USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 1 (180deg=1) USER MOD Single : A 21 SER OG : rot 180:sc= -0.181 USER MOD Single : A 23 THR OG1 : rot -76:sc= -3.78 USER MOD Single : A 27 ASN : amide:sc= -0.626 K(o=-0.63,f=-1.3) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-2) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 27:sc= 1.22 USER MOD Single : A 53 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.61) USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.688 (180deg=-0.802) USER MOD Single : A 62 ASN : amide:sc= -5.11! C(o=-5.1!,f=-3.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -129:sc= -0.736 USER MOD Single : A 71 HIS : no HD1:sc= -7.27! C(o=-7.3!,f=-5.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.4!) USER MOD Single : A 77 THR OG1 : rot 55:sc= -4.67! USER MOD Single : A 80 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.2!) USER MOD Single : A 81 THR OG1 : rot -90:sc=-0.00428 USER MOD Single : A 83 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.2!) USER MOD Single : A 86 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0.044) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00155) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.385 -2.384 -6.043 1.00 15.00 N ATOM 73 CA ILE A 6 -9.935 -2.347 -5.984 1.00 15.00 C ATOM 74 C ILE A 6 -9.394 -1.136 -6.743 1.00 15.00 C ATOM 75 O ILE A 6 -10.010 -0.669 -7.701 1.00 15.00 O ATOM 76 CB ILE A 6 -9.360 -3.647 -6.587 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.012 -4.640 -5.479 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.139 -3.371 -7.459 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.178 -4.966 -4.571 1.00 15.00 C ATOM 0 HA ILE A 6 -9.629 -2.263 -4.941 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.128 -4.084 -7.225 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.645 -5.562 -5.930 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.198 -4.232 -4.879 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.763 -4.310 -7.866 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.419 -2.707 -8.277 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.362 -2.898 -6.858 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.858 -5.676 -3.809 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.532 -4.053 -4.091 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.985 -5.403 -5.158 1.00 15.00 H new ATOM 91 N PHE A 7 -8.234 -0.643 -6.324 1.00 15.00 N ATOM 92 CA PHE A 7 -7.615 0.499 -6.984 1.00 15.00 C ATOM 93 C PHE A 7 -6.096 0.363 -6.984 1.00 15.00 C ATOM 94 O PHE A 7 -5.538 -0.458 -6.260 1.00 15.00 O ATOM 95 CB PHE A 7 -8.046 1.814 -6.320 1.00 15.00 C ATOM 96 CG PHE A 7 -7.288 2.162 -5.067 1.00 15.00 C ATOM 97 CD1 PHE A 7 -5.980 2.618 -5.132 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.890 2.046 -3.825 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.289 2.951 -3.984 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.203 2.375 -2.673 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.901 2.829 -2.754 1.00 15.00 C ATOM 0 H PHE A 7 -7.706 -1.014 -5.534 1.00 15.00 H new ATOM 0 HA PHE A 7 -7.955 0.518 -8.020 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -7.926 2.625 -7.038 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.108 1.754 -6.082 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.496 2.714 -6.093 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.909 1.694 -3.757 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.271 3.306 -4.049 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.683 2.277 -1.710 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.362 3.088 -1.855 1.00 15.00 H new ATOM 111 N GLU A 8 -5.434 1.167 -7.809 1.00 15.00 N ATOM 112 CA GLU A 8 -3.980 1.128 -7.912 1.00 15.00 C ATOM 113 C GLU A 8 -3.376 2.522 -7.794 1.00 15.00 C ATOM 114 O GLU A 8 -3.934 3.503 -8.286 1.00 15.00 O ATOM 115 CB GLU A 8 -3.570 0.507 -9.243 1.00 15.00 C ATOM 116 CG GLU A 8 -4.250 1.146 -10.437 1.00 15.00 C ATOM 117 CD GLU A 8 -4.223 0.263 -11.669 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.287 -0.975 -11.514 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.139 0.809 -12.789 1.00 15.00 O ATOM 0 H GLU A 8 -5.881 1.854 -8.416 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.603 0.521 -7.089 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.490 0.594 -9.359 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -3.804 -0.557 -9.227 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.285 1.374 -10.181 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.761 2.094 -10.664 1.00 15.00 H new ATOM 126 N VAL A 9 -2.218 2.588 -7.154 1.00 15.00 N ATOM 127 CA VAL A 9 -1.495 3.841 -6.974 1.00 15.00 C ATOM 128 C VAL A 9 -0.357 3.921 -7.982 1.00 15.00 C ATOM 129 O VAL A 9 0.565 3.106 -7.955 1.00 15.00 O ATOM 130 CB VAL A 9 -0.950 3.996 -5.526 1.00 15.00 C ATOM 131 CG1 VAL A 9 -0.981 2.667 -4.783 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.460 4.577 -5.518 1.00 15.00 C ATOM 0 H VAL A 9 -1.753 1.777 -6.745 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.193 4.661 -7.143 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.605 4.696 -5.008 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.594 2.805 -3.773 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.007 2.303 -4.732 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.364 1.940 -5.311 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.809 4.671 -4.490 1.00 15.00 H new ATOM 0 HG22 VAL A 9 1.129 3.916 -6.069 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.451 5.560 -5.990 1.00 15.00 H new ATOM 142 N GLU A 10 -0.441 4.884 -8.887 1.00 15.00 N ATOM 143 CA GLU A 10 0.570 5.041 -9.919 1.00 15.00 C ATOM 144 C GLU A 10 1.485 6.235 -9.664 1.00 15.00 C ATOM 145 O GLU A 10 1.421 7.240 -10.372 1.00 15.00 O ATOM 146 CB GLU A 10 -0.105 5.177 -11.278 1.00 15.00 C ATOM 147 CG GLU A 10 0.869 5.312 -12.437 1.00 15.00 C ATOM 148 CD GLU A 10 0.311 6.143 -13.575 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.693 5.717 -14.185 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.877 7.220 -13.858 1.00 15.00 O ATOM 0 H GLU A 10 -1.198 5.567 -8.927 1.00 15.00 H new ATOM 0 HA GLU A 10 1.198 4.151 -9.902 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.738 4.306 -11.447 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.759 6.049 -11.262 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.793 5.767 -12.079 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.125 4.320 -12.809 1.00 15.00 H new ATOM 157 N LEU A 11 2.355 6.107 -8.671 1.00 15.00 N ATOM 158 CA LEU A 11 3.304 7.167 -8.353 1.00 15.00 C ATOM 159 C LEU A 11 4.569 6.982 -9.184 1.00 15.00 C ATOM 160 O LEU A 11 4.770 5.926 -9.780 1.00 15.00 O ATOM 161 CB LEU A 11 3.647 7.160 -6.860 1.00 15.00 C ATOM 162 CG LEU A 11 3.793 8.542 -6.215 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.480 9.310 -6.273 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.267 8.409 -4.775 1.00 15.00 C ATOM 0 H LEU A 11 2.424 5.283 -8.073 1.00 15.00 H new ATOM 0 HA LEU A 11 2.850 8.129 -8.591 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.871 6.609 -6.328 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.579 6.612 -6.721 1.00 15.00 H new ATOM 0 HG LEU A 11 4.540 9.102 -6.778 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.610 10.288 -5.809 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.180 9.439 -7.313 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.709 8.754 -5.739 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.366 9.400 -4.331 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.542 7.827 -4.206 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.233 7.905 -4.755 1.00 15.00 H new ATOM 176 N ALA A 12 5.418 8.000 -9.231 1.00 15.00 N ATOM 177 CA ALA A 12 6.653 7.913 -10.005 1.00 15.00 C ATOM 178 C ALA A 12 7.829 7.513 -9.123 1.00 15.00 C ATOM 179 O ALA A 12 8.491 8.363 -8.529 1.00 15.00 O ATOM 180 CB ALA A 12 6.941 9.231 -10.704 1.00 15.00 C ATOM 0 H ALA A 12 5.278 8.888 -8.748 1.00 15.00 H new ATOM 0 HA ALA A 12 6.518 7.139 -10.761 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.865 9.145 -11.275 1.00 15.00 H new ATOM 0 HB2 ALA A 12 6.119 9.473 -11.378 1.00 15.00 H new ATOM 0 HB3 ALA A 12 7.046 10.022 -9.961 1.00 15.00 H new ATOM 186 N LYS A 13 8.082 6.211 -9.048 1.00 15.00 N ATOM 187 CA LYS A 13 9.179 5.685 -8.243 1.00 15.00 C ATOM 188 C LYS A 13 10.503 6.349 -8.620 1.00 15.00 C ATOM 189 O LYS A 13 11.409 6.466 -7.797 1.00 15.00 O ATOM 190 CB LYS A 13 9.277 4.169 -8.422 1.00 15.00 C ATOM 191 CG LYS A 13 9.771 3.440 -7.186 1.00 15.00 C ATOM 192 CD LYS A 13 11.164 3.897 -6.794 1.00 15.00 C ATOM 193 CE LYS A 13 11.120 4.870 -5.627 1.00 15.00 C ATOM 194 NZ LYS A 13 12.373 5.667 -5.520 1.00 15.00 N ATOM 0 H LYS A 13 7.540 5.498 -9.537 1.00 15.00 H new ATOM 0 HA LYS A 13 8.975 5.909 -7.196 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.296 3.780 -8.695 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.948 3.953 -9.253 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.083 3.615 -6.359 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.778 2.366 -7.373 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.770 3.032 -6.526 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.647 4.372 -7.648 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.271 5.543 -5.747 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.961 4.318 -4.700 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.302 6.318 -4.712 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 13.181 5.027 -5.379 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.512 6.214 -6.394 1.00 15.00 H new ATOM 259 N LEU A 18 8.375 7.297 -1.677 1.00 15.00 N ATOM 260 CA LEU A 18 7.132 7.387 -0.921 1.00 15.00 C ATOM 261 C LEU A 18 7.380 7.995 0.457 1.00 15.00 C ATOM 262 O LEU A 18 8.476 8.475 0.748 1.00 15.00 O ATOM 263 CB LEU A 18 6.482 6.005 -0.779 1.00 15.00 C ATOM 264 CG LEU A 18 6.169 5.298 -2.099 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.363 6.207 -3.014 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.454 4.854 -2.782 1.00 15.00 C ATOM 0 HA LEU A 18 6.451 8.037 -1.470 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.143 5.368 -0.191 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.556 6.112 -0.213 1.00 15.00 H new ATOM 0 HG LEU A 18 5.571 4.413 -1.883 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.150 5.687 -3.948 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.426 6.476 -2.526 1.00 15.00 H new ATOM 0 HD13 LEU A 18 5.935 7.111 -3.224 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.213 4.353 -3.720 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.077 5.725 -2.986 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.993 4.166 -2.131 1.00 15.00 H new ATOM 278 N GLY A 19 6.353 7.973 1.297 1.00 15.00 N ATOM 279 CA GLY A 19 6.467 8.526 2.632 1.00 15.00 C ATOM 280 C GLY A 19 5.353 8.055 3.532 1.00 15.00 C ATOM 281 O GLY A 19 4.754 8.846 4.255 1.00 15.00 O ATOM 0 H GLY A 19 5.438 7.580 1.075 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.427 8.241 3.063 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.453 9.615 2.577 1.00 15.00 H new ATOM 285 N ILE A 20 5.062 6.767 3.468 1.00 15.00 N ATOM 286 CA ILE A 20 4.002 6.182 4.270 1.00 15.00 C ATOM 287 C ILE A 20 4.548 5.220 5.318 1.00 15.00 C ATOM 288 O ILE A 20 5.387 4.369 5.022 1.00 15.00 O ATOM 289 CB ILE A 20 2.980 5.452 3.372 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.581 5.990 3.642 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.022 3.951 3.600 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.474 5.010 3.341 1.00 15.00 C ATOM 0 H ILE A 20 5.548 6.103 2.865 1.00 15.00 H new ATOM 0 HA ILE A 20 3.505 7.000 4.791 1.00 15.00 H new ATOM 0 HB ILE A 20 3.242 5.638 2.330 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.514 6.287 4.689 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.428 6.889 3.045 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.292 3.464 2.954 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.019 3.576 3.368 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.786 3.734 4.642 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.489 5.471 3.560 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.512 4.731 2.288 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.599 4.120 3.957 1.00 15.00 H new ATOM 304 N SER A 21 4.028 5.330 6.531 1.00 15.00 N ATOM 305 CA SER A 21 4.418 4.438 7.607 1.00 15.00 C ATOM 306 C SER A 21 3.482 3.237 7.574 1.00 15.00 C ATOM 307 O SER A 21 2.311 3.345 7.934 1.00 15.00 O ATOM 308 CB SER A 21 4.349 5.156 8.958 1.00 15.00 C ATOM 309 OG SER A 21 4.567 4.253 10.029 1.00 15.00 O ATOM 0 H SER A 21 3.334 6.030 6.793 1.00 15.00 H new ATOM 0 HA SER A 21 5.449 4.110 7.475 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.096 5.949 8.990 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.374 5.631 9.071 1.00 15.00 H new ATOM 0 HG SER A 21 4.519 4.737 10.880 1.00 15.00 H new ATOM 315 N VAL A 22 3.985 2.111 7.080 1.00 15.00 N ATOM 316 CA VAL A 22 3.163 0.916 6.935 1.00 15.00 C ATOM 317 C VAL A 22 3.255 -0.016 8.133 1.00 15.00 C ATOM 318 O VAL A 22 4.263 -0.057 8.839 1.00 15.00 O ATOM 319 CB VAL A 22 3.545 0.141 5.659 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.495 1.056 4.447 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.929 -0.478 5.792 1.00 15.00 C ATOM 0 H VAL A 22 4.952 2.001 6.775 1.00 15.00 H new ATOM 0 HA VAL A 22 2.133 1.266 6.865 1.00 15.00 H new ATOM 0 HB VAL A 22 2.821 -0.663 5.523 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.768 0.493 3.554 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.486 1.453 4.332 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.195 1.880 4.584 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.175 -1.019 4.878 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.665 0.309 5.957 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.940 -1.167 6.636 1.00 15.00 H new ATOM 331 N THR A 23 2.176 -0.760 8.349 1.00 15.00 N ATOM 332 CA THR A 23 2.092 -1.699 9.454 1.00 15.00 C ATOM 333 C THR A 23 1.196 -2.884 9.089 1.00 15.00 C ATOM 334 O THR A 23 0.691 -2.971 7.967 1.00 15.00 O ATOM 335 CB THR A 23 1.561 -0.981 10.695 1.00 15.00 C ATOM 336 OG1 THR A 23 1.645 0.420 10.529 1.00 15.00 O ATOM 337 CG2 THR A 23 2.310 -1.335 11.958 1.00 15.00 C ATOM 0 H THR A 23 1.341 -0.727 7.765 1.00 15.00 H new ATOM 0 HA THR A 23 3.088 -2.088 9.668 1.00 15.00 H new ATOM 0 HB THR A 23 0.527 -1.310 10.801 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.575 0.708 10.645 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.882 -0.791 12.800 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.230 -2.407 12.140 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.360 -1.063 11.847 1.00 15.00 H new ATOM 345 N GLY A 24 1.001 -3.794 10.040 1.00 15.00 N ATOM 346 CA GLY A 24 0.166 -4.957 9.793 1.00 15.00 C ATOM 347 C GLY A 24 0.840 -5.970 8.888 1.00 15.00 C ATOM 348 O GLY A 24 1.915 -6.475 9.207 1.00 15.00 O ATOM 0 H GLY A 24 1.405 -3.747 10.975 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.083 -5.431 10.743 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.773 -4.638 9.341 1.00 15.00 H new ATOM 352 N GLY A 25 0.211 -6.257 7.752 1.00 15.00 N ATOM 353 CA GLY A 25 0.775 -7.203 6.804 1.00 15.00 C ATOM 354 C GLY A 25 0.818 -8.628 7.322 1.00 15.00 C ATOM 355 O GLY A 25 0.148 -9.507 6.781 1.00 15.00 O ATOM 0 H GLY A 25 -0.681 -5.851 7.470 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.189 -7.177 5.885 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.786 -6.888 6.547 1.00 15.00 H new ATOM 359 N VAL A 26 1.624 -8.854 8.361 1.00 15.00 N ATOM 360 CA VAL A 26 1.788 -10.182 8.968 1.00 15.00 C ATOM 361 C VAL A 26 0.569 -11.078 8.759 1.00 15.00 C ATOM 362 O VAL A 26 -0.569 -10.657 8.962 1.00 15.00 O ATOM 363 CB VAL A 26 2.076 -10.076 10.480 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.570 -10.164 10.748 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.503 -8.786 11.044 1.00 15.00 C ATOM 0 H VAL A 26 2.182 -8.125 8.807 1.00 15.00 H new ATOM 0 HA VAL A 26 2.640 -10.636 8.462 1.00 15.00 H new ATOM 0 HB VAL A 26 1.590 -10.913 10.982 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.753 -10.087 11.820 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.950 -11.118 10.383 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.080 -9.350 10.234 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.716 -8.729 12.111 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.957 -7.934 10.538 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.424 -8.768 10.888 1.00 15.00 H new ATOM 375 N ASN A 27 0.825 -12.316 8.347 1.00 15.00 N ATOM 376 CA ASN A 27 -0.239 -13.281 8.102 1.00 15.00 C ATOM 377 C ASN A 27 -0.800 -13.822 9.414 1.00 15.00 C ATOM 378 O ASN A 27 -0.703 -15.017 9.698 1.00 15.00 O ATOM 379 CB ASN A 27 0.285 -14.435 7.244 1.00 15.00 C ATOM 380 CG ASN A 27 1.563 -15.034 7.799 1.00 15.00 C ATOM 381 OD1 ASN A 27 2.661 -14.560 7.509 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.425 -16.082 8.602 1.00 15.00 N ATOM 0 H ASN A 27 1.764 -12.675 8.176 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.043 -12.772 7.569 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.478 -15.211 7.178 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.465 -14.078 6.230 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.249 -16.527 9.006 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.495 -16.442 8.815 1.00 15.00 H new ATOM 389 N THR A 28 -1.388 -12.937 10.212 1.00 15.00 N ATOM 390 CA THR A 28 -1.964 -13.330 11.493 1.00 15.00 C ATOM 391 C THR A 28 -3.119 -12.411 11.878 1.00 15.00 C ATOM 392 O THR A 28 -4.188 -12.874 12.276 1.00 15.00 O ATOM 393 CB THR A 28 -0.893 -13.307 12.585 1.00 15.00 C ATOM 394 OG1 THR A 28 0.362 -13.707 12.065 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.214 -14.212 13.756 1.00 15.00 C ATOM 0 H THR A 28 -1.478 -11.944 9.995 1.00 15.00 H new ATOM 0 HA THR A 28 -2.350 -14.344 11.392 1.00 15.00 H new ATOM 0 HB THR A 28 -0.863 -12.277 12.939 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.034 -13.684 12.778 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.415 -14.149 14.494 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.154 -13.899 14.211 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.305 -15.241 13.407 1.00 15.00 H new ATOM 403 N SER A 29 -2.896 -11.106 11.758 1.00 15.00 N ATOM 404 CA SER A 29 -3.918 -10.122 12.095 1.00 15.00 C ATOM 405 C SER A 29 -4.778 -9.789 10.880 1.00 15.00 C ATOM 406 O SER A 29 -5.997 -9.662 10.986 1.00 15.00 O ATOM 407 CB SER A 29 -3.268 -8.848 12.639 1.00 15.00 C ATOM 408 OG SER A 29 -4.237 -7.981 13.203 1.00 15.00 O ATOM 0 H SER A 29 -2.017 -10.706 11.430 1.00 15.00 H new ATOM 0 HA SER A 29 -4.560 -10.552 12.863 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.526 -9.109 13.393 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.740 -8.334 11.836 1.00 15.00 H new ATOM 0 HG SER A 29 -3.796 -7.175 13.545 1.00 15.00 H new ATOM 414 N VAL A 30 -4.133 -9.646 9.727 1.00 15.00 N ATOM 415 CA VAL A 30 -4.839 -9.325 8.492 1.00 15.00 C ATOM 416 C VAL A 30 -5.646 -10.520 7.992 1.00 15.00 C ATOM 417 O VAL A 30 -5.701 -11.561 8.646 1.00 15.00 O ATOM 418 CB VAL A 30 -3.862 -8.877 7.389 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.107 -7.630 7.820 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.896 -9.999 7.039 1.00 15.00 C ATOM 0 H VAL A 30 -3.123 -9.747 9.622 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.519 -8.504 8.719 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.439 -8.636 6.496 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.421 -7.328 7.028 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.815 -6.824 8.013 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.542 -7.842 8.728 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.214 -9.662 6.258 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.324 -10.276 7.925 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.456 -10.864 6.683 1.00 15.00 H new ATOM 430 N ARG A 31 -6.270 -10.362 6.829 1.00 15.00 N ATOM 431 CA ARG A 31 -7.074 -11.427 6.241 1.00 15.00 C ATOM 432 C ARG A 31 -6.247 -12.695 6.052 1.00 15.00 C ATOM 433 O ARG A 31 -6.650 -13.779 6.474 1.00 15.00 O ATOM 434 CB ARG A 31 -7.654 -10.973 4.899 1.00 15.00 C ATOM 435 CG ARG A 31 -9.153 -10.725 4.938 1.00 15.00 C ATOM 436 CD ARG A 31 -9.935 -12.026 4.868 1.00 15.00 C ATOM 437 NE ARG A 31 -9.714 -12.862 6.046 1.00 15.00 N ATOM 438 CZ ARG A 31 -10.313 -12.664 7.217 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.172 -11.664 7.370 1.00 15.00 N ATOM 440 NH2 ARG A 31 -10.055 -13.470 8.239 1.00 15.00 N ATOM 0 H ARG A 31 -6.234 -9.506 6.275 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.892 -11.651 6.925 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.151 -10.058 4.586 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.439 -11.730 4.145 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.411 -10.193 5.854 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.438 -10.083 4.105 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.998 -11.805 4.775 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.644 -12.576 3.973 1.00 15.00 H new ATOM 0 HE ARG A 31 -9.063 -13.643 5.966 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.376 -11.043 6.587 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.628 -11.517 8.270 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -9.397 -14.241 8.127 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -10.514 -13.318 9.137 1.00 15.00 H new ATOM 454 N HIS A 32 -5.089 -12.553 5.414 1.00 15.00 N ATOM 455 CA HIS A 32 -4.209 -13.690 5.170 1.00 15.00 C ATOM 456 C HIS A 32 -2.750 -13.248 5.102 1.00 15.00 C ATOM 457 O HIS A 32 -1.892 -13.804 5.785 1.00 15.00 O ATOM 458 CB HIS A 32 -4.600 -14.394 3.870 1.00 15.00 C ATOM 459 CG HIS A 32 -6.064 -14.693 3.768 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.908 -14.033 2.900 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.834 -15.589 4.430 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.134 -14.508 3.034 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.115 -15.453 3.955 1.00 15.00 N ATOM 0 H HIS A 32 -4.739 -11.664 5.058 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.320 -14.386 6.001 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.305 -13.771 3.026 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.041 -15.326 3.789 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -6.502 -16.281 5.190 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.003 -14.179 2.484 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -8.922 -15.995 4.264 1.00 15.00 H new ATOM 472 N GLY A 33 -2.477 -12.249 4.269 1.00 15.00 N ATOM 473 CA GLY A 33 -1.120 -11.753 4.122 1.00 15.00 C ATOM 474 C GLY A 33 -1.060 -10.444 3.358 1.00 15.00 C ATOM 475 O GLY A 33 -0.050 -10.131 2.729 1.00 15.00 O ATOM 0 H GLY A 33 -3.171 -11.774 3.693 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.678 -11.615 5.109 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.518 -12.500 3.605 1.00 15.00 H new ATOM 479 N GLY A 34 -2.138 -9.670 3.426 1.00 15.00 N ATOM 480 CA GLY A 34 -2.173 -8.390 2.746 1.00 15.00 C ATOM 481 C GLY A 34 -1.690 -7.281 3.652 1.00 15.00 C ATOM 482 O GLY A 34 -1.856 -7.362 4.869 1.00 15.00 O ATOM 0 H GLY A 34 -2.987 -9.907 3.940 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.550 -8.432 1.853 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.190 -8.178 2.416 1.00 15.00 H new ATOM 486 N ILE A 35 -1.080 -6.250 3.082 1.00 15.00 N ATOM 487 CA ILE A 35 -0.576 -5.154 3.897 1.00 15.00 C ATOM 488 C ILE A 35 -1.636 -4.087 4.123 1.00 15.00 C ATOM 489 O ILE A 35 -2.558 -3.921 3.326 1.00 15.00 O ATOM 490 CB ILE A 35 0.694 -4.512 3.289 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.834 -4.530 4.322 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.417 -3.094 2.792 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.568 -3.212 4.477 1.00 15.00 C ATOM 0 H ILE A 35 -0.924 -6.150 2.079 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.310 -5.589 4.860 1.00 15.00 H new ATOM 0 HB ILE A 35 1.000 -5.099 2.423 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.425 -4.819 5.290 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.552 -5.299 4.038 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.329 -2.671 2.371 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.358 -3.122 2.026 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.081 -2.476 3.625 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.354 -3.319 5.225 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.012 -2.928 3.523 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.867 -2.440 4.795 1.00 15.00 H new ATOM 505 N TYR A 36 -1.475 -3.362 5.217 1.00 15.00 N ATOM 506 CA TYR A 36 -2.390 -2.289 5.575 1.00 15.00 C ATOM 507 C TYR A 36 -1.611 -1.125 6.161 1.00 15.00 C ATOM 508 O TYR A 36 -1.117 -1.201 7.286 1.00 15.00 O ATOM 509 CB TYR A 36 -3.428 -2.780 6.582 1.00 15.00 C ATOM 510 CG TYR A 36 -4.353 -3.837 6.028 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.921 -5.146 5.864 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.656 -3.524 5.668 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.762 -6.115 5.357 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.505 -4.487 5.160 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.054 -5.782 5.006 1.00 15.00 C ATOM 516 OH TYR A 36 -6.896 -6.745 4.501 1.00 15.00 O ATOM 0 H TYR A 36 -0.711 -3.498 5.879 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.910 -1.960 4.676 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.914 -3.181 7.456 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.022 -1.932 6.923 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.910 -5.410 6.138 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.012 -2.511 5.787 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.411 -7.129 5.235 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.517 -4.228 4.885 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.769 -6.346 4.306 1.00 15.00 H new ATOM 526 N VAL A 37 -1.488 -0.054 5.392 1.00 15.00 N ATOM 527 CA VAL A 37 -0.744 1.114 5.851 1.00 15.00 C ATOM 528 C VAL A 37 -1.294 1.637 7.172 1.00 15.00 C ATOM 529 O VAL A 37 -2.492 1.562 7.433 1.00 15.00 O ATOM 530 CB VAL A 37 -0.727 2.265 4.805 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.852 1.740 3.390 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.806 3.303 5.060 1.00 15.00 C ATOM 0 H VAL A 37 -1.888 0.033 4.458 1.00 15.00 H new ATOM 0 HA VAL A 37 0.283 0.777 5.994 1.00 15.00 H new ATOM 0 HB VAL A 37 0.242 2.751 4.918 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.836 2.575 2.689 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.019 1.070 3.175 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.791 1.196 3.285 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.748 4.083 4.300 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.786 2.827 5.017 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.660 3.745 6.046 1.00 15.00 H new ATOM 542 N LYS A 38 -0.416 2.195 7.991 1.00 15.00 N ATOM 543 CA LYS A 38 -0.833 2.762 9.261 1.00 15.00 C ATOM 544 C LYS A 38 -1.411 4.146 9.005 1.00 15.00 C ATOM 545 O LYS A 38 -2.484 4.486 9.501 1.00 15.00 O ATOM 546 CB LYS A 38 0.344 2.808 10.246 1.00 15.00 C ATOM 547 CG LYS A 38 0.526 4.129 10.985 1.00 15.00 C ATOM 548 CD LYS A 38 1.121 3.912 12.369 1.00 15.00 C ATOM 549 CE LYS A 38 2.280 2.928 12.331 1.00 15.00 C ATOM 550 NZ LYS A 38 2.997 2.858 13.634 1.00 15.00 N ATOM 0 H LYS A 38 0.583 2.267 7.800 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.600 2.137 9.718 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.211 2.015 10.982 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.261 2.587 9.700 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.176 4.785 10.406 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.436 4.633 11.076 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.465 4.865 12.772 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.349 3.541 13.043 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.906 1.938 12.070 1.00 15.00 H new ATOM 0 HE3 LYS A 38 2.979 3.222 11.548 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 3.779 2.176 13.564 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 3.376 3.797 13.872 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.337 2.553 14.377 1.00 15.00 H new ATOM 564 N ALA A 39 -0.694 4.929 8.203 1.00 15.00 N ATOM 565 CA ALA A 39 -1.135 6.269 7.843 1.00 15.00 C ATOM 566 C ALA A 39 -0.230 6.858 6.771 1.00 15.00 C ATOM 567 O ALA A 39 0.802 6.277 6.444 1.00 15.00 O ATOM 568 CB ALA A 39 -1.181 7.163 9.069 1.00 15.00 C ATOM 0 H ALA A 39 0.198 4.655 7.790 1.00 15.00 H new ATOM 0 HA ALA A 39 -2.144 6.204 7.435 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.513 8.160 8.780 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.877 6.746 9.797 1.00 15.00 H new ATOM 0 HB3 ALA A 39 -0.187 7.225 9.511 1.00 15.00 H new ATOM 574 N VAL A 40 -0.607 8.017 6.240 1.00 15.00 N ATOM 575 CA VAL A 40 0.196 8.682 5.213 1.00 15.00 C ATOM 576 C VAL A 40 1.079 9.739 5.862 1.00 15.00 C ATOM 577 O VAL A 40 0.587 10.733 6.395 1.00 15.00 O ATOM 578 CB VAL A 40 -0.671 9.342 4.113 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.597 8.542 2.822 1.00 15.00 C ATOM 580 CG2 VAL A 40 -2.115 9.488 4.567 1.00 15.00 C ATOM 0 H VAL A 40 -1.458 8.515 6.500 1.00 15.00 H new ATOM 0 HA VAL A 40 0.804 7.916 4.733 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.274 10.340 3.927 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.213 9.022 2.061 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.437 8.500 2.479 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.962 7.530 2.999 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.700 9.954 3.774 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.527 8.504 4.791 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -2.154 10.110 5.461 1.00 15.00 H new ATOM 590 N ILE A 41 2.384 9.490 5.858 1.00 15.00 N ATOM 591 CA ILE A 41 3.332 10.393 6.495 1.00 15.00 C ATOM 592 C ILE A 41 3.643 11.632 5.656 1.00 15.00 C ATOM 593 O ILE A 41 4.198 11.533 4.560 1.00 15.00 O ATOM 594 CB ILE A 41 4.634 9.641 6.884 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.388 8.700 8.074 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.760 10.611 7.211 1.00 15.00 C ATOM 597 CD1 ILE A 41 2.970 8.174 8.174 1.00 15.00 C ATOM 0 H ILE A 41 2.808 8.671 5.421 1.00 15.00 H new ATOM 0 HA ILE A 41 2.850 10.755 7.403 1.00 15.00 H new ATOM 0 HB ILE A 41 4.936 9.046 6.022 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.072 7.854 8.000 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.632 9.228 8.996 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.656 10.051 7.479 1.00 15.00 H new ATOM 0 HG22 ILE A 41 5.968 11.234 6.341 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.464 11.244 8.048 1.00 15.00 H new ATOM 0 HD11 ILE A 41 2.885 7.519 9.041 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.279 9.010 8.282 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.725 7.615 7.271 1.00 15.00 H new ATOM 609 N PRO A 42 3.290 12.826 6.192 1.00 15.00 N ATOM 610 CA PRO A 42 3.521 14.114 5.523 1.00 15.00 C ATOM 611 C PRO A 42 5.004 14.438 5.360 1.00 15.00 C ATOM 612 O PRO A 42 5.486 15.452 5.865 1.00 15.00 O ATOM 613 CB PRO A 42 2.856 15.133 6.455 1.00 15.00 C ATOM 614 CG PRO A 42 2.825 14.471 7.785 1.00 15.00 C ATOM 615 CD PRO A 42 2.640 13.009 7.506 1.00 15.00 C ATOM 0 HA PRO A 42 3.118 14.113 4.510 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.422 16.064 6.490 1.00 15.00 H new ATOM 0 HB3 PRO A 42 1.851 15.383 6.115 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.749 14.651 8.334 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.011 14.859 8.397 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.106 12.391 8.274 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.585 12.736 7.474 1.00 15.00 H new ATOM 623 N GLN A 43 5.726 13.574 4.654 1.00 15.00 N ATOM 624 CA GLN A 43 7.148 13.779 4.433 1.00 15.00 C ATOM 625 C GLN A 43 7.583 13.232 3.074 1.00 15.00 C ATOM 626 O GLN A 43 8.311 13.895 2.336 1.00 15.00 O ATOM 627 CB GLN A 43 7.952 13.109 5.550 1.00 15.00 C ATOM 628 CG GLN A 43 9.451 13.106 5.307 1.00 15.00 C ATOM 629 CD GLN A 43 10.233 13.690 6.468 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.377 14.907 6.586 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.744 12.821 7.333 1.00 15.00 N ATOM 0 H GLN A 43 5.349 12.728 4.227 1.00 15.00 H new ATOM 0 HA GLN A 43 7.341 14.852 4.442 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.747 13.621 6.490 1.00 15.00 H new ATOM 0 HB3 GLN A 43 7.610 12.081 5.665 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.784 12.084 5.128 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.670 13.676 4.404 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.600 11.821 7.196 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.280 13.154 8.134 1.00 15.00 H new ATOM 640 N GLY A 44 7.147 12.016 2.754 1.00 15.00 N ATOM 641 CA GLY A 44 7.525 11.410 1.487 1.00 15.00 C ATOM 642 C GLY A 44 6.594 11.759 0.342 1.00 15.00 C ATOM 643 O GLY A 44 5.510 12.303 0.543 1.00 15.00 O ATOM 0 H GLY A 44 6.543 11.443 3.344 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.536 11.726 1.231 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.550 10.327 1.606 1.00 15.00 H new ATOM 647 N ALA A 45 7.037 11.435 -0.867 1.00 15.00 N ATOM 648 CA ALA A 45 6.277 11.707 -2.085 1.00 15.00 C ATOM 649 C ALA A 45 4.893 11.060 -2.078 1.00 15.00 C ATOM 650 O ALA A 45 4.044 11.402 -2.901 1.00 15.00 O ATOM 651 CB ALA A 45 7.064 11.237 -3.298 1.00 15.00 C ATOM 0 H ALA A 45 7.933 10.976 -1.033 1.00 15.00 H new ATOM 0 HA ALA A 45 6.122 12.785 -2.132 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.493 11.442 -4.204 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.016 11.766 -3.341 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.248 10.165 -3.220 1.00 15.00 H new ATOM 657 N ALA A 46 4.663 10.127 -1.162 1.00 15.00 N ATOM 658 CA ALA A 46 3.374 9.453 -1.087 1.00 15.00 C ATOM 659 C ALA A 46 2.304 10.386 -0.542 1.00 15.00 C ATOM 660 O ALA A 46 1.274 10.609 -1.187 1.00 15.00 O ATOM 661 CB ALA A 46 3.476 8.211 -0.219 1.00 15.00 C ATOM 0 H ALA A 46 5.345 9.823 -0.467 1.00 15.00 H new ATOM 0 HA ALA A 46 3.089 9.156 -2.096 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.505 7.719 -0.173 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.209 7.527 -0.647 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.787 8.494 0.786 1.00 15.00 H new ATOM 667 N GLU A 47 2.560 10.936 0.644 1.00 15.00 N ATOM 668 CA GLU A 47 1.629 11.863 1.276 1.00 15.00 C ATOM 669 C GLU A 47 1.361 13.053 0.355 1.00 15.00 C ATOM 670 O GLU A 47 0.222 13.499 0.211 1.00 15.00 O ATOM 671 CB GLU A 47 2.185 12.361 2.620 1.00 15.00 C ATOM 672 CG GLU A 47 3.386 13.273 2.449 1.00 15.00 C ATOM 673 CD GLU A 47 2.994 14.721 2.222 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.853 15.088 2.573 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.828 15.487 1.695 1.00 15.00 O ATOM 0 H GLU A 47 3.405 10.754 1.185 1.00 15.00 H new ATOM 0 HA GLU A 47 0.694 11.334 1.459 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.402 12.894 3.159 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.467 11.505 3.233 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.017 13.206 3.335 1.00 15.00 H new ATOM 0 HG3 GLU A 47 3.983 12.926 1.606 1.00 15.00 H new ATOM 682 N SER A 48 2.429 13.566 -0.260 1.00 15.00 N ATOM 683 CA SER A 48 2.328 14.709 -1.163 1.00 15.00 C ATOM 684 C SER A 48 1.296 14.442 -2.245 1.00 15.00 C ATOM 685 O SER A 48 0.218 15.036 -2.248 1.00 15.00 O ATOM 686 CB SER A 48 3.687 15.009 -1.798 1.00 15.00 C ATOM 687 OG SER A 48 4.480 15.818 -0.948 1.00 15.00 O ATOM 0 H SER A 48 3.376 13.205 -0.147 1.00 15.00 H new ATOM 0 HA SER A 48 2.012 15.576 -0.584 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.209 14.075 -2.006 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.542 15.513 -2.753 1.00 15.00 H new ATOM 0 HG SER A 48 4.215 15.671 -0.016 1.00 15.00 H new ATOM 693 N ASP A 49 1.619 13.527 -3.151 1.00 15.00 N ATOM 694 CA ASP A 49 0.698 13.171 -4.217 1.00 15.00 C ATOM 695 C ASP A 49 -0.604 12.679 -3.605 1.00 15.00 C ATOM 696 O ASP A 49 -1.695 13.019 -4.063 1.00 15.00 O ATOM 697 CB ASP A 49 1.304 12.088 -5.112 1.00 15.00 C ATOM 698 CG ASP A 49 1.043 12.341 -6.584 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.116 13.514 -7.007 1.00 15.00 O ATOM 700 OD2 ASP A 49 0.765 11.366 -7.314 1.00 15.00 O ATOM 0 H ASP A 49 2.505 13.023 -3.167 1.00 15.00 H new ATOM 0 HA ASP A 49 0.504 14.049 -4.833 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.379 12.038 -4.940 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.891 11.118 -4.834 1.00 15.00 H new ATOM 705 N GLY A 50 -0.470 11.880 -2.552 1.00 15.00 N ATOM 706 CA GLY A 50 -1.628 11.352 -1.865 1.00 15.00 C ATOM 707 C GLY A 50 -2.205 10.153 -2.582 1.00 15.00 C ATOM 708 O GLY A 50 -3.424 10.010 -2.684 1.00 15.00 O ATOM 0 H GLY A 50 0.427 11.589 -2.162 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.351 11.070 -0.849 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.389 12.129 -1.784 1.00 15.00 H new ATOM 712 N ARG A 51 -1.331 9.292 -3.092 1.00 15.00 N ATOM 713 CA ARG A 51 -1.779 8.106 -3.817 1.00 15.00 C ATOM 714 C ARG A 51 -2.200 7.012 -2.846 1.00 15.00 C ATOM 715 O ARG A 51 -3.287 6.446 -2.964 1.00 15.00 O ATOM 716 CB ARG A 51 -0.680 7.587 -4.749 1.00 15.00 C ATOM 717 CG ARG A 51 -0.638 8.295 -6.093 1.00 15.00 C ATOM 718 CD ARG A 51 -1.695 7.755 -7.044 1.00 15.00 C ATOM 719 NE ARG A 51 -2.715 8.756 -7.351 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.490 8.717 -8.433 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.369 7.729 -9.310 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.390 9.669 -8.637 1.00 15.00 N ATOM 0 H ARG A 51 -0.318 9.390 -3.019 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.640 8.389 -4.423 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.286 7.701 -4.257 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.829 6.520 -4.914 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.792 9.364 -5.947 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.349 8.173 -6.538 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.219 7.427 -7.968 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.168 6.879 -6.601 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.840 9.530 -6.698 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -2.679 6.993 -9.157 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -3.966 7.705 -10.137 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.488 10.430 -7.965 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.984 9.640 -9.466 1.00 15.00 H new ATOM 736 N ILE A 52 -1.337 6.725 -1.882 1.00 15.00 N ATOM 737 CA ILE A 52 -1.617 5.711 -0.886 1.00 15.00 C ATOM 738 C ILE A 52 -2.516 6.279 0.214 1.00 15.00 C ATOM 739 O ILE A 52 -2.632 7.496 0.358 1.00 15.00 O ATOM 740 CB ILE A 52 -0.305 5.177 -0.284 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.569 3.916 0.528 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.374 6.245 0.562 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.259 2.830 -0.261 1.00 15.00 C ATOM 0 H ILE A 52 -0.433 7.185 -1.772 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.140 4.885 -1.368 1.00 15.00 H new ATOM 0 HB ILE A 52 0.372 4.920 -1.099 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.378 3.533 0.909 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.181 4.171 1.393 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.299 5.846 0.978 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.599 7.112 -0.059 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.290 6.543 1.374 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.417 1.961 0.377 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.221 3.196 -0.620 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.638 2.548 -1.111 1.00 15.00 H new ATOM 755 N HIS A 53 -3.162 5.402 0.977 1.00 15.00 N ATOM 756 CA HIS A 53 -4.058 5.843 2.043 1.00 15.00 C ATOM 757 C HIS A 53 -4.042 4.901 3.229 1.00 15.00 C ATOM 758 O HIS A 53 -3.649 3.743 3.126 1.00 15.00 O ATOM 759 CB HIS A 53 -5.485 5.994 1.513 1.00 15.00 C ATOM 760 CG HIS A 53 -5.641 7.103 0.519 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.499 6.921 -0.840 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.930 8.415 0.693 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.693 8.073 -1.459 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.956 8.994 -0.551 1.00 15.00 N ATOM 0 H HIS A 53 -3.084 4.390 0.879 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.695 6.812 2.387 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.793 5.056 1.050 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.158 6.172 2.352 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.107 8.913 1.635 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.645 8.233 -2.526 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.148 9.977 -0.743 1.00 15.00 H new ATOM 773 N LYS A 54 -4.460 5.442 4.362 1.00 15.00 N ATOM 774 CA LYS A 54 -4.495 4.713 5.616 1.00 15.00 C ATOM 775 C LYS A 54 -5.038 3.291 5.456 1.00 15.00 C ATOM 776 O LYS A 54 -6.062 3.072 4.809 1.00 15.00 O ATOM 777 CB LYS A 54 -5.343 5.477 6.636 1.00 15.00 C ATOM 778 CG LYS A 54 -4.691 5.593 8.002 1.00 15.00 C ATOM 779 CD LYS A 54 -5.497 4.872 9.071 1.00 15.00 C ATOM 780 CE LYS A 54 -5.441 3.363 8.887 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.688 2.832 8.271 1.00 15.00 N ATOM 0 H LYS A 54 -4.786 6.406 4.436 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.467 4.629 5.968 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.544 6.477 6.252 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.306 4.977 6.743 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.685 5.176 7.962 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.590 6.645 8.269 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.113 5.134 10.057 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.534 5.206 9.034 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.588 3.105 8.259 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -5.282 2.885 9.854 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.739 1.804 8.422 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -7.513 3.288 8.710 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.684 3.032 7.250 1.00 15.00 H new ATOM 795 N GLY A 55 -4.342 2.331 6.066 1.00 15.00 N ATOM 796 CA GLY A 55 -4.757 0.938 6.004 1.00 15.00 C ATOM 797 C GLY A 55 -5.046 0.460 4.597 1.00 15.00 C ATOM 798 O GLY A 55 -5.927 -0.375 4.393 1.00 15.00 O ATOM 0 H GLY A 55 -3.492 2.496 6.605 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.976 0.314 6.439 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.649 0.805 6.616 1.00 15.00 H new ATOM 802 N ASP A 56 -4.305 0.974 3.621 1.00 15.00 N ATOM 803 CA ASP A 56 -4.509 0.562 2.238 1.00 15.00 C ATOM 804 C ASP A 56 -4.139 -0.904 2.055 1.00 15.00 C ATOM 805 O ASP A 56 -3.072 -1.341 2.492 1.00 15.00 O ATOM 806 CB ASP A 56 -3.697 1.433 1.277 1.00 15.00 C ATOM 807 CG ASP A 56 -4.573 2.122 0.252 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.352 1.422 -0.428 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.483 3.362 0.132 1.00 15.00 O ATOM 0 H ASP A 56 -3.569 1.666 3.759 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.566 0.690 2.006 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.147 2.183 1.845 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.959 0.816 0.765 1.00 15.00 H new ATOM 814 N ARG A 57 -5.024 -1.656 1.405 1.00 15.00 N ATOM 815 CA ARG A 57 -4.788 -3.073 1.154 1.00 15.00 C ATOM 816 C ARG A 57 -3.968 -3.258 -0.117 1.00 15.00 C ATOM 817 O ARG A 57 -4.518 -3.355 -1.214 1.00 15.00 O ATOM 818 CB ARG A 57 -6.118 -3.822 1.035 1.00 15.00 C ATOM 819 CG ARG A 57 -6.264 -4.953 2.037 1.00 15.00 C ATOM 820 CD ARG A 57 -5.926 -6.299 1.415 1.00 15.00 C ATOM 821 NE ARG A 57 -7.094 -6.931 0.807 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.175 -8.231 0.533 1.00 15.00 C ATOM 823 NH1 ARG A 57 -6.159 -9.039 0.810 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.274 -8.725 -0.020 1.00 15.00 N ATOM 0 H ARG A 57 -5.911 -1.306 1.043 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.228 -3.483 1.995 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.937 -3.117 1.172 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.210 -4.225 0.027 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.610 -4.771 2.890 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.285 -4.973 2.417 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -5.152 -6.165 0.659 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -5.514 -6.958 2.179 1.00 15.00 H new ATOM 0 HE ARG A 57 -7.895 -6.342 0.579 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -5.311 -8.664 1.235 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -6.227 -10.034 0.598 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -9.058 -8.109 -0.236 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.336 -9.721 -0.230 1.00 15.00 H new ATOM 838 N VAL A 58 -2.649 -3.294 0.034 1.00 15.00 N ATOM 839 CA VAL A 58 -1.758 -3.456 -1.107 1.00 15.00 C ATOM 840 C VAL A 58 -1.602 -4.930 -1.482 1.00 15.00 C ATOM 841 O VAL A 58 -1.053 -5.728 -0.716 1.00 15.00 O ATOM 842 CB VAL A 58 -0.374 -2.812 -0.840 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.533 -1.510 -0.066 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.553 -3.764 -0.096 1.00 15.00 C ATOM 0 H VAL A 58 -2.175 -3.213 0.933 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.213 -2.937 -1.950 1.00 15.00 H new ATOM 0 HB VAL A 58 0.082 -2.594 -1.806 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.448 -1.071 0.113 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.141 -0.815 -0.644 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.020 -1.711 0.888 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.514 -3.278 0.073 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.107 -4.031 0.862 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.702 -4.665 -0.690 1.00 15.00 H new ATOM 854 N LEU A 59 -2.117 -5.286 -2.658 1.00 15.00 N ATOM 855 CA LEU A 59 -2.059 -6.666 -3.138 1.00 15.00 C ATOM 856 C LEU A 59 -1.054 -6.851 -4.279 1.00 15.00 C ATOM 857 O LEU A 59 -0.686 -7.980 -4.603 1.00 15.00 O ATOM 858 CB LEU A 59 -3.444 -7.122 -3.598 1.00 15.00 C ATOM 859 CG LEU A 59 -4.462 -7.336 -2.477 1.00 15.00 C ATOM 860 CD1 LEU A 59 -3.941 -8.350 -1.471 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.783 -6.017 -1.792 1.00 15.00 C ATOM 0 H LEU A 59 -2.579 -4.638 -3.296 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.722 -7.278 -2.301 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.841 -6.381 -4.292 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.337 -8.054 -4.153 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.380 -7.728 -2.914 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.678 -8.490 -0.680 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -3.762 -9.301 -1.973 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.009 -7.987 -1.038 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.509 -6.187 -0.997 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.872 -5.596 -1.367 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.199 -5.321 -2.520 1.00 15.00 H new ATOM 873 N ALA A 60 -0.633 -5.755 -4.908 1.00 15.00 N ATOM 874 CA ALA A 60 0.300 -5.843 -6.030 1.00 15.00 C ATOM 875 C ALA A 60 1.239 -4.642 -6.105 1.00 15.00 C ATOM 876 O ALA A 60 0.884 -3.529 -5.721 1.00 15.00 O ATOM 877 CB ALA A 60 -0.475 -5.978 -7.333 1.00 15.00 C ATOM 0 H ALA A 60 -0.919 -4.807 -4.664 1.00 15.00 H new ATOM 0 HA ALA A 60 0.919 -6.726 -5.870 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.224 -6.043 -8.167 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.087 -6.880 -7.301 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.118 -5.108 -7.466 1.00 15.00 H new ATOM 883 N VAL A 61 2.436 -4.888 -6.630 1.00 15.00 N ATOM 884 CA VAL A 61 3.450 -3.852 -6.799 1.00 15.00 C ATOM 885 C VAL A 61 4.137 -4.037 -8.140 1.00 15.00 C ATOM 886 O VAL A 61 4.976 -4.924 -8.299 1.00 15.00 O ATOM 887 CB VAL A 61 4.514 -3.889 -5.687 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.284 -2.580 -5.645 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.879 -4.185 -4.340 1.00 15.00 C ATOM 0 H VAL A 61 2.730 -5.811 -6.950 1.00 15.00 H new ATOM 0 HA VAL A 61 2.944 -2.888 -6.748 1.00 15.00 H new ATOM 0 HB VAL A 61 5.215 -4.693 -5.911 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.032 -2.623 -4.853 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.778 -2.418 -6.603 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.595 -1.759 -5.449 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.651 -4.206 -3.571 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.151 -3.409 -4.103 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.379 -5.153 -4.378 1.00 15.00 H new ATOM 899 N ASN A 62 3.751 -3.225 -9.116 1.00 15.00 N ATOM 900 CA ASN A 62 4.310 -3.336 -10.456 1.00 15.00 C ATOM 901 C ASN A 62 3.912 -4.678 -11.069 1.00 15.00 C ATOM 902 O ASN A 62 4.489 -5.116 -12.065 1.00 15.00 O ATOM 903 CB ASN A 62 5.835 -3.195 -10.423 1.00 15.00 C ATOM 904 CG ASN A 62 6.282 -1.747 -10.463 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.014 -1.336 -11.363 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.843 -0.965 -9.483 1.00 15.00 N ATOM 0 H ASN A 62 3.057 -2.486 -9.005 1.00 15.00 H new ATOM 0 HA ASN A 62 3.911 -2.529 -11.070 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.221 -3.667 -9.520 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.265 -3.729 -11.270 1.00 15.00 H new ATOM 0 HD21 ASN A 62 6.111 0.019 -9.456 1.00 15.00 H new ATOM 0 HD22 ASN A 62 5.238 -1.348 -8.757 1.00 15.00 H new ATOM 913 N GLY A 63 2.914 -5.323 -10.459 1.00 15.00 N ATOM 914 CA GLY A 63 2.438 -6.604 -10.941 1.00 15.00 C ATOM 915 C GLY A 63 2.870 -7.767 -10.068 1.00 15.00 C ATOM 916 O GLY A 63 2.634 -8.925 -10.414 1.00 15.00 O ATOM 0 H GLY A 63 2.427 -4.973 -9.634 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.350 -6.583 -10.995 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.805 -6.763 -11.955 1.00 15.00 H new ATOM 920 N VAL A 64 3.491 -7.469 -8.929 1.00 15.00 N ATOM 921 CA VAL A 64 3.931 -8.515 -8.015 1.00 15.00 C ATOM 922 C VAL A 64 2.871 -8.781 -6.947 1.00 15.00 C ATOM 923 O VAL A 64 2.687 -7.990 -6.023 1.00 15.00 O ATOM 924 CB VAL A 64 5.281 -8.166 -7.344 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.114 -7.095 -6.278 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.919 -9.415 -6.756 1.00 15.00 C ATOM 0 H VAL A 64 3.699 -6.519 -8.620 1.00 15.00 H new ATOM 0 HA VAL A 64 4.076 -9.418 -8.608 1.00 15.00 H new ATOM 0 HB VAL A 64 5.942 -7.764 -8.112 1.00 15.00 H new ATOM 0 HG11 VAL A 64 6.082 -6.875 -5.828 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.711 -6.190 -6.732 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.429 -7.451 -5.509 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.868 -9.153 -6.288 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.253 -9.847 -6.009 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.094 -10.142 -7.549 1.00 15.00 H new ATOM 936 N SER A 65 2.168 -9.897 -7.087 1.00 15.00 N ATOM 937 CA SER A 65 1.122 -10.261 -6.139 1.00 15.00 C ATOM 938 C SER A 65 1.691 -10.393 -4.733 1.00 15.00 C ATOM 939 O SER A 65 2.532 -11.251 -4.468 1.00 15.00 O ATOM 940 CB SER A 65 0.454 -11.571 -6.559 1.00 15.00 C ATOM 941 OG SER A 65 -0.710 -11.326 -7.329 1.00 15.00 O ATOM 0 H SER A 65 2.302 -10.565 -7.846 1.00 15.00 H new ATOM 0 HA SER A 65 0.374 -9.468 -6.137 1.00 15.00 H new ATOM 0 HB2 SER A 65 1.156 -12.172 -7.137 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.193 -12.150 -5.673 1.00 15.00 H new ATOM 0 HG SER A 65 -1.117 -12.179 -7.586 1.00 15.00 H new ATOM 947 N LEU A 66 1.226 -9.531 -3.838 1.00 15.00 N ATOM 948 CA LEU A 66 1.686 -9.542 -2.457 1.00 15.00 C ATOM 949 C LEU A 66 0.860 -10.503 -1.605 1.00 15.00 C ATOM 950 O LEU A 66 1.233 -10.817 -0.474 1.00 15.00 O ATOM 951 CB LEU A 66 1.623 -8.130 -1.875 1.00 15.00 C ATOM 952 CG LEU A 66 2.980 -7.453 -1.683 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.813 -5.947 -1.570 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.682 -8.009 -0.453 1.00 15.00 C ATOM 0 H LEU A 66 0.530 -8.815 -4.045 1.00 15.00 H new ATOM 0 HA LEU A 66 2.719 -9.889 -2.445 1.00 15.00 H new ATOM 0 HB2 LEU A 66 1.013 -7.509 -2.531 1.00 15.00 H new ATOM 0 HB3 LEU A 66 1.114 -8.172 -0.912 1.00 15.00 H new ATOM 0 HG LEU A 66 3.598 -7.664 -2.556 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.789 -5.482 -1.434 1.00 15.00 H new ATOM 0 HD12 LEU A 66 2.352 -5.563 -2.480 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.178 -5.714 -0.715 1.00 15.00 H new ATOM 0 HD21 LEU A 66 4.647 -7.516 -0.331 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.068 -7.828 0.429 1.00 15.00 H new ATOM 0 HD23 LEU A 66 3.835 -9.081 -0.575 1.00 15.00 H new ATOM 966 N GLU A 67 -0.263 -10.971 -2.151 1.00 15.00 N ATOM 967 CA GLU A 67 -1.134 -11.899 -1.436 1.00 15.00 C ATOM 968 C GLU A 67 -0.324 -13.021 -0.792 1.00 15.00 C ATOM 969 O GLU A 67 0.108 -13.956 -1.468 1.00 15.00 O ATOM 970 CB GLU A 67 -2.176 -12.488 -2.388 1.00 15.00 C ATOM 971 CG GLU A 67 -1.585 -13.010 -3.688 1.00 15.00 C ATOM 972 CD GLU A 67 -2.295 -14.250 -4.195 1.00 15.00 C ATOM 973 OE1 GLU A 67 -3.511 -14.166 -4.471 1.00 15.00 O ATOM 974 OE2 GLU A 67 -1.636 -15.304 -4.318 1.00 15.00 O ATOM 0 H GLU A 67 -0.589 -10.722 -3.085 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.644 -11.345 -0.647 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.699 -13.301 -1.884 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.920 -11.725 -2.617 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -1.639 -12.229 -4.447 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -0.529 -13.236 -3.538 1.00 15.00 H new ATOM 981 N GLY A 68 -0.117 -12.916 0.515 1.00 15.00 N ATOM 982 CA GLY A 68 0.647 -13.921 1.229 1.00 15.00 C ATOM 983 C GLY A 68 2.004 -13.407 1.667 1.00 15.00 C ATOM 984 O GLY A 68 3.039 -13.897 1.215 1.00 15.00 O ATOM 0 H GLY A 68 -0.465 -12.152 1.094 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.085 -14.248 2.104 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.780 -14.795 0.591 1.00 15.00 H new ATOM 988 N ALA A 69 1.997 -12.413 2.550 1.00 15.00 N ATOM 989 CA ALA A 69 3.231 -11.825 3.053 1.00 15.00 C ATOM 990 C ALA A 69 2.942 -10.833 4.174 1.00 15.00 C ATOM 991 O ALA A 69 1.897 -10.185 4.190 1.00 15.00 O ATOM 992 CB ALA A 69 3.989 -11.143 1.923 1.00 15.00 C ATOM 0 H ALA A 69 1.147 -11.998 2.932 1.00 15.00 H new ATOM 0 HA ALA A 69 3.851 -12.625 3.459 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.909 -10.708 2.313 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.232 -11.876 1.153 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.370 -10.356 1.492 1.00 15.00 H new ATOM 998 N THR A 70 3.873 -10.724 5.115 1.00 15.00 N ATOM 999 CA THR A 70 3.715 -9.816 6.246 1.00 15.00 C ATOM 1000 C THR A 70 3.884 -8.362 5.813 1.00 15.00 C ATOM 1001 O THR A 70 4.007 -8.064 4.625 1.00 15.00 O ATOM 1002 CB THR A 70 4.731 -10.153 7.338 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.019 -9.676 6.990 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.848 -11.637 7.609 1.00 15.00 C ATOM 0 H THR A 70 4.745 -11.253 5.118 1.00 15.00 H new ATOM 0 HA THR A 70 2.706 -9.941 6.640 1.00 15.00 H new ATOM 0 HB THR A 70 4.360 -9.664 8.239 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.672 -10.400 7.084 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.585 -11.807 8.394 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.881 -12.026 7.929 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.162 -12.149 6.700 1.00 15.00 H new ATOM 1012 N HIS A 71 3.887 -7.462 6.791 1.00 15.00 N ATOM 1013 CA HIS A 71 4.036 -6.036 6.531 1.00 15.00 C ATOM 1014 C HIS A 71 5.381 -5.749 5.876 1.00 15.00 C ATOM 1015 O HIS A 71 5.445 -5.219 4.766 1.00 15.00 O ATOM 1016 CB HIS A 71 3.880 -5.253 7.847 1.00 15.00 C ATOM 1017 CG HIS A 71 4.888 -4.161 8.063 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.586 -4.008 9.242 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.306 -3.164 7.249 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.389 -2.964 9.145 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.238 -2.435 7.946 1.00 15.00 N ATOM 0 H HIS A 71 3.787 -7.699 7.778 1.00 15.00 H new ATOM 0 HA HIS A 71 3.258 -5.713 5.840 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.882 -4.815 7.875 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.944 -5.955 8.679 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.970 -2.977 6.240 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.055 -2.605 9.915 1.00 15.00 H new ATOM 0 HE2 HIS A 71 6.734 -1.616 7.593 1.00 15.00 H new ATOM 1030 N LYS A 72 6.450 -6.106 6.572 1.00 15.00 N ATOM 1031 CA LYS A 72 7.799 -5.895 6.067 1.00 15.00 C ATOM 1032 C LYS A 72 7.948 -6.481 4.667 1.00 15.00 C ATOM 1033 O LYS A 72 8.644 -5.922 3.821 1.00 15.00 O ATOM 1034 CB LYS A 72 8.813 -6.531 7.015 1.00 15.00 C ATOM 1035 CG LYS A 72 10.250 -6.116 6.742 1.00 15.00 C ATOM 1036 CD LYS A 72 11.225 -6.865 7.636 1.00 15.00 C ATOM 1037 CE LYS A 72 11.269 -8.345 7.296 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.604 -8.941 7.579 1.00 15.00 N ATOM 0 H LYS A 72 6.409 -6.545 7.492 1.00 15.00 H new ATOM 0 HA LYS A 72 7.986 -4.823 6.011 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.556 -6.264 8.040 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.737 -7.616 6.939 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.493 -6.307 5.697 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.357 -5.043 6.903 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.221 -6.436 7.529 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.934 -6.739 8.679 1.00 15.00 H new ATOM 0 HE2 LYS A 72 10.507 -8.872 7.870 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.026 -8.483 6.242 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.592 -9.952 7.333 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 13.328 -8.455 7.012 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.825 -8.833 8.589 1.00 15.00 H new ATOM 1052 N GLN A 73 7.277 -7.604 4.423 1.00 15.00 N ATOM 1053 CA GLN A 73 7.328 -8.249 3.116 1.00 15.00 C ATOM 1054 C GLN A 73 6.820 -7.290 2.053 1.00 15.00 C ATOM 1055 O GLN A 73 7.448 -7.113 1.010 1.00 15.00 O ATOM 1056 CB GLN A 73 6.497 -9.533 3.118 1.00 15.00 C ATOM 1057 CG GLN A 73 7.059 -10.612 4.029 1.00 15.00 C ATOM 1058 CD GLN A 73 6.983 -11.996 3.414 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.054 -12.757 3.682 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.965 -12.331 2.585 1.00 15.00 N ATOM 0 H GLN A 73 6.695 -8.083 5.110 1.00 15.00 H new ATOM 0 HA GLN A 73 8.361 -8.514 2.892 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.479 -9.298 3.430 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.438 -9.921 2.101 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.098 -10.379 4.263 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.512 -10.607 4.972 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.716 -11.669 2.390 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.968 -13.250 2.143 1.00 15.00 H new ATOM 1069 N ALA A 74 5.695 -6.645 2.340 1.00 15.00 N ATOM 1070 CA ALA A 74 5.134 -5.674 1.418 1.00 15.00 C ATOM 1071 C ALA A 74 6.057 -4.474 1.324 1.00 15.00 C ATOM 1072 O ALA A 74 6.439 -4.050 0.235 1.00 15.00 O ATOM 1073 CB ALA A 74 3.761 -5.233 1.863 1.00 15.00 C ATOM 0 H ALA A 74 5.159 -6.778 3.198 1.00 15.00 H new ATOM 0 HA ALA A 74 5.038 -6.142 0.438 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.365 -4.506 1.154 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.098 -6.097 1.906 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.828 -4.777 2.851 1.00 15.00 H new ATOM 1079 N VAL A 75 6.430 -3.951 2.492 1.00 15.00 N ATOM 1080 CA VAL A 75 7.339 -2.814 2.584 1.00 15.00 C ATOM 1081 C VAL A 75 8.456 -2.970 1.565 1.00 15.00 C ATOM 1082 O VAL A 75 8.824 -2.025 0.867 1.00 15.00 O ATOM 1083 CB VAL A 75 7.929 -2.719 4.014 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.447 -2.854 4.020 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.507 -1.433 4.693 1.00 15.00 C ATOM 0 H VAL A 75 6.111 -4.303 3.395 1.00 15.00 H new ATOM 0 HA VAL A 75 6.789 -1.897 2.373 1.00 15.00 H new ATOM 0 HB VAL A 75 7.525 -3.559 4.579 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.815 -2.781 5.044 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.728 -3.820 3.601 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.886 -2.057 3.419 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.935 -1.393 5.695 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.862 -0.582 4.112 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.420 -1.398 4.762 1.00 15.00 H new ATOM 1095 N GLU A 76 8.973 -4.186 1.483 1.00 15.00 N ATOM 1096 CA GLU A 76 10.032 -4.504 0.549 1.00 15.00 C ATOM 1097 C GLU A 76 9.525 -4.424 -0.887 1.00 15.00 C ATOM 1098 O GLU A 76 10.199 -3.874 -1.754 1.00 15.00 O ATOM 1099 CB GLU A 76 10.591 -5.900 0.834 1.00 15.00 C ATOM 1100 CG GLU A 76 11.250 -6.024 2.198 1.00 15.00 C ATOM 1101 CD GLU A 76 11.525 -7.465 2.583 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.563 -8.260 2.634 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.703 -7.799 2.832 1.00 15.00 O ATOM 0 H GLU A 76 8.671 -4.972 2.059 1.00 15.00 H new ATOM 0 HA GLU A 76 10.831 -3.773 0.675 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.783 -6.628 0.763 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.319 -6.155 0.064 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.187 -5.467 2.197 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.608 -5.567 2.951 1.00 15.00 H new ATOM 1110 N THR A 77 8.332 -4.970 -1.141 1.00 15.00 N ATOM 1111 CA THR A 77 7.767 -4.939 -2.487 1.00 15.00 C ATOM 1112 C THR A 77 7.475 -3.509 -2.932 1.00 15.00 C ATOM 1113 O THR A 77 7.960 -3.065 -3.972 1.00 15.00 O ATOM 1114 CB THR A 77 6.503 -5.790 -2.574 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.877 -5.888 -1.313 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.764 -7.197 -3.069 1.00 15.00 C ATOM 0 H THR A 77 7.749 -5.431 -0.443 1.00 15.00 H new ATOM 0 HA THR A 77 8.512 -5.361 -3.162 1.00 15.00 H new ATOM 0 HB THR A 77 5.861 -5.281 -3.293 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.704 -4.989 -0.963 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.825 -7.749 -3.108 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.202 -7.156 -4.066 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.453 -7.700 -2.390 1.00 15.00 H new ATOM 1124 N LEU A 78 6.681 -2.788 -2.138 1.00 15.00 N ATOM 1125 CA LEU A 78 6.332 -1.406 -2.464 1.00 15.00 C ATOM 1126 C LEU A 78 7.593 -0.591 -2.707 1.00 15.00 C ATOM 1127 O LEU A 78 7.690 0.156 -3.681 1.00 15.00 O ATOM 1128 CB LEU A 78 5.515 -0.761 -1.338 1.00 15.00 C ATOM 1129 CG LEU A 78 4.545 -1.689 -0.604 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.638 -0.887 0.318 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.720 -2.498 -1.594 1.00 15.00 C ATOM 0 H LEU A 78 6.271 -3.136 -1.271 1.00 15.00 H new ATOM 0 HA LEU A 78 5.725 -1.419 -3.369 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.206 -0.339 -0.609 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.947 0.070 -1.757 1.00 15.00 H new ATOM 0 HG LEU A 78 5.127 -2.384 0.002 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.954 -1.562 0.833 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.244 -0.355 1.052 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.066 -0.169 -0.269 1.00 15.00 H new ATOM 0 HD21 LEU A 78 3.037 -3.151 -1.051 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.147 -1.822 -2.229 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.384 -3.102 -2.213 1.00 15.00 H new ATOM 1143 N ARG A 79 8.560 -0.752 -1.815 1.00 15.00 N ATOM 1144 CA ARG A 79 9.826 -0.048 -1.926 1.00 15.00 C ATOM 1145 C ARG A 79 10.614 -0.559 -3.129 1.00 15.00 C ATOM 1146 O ARG A 79 11.009 0.215 -4.000 1.00 15.00 O ATOM 1147 CB ARG A 79 10.635 -0.231 -0.640 1.00 15.00 C ATOM 1148 CG ARG A 79 11.651 0.875 -0.395 1.00 15.00 C ATOM 1149 CD ARG A 79 13.078 0.348 -0.432 1.00 15.00 C ATOM 1150 NE ARG A 79 13.789 0.606 0.818 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.637 -0.124 1.920 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.805 -1.157 1.930 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.321 0.179 3.015 1.00 15.00 N ATOM 0 H ARG A 79 8.490 -1.367 -1.004 1.00 15.00 H new ATOM 0 HA ARG A 79 9.630 1.014 -2.071 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.950 -0.277 0.207 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.155 -1.188 -0.681 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.531 1.653 -1.149 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.459 1.337 0.573 1.00 15.00 H new ATOM 0 HD2 ARG A 79 13.064 -0.724 -0.626 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.615 0.814 -1.258 1.00 15.00 H new ATOM 0 HE ARG A 79 14.439 1.391 0.848 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.278 -1.395 1.090 1.00 15.00 H new ATOM 0 HH12 ARG A 79 12.693 -1.713 2.778 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.963 0.971 3.012 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.205 -0.380 3.860 1.00 15.00 H new ATOM 1167 N ASN A 80 10.835 -1.871 -3.165 1.00 15.00 N ATOM 1168 CA ASN A 80 11.571 -2.511 -4.255 1.00 15.00 C ATOM 1169 C ASN A 80 10.818 -2.423 -5.585 1.00 15.00 C ATOM 1170 O ASN A 80 10.530 -3.445 -6.208 1.00 15.00 O ATOM 1171 CB ASN A 80 11.841 -3.979 -3.917 1.00 15.00 C ATOM 1172 CG ASN A 80 12.729 -4.139 -2.698 1.00 15.00 C ATOM 1173 OD1 ASN A 80 12.915 -3.199 -1.924 1.00 15.00 O ATOM 1174 ND2 ASN A 80 13.282 -5.333 -2.520 1.00 15.00 N ATOM 0 H ASN A 80 10.512 -2.518 -2.445 1.00 15.00 H new ATOM 0 HA ASN A 80 12.514 -1.976 -4.367 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.894 -4.489 -3.742 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.311 -4.465 -4.772 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.888 -5.500 -1.717 1.00 15.00 H new ATOM 0 HD22 ASN A 80 13.101 -6.084 -3.186 1.00 15.00 H new ATOM 1181 N THR A 81 10.510 -1.208 -6.026 1.00 15.00 N ATOM 1182 CA THR A 81 9.806 -1.021 -7.290 1.00 15.00 C ATOM 1183 C THR A 81 10.802 -0.746 -8.412 1.00 15.00 C ATOM 1184 O THR A 81 11.025 -1.595 -9.276 1.00 15.00 O ATOM 1185 CB THR A 81 8.789 0.119 -7.178 1.00 15.00 C ATOM 1186 OG1 THR A 81 9.008 0.874 -6.000 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.353 -0.364 -7.153 1.00 15.00 C ATOM 0 H THR A 81 10.734 -0.344 -5.532 1.00 15.00 H new ATOM 0 HA THR A 81 9.264 -1.937 -7.525 1.00 15.00 H new ATOM 0 HB THR A 81 8.938 0.728 -8.069 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.486 0.491 -5.264 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.683 0.492 -7.073 1.00 15.00 H new ATOM 0 HG22 THR A 81 7.137 -0.909 -8.072 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.205 -1.022 -6.297 1.00 15.00 H new ATOM 1195 N GLY A 82 11.414 0.434 -8.385 1.00 15.00 N ATOM 1196 CA GLY A 82 12.395 0.782 -9.394 1.00 15.00 C ATOM 1197 C GLY A 82 11.971 1.943 -10.271 1.00 15.00 C ATOM 1198 O GLY A 82 12.137 3.106 -9.902 1.00 15.00 O ATOM 0 H GLY A 82 11.247 1.154 -7.682 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.336 1.031 -8.904 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.583 -0.088 -10.022 1.00 15.00 H new ATOM 1202 N GLN A 83 11.446 1.623 -11.447 1.00 15.00 N ATOM 1203 CA GLN A 83 11.017 2.641 -12.404 1.00 15.00 C ATOM 1204 C GLN A 83 9.855 3.479 -11.869 1.00 15.00 C ATOM 1205 O GLN A 83 10.064 4.550 -11.301 1.00 15.00 O ATOM 1206 CB GLN A 83 10.636 2.000 -13.747 1.00 15.00 C ATOM 1207 CG GLN A 83 10.023 0.612 -13.626 1.00 15.00 C ATOM 1208 CD GLN A 83 8.905 0.379 -14.625 1.00 15.00 C ATOM 1209 OE1 GLN A 83 8.153 1.295 -14.957 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.791 -0.852 -15.109 1.00 15.00 N ATOM 0 H GLN A 83 11.306 0.664 -11.764 1.00 15.00 H new ATOM 0 HA GLN A 83 11.863 3.311 -12.558 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.930 2.653 -14.261 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.526 1.938 -14.373 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.800 -0.138 -13.774 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.637 0.476 -12.616 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.437 -1.581 -14.806 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.058 -1.069 -15.784 1.00 15.00 H new ATOM 1219 N VAL A 84 8.631 2.996 -12.066 1.00 15.00 N ATOM 1220 CA VAL A 84 7.441 3.707 -11.615 1.00 15.00 C ATOM 1221 C VAL A 84 6.781 2.981 -10.445 1.00 15.00 C ATOM 1222 O VAL A 84 7.003 1.789 -10.234 1.00 15.00 O ATOM 1223 CB VAL A 84 6.427 3.868 -12.771 1.00 15.00 C ATOM 1224 CG1 VAL A 84 5.105 4.439 -12.276 1.00 15.00 C ATOM 1225 CG2 VAL A 84 7.010 4.752 -13.861 1.00 15.00 C ATOM 0 H VAL A 84 8.438 2.112 -12.537 1.00 15.00 H new ATOM 0 HA VAL A 84 7.754 4.696 -11.280 1.00 15.00 H new ATOM 0 HB VAL A 84 6.228 2.879 -13.183 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.415 4.539 -13.114 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.676 3.769 -11.531 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.276 5.418 -11.828 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.287 4.858 -14.669 1.00 15.00 H new ATOM 0 HG22 VAL A 84 7.240 5.735 -13.449 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.923 4.299 -14.248 1.00 15.00 H new ATOM 1235 N VAL A 85 5.966 3.707 -9.690 1.00 15.00 N ATOM 1236 CA VAL A 85 5.274 3.136 -8.547 1.00 15.00 C ATOM 1237 C VAL A 85 3.846 2.749 -8.926 1.00 15.00 C ATOM 1238 O VAL A 85 2.892 3.469 -8.632 1.00 15.00 O ATOM 1239 CB VAL A 85 5.265 4.130 -7.361 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.192 3.783 -6.339 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.637 4.182 -6.702 1.00 15.00 C ATOM 0 H VAL A 85 5.769 4.695 -9.851 1.00 15.00 H new ATOM 0 HA VAL A 85 5.808 2.237 -8.239 1.00 15.00 H new ATOM 0 HB VAL A 85 5.027 5.116 -7.759 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.220 4.505 -5.523 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.212 3.812 -6.816 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.374 2.783 -5.945 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.614 4.885 -5.870 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.901 3.191 -6.333 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.379 4.507 -7.431 1.00 15.00 H new ATOM 1251 N HIS A 86 3.714 1.601 -9.585 1.00 15.00 N ATOM 1252 CA HIS A 86 2.410 1.103 -10.009 1.00 15.00 C ATOM 1253 C HIS A 86 1.922 0.012 -9.063 1.00 15.00 C ATOM 1254 O HIS A 86 2.112 -1.177 -9.317 1.00 15.00 O ATOM 1255 CB HIS A 86 2.487 0.562 -11.438 1.00 15.00 C ATOM 1256 CG HIS A 86 1.291 0.901 -12.271 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.003 0.631 -11.876 1.00 15.00 N ATOM 1258 CD2 HIS A 86 1.195 1.492 -13.486 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -0.841 1.041 -12.811 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.140 1.567 -13.798 1.00 15.00 N ATOM 0 H HIS A 86 4.497 0.997 -9.837 1.00 15.00 H new ATOM 0 HA HIS A 86 1.701 1.930 -9.983 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.380 0.959 -11.921 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.599 -0.522 -11.402 1.00 15.00 H new ATOM 0 HD2 HIS A 86 2.016 1.840 -14.096 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -1.917 0.960 -12.774 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -0.527 1.965 -14.654 1.00 15.00 H new ATOM 1269 N LEU A 87 1.305 0.428 -7.963 1.00 15.00 N ATOM 1270 CA LEU A 87 0.801 -0.506 -6.965 1.00 15.00 C ATOM 1271 C LEU A 87 -0.704 -0.709 -7.098 1.00 15.00 C ATOM 1272 O LEU A 87 -1.466 0.252 -7.123 1.00 15.00 O ATOM 1273 CB LEU A 87 1.126 0.011 -5.562 1.00 15.00 C ATOM 1274 CG LEU A 87 2.063 -0.875 -4.748 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.149 -0.038 -4.087 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.278 -1.653 -3.704 1.00 15.00 C ATOM 0 H LEU A 87 1.142 1.410 -7.740 1.00 15.00 H new ATOM 0 HA LEU A 87 1.288 -1.467 -7.129 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.573 1.001 -5.651 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.193 0.131 -5.010 1.00 15.00 H new ATOM 0 HG LEU A 87 2.542 -1.585 -5.422 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.808 -0.687 -3.510 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.727 0.478 -4.853 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.690 0.695 -3.423 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.959 -2.281 -3.130 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.775 -0.956 -3.033 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.536 -2.280 -4.199 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.126 -1.967 -7.163 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.544 -2.294 -7.269 1.00 15.00 C ATOM 1290 C LEU A 88 -3.071 -2.745 -5.912 1.00 15.00 C ATOM 1291 O LEU A 88 -2.863 -3.886 -5.501 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.763 -3.388 -8.316 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.892 -2.890 -9.759 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -1.867 -1.804 -10.047 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.735 -4.046 -10.736 1.00 15.00 C ATOM 0 H LEU A 88 -0.507 -2.777 -7.144 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.090 -1.405 -7.584 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -1.932 -4.091 -8.264 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.665 -3.942 -8.057 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.886 -2.462 -9.887 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.976 -1.465 -11.077 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.026 -0.965 -9.370 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -0.863 -2.203 -9.901 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -2.829 -3.675 -11.757 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.754 -4.502 -10.605 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.509 -4.790 -10.547 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.730 -1.832 -5.211 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.262 -2.123 -3.885 1.00 15.00 C ATOM 1309 C LEU A 89 -5.776 -2.294 -3.902 1.00 15.00 C ATOM 1310 O LEU A 89 -6.384 -2.519 -4.948 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.895 -1.005 -2.906 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.845 -0.027 -3.406 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.819 1.213 -2.536 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.490 -0.694 -3.426 1.00 15.00 C ATOM 0 H LEU A 89 -3.909 -0.883 -5.538 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.815 -3.063 -3.562 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.799 -0.448 -2.659 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.537 -1.457 -1.981 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.100 0.277 -4.421 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.061 1.903 -2.908 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.795 1.697 -2.563 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.582 0.933 -1.510 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.742 0.013 -3.785 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.229 -1.018 -2.418 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.520 -1.559 -4.089 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.370 -2.164 -2.721 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.813 -2.278 -2.556 1.00 15.00 C ATOM 1328 C GLU A 90 -8.301 -1.258 -1.529 1.00 15.00 C ATOM 1329 O GLU A 90 -7.720 -1.122 -0.453 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.188 -3.703 -2.127 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.393 -3.784 -1.199 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.759 -5.211 -0.840 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.544 -6.108 -1.682 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.260 -5.431 0.282 1.00 15.00 O ATOM 0 H GLU A 90 -5.866 -1.977 -1.854 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.298 -2.070 -3.510 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.391 -4.296 -3.019 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.331 -4.157 -1.630 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.182 -3.227 -0.286 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.247 -3.303 -1.676 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.366 -0.540 -1.870 1.00 15.00 N ATOM 1342 CA LYS A 91 -9.924 0.471 -0.976 1.00 15.00 C ATOM 1343 C LYS A 91 -10.122 -0.087 0.431 1.00 15.00 C ATOM 1344 O LYS A 91 -11.139 -0.716 0.724 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.254 0.989 -1.528 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.329 2.505 -1.611 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.003 3.156 -0.276 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.808 4.656 -0.420 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.064 5.344 -0.828 1.00 15.00 N ATOM 0 H LYS A 91 -9.860 -0.638 -2.757 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.216 1.297 -0.917 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.413 0.571 -2.522 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.065 0.627 -0.896 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -10.634 2.863 -2.370 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.328 2.804 -1.928 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.808 2.959 0.432 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.099 2.709 0.137 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.459 5.069 0.527 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.031 4.852 -1.159 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -11.892 6.367 -0.899 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -12.375 4.981 -1.752 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.804 5.165 -0.119 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.141 0.148 1.297 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.222 -0.336 2.662 1.00 15.00 C ATOM 1365 C GLY A 92 -10.297 0.366 3.467 1.00 15.00 C ATOM 1366 O GLY A 92 -10.376 1.594 3.473 1.00 15.00 O ATOM 0 H GLY A 92 -8.290 0.666 1.077 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.422 -1.407 2.652 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.258 -0.196 3.151 1.00 15.00 H new