 9.719 3.714 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 48 11.742 5.022 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.535 4.837 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.873 3.068 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 48 13.060 3.161 6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.332 5.489 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.695 4.421 8.407 1.00 0.00 H new ATOM 0 HE ARG A 48 14.225 5.242 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.111 7.076 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.969 8.545 8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 48 15.337 7.135 5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.220 8.578 6.303 1.00 0.00 H new ATOM 767 N VAL A 49 11.087 2.807 2.780 1.00 0.00 N ATOM 768 CA VAL A 49 11.835 2.239 1.664 1.00 0.00 C ATOM 769 C VAL A 49 12.159 3.305 0.627 1.00 0.00 C ATOM 770 O VAL A 49 11.761 4.461 0.773 1.00 0.00 O ATOM 771 CB VAL A 49 11.059 1.092 0.982 1.00 0.00 C ATOM 772 CG1 VAL A 49 10.864 -0.071 1.937 1.00 0.00 C ATOM 773 CG2 VAL A 49 9.718 1.582 0.454 1.00 0.00 C ATOM 0 H VAL A 49 10.241 3.308 2.508 1.00 0.00 H new ATOM 0 HA VAL A 49 12.761 1.839 2.077 1.00 0.00 H new ATOM 0 HB VAL A 49 11.651 0.743 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.315 -0.867 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.836 -0.447 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.301 0.264 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.190 0.755 -0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.120 1.966 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.882 2.376 -0.275 1.00 0.00 H new ATOM 783 N ASN A 50 12.877 2.912 -0.417 1.00 0.00 N ATOM 784 CA ASN A 50 13.219 3.828 -1.495 1.00 0.00 C ATOM 785 C ASN A 50 12.230 3.683 -2.647 1.00 0.00 C ATOM 786 O ASN A 50 11.641 2.615 -2.846 1.00 0.00 O ATOM 787 CB ASN A 50 14.651 3.583 -1.993 1.00 0.00 C ATOM 788 CG ASN A 50 14.859 2.205 -2.600 1.00 0.00 C ATOM 789 OD1 ASN A 50 14.278 1.209 -2.160 1.00 0.00 O ATOM 790 ND2 ASN A 50 15.694 2.132 -3.625 1.00 0.00 N ATOM 0 H ASN A 50 13.234 1.964 -0.539 1.00 0.00 H new ATOM 0 HA ASN A 50 13.163 4.844 -1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.902 4.340 -2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.343 3.712 -1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.872 1.234 -4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.159 2.974 -3.965 1.00 0.00 H new ATOM 797 N ILE A 51 12.046 4.756 -3.403 1.00 0.00 N ATOM 798 CA ILE A 51 11.102 4.767 -4.507 1.00 0.00 C ATOM 799 C ILE A 51 11.673 4.079 -5.748 1.00 0.00 C ATOM 800 O ILE A 51 12.144 4.729 -6.683 1.00 0.00 O ATOM 801 CB ILE A 51 10.653 6.204 -4.848 1.00 0.00 C ATOM 802 CG1 ILE A 51 11.858 7.150 -4.953 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.669 6.708 -3.804 1.00 0.00 C ATOM 804 CD1 ILE A 51 11.491 8.570 -5.330 1.00 0.00 C ATOM 0 H ILE A 51 12.544 5.636 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 51 10.228 4.202 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 51 10.157 6.185 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.383 7.162 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.554 6.756 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.360 7.722 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.795 6.057 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.146 6.707 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.395 9.177 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.994 8.572 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.820 8.984 -4.578 1.00 0.00 H new ATOM 816 N LEU A 52 11.651 2.754 -5.727 1.00 0.00 N ATOM 817 CA LEU A 52 12.140 1.953 -6.841 1.00 0.00 C ATOM 818 C LEU A 52 11.634 0.516 -6.706 1.00 0.00 C ATOM 819 O LEU A 52 12.324 -0.440 -7.056 1.00 0.00 O ATOM 820 CB LEU A 52 13.677 1.981 -6.870 1.00 0.00 C ATOM 821 CG LEU A 52 14.328 1.384 -8.120 1.00 0.00 C ATOM 822 CD1 LEU A 52 13.912 2.156 -9.362 1.00 0.00 C ATOM 823 CD2 LEU A 52 15.843 1.380 -7.979 1.00 0.00 C ATOM 0 H LEU A 52 11.296 2.206 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 52 11.766 2.370 -7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.005 3.016 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.048 1.444 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 52 13.987 0.354 -8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.385 1.716 -10.240 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.829 2.110 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.223 3.196 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.291 0.952 -8.876 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.199 2.402 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.126 0.783 -7.112 1.00 0.00 H new ATOM 835 N HIS A 53 10.416 0.360 -6.197 1.00 0.00 N ATOM 836 CA HIS A 53 9.876 -0.975 -5.952 1.00 0.00 C ATOM 837 C HIS A 53 8.424 -1.105 -6.389 1.00 0.00 C ATOM 838 O HIS A 53 8.017 -2.151 -6.896 1.00 0.00 O ATOM 839 CB HIS A 53 9.993 -1.352 -4.470 1.00 0.00 C ATOM 840 CG HIS A 53 11.402 -1.543 -4.004 1.00 0.00 C ATOM 841 ND1 HIS A 53 12.185 -2.605 -4.402 1.00 0.00 N ATOM 842 CD2 HIS A 53 12.171 -0.799 -3.180 1.00 0.00 C ATOM 843 CE1 HIS A 53 13.376 -2.504 -3.840 1.00 0.00 C ATOM 844 NE2 HIS A 53 13.395 -1.414 -3.094 1.00 0.00 N ATOM 0 H HIS A 53 9.792 1.128 -5.949 1.00 0.00 H new ATOM 0 HA HIS A 53 10.473 -1.660 -6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.524 -0.573 -3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.434 -2.271 -4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.877 0.112 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.196 -3.195 -3.969 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.188 -1.084 -2.545 1.00 0.00 H new ATOM 853 N LEU A 54 7.641 -0.055 -6.198 1.00 0.00 N ATOM 854 CA LEU A 54 6.214 -0.134 -6.459 1.00 0.00 C ATOM 855 C LEU A 54 5.743 0.962 -7.409 1.00 0.00 C ATOM 856 O LEU A 54 6.382 2.010 -7.544 1.00 0.00 O ATOM 857 CB LEU A 54 5.385 -0.133 -5.143 1.00 0.00 C ATOM 858 CG LEU A 54 5.727 0.894 -4.033 1.00 0.00 C ATOM 859 CD1 LEU A 54 7.066 0.594 -3.373 1.00 0.00 C ATOM 860 CD2 LEU A 54 5.700 2.324 -4.550 1.00 0.00 C ATOM 0 H LEU A 54 7.966 0.853 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 54 6.041 -1.089 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.340 0.013 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.464 -1.128 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 54 4.948 0.796 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.266 1.338 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.035 -0.398 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.857 0.627 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.945 3.009 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.430 2.435 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.705 2.554 -4.931 1.00 0.00 H new ATOM 872 N GLU A 55 4.640 0.684 -8.092 1.00 0.00 N ATOM 873 CA GLU A 55 3.986 1.658 -8.949 1.00 0.00 C ATOM 874 C GLU A 55 2.529 1.815 -8.530 1.00 0.00 C ATOM 875 O GLU A 55 1.871 0.835 -8.171 1.00 0.00 O ATOM 876 CB GLU A 55 4.077 1.243 -10.420 1.00 0.00 C ATOM 877 CG GLU A 55 5.486 1.302 -10.989 1.00 0.00 C ATOM 878 CD GLU A 55 5.509 1.182 -12.501 1.00 0.00 C ATOM 879 OE1 GLU A 55 5.549 0.046 -13.015 1.00 0.00 O ATOM 880 OE2 GLU A 55 5.478 2.229 -13.185 1.00 0.00 O ATOM 0 H GLU A 55 4.175 -0.224 -8.066 1.00 0.00 H new ATOM 0 HA GLU A 55 4.496 2.615 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.695 0.228 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.429 1.890 -11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.954 2.242 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.083 0.500 -10.555 1.00 0.00 H new ATOM 887 N PRO A 56 2.010 3.051 -8.558 1.00 0.00 N ATOM 888 CA PRO A 56 0.658 3.360 -8.076 1.00 0.00 C ATOM 889 C PRO A 56 -0.449 2.726 -8.918 1.00 0.00 C ATOM 890 O PRO A 56 -0.272 2.461 -10.109 1.00 0.00 O ATOM 891 CB PRO A 56 0.585 4.888 -8.170 1.00 0.00 C ATOM 892 CG PRO A 56 1.597 5.261 -9.197 1.00 0.00 C ATOM 893 CD PRO A 56 2.703 4.251 -9.066 1.00 0.00 C ATOM 0 HA PRO A 56 0.499 2.964 -7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.412 5.218 -8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.807 5.353 -7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.165 5.241 -10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.969 6.272 -9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.188 4.060 -10.023 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.477 4.590 -8.378 1.00 0.00 H new ATOM 901 N THR A 57 -1.582 2.477 -8.278 1.00 0.00 N ATOM 902 CA THR A 57 -2.768 1.969 -8.954 1.00 0.00 C ATOM 903 C THR A 57 -3.657 3.133 -9.387 1.00 0.00 C ATOM 904 O THR A 57 -3.218 4.286 -9.389 1.00 0.00 O ATOM 905 CB THR A 57 -3.573 1.017 -8.043 1.00 0.00 C ATOM 906 OG1 THR A 57 -3.985 1.708 -6.856 1.00 0.00 O ATOM 907 CG2 THR A 57 -2.746 -0.202 -7.661 1.00 0.00 C ATOM 0 H THR A 57 -1.706 2.621 -7.276 1.00 0.00 H new ATOM 0 HA THR A 57 -2.440 1.408 -9.829 1.00 0.00 H new ATOM 0 HB THR A 57 -4.451 0.681 -8.595 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.203 1.888 -6.294 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.337 -0.856 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.457 -0.743 -8.562 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.851 0.118 -7.127 1.00 0.00 H new ATOM 915 N ASP A 58 -4.896 2.838 -9.754 1.00 0.00 N ATOM 916 CA ASP A 58 -5.832 3.869 -10.196 1.00 0.00 C ATOM 917 C ASP A 58 -6.462 4.584 -9.001 1.00 0.00 C ATOM 918 O ASP A 58 -6.954 5.703 -9.125 1.00 0.00 O ATOM 919 CB ASP A 58 -6.949 3.258 -11.052 1.00 0.00 C ATOM 920 CG ASP A 58 -6.441 2.373 -12.174 1.00 0.00 C ATOM 921 OD1 ASP A 58 -6.173 2.887 -13.281 1.00 0.00 O ATOM 922 OD2 ASP A 58 -6.328 1.143 -11.959 1.00 0.00 O ATOM 0 H ASP A 58 -5.279 1.893 -9.755 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.268 4.587 -10.791 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.608 2.674 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.549 4.062 -11.478 1.00 0.00 H new ATOM 927 N LYS A 59 -6.440 3.933 -7.844 1.00 0.00 N ATOM 928 CA LYS A 59 -7.146 4.439 -6.674 1.00 0.00 C ATOM 929 C LYS A 59 -6.238 5.225 -5.738 1.00 0.00 C ATOM 930 O LYS A 59 -5.052 4.924 -5.586 1.00 0.00 O ATOM 931 CB LYS A 59 -7.802 3.290 -5.909 1.00 0.00 C ATOM 932 CG LYS A 59 -9.092 2.794 -6.539 1.00 0.00 C ATOM 933 CD LYS A 59 -10.135 3.898 -6.583 1.00 0.00 C ATOM 934 CE LYS A 59 -11.480 3.384 -7.056 1.00 0.00 C ATOM 935 NZ LYS A 59 -12.497 4.465 -7.083 1.00 0.00 N ATOM 0 H LYS A 59 -5.942 3.056 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.911 5.123 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.098 2.460 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.008 3.615 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.893 2.436 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.477 1.947 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.242 4.336 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.795 4.692 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.377 2.955 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.816 2.583 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.405 4.079 -7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.613 4.857 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.187 5.218 -7.730 1.00 0.00 H new ATOM 949 N LYS A 60 -6.821 6.237 -5.114 1.00 0.00 N ATOM 950 CA LYS A 60 -6.133 7.038 -4.115 1.00 0.00 C ATOM 951 C LYS A 60 -7.071 7.316 -2.950 1.00 0.00 C ATOM 952 O LYS A 60 -8.149 7.874 -3.144 1.00 0.00 O ATOM 953 CB LYS A 60 -5.680 8.376 -4.703 1.00 0.00 C ATOM 954 CG LYS A 60 -4.692 9.122 -3.813 1.00 0.00 C ATOM 955 CD LYS A 60 -4.740 10.629 -4.018 1.00 0.00 C ATOM 956 CE LYS A 60 -5.764 11.282 -3.099 1.00 0.00 C ATOM 957 NZ LYS A 60 -5.776 12.765 -3.229 1.00 0.00 N ATOM 0 H LYS A 60 -7.784 6.526 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.259 6.481 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.221 8.201 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.554 9.005 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.906 8.894 -2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.683 8.764 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.755 11.055 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.988 10.849 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.756 10.891 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.546 11.012 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.439 13.169 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.821 13.137 -3.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.076 13.027 -4.190 1.00 0.00 H new ATOM 971 N ILE A 61 -6.671 6.926 -1.752 1.00 0.00 N ATOM 972 CA ILE A 61 -7.413 7.297 -0.560 1.00 0.00 C ATOM 973 C ILE A 61 -6.890 8.633 -0.046 1.00 0.00 C ATOM 974 O ILE A 61 -5.745 8.744 0.388 1.00 0.00 O ATOM 975 CB ILE A 61 -7.347 6.213 0.546 1.00 0.00 C ATOM 976 CG1 ILE A 61 -5.899 5.799 0.829 1.00 0.00 C ATOM 977 CG2 ILE A 61 -8.182 5.003 0.144 1.00 0.00 C ATOM 978 CD1 ILE A 61 -5.762 4.793 1.950 1.00 0.00 C ATOM 0 H ILE A 61 -5.843 6.357 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.465 7.389 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.757 6.635 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.467 5.379 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.318 6.687 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.129 4.248 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.219 5.307 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.796 4.588 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.709 4.548 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.164 5.217 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.314 3.888 1.696 1.00 0.00 H new ATOM 990 N ASP A 62 -7.724 9.655 -0.149 1.00 0.00 N ATOM 991 CA ASP A 62 -7.302 11.021 0.142 1.00 0.00 C ATOM 992 C ASP A 62 -6.964 11.197 1.617 1.00 0.00 C ATOM 993 O ASP A 62 -7.854 11.300 2.462 1.00 0.00 O ATOM 994 CB ASP A 62 -8.390 12.007 -0.279 1.00 0.00 C ATOM 995 CG ASP A 62 -7.910 13.442 -0.265 1.00 0.00 C ATOM 996 OD1 ASP A 62 -7.225 13.844 -1.231 1.00 0.00 O ATOM 997 OD2 ASP A 62 -8.234 14.177 0.691 1.00 0.00 O ATOM 0 H ASP A 62 -8.700 9.567 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.397 11.224 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.737 11.753 -1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.245 11.907 0.390 1.00 0.00 H new ATOM 1002 N ILE A 63 -5.674 11.218 1.913 1.00 0.00 N ATOM 1003 CA ILE A 63 -5.191 11.386 3.275 1.00 0.00 C ATOM 1004 C ILE A 63 -4.212 12.553 3.350 1.00 0.00 C ATOM 1005 O ILE A 63 -4.003 13.267 2.367 1.00 0.00 O ATOM 1006 CB ILE A 63 -4.496 10.108 3.805 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -3.327 9.714 2.896 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -5.497 8.967 3.923 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -2.533 8.528 3.402 1.00 0.00 C ATOM 0 H ILE A 63 -4.934 11.119 1.218 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.061 11.588 3.900 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.098 10.318 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.713 9.484 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.658 10.568 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.991 8.077 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.292 9.250 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.926 8.756 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.723 8.309 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.117 8.760 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.187 7.660 3.482 1.00 0.00 H new ATOM 1021 N GLN A 64 -3.610 12.734 4.517 1.00 0.00 N ATOM 1022 CA GLN A 64 -2.658 13.810 4.740 1.00 0.00 C ATOM 1023 C GLN A 64 -1.292 13.231 5.093 1.00 0.00 C ATOM 1024 O GLN A 64 -1.207 12.134 5.650 1.00 0.00 O ATOM 1025 CB GLN A 64 -3.162 14.717 5.868 1.00 0.00 C ATOM 1026 CG GLN A 64 -2.347 15.986 6.052 1.00 0.00 C ATOM 1027 CD GLN A 64 -2.897 16.881 7.144 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -2.509 16.775 8.309 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -3.812 17.765 6.780 1.00 0.00 N ATOM 0 H GLN A 64 -3.768 12.141 5.332 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.560 14.401 3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.198 14.989 5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.156 14.155 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.317 15.720 6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.325 16.538 5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.107 17.822 5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.222 18.390 7.474 1.00 0.00 H new ATOM 1038 N LYS A 65 -0.235 13.962 4.749 1.00 0.00 N ATOM 1039 CA LYS A 65 1.131 13.550 5.046 1.00 0.00 C ATOM 1040 C LYS A 65 1.300 13.287 6.542 1.00 0.00 C ATOM 1041 O LYS A 65 1.274 14.211 7.358 1.00 0.00 O ATOM 1042 CB LYS A 65 2.111 14.634 4.590 1.00 0.00 C ATOM 1043 CG LYS A 65 3.568 14.203 4.627 1.00 0.00 C ATOM 1044 CD LYS A 65 4.498 15.349 4.267 1.00 0.00 C ATOM 1045 CE LYS A 65 5.949 14.894 4.188 1.00 0.00 C ATOM 1046 NZ LYS A 65 6.482 14.448 5.506 1.00 0.00 N ATOM 0 H LYS A 65 -0.302 14.854 4.258 1.00 0.00 H new ATOM 0 HA LYS A 65 1.342 12.626 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.857 14.935 3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.986 15.512 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.814 13.833 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.722 13.377 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.197 15.774 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.405 16.140 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.031 14.077 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.562 15.712 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.286 15.050 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.735 14.523 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.798 13.459 5.436 1.00 0.00 H new ATOM 1060 N GLY A 66 1.460 12.022 6.892 1.00 0.00 N ATOM 1061 CA GLY A 66 1.576 11.638 8.281 1.00 0.00 C ATOM 1062 C GLY A 66 0.301 11.000 8.792 1.00 0.00 C ATOM 1063 O GLY A 66 -0.238 11.402 9.826 1.00 0.00 O ATOM 0 H GLY A 66 1.512 11.247 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.405 10.940 8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.811 12.516 8.883 1.00 0.00 H new ATOM 1067 N ALA A 67 -0.193 10.019 8.051 1.00 0.00 N ATOM 1068 CA ALA A 67 -1.405 9.308 8.426 1.00 0.00 C ATOM 1069 C ALA A 67 -1.065 7.998 9.133 1.00 0.00 C ATOM 1070 O ALA A 67 0.101 7.718 9.413 1.00 0.00 O ATOM 1071 CB ALA A 67 -2.266 9.046 7.197 1.00 0.00 C ATOM 0 H ALA A 67 0.231 9.696 7.181 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.970 9.931 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.170 8.513 7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.539 9.995 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.706 8.442 6.483 1.00 0.00 H new ATOM 1077 N SER A 68 -2.085 7.203 9.431 1.00 0.00 N ATOM 1078 CA SER A 68 -1.894 5.921 10.095 1.00 0.00 C ATOM 1079 C SER A 68 -2.998 4.948 9.683 1.00 0.00 C ATOM 1080 O SER A 68 -3.885 5.311 8.907 1.00 0.00 O ATOM 1081 CB SER A 68 -1.870 6.112 11.615 1.00 0.00 C ATOM 1082 OG SER A 68 -0.819 6.986 11.999 1.00 0.00 O ATOM 0 H SER A 68 -3.058 7.426 9.222 1.00 0.00 H new ATOM 0 HA SER A 68 -0.936 5.500 9.790 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.825 6.516 11.950 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.743 5.147 12.105 1.00 0.00 H new ATOM 0 HG SER A 68 -0.823 7.095 12.973 1.00 0.00 H new ATOM 1088 N ASP A 69 -2.936 3.725 10.210 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.861 2.652 9.843 1.00 0.00 C ATOM 1090 C ASP A 69 -5.321 3.067 9.977 1.00 0.00 C ATOM 1091 O ASP A 69 -6.142 2.730 9.122 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.607 1.419 10.709 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.398 0.628 10.260 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -1.266 0.988 10.648 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -2.577 -0.372 9.529 1.00 0.00 O ATOM 0 H ASP A 69 -2.242 3.450 10.905 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.676 2.422 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.468 1.730 11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.486 0.776 10.684 1.00 0.00 H new ATOM 1100 N GLU A 70 -5.643 3.791 11.046 1.00 0.00 N ATOM 1101 CA GLU A 70 -7.016 4.219 11.295 1.00 0.00 C ATOM 1102 C GLU A 70 -7.548 5.018 10.118 1.00 0.00 C ATOM 1103 O GLU A 70 -8.604 4.708 9.570 1.00 0.00 O ATOM 1104 CB GLU A 70 -7.083 5.075 12.559 1.00 0.00 C ATOM 1105 CG GLU A 70 -8.500 5.372 13.018 1.00 0.00 C ATOM 1106 CD GLU A 70 -8.538 6.301 14.212 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -8.432 5.813 15.355 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -8.665 7.527 14.014 1.00 0.00 O ATOM 0 H GLU A 70 -4.972 4.093 11.753 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.630 3.328 11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.549 4.566 13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.564 6.016 12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.059 5.819 12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.000 4.437 13.272 1.00 0.00 H new ATOM 1115 N GLU A 71 -6.783 6.025 9.729 1.00 0.00 N ATOM 1116 CA GLU A 71 -7.109 6.879 8.617 1.00 0.00 C ATOM 1117 C GLU A 71 -7.266 6.085 7.325 1.00 0.00 C ATOM 1118 O GLU A 71 -8.220 6.274 6.576 1.00 0.00 O ATOM 1119 CB GLU A 71 -5.995 7.896 8.471 1.00 0.00 C ATOM 1120 CG GLU A 71 -6.084 9.055 9.449 1.00 0.00 C ATOM 1121 CD GLU A 71 -7.361 9.858 9.290 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -7.425 10.700 8.373 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -8.295 9.664 10.091 1.00 0.00 O ATOM 0 H GLU A 71 -5.906 6.269 10.189 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.063 7.371 8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.038 7.393 8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.007 8.290 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.025 8.671 10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.226 9.712 9.306 1.00 0.00 H new ATOM 1130 N VAL A 72 -6.307 5.205 7.074 1.00 0.00 N ATOM 1131 CA VAL A 72 -6.334 4.342 5.896 1.00 0.00 C ATOM 1132 C VAL A 72 -7.626 3.528 5.828 1.00 0.00 C ATOM 1133 O VAL A 72 -8.301 3.531 4.803 1.00 0.00 O ATOM 1134 CB VAL A 72 -5.119 3.386 5.870 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -5.188 2.440 4.678 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -3.820 4.177 5.845 1.00 0.00 C ATOM 0 H VAL A 72 -5.494 5.068 7.674 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.286 4.996 5.025 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.146 2.785 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.320 1.780 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.098 1.844 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.195 3.019 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.975 3.489 5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.794 4.806 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.758 4.804 6.735 1.00 0.00 H new ATOM 1146 N LYS A 73 -7.980 2.847 6.917 1.00 0.00 N ATOM 1147 CA LYS A 73 -9.199 2.048 6.947 1.00 0.00 C ATOM 1148 C LYS A 73 -10.421 2.944 6.801 1.00 0.00 C ATOM 1149 O LYS A 73 -11.383 2.602 6.115 1.00 0.00 O ATOM 1150 CB LYS A 73 -9.291 1.265 8.253 1.00 0.00 C ATOM 1151 CG LYS A 73 -8.073 0.411 8.554 1.00 0.00 C ATOM 1152 CD LYS A 73 -8.322 -0.531 9.721 1.00 0.00 C ATOM 1153 CE LYS A 73 -8.860 0.198 10.943 1.00 0.00 C ATOM 1154 NZ LYS A 73 -9.085 -0.728 12.084 1.00 0.00 N ATOM 0 H LYS A 73 -7.442 2.834 7.784 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.169 1.346 6.114 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.441 1.966 9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.171 0.623 8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.807 -0.168 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.224 1.055 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.031 -1.302 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.393 -1.037 9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.158 0.977 11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.796 0.694 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.759 -0.300 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.470 -1.627 11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.183 -0.905 12.570 1.00 0.00 H new ATOM 1168 N LYS A 74 -10.350 4.093 7.450 1.00 0.00 N ATOM 1169 CA LYS A 74 -11.402 5.100 7.406 1.00 0.00 C ATOM 1170 C LYS A 74 -11.696 5.504 5.961 1.00 0.00 C ATOM 1171 O LYS A 74 -12.850 5.582 5.537 1.00 0.00 O ATOM 1172 CB LYS A 74 -10.924 6.308 8.211 1.00 0.00 C ATOM 1173 CG LYS A 74 -11.977 7.348 8.537 1.00 0.00 C ATOM 1174 CD LYS A 74 -11.367 8.437 9.405 1.00 0.00 C ATOM 1175 CE LYS A 74 -12.394 9.437 9.899 1.00 0.00 C ATOM 1176 NZ LYS A 74 -11.785 10.399 10.856 1.00 0.00 N ATOM 0 H LYS A 74 -9.553 4.358 8.029 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.324 4.702 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.494 5.949 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.121 6.794 7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.372 7.780 7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.815 6.882 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.872 7.979 10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.600 8.962 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.816 9.979 9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.217 8.910 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.509 11.072 11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.404 9.881 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.016 10.917 10.385 1.00 0.00 H new ATOM 1190 N LYS A 75 -10.631 5.746 5.213 1.00 0.00 N ATOM 1191 CA LYS A 75 -10.736 6.148 3.814 1.00 0.00 C ATOM 1192 C LYS A 75 -11.046 4.951 2.916 1.00 0.00 C ATOM 1193 O LYS A 75 -11.726 5.083 1.893 1.00 0.00 O ATOM 1194 CB LYS A 75 -9.428 6.816 3.377 1.00 0.00 C ATOM 1195 CG LYS A 75 -9.090 8.104 4.127 1.00 0.00 C ATOM 1196 CD LYS A 75 -10.190 9.153 4.010 1.00 0.00 C ATOM 1197 CE LYS A 75 -11.152 9.097 5.190 1.00 0.00 C ATOM 1198 NZ LYS A 75 -12.254 10.087 5.060 1.00 0.00 N ATOM 0 H LYS A 75 -9.673 5.671 5.554 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.558 6.857 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.611 6.107 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.486 7.036 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.922 7.875 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.158 8.514 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.742 10.145 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.742 8.999 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.573 8.094 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.604 9.284 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.973 9.904 5.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.874 11.047 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.687 10.003 4.118 1.00 0.00 H new ATOM 1212 N LEU A 76 -10.547 3.786 3.308 1.00 0.00 N ATOM 1213 CA LEU A 76 -10.767 2.555 2.558 1.00 0.00 C ATOM 1214 C LEU A 76 -12.242 2.167 2.591 1.00 0.00 C ATOM 1215 O LEU A 76 -12.797 1.705 1.595 1.00 0.00 O ATOM 1216 CB LEU A 76 -9.913 1.427 3.147 1.00 0.00 C ATOM 1217 CG LEU A 76 -9.886 0.127 2.341 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -9.229 0.354 0.990 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -9.154 -0.962 3.112 1.00 0.00 C ATOM 0 H LEU A 76 -9.982 3.667 4.149 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.475 2.720 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.890 1.788 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.279 1.204 4.149 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.913 -0.198 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.218 -0.581 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.791 1.104 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.206 0.701 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.144 -1.880 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.130 -0.644 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.663 -1.143 4.059 1.00 0.00 H new ATOM 1231 N GLU A 77 -12.867 2.372 3.745 1.00 0.00 N ATOM 1232 CA GLU A 77 -14.277 2.050 3.933 1.00 0.00 C ATOM 1233 C GLU A 77 -15.149 2.876 2.993 1.00 0.00 C ATOM 1234 O GLU A 77 -16.023 2.339 2.312 1.00 0.00 O ATOM 1235 CB GLU A 77 -14.687 2.308 5.385 1.00 0.00 C ATOM 1236 CG GLU A 77 -16.046 1.732 5.752 1.00 0.00 C ATOM 1237 CD GLU A 77 -16.368 1.889 7.225 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -15.789 1.145 8.046 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -17.197 2.752 7.573 1.00 0.00 O ATOM 0 H GLU A 77 -12.415 2.763 4.571 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.421 0.994 3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.932 1.883 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.698 3.383 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.817 2.226 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.071 0.674 5.489 1.00 0.00 H new ATOM 1246 N GLU A 78 -14.889 4.177 2.952 1.00 0.00 N ATOM 1247 CA GLU A 78 -15.654 5.090 2.108 1.00 0.00 C ATOM 1248 C GLU A 78 -15.561 4.685 0.640 1.00 0.00 C ATOM 1249 O GLU A 78 -16.566 4.645 -0.073 1.00 0.00 O ATOM 1250 CB GLU A 78 -15.139 6.523 2.261 1.00 0.00 C ATOM 1251 CG GLU A 78 -15.135 7.036 3.687 1.00 0.00 C ATOM 1252 CD GLU A 78 -14.632 8.461 3.784 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -13.601 8.780 3.153 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -15.257 9.268 4.501 1.00 0.00 O ATOM 0 H GLU A 78 -14.152 4.626 3.495 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.694 5.039 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.125 6.576 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.754 7.185 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.145 6.981 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.509 6.389 4.302 1.00 0.00 H new ATOM 1261 N SER A 79 -14.348 4.382 0.200 1.00 0.00 N ATOM 1262 CA SER A 79 -14.094 4.056 -1.193 1.00 0.00 C ATOM 1263 C SER A 79 -14.557 2.635 -1.540 1.00 0.00 C ATOM 1264 O SER A 79 -14.793 2.327 -2.711 1.00 0.00 O ATOM 1265 CB SER A 79 -12.603 4.199 -1.473 1.00 0.00 C ATOM 1266 OG SER A 79 -12.132 5.480 -1.085 1.00 0.00 O ATOM 0 H SER A 79 -13.519 4.356 0.794 1.00 0.00 H new ATOM 0 HA SER A 79 -14.664 4.746 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.053 3.427 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.413 4.044 -2.535 1.00 0.00 H new ATOM 0 HG SER A 79 -11.975 5.492 -0.118 1.00 0.00 H new ATOM 1272 N ASN A 80 -14.684 1.787 -0.520 1.00 0.00 N ATOM 1273 CA ASN A 80 -15.009 0.372 -0.706 1.00 0.00 C ATOM 1274 C ASN A 80 -13.988 -0.270 -1.640 1.00 0.00 C ATOM 1275 O ASN A 80 -14.317 -0.790 -2.710 1.00 0.00 O ATOM 1276 CB ASN A 80 -16.434 0.188 -1.245 1.00 0.00 C ATOM 1277 CG ASN A 80 -16.924 -1.247 -1.120 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -16.148 -2.202 -1.185 1.00 0.00 O ATOM 1279 ND2 ASN A 80 -18.220 -1.411 -0.925 1.00 0.00 N ATOM 0 H ASN A 80 -14.565 2.060 0.456 1.00 0.00 H new ATOM 0 HA ASN A 80 -14.966 -0.122 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.112 0.848 -0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.464 0.489 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.606 -2.350 -0.823 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.835 -0.599 -0.876 1.00 0.00 H new ATOM 1286 N LEU A 81 -12.732 -0.193 -1.236 1.00 0.00 N ATOM 1287 CA LEU A 81 -11.637 -0.771 -2.002 1.00 0.00 C ATOM 1288 C LEU A 81 -11.030 -1.911 -1.185 1.00 0.00 C ATOM 1289 O LEU A 81 -10.011 -2.497 -1.545 1.00 0.00 O ATOM 1290 CB LEU A 81 -10.604 0.333 -2.314 1.00 0.00 C ATOM 1291 CG LEU A 81 -9.720 0.137 -3.561 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -8.483 -0.685 -3.243 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -10.511 -0.511 -4.687 1.00 0.00 C ATOM 0 H LEU A 81 -12.442 0.268 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.985 -1.176 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.140 1.276 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.949 0.438 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.392 1.124 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.883 -0.803 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.894 -0.176 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.783 -1.666 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.867 -0.640 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.878 -1.484 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.355 0.126 -4.952 1.00 0.00 H new ATOM 1305 N THR A 82 -11.709 -2.230 -0.089 1.00 0.00 N ATOM 1306 CA THR A 82 -11.239 -3.201 0.887 1.00 0.00 C ATOM 1307 C THR A 82 -10.925 -4.557 0.252 1.00 0.00 C ATOM 1308 O THR A 82 -9.868 -5.133 0.504 1.00 0.00 O ATOM 1309 CB THR A 82 -12.295 -3.382 1.990 1.00 0.00 C ATOM 1310 OG1 THR A 82 -12.926 -2.119 2.252 1.00 0.00 O ATOM 1311 CG2 THR A 82 -11.663 -3.915 3.269 1.00 0.00 C ATOM 0 H THR A 82 -12.611 -1.816 0.148 1.00 0.00 H new ATOM 0 HA THR A 82 -10.313 -2.814 1.311 1.00 0.00 H new ATOM 0 HB THR A 82 -13.035 -4.106 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.601 -2.230 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.432 -4.034 4.033 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.197 -4.880 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.907 -3.213 3.621 1.00 0.00 H new ATOM 1319 N GLU A 83 -11.822 -5.046 -0.598 1.00 0.00 N ATOM 1320 CA GLU A 83 -11.662 -6.356 -1.208 1.00 0.00 C ATOM 1321 C GLU A 83 -10.484 -6.386 -2.174 1.00 0.00 C ATOM 1322 O GLU A 83 -9.774 -7.385 -2.270 1.00 0.00 O ATOM 1323 CB GLU A 83 -12.949 -6.747 -1.930 1.00 0.00 C ATOM 1324 CG GLU A 83 -14.040 -7.250 -1.000 1.00 0.00 C ATOM 1325 CD GLU A 83 -13.683 -8.576 -0.361 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -13.827 -9.621 -1.035 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -13.263 -8.584 0.813 1.00 0.00 O ATOM 0 H GLU A 83 -12.669 -4.551 -0.879 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.455 -7.076 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.323 -5.884 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.723 -7.521 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.220 -6.510 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.970 -7.357 -1.558 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.269 -5.286 -2.881 1.00 0.00 N ATOM 1335 CA TYR A 84 -9.174 -5.209 -3.838 1.00 0.00 C ATOM 1336 C TYR A 84 -7.841 -4.994 -3.119 1.00 0.00 C ATOM 1337 O TYR A 84 -6.785 -5.407 -3.601 1.00 0.00 O ATOM 1338 CB TYR A 84 -9.427 -4.089 -4.853 1.00 0.00 C ATOM 1339 CG TYR A 84 -8.383 -4.007 -5.948 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -8.225 -5.038 -6.865 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -7.551 -2.901 -6.056 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -7.270 -4.968 -7.862 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -6.593 -2.824 -7.048 1.00 0.00 C ATOM 1344 CZ TYR A 84 -6.457 -3.858 -7.949 1.00 0.00 C ATOM 1345 OH TYR A 84 -5.500 -3.783 -8.934 1.00 0.00 O ATOM 0 H TYR A 84 -10.834 -4.440 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.121 -6.156 -4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.406 -4.239 -5.308 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.463 -3.135 -4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.859 -5.910 -6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.654 -2.088 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.161 -5.778 -8.568 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.953 -1.957 -7.117 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.015 -2.935 -8.855 1.00 0.00 H new ATOM 1355 N MET A 85 -7.893 -4.357 -1.957 1.00 0.00 N ATOM 1356 CA MET A 85 -6.687 -4.102 -1.176 1.00 0.00 C ATOM 1357 C MET A 85 -6.280 -5.363 -0.415 1.00 0.00 C ATOM 1358 O MET A 85 -5.103 -5.714 -0.358 1.00 0.00 O ATOM 1359 CB MET A 85 -6.920 -2.938 -0.205 1.00 0.00 C ATOM 1360 CG MET A 85 -5.663 -2.136 0.112 1.00 0.00 C ATOM 1361 SD MET A 85 -4.432 -3.067 1.049 1.00 0.00 S ATOM 1362 CE MET A 85 -3.057 -1.919 1.023 1.00 0.00 C ATOM 0 H MET A 85 -8.753 -4.008 -1.534 1.00 0.00 H new ATOM 0 HA MET A 85 -5.878 -3.828 -1.853 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.669 -2.269 -0.629 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.333 -3.330 0.724 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.215 -1.794 -0.821 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.942 -1.247 0.677 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.220 -2.342 1.578 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.754 -1.738 -0.008 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.360 -0.978 1.483 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.271 -6.057 0.138 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.036 -7.286 0.899 1.00 0.00 C ATOM 1374 C LYS A 86 -6.680 -8.439 -0.041 1.00 0.00 C ATOM 1375 O LYS A 86 -6.336 -9.542 0.393 1.00 0.00 O ATOM 1376 CB LYS A 86 -8.284 -7.625 1.728 1.00 0.00 C ATOM 1377 CG LYS A 86 -8.070 -8.704 2.780 1.00 0.00 C ATOM 1378 CD LYS A 86 -9.290 -8.837 3.684 1.00 0.00 C ATOM 1379 CE LYS A 86 -9.074 -9.865 4.784 1.00 0.00 C ATOM 1380 NZ LYS A 86 -10.217 -9.906 5.740 1.00 0.00 N ATOM 0 H LYS A 86 -8.253 -5.788 0.074 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.195 -7.132 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.634 -6.718 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.077 -7.946 1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.869 -9.658 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.193 -8.462 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.517 -7.869 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.155 -9.122 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.938 -10.850 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.157 -9.631 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.030 -10.619 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.331 -8.973 6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.088 -10.155 5.229 1.00 0.00 H new ATOM 1394 N GLU A 87 -6.780 -8.169 -1.334 1.00 0.00 N ATOM 1395 CA GLU A 87 -6.399 -9.128 -2.354 1.00 0.00 C ATOM 1396 C GLU A 87 -4.900 -9.386 -2.316 1.00 0.00 C ATOM 1397 O GLU A 87 -4.089 -8.476 -2.529 1.00 0.00 O ATOM 1398 CB GLU A 87 -6.794 -8.613 -3.732 1.00 0.00 C ATOM 1399 CG GLU A 87 -6.281 -9.466 -4.881 1.00 0.00 C ATOM 1400 CD GLU A 87 -6.533 -8.827 -6.225 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -5.781 -7.893 -6.589 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -7.476 -9.258 -6.920 1.00 0.00 O ATOM 0 H GLU A 87 -7.126 -7.283 -1.702 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.922 -10.064 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.881 -8.559 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.417 -7.597 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.211 -9.635 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.764 -10.443 -4.849 1.00 0.00 H new ATOM 1409 N LYS A 88 -4.547 -10.626 -2.047 1.00 0.00 N ATOM 1410 CA LYS A 88 -3.154 -11.040 -2.003 1.00 0.00 C ATOM 1411 C LYS A 88 -2.571 -11.097 -3.407 1.00 0.00 C ATOM 1412 O LYS A 88 -3.253 -11.468 -4.364 1.00 0.00 O ATOM 1413 CB LYS A 88 -3.028 -12.412 -1.335 1.00 0.00 C ATOM 1414 CG LYS A 88 -3.781 -13.512 -2.068 1.00 0.00 C ATOM 1415 CD LYS A 88 -3.564 -14.865 -1.422 1.00 0.00 C ATOM 1416 CE LYS A 88 -4.289 -15.964 -2.182 1.00 0.00 C ATOM 1417 NZ LYS A 88 -4.058 -17.298 -1.575 1.00 0.00 N ATOM 0 H LYS A 88 -5.212 -11.375 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.597 -10.307 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.974 -12.682 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.401 -12.346 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.846 -13.280 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.453 -13.548 -3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.497 -15.087 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.918 -14.839 -0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.358 -15.751 -2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.951 -15.973 -3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.568 -18.021 -2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.040 -17.512 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.403 -17.297 -0.594 1.00 0.00 H new