USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 922 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 12 GLN : amide:sc= -0.188 X(o=-0.27,f=-0.16) USER MOD Set 1.2: A 32 GLN : amide:sc= -0.0777 X(o=-0.27,f=-0.11) USER MOD Set 2.1: A 20 ASN : amide:sc= -6.24! C(o=-6.2!,f=-9.3!) USER MOD Set 2.2: A 24 ASN : amide:sc= 0 X(o=-6.2,f=-6.1) USER MOD Single : A 5 LYS NZ :NH3+ -153:sc= -0.417 (180deg=-1.26) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.633) USER MOD Single : A 28 TYR OH : rot 161:sc= 0.015 USER MOD Single : A 29 GLN : amide:sc= -0.307 K(o=-0.31,f=-1) USER MOD Single : A 30 THR OG1 : rot -178:sc= -0.715 USER MOD Single : A 35 ASN : amide:sc= -3.09! C(o=-3.1!,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 55 MET CE :methyl 142:sc= -11.1! (180deg=-16.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 148:sc= -0.15 (180deg=-1.99!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -171:sc= -1.31 (180deg=-1.5) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.5!) USER MOD Single : A 81 MET CE :methyl 174:sc= -11.9! (180deg=-12.5!) USER MOD Single : A 82 THR OG1 : rot 130:sc= -0.0177 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -159:sc= -3.26! (180deg=-5.25!) USER MOD Single : A 91 GLN : amide:sc= -0.298 K(o=-0.3,f=-2!) USER MOD Single : A 93 SER OG : rot -64:sc= -2.43 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -123:sc= -0.218 USER MOD Single : A 101 HIS :FLIP no HE2:sc= -6.17! C(o=-6.9!,f=-6.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -5.134 -9.402 11.215 1.00 0.00 N ATOM 50 CA GLU A 4 -4.869 -8.554 10.066 1.00 0.00 C ATOM 51 C GLU A 4 -3.531 -7.832 10.236 1.00 0.00 C ATOM 52 O GLU A 4 -3.087 -7.595 11.358 1.00 0.00 O ATOM 53 CB GLU A 4 -6.007 -7.555 9.848 1.00 0.00 C ATOM 54 CG GLU A 4 -6.653 -7.750 8.474 1.00 0.00 C ATOM 55 CD GLU A 4 -8.176 -7.631 8.562 1.00 0.00 C ATOM 56 OE1 GLU A 4 -8.641 -6.506 8.842 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.839 -8.668 8.347 1.00 0.00 O ATOM 0 HA GLU A 4 -4.809 -9.185 9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.758 -7.679 10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.624 -6.538 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.266 -7.006 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.383 -8.729 8.077 1.00 0.00 H new ATOM 64 N LYS A 5 -2.925 -7.502 9.104 1.00 0.00 N ATOM 65 CA LYS A 5 -1.647 -6.811 9.114 1.00 0.00 C ATOM 66 C LYS A 5 -1.556 -5.897 7.890 1.00 0.00 C ATOM 67 O LYS A 5 -1.989 -6.269 6.800 1.00 0.00 O ATOM 68 CB LYS A 5 -0.496 -7.815 9.218 1.00 0.00 C ATOM 69 CG LYS A 5 -0.312 -8.290 10.661 1.00 0.00 C ATOM 70 CD LYS A 5 -0.683 -9.768 10.803 1.00 0.00 C ATOM 71 CE LYS A 5 0.509 -10.667 10.467 1.00 0.00 C ATOM 72 NZ LYS A 5 0.525 -11.857 11.346 1.00 0.00 N ATOM 0 H LYS A 5 -3.296 -7.700 8.175 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.566 -6.174 9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.695 -8.670 8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.426 -7.355 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.723 -8.140 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.932 -7.690 11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.017 -9.967 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.518 -10.002 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.454 -10.979 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.438 -10.108 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.501 -12.200 11.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.148 -11.603 12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.063 -12.606 10.927 1.00 0.00 H new ATOM 86 N ILE A 6 -0.991 -4.719 8.112 1.00 0.00 N ATOM 87 CA ILE A 6 -0.839 -3.749 7.041 1.00 0.00 C ATOM 88 C ILE A 6 0.510 -3.043 7.187 1.00 0.00 C ATOM 89 O ILE A 6 1.099 -3.039 8.267 1.00 0.00 O ATOM 90 CB ILE A 6 -2.033 -2.794 7.009 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.012 -3.176 5.897 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.570 -1.341 6.890 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.947 -4.299 6.352 1.00 0.00 C ATOM 0 H ILE A 6 -0.633 -4.415 9.017 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.835 -4.248 6.072 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.568 -2.885 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.599 -2.304 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.458 -3.494 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.439 -0.683 6.869 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.943 -1.088 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.998 -1.216 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.633 -4.552 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.359 -5.178 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.517 -3.969 7.221 1.00 0.00 H new ATOM 105 N LEU A 7 0.961 -2.463 6.084 1.00 0.00 N ATOM 106 CA LEU A 7 2.230 -1.755 6.076 1.00 0.00 C ATOM 107 C LEU A 7 2.047 -0.398 5.394 1.00 0.00 C ATOM 108 O LEU A 7 1.270 -0.274 4.448 1.00 0.00 O ATOM 109 CB LEU A 7 3.321 -2.620 5.442 1.00 0.00 C ATOM 110 CG LEU A 7 4.591 -2.813 6.273 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.271 -3.465 7.620 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.644 -3.601 5.491 1.00 0.00 C ATOM 0 H LEU A 7 0.470 -2.469 5.190 1.00 0.00 H new ATOM 0 HA LEU A 7 2.563 -1.558 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.899 -3.602 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.600 -2.176 4.486 1.00 0.00 H new ATOM 0 HG LEU A 7 5.014 -1.831 6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.191 -3.591 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.582 -2.830 8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.812 -4.439 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.536 -3.724 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.245 -4.581 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.901 -3.060 4.581 1.00 0.00 H new ATOM 124 N ILE A 8 2.776 0.586 5.900 1.00 0.00 N ATOM 125 CA ILE A 8 2.705 1.929 5.351 1.00 0.00 C ATOM 126 C ILE A 8 4.109 2.391 4.960 1.00 0.00 C ATOM 127 O ILE A 8 5.051 2.258 5.740 1.00 0.00 O ATOM 128 CB ILE A 8 1.998 2.870 6.329 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.520 2.501 6.475 1.00 0.00 C ATOM 130 CG2 ILE A 8 2.186 4.332 5.917 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.015 2.913 7.848 1.00 0.00 C ATOM 0 H ILE A 8 3.419 0.480 6.685 1.00 0.00 H new ATOM 0 HA ILE A 8 2.102 1.938 4.443 1.00 0.00 H new ATOM 0 HB ILE A 8 2.458 2.750 7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.060 2.991 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.395 1.427 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.674 4.979 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.249 4.573 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.769 4.486 4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.067 2.639 7.926 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.551 2.403 8.627 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.090 3.991 7.971 1.00 0.00 H new ATOM 143 N VAL A 9 4.206 2.926 3.751 1.00 0.00 N ATOM 144 CA VAL A 9 5.481 3.408 3.246 1.00 0.00 C ATOM 145 C VAL A 9 5.284 4.787 2.613 1.00 0.00 C ATOM 146 O VAL A 9 4.354 4.990 1.834 1.00 0.00 O ATOM 147 CB VAL A 9 6.081 2.386 2.279 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.494 2.795 1.857 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.076 0.984 2.890 1.00 0.00 C ATOM 0 H VAL A 9 3.423 3.036 3.107 1.00 0.00 H new ATOM 0 HA VAL A 9 6.196 3.523 4.060 1.00 0.00 H new ATOM 0 HB VAL A 9 5.457 2.364 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.898 2.052 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.459 3.766 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.133 2.859 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.508 0.277 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.665 0.985 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.051 0.690 3.117 1.00 0.00 H new ATOM 159 N ASP A 10 6.175 5.700 2.972 1.00 0.00 N ATOM 160 CA ASP A 10 6.111 7.054 2.448 1.00 0.00 C ATOM 161 C ASP A 10 4.650 7.504 2.388 1.00 0.00 C ATOM 162 O ASP A 10 3.790 6.921 3.045 1.00 0.00 O ATOM 163 CB ASP A 10 6.687 7.125 1.033 1.00 0.00 C ATOM 164 CG ASP A 10 7.456 5.880 0.584 1.00 0.00 C ATOM 165 OD1 ASP A 10 6.793 4.969 0.043 1.00 0.00 O ATOM 166 OD2 ASP A 10 8.688 5.868 0.792 1.00 0.00 O ATOM 0 H ASP A 10 6.945 5.529 3.619 1.00 0.00 H new ATOM 0 HA ASP A 10 6.694 7.698 3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.870 7.301 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.352 7.986 0.970 1.00 0.00 H new ATOM 171 N ASP A 11 4.416 8.538 1.593 1.00 0.00 N ATOM 172 CA ASP A 11 3.074 9.074 1.438 1.00 0.00 C ATOM 173 C ASP A 11 2.552 9.532 2.801 1.00 0.00 C ATOM 174 O ASP A 11 1.362 9.802 2.955 1.00 0.00 O ATOM 175 CB ASP A 11 2.116 8.010 0.898 1.00 0.00 C ATOM 176 CG ASP A 11 0.828 8.556 0.277 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.932 9.137 -0.825 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.230 8.379 0.918 1.00 0.00 O ATOM 0 H ASP A 11 5.133 9.019 1.049 1.00 0.00 H new ATOM 0 HA ASP A 11 3.122 9.907 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.640 7.417 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.852 7.334 1.711 1.00 0.00 H new ATOM 183 N GLN A 12 3.468 9.605 3.756 1.00 0.00 N ATOM 184 CA GLN A 12 3.114 10.026 5.101 1.00 0.00 C ATOM 185 C GLN A 12 3.052 11.553 5.180 1.00 0.00 C ATOM 186 O GLN A 12 4.068 12.228 5.026 1.00 0.00 O ATOM 187 CB GLN A 12 4.099 9.464 6.128 1.00 0.00 C ATOM 188 CG GLN A 12 5.541 9.589 5.631 1.00 0.00 C ATOM 189 CD GLN A 12 6.511 9.765 6.801 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.376 8.942 7.052 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.319 10.880 7.500 1.00 0.00 N ATOM 0 H GLN A 12 4.454 9.380 3.625 1.00 0.00 H new ATOM 0 HA GLN A 12 2.127 9.629 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.989 9.997 7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.868 8.417 6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.811 8.700 5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.624 10.439 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.576 11.526 7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.915 11.089 8.301 1.00 0.00 H new ATOM 200 N TYR A 13 1.848 12.052 5.420 1.00 0.00 N ATOM 201 CA TYR A 13 1.639 13.487 5.522 1.00 0.00 C ATOM 202 C TYR A 13 0.276 13.800 6.141 1.00 0.00 C ATOM 203 O TYR A 13 -0.334 14.821 5.824 1.00 0.00 O ATOM 204 CB TYR A 13 1.670 14.020 4.088 1.00 0.00 C ATOM 205 CG TYR A 13 2.682 15.145 3.864 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.428 16.409 4.357 1.00 0.00 C ATOM 207 CD2 TYR A 13 3.848 14.897 3.169 1.00 0.00 C ATOM 208 CE1 TYR A 13 3.381 17.469 4.146 1.00 0.00 C ATOM 209 CE2 TYR A 13 4.800 15.956 2.958 1.00 0.00 C ATOM 210 CZ TYR A 13 4.520 17.190 3.457 1.00 0.00 C ATOM 211 OH TYR A 13 5.419 18.190 3.258 1.00 0.00 O ATOM 0 H TYR A 13 1.007 11.488 5.547 1.00 0.00 H new ATOM 0 HA TYR A 13 2.402 13.942 6.154 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.900 13.198 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.676 14.381 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.515 16.603 4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.046 13.908 2.783 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.195 18.463 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.716 15.775 2.416 1.00 0.00 H new ATOM 0 HH TYR A 13 6.184 17.846 2.752 1.00 0.00 H new ATOM 221 N GLY A 14 -0.163 12.903 7.012 1.00 0.00 N ATOM 222 CA GLY A 14 -1.443 13.071 7.678 1.00 0.00 C ATOM 223 C GLY A 14 -2.482 12.095 7.123 1.00 0.00 C ATOM 224 O GLY A 14 -3.580 11.976 7.666 1.00 0.00 O ATOM 0 H GLY A 14 0.345 12.058 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.323 12.910 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.794 14.095 7.547 1.00 0.00 H new ATOM 228 N ILE A 15 -2.099 11.420 6.049 1.00 0.00 N ATOM 229 CA ILE A 15 -2.984 10.457 5.416 1.00 0.00 C ATOM 230 C ILE A 15 -2.728 9.069 6.007 1.00 0.00 C ATOM 231 O ILE A 15 -3.668 8.321 6.272 1.00 0.00 O ATOM 232 CB ILE A 15 -2.835 10.514 3.894 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.443 11.800 3.331 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.428 9.265 3.238 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.401 12.603 2.551 1.00 0.00 C ATOM 0 H ILE A 15 -1.188 11.521 5.601 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.026 10.704 5.622 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.772 10.529 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.281 11.555 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.839 12.406 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.309 9.331 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.910 8.380 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.488 9.194 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.859 13.512 2.161 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.576 12.867 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.025 12.003 1.723 1.00 0.00 H new ATOM 247 N ARG A 16 -1.452 8.768 6.196 1.00 0.00 N ATOM 248 CA ARG A 16 -1.061 7.483 6.752 1.00 0.00 C ATOM 249 C ARG A 16 -1.853 7.193 8.028 1.00 0.00 C ATOM 250 O ARG A 16 -2.233 6.051 8.282 1.00 0.00 O ATOM 251 CB ARG A 16 0.435 7.453 7.070 1.00 0.00 C ATOM 252 CG ARG A 16 0.871 8.738 7.777 1.00 0.00 C ATOM 253 CD ARG A 16 2.181 8.528 8.539 1.00 0.00 C ATOM 254 NE ARG A 16 1.896 8.136 9.937 1.00 0.00 N ATOM 255 CZ ARG A 16 2.767 8.268 10.946 1.00 0.00 C ATOM 256 NH1 ARG A 16 3.983 8.782 10.719 1.00 0.00 N ATOM 257 NH2 ARG A 16 2.422 7.884 12.183 1.00 0.00 N ATOM 0 H ARG A 16 -0.676 9.391 5.974 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.277 6.719 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.659 6.593 7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.004 7.330 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.996 9.536 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.092 9.059 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.776 7.756 8.050 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.772 9.444 8.523 1.00 0.00 H new ATOM 0 HE ARG A 16 0.979 7.741 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.246 9.073 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.646 8.882 11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.497 7.491 12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.085 7.984 12.952 1.00 0.00 H new ATOM 271 N ILE A 17 -2.080 8.248 8.798 1.00 0.00 N ATOM 272 CA ILE A 17 -2.820 8.121 10.042 1.00 0.00 C ATOM 273 C ILE A 17 -4.277 7.772 9.730 1.00 0.00 C ATOM 274 O ILE A 17 -4.841 6.856 10.326 1.00 0.00 O ATOM 275 CB ILE A 17 -2.658 9.382 10.893 1.00 0.00 C ATOM 276 CG1 ILE A 17 -1.187 9.627 11.236 1.00 0.00 C ATOM 277 CG2 ILE A 17 -3.534 9.315 12.145 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.908 11.120 11.420 1.00 0.00 C ATOM 0 H ILE A 17 -1.764 9.194 8.584 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.418 7.305 10.643 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.999 10.235 10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.928 9.090 12.149 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.554 9.230 10.442 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.400 10.224 12.732 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.580 9.223 11.853 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.247 8.451 12.744 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.144 11.266 11.663 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.145 11.651 10.498 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.525 11.508 12.230 1.00 0.00 H new ATOM 290 N LEU A 18 -4.844 8.522 8.797 1.00 0.00 N ATOM 291 CA LEU A 18 -6.225 8.304 8.399 1.00 0.00 C ATOM 292 C LEU A 18 -6.470 6.804 8.226 1.00 0.00 C ATOM 293 O LEU A 18 -7.396 6.250 8.817 1.00 0.00 O ATOM 294 CB LEU A 18 -6.560 9.129 7.156 1.00 0.00 C ATOM 295 CG LEU A 18 -8.031 9.516 6.984 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.334 10.844 7.681 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.422 9.543 5.505 1.00 0.00 C ATOM 0 H LEU A 18 -4.373 9.281 8.305 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.905 8.651 9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.965 10.042 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.247 8.567 6.276 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.643 8.753 7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.386 11.096 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.119 10.753 8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.714 11.630 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.472 9.821 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.805 10.272 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.268 8.556 5.070 1.00 0.00 H new ATOM 309 N LEU A 19 -5.624 6.188 7.413 1.00 0.00 N ATOM 310 CA LEU A 19 -5.737 4.763 7.155 1.00 0.00 C ATOM 311 C LEU A 19 -5.215 3.986 8.365 1.00 0.00 C ATOM 312 O LEU A 19 -5.531 2.810 8.536 1.00 0.00 O ATOM 313 CB LEU A 19 -5.040 4.399 5.843 1.00 0.00 C ATOM 314 CG LEU A 19 -3.517 4.261 5.909 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.091 2.800 5.752 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.840 5.169 4.880 1.00 0.00 C ATOM 0 H LEU A 19 -4.857 6.650 6.924 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.782 4.482 7.023 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.455 3.458 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.284 5.160 5.101 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.187 4.588 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.004 2.730 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.530 2.205 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.434 2.422 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.758 5.052 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.173 4.896 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.106 6.207 5.080 1.00 0.00 H new ATOM 328 N ASN A 20 -4.424 4.676 9.174 1.00 0.00 N ATOM 329 CA ASN A 20 -3.855 4.066 10.364 1.00 0.00 C ATOM 330 C ASN A 20 -4.972 3.779 11.369 1.00 0.00 C ATOM 331 O ASN A 20 -5.215 2.625 11.719 1.00 0.00 O ATOM 332 CB ASN A 20 -2.846 5.001 11.033 1.00 0.00 C ATOM 333 CG ASN A 20 -2.095 4.284 12.157 1.00 0.00 C ATOM 334 OD1 ASN A 20 -2.265 3.099 12.394 1.00 0.00 O ATOM 335 ND2 ASN A 20 -1.258 5.065 12.833 1.00 0.00 N ATOM 0 H ASN A 20 -4.164 5.651 9.029 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.351 3.147 10.064 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.136 5.366 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.363 5.872 11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.710 4.680 13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.164 6.049 12.582 1.00 0.00 H new ATOM 342 N GLU A 21 -5.622 4.848 11.805 1.00 0.00 N ATOM 343 CA GLU A 21 -6.708 4.725 12.762 1.00 0.00 C ATOM 344 C GLU A 21 -7.719 3.680 12.287 1.00 0.00 C ATOM 345 O GLU A 21 -8.477 3.136 13.088 1.00 0.00 O ATOM 346 CB GLU A 21 -7.385 6.076 12.999 1.00 0.00 C ATOM 347 CG GLU A 21 -8.476 5.963 14.066 1.00 0.00 C ATOM 348 CD GLU A 21 -8.756 7.322 14.711 1.00 0.00 C ATOM 349 OE1 GLU A 21 -9.144 8.239 13.955 1.00 0.00 O ATOM 350 OE2 GLU A 21 -8.576 7.413 15.944 1.00 0.00 O ATOM 0 H GLU A 21 -5.417 5.804 11.513 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.292 4.392 13.713 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.641 6.810 13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.819 6.438 12.067 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.390 5.575 13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.169 5.250 14.831 1.00 0.00 H new ATOM 357 N VAL A 22 -7.697 3.431 10.986 1.00 0.00 N ATOM 358 CA VAL A 22 -8.603 2.460 10.395 1.00 0.00 C ATOM 359 C VAL A 22 -8.189 1.053 10.827 1.00 0.00 C ATOM 360 O VAL A 22 -8.946 0.359 11.503 1.00 0.00 O ATOM 361 CB VAL A 22 -8.635 2.634 8.875 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.418 1.499 8.210 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.213 3.997 8.490 1.00 0.00 C ATOM 0 H VAL A 22 -7.067 3.884 10.325 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.621 2.622 10.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.608 2.592 8.512 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.426 1.646 7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.944 0.545 8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.442 1.496 8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.224 4.094 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.230 4.082 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.597 4.788 8.919 1.00 0.00 H new ATOM 373 N PHE A 23 -6.987 0.673 10.419 1.00 0.00 N ATOM 374 CA PHE A 23 -6.462 -0.640 10.756 1.00 0.00 C ATOM 375 C PHE A 23 -6.050 -0.704 12.228 1.00 0.00 C ATOM 376 O PHE A 23 -6.247 -1.724 12.888 1.00 0.00 O ATOM 377 CB PHE A 23 -5.227 -0.866 9.883 1.00 0.00 C ATOM 378 CG PHE A 23 -3.943 -0.258 10.451 1.00 0.00 C ATOM 379 CD1 PHE A 23 -3.424 -0.732 11.616 1.00 0.00 C ATOM 380 CD2 PHE A 23 -3.321 0.755 9.792 1.00 0.00 C ATOM 381 CE1 PHE A 23 -2.233 -0.168 12.143 1.00 0.00 C ATOM 382 CE2 PHE A 23 -2.129 1.319 10.320 1.00 0.00 C ATOM 383 CZ PHE A 23 -1.610 0.846 11.484 1.00 0.00 C ATOM 0 H PHE A 23 -6.361 1.251 9.858 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.224 -1.400 10.586 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.081 -1.938 9.749 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.411 -0.443 8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.918 -1.537 12.139 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.733 1.131 8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.821 -0.544 13.068 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.635 2.124 9.796 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.704 1.275 11.885 1.00 0.00 H new ATOM 393 N ASN A 24 -5.486 0.398 12.701 1.00 0.00 N ATOM 394 CA ASN A 24 -5.044 0.479 14.082 1.00 0.00 C ATOM 395 C ASN A 24 -6.240 0.252 15.010 1.00 0.00 C ATOM 396 O ASN A 24 -6.090 -0.301 16.098 1.00 0.00 O ATOM 397 CB ASN A 24 -4.460 1.859 14.393 1.00 0.00 C ATOM 398 CG ASN A 24 -3.384 1.767 15.477 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.228 1.477 15.217 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.827 2.029 16.703 1.00 0.00 N ATOM 0 H ASN A 24 -5.325 1.242 12.152 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.277 -0.281 14.236 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.033 2.290 13.487 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.255 2.529 14.720 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.186 1.994 17.495 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.808 2.265 16.851 1.00 0.00 H new ATOM 407 N LYS A 25 -7.400 0.690 14.545 1.00 0.00 N ATOM 408 CA LYS A 25 -8.621 0.542 15.319 1.00 0.00 C ATOM 409 C LYS A 25 -8.761 -0.914 15.767 1.00 0.00 C ATOM 410 O LYS A 25 -9.334 -1.191 16.820 1.00 0.00 O ATOM 411 CB LYS A 25 -9.824 1.060 14.528 1.00 0.00 C ATOM 412 CG LYS A 25 -10.378 2.343 15.150 1.00 0.00 C ATOM 413 CD LYS A 25 -11.867 2.505 14.840 1.00 0.00 C ATOM 414 CE LYS A 25 -12.364 3.895 15.242 1.00 0.00 C ATOM 415 NZ LYS A 25 -12.145 4.862 14.143 1.00 0.00 N ATOM 0 H LYS A 25 -7.521 1.148 13.642 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.576 1.152 16.221 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.531 1.250 13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.603 0.298 14.503 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.228 2.322 16.229 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.828 3.203 14.768 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.039 2.347 13.775 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.438 1.743 15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.425 3.851 15.489 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.841 4.229 16.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.975 5.808 14.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.319 4.569 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.986 4.890 13.532 1.00 0.00 H new ATOM 429 N GLU A 26 -8.229 -1.807 14.946 1.00 0.00 N ATOM 430 CA GLU A 26 -8.287 -3.228 15.245 1.00 0.00 C ATOM 431 C GLU A 26 -7.075 -3.645 16.080 1.00 0.00 C ATOM 432 O GLU A 26 -7.111 -4.665 16.766 1.00 0.00 O ATOM 433 CB GLU A 26 -8.379 -4.055 13.961 1.00 0.00 C ATOM 434 CG GLU A 26 -9.714 -3.819 13.251 1.00 0.00 C ATOM 435 CD GLU A 26 -10.800 -4.745 13.804 1.00 0.00 C ATOM 436 OE1 GLU A 26 -10.880 -4.847 15.047 1.00 0.00 O ATOM 437 OE2 GLU A 26 -11.525 -5.329 12.970 1.00 0.00 O ATOM 0 H GLU A 26 -7.755 -1.574 14.073 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.188 -3.420 15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.557 -3.792 13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.271 -5.114 14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.018 -2.780 13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.596 -3.989 12.181 1.00 0.00 H new ATOM 444 N GLY A 27 -6.031 -2.834 15.995 1.00 0.00 N ATOM 445 CA GLY A 27 -4.810 -3.106 16.734 1.00 0.00 C ATOM 446 C GLY A 27 -3.898 -4.058 15.957 1.00 0.00 C ATOM 447 O GLY A 27 -3.022 -4.697 16.537 1.00 0.00 O ATOM 0 H GLY A 27 -6.005 -1.988 15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.284 -2.172 16.930 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.056 -3.542 17.702 1.00 0.00 H new ATOM 451 N TYR A 28 -4.137 -4.123 14.655 1.00 0.00 N ATOM 452 CA TYR A 28 -3.348 -4.986 13.792 1.00 0.00 C ATOM 453 C TYR A 28 -1.887 -4.533 13.751 1.00 0.00 C ATOM 454 O TYR A 28 -1.596 -3.349 13.911 1.00 0.00 O ATOM 455 CB TYR A 28 -3.952 -4.848 12.393 1.00 0.00 C ATOM 456 CG TYR A 28 -5.394 -5.348 12.285 1.00 0.00 C ATOM 457 CD1 TYR A 28 -5.801 -6.443 13.020 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.288 -4.704 11.454 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.158 -6.914 12.919 1.00 0.00 C ATOM 460 CE2 TYR A 28 -7.645 -5.174 11.353 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.013 -6.256 12.090 1.00 0.00 C ATOM 462 OH TYR A 28 -9.295 -6.700 11.995 1.00 0.00 O ATOM 0 H TYR A 28 -4.865 -3.592 14.177 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.366 -6.013 14.156 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.919 -3.800 12.096 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.333 -5.400 11.685 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.102 -6.947 13.671 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.969 -3.847 10.879 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.489 -7.770 13.488 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.354 -4.679 10.707 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.861 -5.990 11.627 1.00 0.00 H new ATOM 472 N GLN A 29 -1.007 -5.500 13.534 1.00 0.00 N ATOM 473 CA GLN A 29 0.416 -5.215 13.469 1.00 0.00 C ATOM 474 C GLN A 29 0.750 -4.465 12.178 1.00 0.00 C ATOM 475 O GLN A 29 0.601 -5.008 11.085 1.00 0.00 O ATOM 476 CB GLN A 29 1.238 -6.501 13.585 1.00 0.00 C ATOM 477 CG GLN A 29 2.662 -6.201 14.055 1.00 0.00 C ATOM 478 CD GLN A 29 3.554 -7.437 13.926 1.00 0.00 C ATOM 479 OE1 GLN A 29 3.599 -8.098 12.901 1.00 0.00 O ATOM 480 NE2 GLN A 29 4.259 -7.712 15.020 1.00 0.00 N ATOM 0 H GLN A 29 -1.252 -6.481 13.401 1.00 0.00 H new ATOM 0 HA GLN A 29 0.678 -4.577 14.313 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.756 -7.183 14.286 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.269 -7.006 12.619 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.079 -5.384 13.466 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.644 -5.868 15.093 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.174 -7.117 15.844 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.884 -8.518 15.035 1.00 0.00 H new ATOM 489 N THR A 30 1.194 -3.229 12.348 1.00 0.00 N ATOM 490 CA THR A 30 1.550 -2.399 11.210 1.00 0.00 C ATOM 491 C THR A 30 2.956 -1.824 11.388 1.00 0.00 C ATOM 492 O THR A 30 3.461 -1.745 12.507 1.00 0.00 O ATOM 493 CB THR A 30 0.470 -1.326 11.051 1.00 0.00 C ATOM 494 OG1 THR A 30 0.256 -0.850 12.377 1.00 0.00 O ATOM 495 CG2 THR A 30 -0.882 -1.913 10.642 1.00 0.00 C ATOM 0 H THR A 30 1.315 -2.782 13.257 1.00 0.00 H new ATOM 0 HA THR A 30 1.586 -2.983 10.291 1.00 0.00 H new ATOM 0 HB THR A 30 0.789 -0.597 10.306 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.457 -0.177 12.372 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.612 -1.110 10.543 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.780 -2.431 9.688 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.218 -2.617 11.403 1.00 0.00 H new ATOM 503 N PHE A 31 3.549 -1.436 10.268 1.00 0.00 N ATOM 504 CA PHE A 31 4.887 -0.871 10.287 1.00 0.00 C ATOM 505 C PHE A 31 5.041 0.208 9.213 1.00 0.00 C ATOM 506 O PHE A 31 4.219 0.306 8.304 1.00 0.00 O ATOM 507 CB PHE A 31 5.860 -2.013 9.988 1.00 0.00 C ATOM 508 CG PHE A 31 7.029 -2.109 10.971 1.00 0.00 C ATOM 509 CD1 PHE A 31 8.085 -1.260 10.856 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.011 -3.043 11.959 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.169 -1.348 11.768 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.096 -3.132 12.871 1.00 0.00 C ATOM 513 CZ PHE A 31 9.152 -2.282 12.756 1.00 0.00 C ATOM 0 H PHE A 31 3.127 -1.502 9.342 1.00 0.00 H new ATOM 0 HA PHE A 31 5.083 -0.413 11.256 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.312 -2.955 9.998 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.256 -1.885 8.980 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.099 -0.519 10.071 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.172 -3.717 12.050 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.007 -0.673 11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.083 -3.874 13.656 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.977 -2.349 13.450 1.00 0.00 H new ATOM 523 N GLN A 32 6.101 0.991 9.354 1.00 0.00 N ATOM 524 CA GLN A 32 6.373 2.059 8.407 1.00 0.00 C ATOM 525 C GLN A 32 7.807 1.952 7.884 1.00 0.00 C ATOM 526 O GLN A 32 8.702 1.508 8.601 1.00 0.00 O ATOM 527 CB GLN A 32 6.122 3.430 9.040 1.00 0.00 C ATOM 528 CG GLN A 32 7.110 4.469 8.507 1.00 0.00 C ATOM 529 CD GLN A 32 6.657 5.887 8.860 1.00 0.00 C ATOM 530 OE1 GLN A 32 6.839 6.367 9.967 1.00 0.00 O ATOM 531 NE2 GLN A 32 6.059 6.529 7.860 1.00 0.00 N ATOM 0 H GLN A 32 6.781 0.907 10.109 1.00 0.00 H new ATOM 0 HA GLN A 32 5.690 1.953 7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.102 3.751 8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.215 3.357 10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.099 4.284 8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.199 4.370 7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.939 6.068 6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.721 7.482 7.995 1.00 0.00 H new ATOM 540 N ALA A 33 7.980 2.366 6.637 1.00 0.00 N ATOM 541 CA ALA A 33 9.290 2.321 6.009 1.00 0.00 C ATOM 542 C ALA A 33 9.534 3.631 5.256 1.00 0.00 C ATOM 543 O ALA A 33 8.608 4.413 5.048 1.00 0.00 O ATOM 544 CB ALA A 33 9.377 1.098 5.094 1.00 0.00 C ATOM 0 H ALA A 33 7.235 2.734 6.045 1.00 0.00 H new ATOM 0 HA ALA A 33 10.073 2.221 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.360 1.065 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.225 0.193 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.608 1.164 4.324 1.00 0.00 H new ATOM 550 N ALA A 34 10.786 3.829 4.869 1.00 0.00 N ATOM 551 CA ALA A 34 11.163 5.030 4.144 1.00 0.00 C ATOM 552 C ALA A 34 11.828 4.635 2.823 1.00 0.00 C ATOM 553 O ALA A 34 12.832 5.227 2.428 1.00 0.00 O ATOM 554 CB ALA A 34 12.075 5.891 5.021 1.00 0.00 C ATOM 0 H ALA A 34 11.552 3.178 5.044 1.00 0.00 H new ATOM 0 HA ALA A 34 10.283 5.627 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.358 6.792 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.547 6.169 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.971 5.326 5.278 1.00 0.00 H new ATOM 560 N ASN A 35 11.242 3.639 2.177 1.00 0.00 N ATOM 561 CA ASN A 35 11.764 3.158 0.909 1.00 0.00 C ATOM 562 C ASN A 35 10.974 1.924 0.471 1.00 0.00 C ATOM 563 O ASN A 35 10.101 1.451 1.198 1.00 0.00 O ATOM 564 CB ASN A 35 13.235 2.757 1.037 1.00 0.00 C ATOM 565 CG ASN A 35 14.155 3.907 0.623 1.00 0.00 C ATOM 566 OD1 ASN A 35 14.053 4.459 -0.460 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.057 4.236 1.544 1.00 0.00 N ATOM 0 H ASN A 35 10.410 3.151 2.508 1.00 0.00 H new ATOM 0 HA ASN A 35 11.671 3.962 0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.449 2.468 2.066 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.434 1.885 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.718 4.992 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.088 3.732 2.431 1.00 0.00 H new ATOM 574 N GLY A 36 11.308 1.437 -0.715 1.00 0.00 N ATOM 575 CA GLY A 36 10.640 0.266 -1.258 1.00 0.00 C ATOM 576 C GLY A 36 11.275 -1.022 -0.731 1.00 0.00 C ATOM 577 O GLY A 36 10.571 -1.943 -0.321 1.00 0.00 O ATOM 0 H GLY A 36 12.032 1.832 -1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.583 0.290 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.695 0.284 -2.346 1.00 0.00 H new ATOM 581 N LEU A 37 12.600 -1.045 -0.760 1.00 0.00 N ATOM 582 CA LEU A 37 13.338 -2.205 -0.290 1.00 0.00 C ATOM 583 C LEU A 37 13.064 -2.409 1.201 1.00 0.00 C ATOM 584 O LEU A 37 12.628 -3.483 1.615 1.00 0.00 O ATOM 585 CB LEU A 37 14.824 -2.068 -0.629 1.00 0.00 C ATOM 586 CG LEU A 37 15.452 -3.244 -1.378 1.00 0.00 C ATOM 587 CD1 LEU A 37 16.760 -2.828 -2.054 1.00 0.00 C ATOM 588 CD2 LEU A 37 15.644 -4.446 -0.450 1.00 0.00 C ATOM 0 H LEU A 37 13.181 -0.279 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 37 12.999 -3.105 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.958 -1.168 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.376 -1.918 0.299 1.00 0.00 H new ATOM 0 HG LEU A 37 14.765 -3.552 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 37 17.186 -3.683 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.563 -2.026 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.464 -2.478 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.092 -5.268 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.299 -4.168 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.677 -4.759 -0.056 1.00 0.00 H new ATOM 600 N GLN A 38 13.331 -1.362 1.968 1.00 0.00 N ATOM 601 CA GLN A 38 13.118 -1.413 3.404 1.00 0.00 C ATOM 602 C GLN A 38 11.710 -1.924 3.715 1.00 0.00 C ATOM 603 O GLN A 38 11.454 -2.424 4.809 1.00 0.00 O ATOM 604 CB GLN A 38 13.358 -0.043 4.043 1.00 0.00 C ATOM 605 CG GLN A 38 14.576 -0.076 4.969 1.00 0.00 C ATOM 606 CD GLN A 38 14.453 0.976 6.073 1.00 0.00 C ATOM 607 OE1 GLN A 38 13.499 1.006 6.834 1.00 0.00 O ATOM 608 NE2 GLN A 38 15.468 1.834 6.119 1.00 0.00 N ATOM 0 H GLN A 38 13.693 -0.473 1.622 1.00 0.00 H new ATOM 0 HA GLN A 38 13.838 -2.109 3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.509 0.704 3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.476 0.259 4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.672 -1.066 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.482 0.103 4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.235 1.753 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.479 2.573 6.821 1.00 0.00 H new ATOM 617 N ALA A 39 10.833 -1.780 2.732 1.00 0.00 N ATOM 618 CA ALA A 39 9.457 -2.221 2.887 1.00 0.00 C ATOM 619 C ALA A 39 9.365 -3.714 2.566 1.00 0.00 C ATOM 620 O ALA A 39 8.542 -4.426 3.140 1.00 0.00 O ATOM 621 CB ALA A 39 8.547 -1.376 1.993 1.00 0.00 C ATOM 0 H ALA A 39 11.048 -1.364 1.826 1.00 0.00 H new ATOM 0 HA ALA A 39 9.124 -2.084 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.515 -1.706 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.627 -0.327 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.850 -1.491 0.952 1.00 0.00 H new ATOM 627 N LEU A 40 10.221 -4.144 1.651 1.00 0.00 N ATOM 628 CA LEU A 40 10.247 -5.540 1.248 1.00 0.00 C ATOM 629 C LEU A 40 10.536 -6.414 2.469 1.00 0.00 C ATOM 630 O LEU A 40 9.916 -7.461 2.649 1.00 0.00 O ATOM 631 CB LEU A 40 11.233 -5.747 0.096 1.00 0.00 C ATOM 632 CG LEU A 40 10.702 -5.440 -1.305 1.00 0.00 C ATOM 633 CD1 LEU A 40 11.746 -5.774 -2.373 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.374 -6.159 -1.557 1.00 0.00 C ATOM 0 H LEU A 40 10.902 -3.550 1.177 1.00 0.00 H new ATOM 0 HA LEU A 40 9.274 -5.843 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.108 -5.122 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.572 -6.783 0.116 1.00 0.00 H new ATOM 0 HG LEU A 40 10.507 -4.370 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.343 -5.546 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.644 -5.180 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.996 -6.834 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.018 -5.924 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.520 -7.235 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.637 -5.830 -0.824 1.00 0.00 H new ATOM 646 N ASP A 41 11.479 -5.953 3.278 1.00 0.00 N ATOM 647 CA ASP A 41 11.858 -6.680 4.477 1.00 0.00 C ATOM 648 C ASP A 41 10.728 -6.585 5.504 1.00 0.00 C ATOM 649 O ASP A 41 10.209 -7.604 5.958 1.00 0.00 O ATOM 650 CB ASP A 41 13.120 -6.085 5.106 1.00 0.00 C ATOM 651 CG ASP A 41 13.640 -6.828 6.339 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.151 -7.953 6.150 1.00 0.00 O ATOM 653 OD2 ASP A 41 13.514 -6.254 7.442 1.00 0.00 O ATOM 0 H ASP A 41 11.992 -5.084 3.126 1.00 0.00 H new ATOM 0 HA ASP A 41 12.049 -7.716 4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.908 -6.065 4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.917 -5.050 5.383 1.00 0.00 H new ATOM 658 N ILE A 42 10.380 -5.352 5.842 1.00 0.00 N ATOM 659 CA ILE A 42 9.321 -5.110 6.807 1.00 0.00 C ATOM 660 C ILE A 42 8.027 -5.759 6.310 1.00 0.00 C ATOM 661 O ILE A 42 7.131 -6.050 7.101 1.00 0.00 O ATOM 662 CB ILE A 42 9.188 -3.614 7.093 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.420 -3.085 7.831 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.894 -3.313 7.852 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.224 -3.156 9.347 1.00 0.00 C ATOM 0 H ILE A 42 10.813 -4.509 5.464 1.00 0.00 H new ATOM 0 HA ILE A 42 9.564 -5.573 7.764 1.00 0.00 H new ATOM 0 HB ILE A 42 9.132 -3.089 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.296 -3.667 7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.612 -2.054 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.825 -2.242 8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.039 -3.631 7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.895 -3.851 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.114 -2.774 9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.361 -2.553 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.057 -4.191 9.644 1.00 0.00 H new ATOM 677 N VAL A 43 7.970 -5.965 5.002 1.00 0.00 N ATOM 678 CA VAL A 43 6.801 -6.573 4.391 1.00 0.00 C ATOM 679 C VAL A 43 6.636 -7.999 4.922 1.00 0.00 C ATOM 680 O VAL A 43 5.593 -8.342 5.476 1.00 0.00 O ATOM 681 CB VAL A 43 6.916 -6.513 2.867 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.338 -7.774 2.222 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.239 -5.256 2.315 1.00 0.00 C ATOM 0 H VAL A 43 8.715 -5.721 4.349 1.00 0.00 H new ATOM 0 HA VAL A 43 5.900 -6.020 4.658 1.00 0.00 H new ATOM 0 HB VAL A 43 7.975 -6.463 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.433 -7.705 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.883 -8.648 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.285 -7.869 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.335 -5.238 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.183 -5.263 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.716 -4.371 2.736 1.00 0.00 H new ATOM 693 N THR A 44 7.682 -8.791 4.733 1.00 0.00 N ATOM 694 CA THR A 44 7.667 -10.171 5.186 1.00 0.00 C ATOM 695 C THR A 44 7.724 -10.232 6.714 1.00 0.00 C ATOM 696 O THR A 44 7.137 -11.123 7.326 1.00 0.00 O ATOM 697 CB THR A 44 8.823 -10.905 4.505 1.00 0.00 C ATOM 698 OG1 THR A 44 8.628 -10.649 3.117 1.00 0.00 O ATOM 699 CG2 THR A 44 8.703 -12.426 4.623 1.00 0.00 C ATOM 0 H THR A 44 8.545 -8.503 4.272 1.00 0.00 H new ATOM 0 HA THR A 44 6.738 -10.668 4.907 1.00 0.00 H new ATOM 0 HB THR A 44 9.766 -10.580 4.944 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.336 -11.088 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.549 -12.898 4.123 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.699 -12.710 5.675 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.775 -12.755 4.155 1.00 0.00 H new ATOM 707 N LYS A 45 8.437 -9.273 7.286 1.00 0.00 N ATOM 708 CA LYS A 45 8.579 -9.207 8.730 1.00 0.00 C ATOM 709 C LYS A 45 7.192 -9.144 9.372 1.00 0.00 C ATOM 710 O LYS A 45 6.883 -9.929 10.268 1.00 0.00 O ATOM 711 CB LYS A 45 9.493 -8.045 9.126 1.00 0.00 C ATOM 712 CG LYS A 45 10.523 -8.487 10.167 1.00 0.00 C ATOM 713 CD LYS A 45 10.437 -7.622 11.426 1.00 0.00 C ATOM 714 CE LYS A 45 11.832 -7.284 11.955 1.00 0.00 C ATOM 715 NZ LYS A 45 12.583 -8.521 12.263 1.00 0.00 N ATOM 0 H LYS A 45 8.922 -8.535 6.775 1.00 0.00 H new ATOM 0 HA LYS A 45 9.065 -10.107 9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.005 -7.663 8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.894 -7.227 9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.356 -9.532 10.428 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.525 -8.420 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.896 -6.702 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.870 -8.147 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.375 -6.696 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.748 -6.669 12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.455 -8.279 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.997 -9.145 12.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.826 -9.009 11.377 1.00 0.00 H new ATOM 729 N GLU A 46 6.393 -8.204 8.890 1.00 0.00 N ATOM 730 CA GLU A 46 5.046 -8.029 9.405 1.00 0.00 C ATOM 731 C GLU A 46 4.039 -8.764 8.519 1.00 0.00 C ATOM 732 O GLU A 46 2.840 -8.756 8.796 1.00 0.00 O ATOM 733 CB GLU A 46 4.692 -6.545 9.523 1.00 0.00 C ATOM 734 CG GLU A 46 5.270 -5.945 10.806 1.00 0.00 C ATOM 735 CD GLU A 46 6.782 -6.163 10.882 1.00 0.00 C ATOM 736 OE1 GLU A 46 7.481 -5.602 10.011 1.00 0.00 O ATOM 737 OE2 GLU A 46 7.206 -6.887 11.809 1.00 0.00 O ATOM 0 H GLU A 46 6.653 -7.555 8.147 1.00 0.00 H new ATOM 0 HA GLU A 46 5.002 -8.460 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.078 -6.005 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.609 -6.424 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.051 -4.878 10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.790 -6.400 11.672 1.00 0.00 H new ATOM 744 N ARG A 47 4.562 -9.383 7.470 1.00 0.00 N ATOM 745 CA ARG A 47 3.724 -10.121 6.541 1.00 0.00 C ATOM 746 C ARG A 47 2.286 -9.601 6.595 1.00 0.00 C ATOM 747 O ARG A 47 1.374 -10.326 6.989 1.00 0.00 O ATOM 748 CB ARG A 47 3.730 -11.617 6.863 1.00 0.00 C ATOM 749 CG ARG A 47 3.320 -11.867 8.315 1.00 0.00 C ATOM 750 CD ARG A 47 2.123 -12.818 8.391 1.00 0.00 C ATOM 751 NE ARG A 47 2.511 -14.159 7.902 1.00 0.00 N ATOM 752 CZ ARG A 47 1.707 -15.231 7.932 1.00 0.00 C ATOM 753 NH1 ARG A 47 0.467 -15.125 8.428 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.144 -16.409 7.466 1.00 0.00 N ATOM 0 H ARG A 47 5.556 -9.388 7.243 1.00 0.00 H new ATOM 0 HA ARG A 47 4.130 -9.974 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.047 -12.139 6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.725 -12.027 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.160 -12.289 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.068 -10.921 8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.766 -12.886 9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.299 -12.428 7.793 1.00 0.00 H new ATOM 0 HE ARG A 47 3.449 -14.275 7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.135 -14.228 8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.145 -15.941 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.088 -16.490 7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.532 -17.225 7.489 1.00 0.00 H new ATOM 768 N PRO A 48 2.124 -8.315 6.183 1.00 0.00 N ATOM 769 CA PRO A 48 0.813 -7.689 6.181 1.00 0.00 C ATOM 770 C PRO A 48 -0.039 -8.205 5.020 1.00 0.00 C ATOM 771 O PRO A 48 0.490 -8.742 4.048 1.00 0.00 O ATOM 772 CB PRO A 48 1.089 -6.196 6.098 1.00 0.00 C ATOM 773 CG PRO A 48 2.516 -6.064 5.590 1.00 0.00 C ATOM 774 CD PRO A 48 3.181 -7.426 5.710 1.00 0.00 C ATOM 0 HA PRO A 48 0.234 -7.924 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.387 -5.706 5.423 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.976 -5.723 7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.523 -5.726 4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.061 -5.320 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.578 -7.758 4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.017 -7.398 6.409 1.00 0.00 H new ATOM 782 N ASP A 49 -1.344 -8.023 5.158 1.00 0.00 N ATOM 783 CA ASP A 49 -2.274 -8.463 4.133 1.00 0.00 C ATOM 784 C ASP A 49 -2.573 -7.298 3.187 1.00 0.00 C ATOM 785 O ASP A 49 -3.388 -7.427 2.275 1.00 0.00 O ATOM 786 CB ASP A 49 -3.597 -8.923 4.749 1.00 0.00 C ATOM 787 CG ASP A 49 -3.611 -10.372 5.242 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.601 -10.770 5.861 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.632 -11.047 4.989 1.00 0.00 O ATOM 0 H ASP A 49 -1.779 -7.576 5.965 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.816 -9.296 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.838 -8.268 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.388 -8.799 4.009 1.00 0.00 H new ATOM 794 N LEU A 50 -1.898 -6.186 3.438 1.00 0.00 N ATOM 795 CA LEU A 50 -2.081 -4.999 2.621 1.00 0.00 C ATOM 796 C LEU A 50 -0.940 -4.016 2.893 1.00 0.00 C ATOM 797 O LEU A 50 -0.535 -3.832 4.040 1.00 0.00 O ATOM 798 CB LEU A 50 -3.472 -4.403 2.846 1.00 0.00 C ATOM 799 CG LEU A 50 -4.331 -4.212 1.593 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.726 -3.152 0.671 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.550 -5.543 0.871 1.00 0.00 C ATOM 0 H LEU A 50 -1.223 -6.082 4.196 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.036 -5.255 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.014 -5.047 3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.356 -3.435 3.334 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.311 -3.848 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.355 -3.035 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.664 -2.201 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.727 -3.463 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.163 -5.380 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.587 -5.959 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.056 -6.240 1.539 1.00 0.00 H new ATOM 813 N VAL A 51 -0.453 -3.412 1.819 1.00 0.00 N ATOM 814 CA VAL A 51 0.633 -2.454 1.927 1.00 0.00 C ATOM 815 C VAL A 51 0.322 -1.235 1.056 1.00 0.00 C ATOM 816 O VAL A 51 -0.259 -1.369 -0.020 1.00 0.00 O ATOM 817 CB VAL A 51 1.960 -3.123 1.565 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.133 -2.161 1.765 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.163 -4.409 2.370 1.00 0.00 C ATOM 0 H VAL A 51 -0.791 -3.568 0.869 1.00 0.00 H new ATOM 0 HA VAL A 51 0.730 -2.103 2.954 1.00 0.00 H new ATOM 0 HB VAL A 51 1.923 -3.390 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.064 -2.662 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.999 -1.286 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.173 -1.848 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.114 -4.865 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.169 -4.175 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.351 -5.104 2.156 1.00 0.00 H new ATOM 829 N LEU A 52 0.721 -0.074 1.554 1.00 0.00 N ATOM 830 CA LEU A 52 0.491 1.167 0.834 1.00 0.00 C ATOM 831 C LEU A 52 1.836 1.827 0.522 1.00 0.00 C ATOM 832 O LEU A 52 2.534 2.280 1.428 1.00 0.00 O ATOM 833 CB LEU A 52 -0.470 2.068 1.612 1.00 0.00 C ATOM 834 CG LEU A 52 -0.085 3.547 1.695 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.326 4.440 1.649 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.773 3.822 2.931 1.00 0.00 C ATOM 0 H LEU A 52 1.202 0.034 2.447 1.00 0.00 H new ATOM 0 HA LEU A 52 0.003 0.969 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.456 1.995 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.560 1.679 2.626 1.00 0.00 H new ATOM 0 HG LEU A 52 0.520 3.791 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.024 5.486 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.862 4.270 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.978 4.201 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.033 4.880 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.214 3.556 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.684 3.226 2.881 1.00 0.00 H new ATOM 848 N LEU A 53 2.159 1.861 -0.762 1.00 0.00 N ATOM 849 CA LEU A 53 3.407 2.457 -1.205 1.00 0.00 C ATOM 850 C LEU A 53 3.108 3.568 -2.214 1.00 0.00 C ATOM 851 O LEU A 53 2.206 3.434 -3.040 1.00 0.00 O ATOM 852 CB LEU A 53 4.356 1.382 -1.738 1.00 0.00 C ATOM 853 CG LEU A 53 5.670 1.885 -2.339 1.00 0.00 C ATOM 854 CD1 LEU A 53 5.453 2.434 -3.751 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.336 2.912 -1.421 1.00 0.00 C ATOM 0 H LEU A 53 1.577 1.485 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 53 3.926 2.919 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.591 0.697 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.829 0.805 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 53 6.352 1.039 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.403 2.785 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.056 1.646 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.746 3.263 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.268 3.253 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.668 3.762 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.547 2.454 -0.455 1.00 0.00 H new ATOM 867 N ASP A 54 3.881 4.639 -2.114 1.00 0.00 N ATOM 868 CA ASP A 54 3.709 5.772 -3.008 1.00 0.00 C ATOM 869 C ASP A 54 4.789 5.730 -4.091 1.00 0.00 C ATOM 870 O ASP A 54 5.909 5.286 -3.839 1.00 0.00 O ATOM 871 CB ASP A 54 3.848 7.095 -2.252 1.00 0.00 C ATOM 872 CG ASP A 54 4.400 8.257 -3.080 1.00 0.00 C ATOM 873 OD1 ASP A 54 3.935 8.405 -4.231 1.00 0.00 O ATOM 874 OD2 ASP A 54 5.274 8.972 -2.544 1.00 0.00 O ATOM 0 H ASP A 54 4.628 4.747 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 54 2.712 5.709 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.870 7.378 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.500 6.939 -1.393 1.00 0.00 H new ATOM 879 N MET A 55 4.416 6.198 -5.272 1.00 0.00 N ATOM 880 CA MET A 55 5.338 6.219 -6.395 1.00 0.00 C ATOM 881 C MET A 55 6.542 7.116 -6.098 1.00 0.00 C ATOM 882 O MET A 55 7.674 6.640 -6.029 1.00 0.00 O ATOM 883 CB MET A 55 4.614 6.731 -7.641 1.00 0.00 C ATOM 884 CG MET A 55 3.312 5.962 -7.874 1.00 0.00 C ATOM 885 SD MET A 55 3.614 4.206 -7.772 1.00 0.00 S ATOM 886 CE MET A 55 3.314 3.941 -6.032 1.00 0.00 C ATOM 0 H MET A 55 3.487 6.566 -5.476 1.00 0.00 H new ATOM 0 HA MET A 55 5.698 5.204 -6.565 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.398 7.794 -7.529 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.262 6.627 -8.511 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.569 6.255 -7.132 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.902 6.213 -8.852 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.805 2.987 -5.892 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.264 3.928 -5.497 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.690 4.746 -5.644 1.00 0.00 H new ATOM 896 N LYS A 56 6.256 8.399 -5.930 1.00 0.00 N ATOM 897 CA LYS A 56 7.300 9.367 -5.642 1.00 0.00 C ATOM 898 C LYS A 56 8.049 8.942 -4.377 1.00 0.00 C ATOM 899 O LYS A 56 7.438 8.480 -3.415 1.00 0.00 O ATOM 900 CB LYS A 56 6.716 10.779 -5.566 1.00 0.00 C ATOM 901 CG LYS A 56 7.576 11.772 -6.351 1.00 0.00 C ATOM 902 CD LYS A 56 7.139 13.212 -6.078 1.00 0.00 C ATOM 903 CE LYS A 56 8.003 14.205 -6.857 1.00 0.00 C ATOM 904 NZ LYS A 56 7.935 15.548 -6.239 1.00 0.00 N ATOM 0 H LYS A 56 5.316 8.790 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 56 8.029 9.392 -6.452 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.701 10.778 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.650 11.094 -4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.623 11.648 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.499 11.561 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.093 13.337 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.211 13.421 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.037 13.859 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.664 14.257 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.527 16.210 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.950 15.882 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.280 15.497 -5.259 1.00 0.00 H new ATOM 918 N ILE A 57 9.362 9.114 -4.420 1.00 0.00 N ATOM 919 CA ILE A 57 10.201 8.754 -3.289 1.00 0.00 C ATOM 920 C ILE A 57 11.613 9.297 -3.514 1.00 0.00 C ATOM 921 O ILE A 57 12.057 9.431 -4.653 1.00 0.00 O ATOM 922 CB ILE A 57 10.154 7.244 -3.046 1.00 0.00 C ATOM 923 CG1 ILE A 57 9.332 6.914 -1.799 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.565 6.656 -2.975 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.445 5.690 -2.035 1.00 0.00 C ATOM 0 H ILE A 57 9.866 9.498 -5.220 1.00 0.00 H new ATOM 0 HA ILE A 57 9.825 9.212 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 57 9.653 6.777 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.000 6.727 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 57 8.713 7.770 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.503 5.582 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.085 6.843 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 57 12.114 7.124 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.871 5.477 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.762 5.889 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.069 4.830 -2.280 1.00 0.00 H new ATOM 937 N PRO A 58 12.299 9.603 -2.380 1.00 0.00 N ATOM 938 CA PRO A 58 13.652 10.129 -2.442 1.00 0.00 C ATOM 939 C PRO A 58 14.653 9.025 -2.790 1.00 0.00 C ATOM 940 O PRO A 58 14.700 7.992 -2.125 1.00 0.00 O ATOM 941 CB PRO A 58 13.898 10.744 -1.074 1.00 0.00 C ATOM 942 CG PRO A 58 12.857 10.135 -0.149 1.00 0.00 C ATOM 943 CD PRO A 58 11.805 9.457 -1.013 1.00 0.00 C ATOM 0 HA PRO A 58 13.779 10.874 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.907 10.526 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.801 11.829 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.320 9.414 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.401 10.906 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.688 8.407 -0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.829 9.928 -0.892 1.00 0.00 H new ATOM 951 N GLY A 59 15.429 9.282 -3.833 1.00 0.00 N ATOM 952 CA GLY A 59 16.426 8.324 -4.278 1.00 0.00 C ATOM 953 C GLY A 59 15.770 7.144 -4.998 1.00 0.00 C ATOM 954 O GLY A 59 15.364 6.173 -4.362 1.00 0.00 O ATOM 0 H GLY A 59 15.387 10.140 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.134 8.814 -4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.995 7.961 -3.422 1.00 0.00 H new ATOM 958 N MET A 60 15.687 7.267 -6.314 1.00 0.00 N ATOM 959 CA MET A 60 15.087 6.223 -7.127 1.00 0.00 C ATOM 960 C MET A 60 13.616 6.020 -6.761 1.00 0.00 C ATOM 961 O MET A 60 13.304 5.546 -5.669 1.00 0.00 O ATOM 962 CB MET A 60 15.850 4.913 -6.921 1.00 0.00 C ATOM 963 CG MET A 60 16.177 4.252 -8.261 1.00 0.00 C ATOM 964 SD MET A 60 16.700 2.566 -7.999 1.00 0.00 S ATOM 965 CE MET A 60 15.130 1.812 -7.606 1.00 0.00 C ATOM 0 H MET A 60 16.025 8.074 -6.838 1.00 0.00 H new ATOM 0 HA MET A 60 15.143 6.526 -8.173 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.772 5.107 -6.373 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.254 4.233 -6.312 1.00 0.00 H new ATOM 0 HG2 MET A 60 15.301 4.273 -8.909 1.00 0.00 H new ATOM 0 HG3 MET A 60 16.963 4.810 -8.769 1.00 0.00 H new ATOM 0 HE1 MET A 60 15.124 0.780 -7.958 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.978 1.829 -6.527 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.328 2.366 -8.094 1.00 0.00 H new ATOM 975 N ASP A 61 12.750 6.388 -7.693 1.00 0.00 N ATOM 976 CA ASP A 61 11.319 6.252 -7.482 1.00 0.00 C ATOM 977 C ASP A 61 10.966 4.770 -7.345 1.00 0.00 C ATOM 978 O ASP A 61 11.841 3.909 -7.434 1.00 0.00 O ATOM 979 CB ASP A 61 10.531 6.818 -8.665 1.00 0.00 C ATOM 980 CG ASP A 61 11.202 7.987 -9.389 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.077 7.704 -10.236 1.00 0.00 O ATOM 982 OD2 ASP A 61 10.825 9.138 -9.079 1.00 0.00 O ATOM 0 H ASP A 61 13.012 6.781 -8.597 1.00 0.00 H new ATOM 0 HA ASP A 61 11.058 6.803 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.358 6.017 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.554 7.144 -8.309 1.00 0.00 H new ATOM 987 N GLY A 62 9.684 4.516 -7.132 1.00 0.00 N ATOM 988 CA GLY A 62 9.205 3.153 -6.982 1.00 0.00 C ATOM 989 C GLY A 62 8.926 2.517 -8.346 1.00 0.00 C ATOM 990 O GLY A 62 8.639 1.324 -8.431 1.00 0.00 O ATOM 0 H GLY A 62 8.961 5.232 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.946 2.560 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.296 3.147 -6.381 1.00 0.00 H new ATOM 994 N ILE A 63 9.020 3.342 -9.378 1.00 0.00 N ATOM 995 CA ILE A 63 8.781 2.875 -10.733 1.00 0.00 C ATOM 996 C ILE A 63 9.505 1.544 -10.945 1.00 0.00 C ATOM 997 O ILE A 63 8.945 0.613 -11.520 1.00 0.00 O ATOM 998 CB ILE A 63 9.167 3.953 -11.747 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.363 5.235 -11.518 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.025 3.435 -13.180 1.00 0.00 C ATOM 1001 CD1 ILE A 63 7.120 5.269 -12.410 1.00 0.00 C ATOM 0 H ILE A 63 9.258 4.331 -9.303 1.00 0.00 H new ATOM 0 HA ILE A 63 7.719 2.688 -10.889 1.00 0.00 H new ATOM 0 HB ILE A 63 10.218 4.201 -11.598 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.066 5.300 -10.471 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.988 6.103 -11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.306 4.221 -13.881 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.677 2.573 -13.322 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.991 3.141 -13.360 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.566 6.190 -12.228 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.422 5.228 -13.457 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.485 4.413 -12.182 1.00 0.00 H new ATOM 1013 N GLU A 64 10.741 1.497 -10.467 1.00 0.00 N ATOM 1014 CA GLU A 64 11.548 0.296 -10.597 1.00 0.00 C ATOM 1015 C GLU A 64 11.304 -0.638 -9.410 1.00 0.00 C ATOM 1016 O GLU A 64 11.063 -1.830 -9.592 1.00 0.00 O ATOM 1017 CB GLU A 64 13.032 0.644 -10.725 1.00 0.00 C ATOM 1018 CG GLU A 64 13.290 1.495 -11.970 1.00 0.00 C ATOM 1019 CD GLU A 64 13.299 0.630 -13.233 1.00 0.00 C ATOM 1020 OE1 GLU A 64 14.217 -0.211 -13.338 1.00 0.00 O ATOM 1021 OE2 GLU A 64 12.388 0.831 -14.064 1.00 0.00 O ATOM 0 H GLU A 64 11.202 2.271 -9.989 1.00 0.00 H new ATOM 0 HA GLU A 64 11.250 -0.222 -11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.361 1.184 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.621 -0.272 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.521 2.263 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.245 2.011 -11.871 1.00 0.00 H new ATOM 1028 N ILE A 65 11.375 -0.060 -8.219 1.00 0.00 N ATOM 1029 CA ILE A 65 11.165 -0.826 -7.002 1.00 0.00 C ATOM 1030 C ILE A 65 9.915 -1.694 -7.160 1.00 0.00 C ATOM 1031 O ILE A 65 10.004 -2.921 -7.164 1.00 0.00 O ATOM 1032 CB ILE A 65 11.119 0.102 -5.787 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.328 1.040 -5.767 1.00 0.00 C ATOM 1034 CG2 ILE A 65 10.995 -0.699 -4.489 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.451 1.747 -4.416 1.00 0.00 C ATOM 0 H ILE A 65 11.575 0.929 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 65 12.003 -1.501 -6.828 1.00 0.00 H new ATOM 0 HB ILE A 65 10.228 0.725 -5.868 1.00 0.00 H new ATOM 0 HG12 ILE A 65 13.236 0.472 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.232 1.780 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.964 -0.015 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.079 -1.290 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.853 -1.364 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.318 2.407 -4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.551 2.333 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.572 1.005 -3.627 1.00 0.00 H new ATOM 1047 N LEU A 66 8.780 -1.024 -7.287 1.00 0.00 N ATOM 1048 CA LEU A 66 7.514 -1.719 -7.445 1.00 0.00 C ATOM 1049 C LEU A 66 7.651 -2.777 -8.542 1.00 0.00 C ATOM 1050 O LEU A 66 7.147 -3.890 -8.403 1.00 0.00 O ATOM 1051 CB LEU A 66 6.381 -0.721 -7.692 1.00 0.00 C ATOM 1052 CG LEU A 66 5.772 -0.076 -6.446 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.596 -1.104 -5.327 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.599 1.129 -5.992 1.00 0.00 C ATOM 0 H LEU A 66 8.710 -0.006 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 66 7.251 -2.243 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.756 0.071 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.587 -1.231 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 66 4.779 0.293 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.161 -0.619 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.935 -1.901 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.566 -1.525 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.144 1.569 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.614 0.807 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.629 1.871 -6.790 1.00 0.00 H new ATOM 1066 N LYS A 67 8.336 -2.392 -9.609 1.00 0.00 N ATOM 1067 CA LYS A 67 8.546 -3.293 -10.729 1.00 0.00 C ATOM 1068 C LYS A 67 9.309 -4.529 -10.248 1.00 0.00 C ATOM 1069 O LYS A 67 8.788 -5.642 -10.299 1.00 0.00 O ATOM 1070 CB LYS A 67 9.230 -2.560 -11.885 1.00 0.00 C ATOM 1071 CG LYS A 67 8.379 -2.624 -13.155 1.00 0.00 C ATOM 1072 CD LYS A 67 9.260 -2.732 -14.401 1.00 0.00 C ATOM 1073 CE LYS A 67 9.422 -1.370 -15.078 1.00 0.00 C ATOM 1074 NZ LYS A 67 9.786 -1.539 -16.503 1.00 0.00 N ATOM 0 H LYS A 67 8.753 -1.468 -9.721 1.00 0.00 H new ATOM 0 HA LYS A 67 7.591 -3.641 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.401 -1.519 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.207 -3.004 -12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.708 -3.481 -13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.754 -1.734 -13.223 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.239 -3.124 -14.125 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.819 -3.440 -15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.493 -0.805 -14.998 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.191 -0.792 -14.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.892 -0.605 -16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.684 -2.059 -16.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.038 -2.072 -16.991 1.00 0.00 H new ATOM 1088 N ARG A 68 10.529 -4.291 -9.791 1.00 0.00 N ATOM 1089 CA ARG A 68 11.369 -5.371 -9.301 1.00 0.00 C ATOM 1090 C ARG A 68 10.647 -6.145 -8.195 1.00 0.00 C ATOM 1091 O ARG A 68 10.771 -7.365 -8.103 1.00 0.00 O ATOM 1092 CB ARG A 68 12.694 -4.836 -8.756 1.00 0.00 C ATOM 1093 CG ARG A 68 13.787 -4.888 -9.826 1.00 0.00 C ATOM 1094 CD ARG A 68 15.051 -4.166 -9.354 1.00 0.00 C ATOM 1095 NE ARG A 68 15.785 -5.011 -8.386 1.00 0.00 N ATOM 1096 CZ ARG A 68 16.729 -4.552 -7.553 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.058 -3.253 -7.564 1.00 0.00 N ATOM 1098 NH2 ARG A 68 17.343 -5.392 -6.708 1.00 0.00 N ATOM 0 H ARG A 68 10.957 -3.366 -9.750 1.00 0.00 H new ATOM 0 HA ARG A 68 11.576 -6.035 -10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.563 -3.809 -8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.999 -5.424 -7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.023 -5.926 -10.060 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.423 -4.429 -10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.690 -3.938 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.785 -3.215 -8.891 1.00 0.00 H new ATOM 0 HE ARG A 68 15.558 -6.005 -8.351 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.590 -2.614 -8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.777 -2.903 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.092 -6.381 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.062 -5.043 -6.074 1.00 0.00 H new ATOM 1112 N MET A 69 9.908 -5.402 -7.384 1.00 0.00 N ATOM 1113 CA MET A 69 9.166 -6.003 -6.288 1.00 0.00 C ATOM 1114 C MET A 69 8.268 -7.136 -6.790 1.00 0.00 C ATOM 1115 O MET A 69 8.398 -8.277 -6.349 1.00 0.00 O ATOM 1116 CB MET A 69 8.308 -4.935 -5.607 1.00 0.00 C ATOM 1117 CG MET A 69 8.727 -4.744 -4.148 1.00 0.00 C ATOM 1118 SD MET A 69 8.676 -3.012 -3.720 1.00 0.00 S ATOM 1119 CE MET A 69 7.034 -2.911 -3.028 1.00 0.00 C ATOM 0 H MET A 69 9.807 -4.390 -7.464 1.00 0.00 H new ATOM 0 HA MET A 69 9.879 -6.418 -5.576 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.403 -3.991 -6.143 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.258 -5.223 -5.653 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.063 -5.309 -3.493 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.733 -5.135 -3.996 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.776 -1.866 -2.855 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.319 -3.351 -3.723 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.003 -3.454 -2.083 1.00 0.00 H new ATOM 1129 N LYS A 70 7.378 -6.781 -7.705 1.00 0.00 N ATOM 1130 CA LYS A 70 6.459 -7.754 -8.271 1.00 0.00 C ATOM 1131 C LYS A 70 7.247 -8.774 -9.095 1.00 0.00 C ATOM 1132 O LYS A 70 6.992 -9.975 -9.011 1.00 0.00 O ATOM 1133 CB LYS A 70 5.353 -7.050 -9.060 1.00 0.00 C ATOM 1134 CG LYS A 70 5.774 -6.825 -10.514 1.00 0.00 C ATOM 1135 CD LYS A 70 5.757 -8.139 -11.298 1.00 0.00 C ATOM 1136 CE LYS A 70 4.828 -8.042 -12.510 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.544 -8.434 -13.745 1.00 0.00 N ATOM 0 H LYS A 70 7.274 -5.834 -8.068 1.00 0.00 H new ATOM 0 HA LYS A 70 5.953 -8.306 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.443 -7.649 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.121 -6.093 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.102 -6.108 -10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.774 -6.392 -10.544 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.767 -8.383 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.429 -8.950 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.962 -8.688 -12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.453 -7.023 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.899 -8.362 -14.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.356 -7.801 -13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.880 -9.414 -13.655 1.00 0.00 H new ATOM 1151 N VAL A 71 8.189 -8.260 -9.871 1.00 0.00 N ATOM 1152 CA VAL A 71 9.016 -9.112 -10.709 1.00 0.00 C ATOM 1153 C VAL A 71 9.755 -10.122 -9.829 1.00 0.00 C ATOM 1154 O VAL A 71 10.083 -11.219 -10.279 1.00 0.00 O ATOM 1155 CB VAL A 71 9.959 -8.255 -11.556 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.788 -9.125 -12.503 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.184 -7.187 -12.330 1.00 0.00 C ATOM 0 H VAL A 71 8.398 -7.264 -9.937 1.00 0.00 H new ATOM 0 HA VAL A 71 8.398 -9.678 -11.406 1.00 0.00 H new ATOM 0 HB VAL A 71 10.646 -7.746 -10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.450 -8.491 -13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.383 -9.830 -11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.122 -9.674 -13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.878 -6.592 -12.924 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.462 -7.668 -12.990 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.659 -6.539 -11.629 1.00 0.00 H new ATOM 1167 N ILE A 72 9.994 -9.717 -8.591 1.00 0.00 N ATOM 1168 CA ILE A 72 10.688 -10.574 -7.644 1.00 0.00 C ATOM 1169 C ILE A 72 9.685 -11.535 -7.003 1.00 0.00 C ATOM 1170 O ILE A 72 9.913 -12.743 -6.968 1.00 0.00 O ATOM 1171 CB ILE A 72 11.467 -9.733 -6.631 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.774 -9.217 -7.237 1.00 0.00 C ATOM 1173 CG2 ILE A 72 11.704 -10.513 -5.337 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.787 -10.352 -7.403 1.00 0.00 C ATOM 0 H ILE A 72 9.720 -8.807 -8.221 1.00 0.00 H new ATOM 0 HA ILE A 72 11.432 -11.184 -8.157 1.00 0.00 H new ATOM 0 HB ILE A 72 10.864 -8.862 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.574 -8.759 -8.206 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.194 -8.441 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.260 -9.892 -4.634 1.00 0.00 H new ATOM 0 HG22 ILE A 72 10.745 -10.789 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.276 -11.415 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.707 -9.958 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.003 -10.792 -6.429 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.374 -11.115 -8.062 1.00 0.00 H new ATOM 1186 N ASP A 73 8.596 -10.962 -6.512 1.00 0.00 N ATOM 1187 CA ASP A 73 7.557 -11.753 -5.875 1.00 0.00 C ATOM 1188 C ASP A 73 6.215 -11.466 -6.551 1.00 0.00 C ATOM 1189 O ASP A 73 5.802 -10.312 -6.653 1.00 0.00 O ATOM 1190 CB ASP A 73 7.425 -11.396 -4.393 1.00 0.00 C ATOM 1191 CG ASP A 73 8.167 -10.129 -3.964 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.624 -9.036 -4.230 1.00 0.00 O ATOM 1193 OD2 ASP A 73 9.261 -10.283 -3.380 1.00 0.00 O ATOM 0 H ASP A 73 8.411 -9.959 -6.542 1.00 0.00 H new ATOM 0 HA ASP A 73 7.828 -12.805 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.368 -11.277 -4.156 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.793 -12.233 -3.799 1.00 0.00 H new ATOM 1198 N GLU A 74 5.572 -12.536 -6.996 1.00 0.00 N ATOM 1199 CA GLU A 74 4.286 -12.413 -7.661 1.00 0.00 C ATOM 1200 C GLU A 74 3.149 -12.579 -6.650 1.00 0.00 C ATOM 1201 O GLU A 74 1.977 -12.582 -7.024 1.00 0.00 O ATOM 1202 CB GLU A 74 4.158 -13.426 -8.800 1.00 0.00 C ATOM 1203 CG GLU A 74 3.687 -14.784 -8.277 1.00 0.00 C ATOM 1204 CD GLU A 74 3.656 -15.823 -9.399 1.00 0.00 C ATOM 1205 OE1 GLU A 74 4.756 -16.261 -9.799 1.00 0.00 O ATOM 1206 OE2 GLU A 74 2.532 -16.157 -9.833 1.00 0.00 O ATOM 0 H GLU A 74 5.918 -13.492 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 74 4.218 -11.416 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.453 -13.055 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.120 -13.539 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.352 -15.122 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.693 -14.685 -7.841 1.00 0.00 H new ATOM 1213 N ASN A 75 3.535 -12.712 -5.390 1.00 0.00 N ATOM 1214 CA ASN A 75 2.562 -12.878 -4.323 1.00 0.00 C ATOM 1215 C ASN A 75 2.491 -11.591 -3.499 1.00 0.00 C ATOM 1216 O ASN A 75 1.640 -11.458 -2.621 1.00 0.00 O ATOM 1217 CB ASN A 75 2.963 -14.019 -3.385 1.00 0.00 C ATOM 1218 CG ASN A 75 1.729 -14.755 -2.859 1.00 0.00 C ATOM 1219 OD1 ASN A 75 0.599 -14.454 -3.207 1.00 0.00 O ATOM 1220 ND2 ASN A 75 2.008 -15.736 -2.005 1.00 0.00 N ATOM 0 H ASN A 75 4.508 -12.708 -5.084 1.00 0.00 H new ATOM 0 HA ASN A 75 1.598 -13.107 -4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.610 -14.719 -3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.538 -13.622 -2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.253 -16.289 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.977 -15.935 -1.756 1.00 0.00 H new ATOM 1227 N ILE A 76 3.397 -10.675 -3.812 1.00 0.00 N ATOM 1228 CA ILE A 76 3.447 -9.403 -3.111 1.00 0.00 C ATOM 1229 C ILE A 76 2.177 -8.607 -3.416 1.00 0.00 C ATOM 1230 O ILE A 76 1.772 -8.497 -4.572 1.00 0.00 O ATOM 1231 CB ILE A 76 4.738 -8.655 -3.451 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.897 -7.410 -2.577 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.801 -8.320 -4.943 1.00 0.00 C ATOM 1234 CD1 ILE A 76 6.158 -6.631 -2.955 1.00 0.00 C ATOM 0 H ILE A 76 4.101 -10.789 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 76 3.472 -9.563 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 76 5.580 -9.311 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.022 -6.769 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.947 -7.702 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.728 -7.789 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.768 -9.241 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.952 -7.691 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.247 -5.751 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.033 -7.267 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.094 -6.320 -3.998 1.00 0.00 H new ATOM 1246 N ARG A 77 1.584 -8.073 -2.358 1.00 0.00 N ATOM 1247 CA ARG A 77 0.367 -7.291 -2.498 1.00 0.00 C ATOM 1248 C ARG A 77 0.579 -5.878 -1.948 1.00 0.00 C ATOM 1249 O ARG A 77 0.677 -5.688 -0.737 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.799 -7.949 -1.759 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.826 -6.905 -1.315 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.226 -7.515 -1.228 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.344 -8.342 -0.006 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.152 -9.668 0.025 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -2.833 -10.325 -1.098 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -3.279 -10.336 1.180 1.00 0.00 N ATOM 0 H ARG A 77 1.923 -8.166 -1.401 1.00 0.00 H new ATOM 0 HA ARG A 77 0.126 -7.240 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.278 -8.682 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.425 -8.489 -0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.541 -6.500 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.831 -6.073 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.976 -6.724 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.421 -8.125 -2.110 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.587 -7.873 0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.736 -9.816 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.687 -11.334 -1.074 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.522 -9.835 2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.133 -11.345 1.204 1.00 0.00 H new ATOM 1270 N VAL A 78 0.642 -4.924 -2.865 1.00 0.00 N ATOM 1271 CA VAL A 78 0.840 -3.535 -2.488 1.00 0.00 C ATOM 1272 C VAL A 78 -0.003 -2.639 -3.397 1.00 0.00 C ATOM 1273 O VAL A 78 -0.193 -2.945 -4.573 1.00 0.00 O ATOM 1274 CB VAL A 78 2.330 -3.190 -2.522 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.733 -2.636 -3.890 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.692 -2.210 -1.405 1.00 0.00 C ATOM 0 H VAL A 78 0.559 -5.086 -3.869 1.00 0.00 H new ATOM 0 HA VAL A 78 0.505 -3.366 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 78 2.891 -4.110 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.797 -2.399 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.529 -3.381 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.160 -1.733 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.757 -1.982 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.118 -1.291 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.459 -2.658 -0.439 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.485 -1.549 -2.819 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.302 -0.605 -3.563 1.00 0.00 C ATOM 1288 C ILE A 79 -0.458 0.617 -3.929 1.00 0.00 C ATOM 1289 O ILE A 79 0.387 1.049 -3.146 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.572 -0.264 -2.781 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.712 -1.219 -3.142 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.965 1.201 -2.986 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.073 -0.585 -2.847 1.00 0.00 C ATOM 0 H ILE A 79 -0.325 -1.298 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.641 -1.049 -4.499 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.365 -0.397 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.650 -1.482 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.608 -2.145 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.871 1.417 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.158 1.846 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.147 1.384 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.866 -1.285 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.141 -0.346 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.184 0.328 -3.432 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.716 1.140 -5.118 1.00 0.00 N ATOM 1306 CA ILE A 80 0.010 2.304 -5.597 1.00 0.00 C ATOM 1307 C ILE A 80 -0.878 3.543 -5.467 1.00 0.00 C ATOM 1308 O ILE A 80 -2.103 3.439 -5.499 1.00 0.00 O ATOM 1309 CB ILE A 80 0.528 2.066 -7.017 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.568 2.327 -8.052 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.124 0.663 -7.155 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.841 3.826 -8.195 1.00 0.00 C ATOM 0 H ILE A 80 -1.418 0.779 -5.764 1.00 0.00 H new ATOM 0 HA ILE A 80 0.895 2.479 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 80 1.330 2.778 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.269 1.915 -9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.483 1.814 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.485 0.520 -8.174 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.953 0.550 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.359 -0.081 -6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.624 3.984 -8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.163 4.230 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.069 4.333 -8.515 1.00 0.00 H new ATOM 1324 N MET A 81 -0.226 4.687 -5.322 1.00 0.00 N ATOM 1325 CA MET A 81 -0.941 5.944 -5.186 1.00 0.00 C ATOM 1326 C MET A 81 -0.219 7.069 -5.931 1.00 0.00 C ATOM 1327 O MET A 81 0.959 7.323 -5.687 1.00 0.00 O ATOM 1328 CB MET A 81 -1.060 6.307 -3.704 1.00 0.00 C ATOM 1329 CG MET A 81 -0.473 5.204 -2.821 1.00 0.00 C ATOM 1330 SD MET A 81 -0.851 5.528 -1.107 1.00 0.00 S ATOM 1331 CE MET A 81 0.797 5.771 -0.466 1.00 0.00 C ATOM 0 H MET A 81 0.790 4.770 -5.296 1.00 0.00 H new ATOM 0 HA MET A 81 -1.934 5.824 -5.620 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.540 7.246 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.108 6.464 -3.447 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.880 4.236 -3.115 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.607 5.151 -2.960 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.739 6.089 0.575 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.354 4.836 -0.529 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.306 6.536 -1.052 1.00 0.00 H new ATOM 1341 N THR A 82 -0.957 7.713 -6.823 1.00 0.00 N ATOM 1342 CA THR A 82 -0.402 8.805 -7.605 1.00 0.00 C ATOM 1343 C THR A 82 -1.494 9.466 -8.448 1.00 0.00 C ATOM 1344 O THR A 82 -2.430 8.801 -8.889 1.00 0.00 O ATOM 1345 CB THR A 82 0.756 8.249 -8.437 1.00 0.00 C ATOM 1346 OG1 THR A 82 0.838 9.134 -9.551 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.429 6.892 -9.063 1.00 0.00 C ATOM 0 H THR A 82 -1.934 7.500 -7.022 1.00 0.00 H new ATOM 0 HA THR A 82 -0.010 9.593 -6.962 1.00 0.00 H new ATOM 0 HB THR A 82 1.642 8.155 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.765 9.432 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.284 6.543 -9.642 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.206 6.172 -8.275 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.436 6.993 -9.718 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.337 10.766 -8.648 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.298 11.525 -9.430 1.00 0.00 C ATOM 1357 C ALA A 83 -2.451 10.878 -10.808 1.00 0.00 C ATOM 1358 O ALA A 83 -1.564 10.155 -11.260 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.847 12.984 -9.518 1.00 0.00 C ATOM 0 H ALA A 83 -0.558 11.313 -8.282 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.277 11.515 -8.950 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.568 13.553 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.782 13.406 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.869 13.034 -9.997 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.582 11.162 -11.438 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.861 10.617 -12.755 1.00 0.00 C ATOM 1367 C TYR A 84 -3.094 11.378 -13.838 1.00 0.00 C ATOM 1368 O TYR A 84 -3.674 11.790 -14.842 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.363 10.808 -12.981 1.00 0.00 C ATOM 1370 CG TYR A 84 -5.838 12.253 -12.812 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -6.217 12.714 -11.568 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -5.887 13.095 -13.904 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.664 14.074 -11.409 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.334 14.455 -13.746 1.00 0.00 C ATOM 1375 CZ TYR A 84 -6.700 14.877 -12.506 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.123 16.161 -12.356 1.00 0.00 O ATOM 0 H TYR A 84 -4.315 11.762 -11.060 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.559 9.571 -12.809 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.615 10.468 -13.986 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.909 10.173 -12.283 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.178 12.055 -10.713 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.590 12.734 -14.878 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.964 14.447 -10.441 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.378 15.124 -14.593 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.096 16.618 -13.223 1.00 0.00 H new ATOM 1386 N GLY A 85 -1.801 11.543 -13.598 1.00 0.00 N ATOM 1387 CA GLY A 85 -0.949 12.247 -14.540 1.00 0.00 C ATOM 1388 C GLY A 85 0.029 11.286 -15.219 1.00 0.00 C ATOM 1389 O GLY A 85 0.245 11.365 -16.427 1.00 0.00 O ATOM 0 H GLY A 85 -1.323 11.201 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.563 12.739 -15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.395 13.029 -14.021 1.00 0.00 H new ATOM 1393 N GLU A 86 0.596 10.401 -14.412 1.00 0.00 N ATOM 1394 CA GLU A 86 1.546 9.426 -14.919 1.00 0.00 C ATOM 1395 C GLU A 86 0.868 8.066 -15.096 1.00 0.00 C ATOM 1396 O GLU A 86 1.368 7.052 -14.613 1.00 0.00 O ATOM 1397 CB GLU A 86 2.763 9.316 -13.999 1.00 0.00 C ATOM 1398 CG GLU A 86 2.338 9.269 -12.530 1.00 0.00 C ATOM 1399 CD GLU A 86 3.407 8.592 -11.671 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.465 9.228 -11.474 1.00 0.00 O ATOM 1401 OE2 GLU A 86 3.143 7.452 -11.231 1.00 0.00 O ATOM 0 H GLU A 86 0.415 10.339 -13.410 1.00 0.00 H new ATOM 0 HA GLU A 86 1.898 9.764 -15.894 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.330 8.418 -14.246 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.425 10.166 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.162 10.281 -12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.396 8.728 -12.437 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.261 8.089 -15.790 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.013 6.871 -16.037 1.00 0.00 C ATOM 1410 C LEU A 87 -0.049 5.757 -16.449 1.00 0.00 C ATOM 1411 O LEU A 87 -0.249 4.595 -16.096 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.128 7.126 -17.052 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.171 8.172 -16.654 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -3.798 8.820 -17.891 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.227 7.568 -15.726 1.00 0.00 C ATOM 0 H LEU A 87 -0.673 8.933 -16.189 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.513 6.540 -15.126 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.672 7.436 -17.992 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.642 6.184 -17.242 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.667 8.962 -16.097 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.536 9.560 -17.580 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.021 9.308 -18.479 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.284 8.055 -18.496 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.956 8.333 -15.458 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.732 6.747 -16.235 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.746 7.193 -14.823 1.00 0.00 H new ATOM 1427 N ASP A 88 0.977 6.149 -17.191 1.00 0.00 N ATOM 1428 CA ASP A 88 1.972 5.198 -17.655 1.00 0.00 C ATOM 1429 C ASP A 88 2.382 4.288 -16.495 1.00 0.00 C ATOM 1430 O ASP A 88 2.271 3.067 -16.589 1.00 0.00 O ATOM 1431 CB ASP A 88 3.226 5.915 -18.159 1.00 0.00 C ATOM 1432 CG ASP A 88 3.429 5.874 -19.675 1.00 0.00 C ATOM 1433 OD1 ASP A 88 3.123 4.812 -20.260 1.00 0.00 O ATOM 1434 OD2 ASP A 88 3.885 6.905 -20.215 1.00 0.00 O ATOM 0 H ASP A 88 1.140 7.113 -17.482 1.00 0.00 H new ATOM 0 HA ASP A 88 1.533 4.622 -18.470 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.183 6.957 -17.841 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.098 5.471 -17.679 1.00 0.00 H new ATOM 1439 N MET A 89 2.847 4.919 -15.426 1.00 0.00 N ATOM 1440 CA MET A 89 3.274 4.182 -14.249 1.00 0.00 C ATOM 1441 C MET A 89 2.097 3.447 -13.605 1.00 0.00 C ATOM 1442 O MET A 89 2.196 2.260 -13.296 1.00 0.00 O ATOM 1443 CB MET A 89 3.888 5.149 -13.235 1.00 0.00 C ATOM 1444 CG MET A 89 3.948 4.519 -11.842 1.00 0.00 C ATOM 1445 SD MET A 89 4.593 2.859 -11.951 1.00 0.00 S ATOM 1446 CE MET A 89 5.356 2.716 -10.343 1.00 0.00 C ATOM 0 H MET A 89 2.937 5.932 -15.351 1.00 0.00 H new ATOM 0 HA MET A 89 4.015 3.444 -14.556 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.892 5.428 -13.555 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.299 6.065 -13.198 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.579 5.121 -11.188 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.953 4.503 -11.398 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.106 1.926 -10.365 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.832 3.661 -10.081 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.596 2.474 -9.600 1.00 0.00 H new ATOM 1456 N ILE A 90 1.010 4.182 -13.423 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.185 3.615 -12.822 1.00 0.00 C ATOM 1458 C ILE A 90 -0.576 2.343 -13.577 1.00 0.00 C ATOM 1459 O ILE A 90 -0.759 1.289 -12.970 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.301 4.660 -12.760 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.953 5.776 -11.772 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.646 4.007 -12.436 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.105 7.152 -12.423 1.00 0.00 C ATOM 0 H ILE A 90 0.932 5.166 -13.681 1.00 0.00 H new ATOM 0 HA ILE A 90 0.009 3.327 -11.789 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.394 5.119 -13.744 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.602 5.709 -10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.070 5.648 -11.419 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.422 4.772 -12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.892 3.278 -13.208 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.584 3.505 -11.470 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.852 7.927 -11.699 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.437 7.224 -13.281 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.135 7.287 -12.753 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.692 2.483 -14.889 1.00 0.00 N ATOM 1476 CA GLN A 91 -1.057 1.358 -15.733 1.00 0.00 C ATOM 1477 C GLN A 91 -0.100 0.187 -15.500 1.00 0.00 C ATOM 1478 O GLN A 91 -0.535 -0.931 -15.230 1.00 0.00 O ATOM 1479 CB GLN A 91 -1.080 1.763 -17.208 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.491 2.162 -17.645 1.00 0.00 C ATOM 1481 CD GLN A 91 -3.010 1.227 -18.740 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -2.257 0.557 -19.428 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -4.334 1.219 -18.861 1.00 0.00 N ATOM 0 H GLN A 91 -0.540 3.359 -15.389 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.063 1.038 -15.463 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.396 2.596 -17.371 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.726 0.935 -17.822 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.163 2.132 -16.788 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.486 3.189 -18.011 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.905 1.805 -18.252 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.778 0.627 -19.563 1.00 0.00 H new ATOM 1492 N GLU A 92 1.186 0.485 -15.614 1.00 0.00 N ATOM 1493 CA GLU A 92 2.209 -0.529 -15.420 1.00 0.00 C ATOM 1494 C GLU A 92 2.005 -1.239 -14.080 1.00 0.00 C ATOM 1495 O GLU A 92 2.157 -2.456 -13.988 1.00 0.00 O ATOM 1496 CB GLU A 92 3.609 0.080 -15.510 1.00 0.00 C ATOM 1497 CG GLU A 92 4.309 -0.343 -16.802 1.00 0.00 C ATOM 1498 CD GLU A 92 3.855 0.520 -17.981 1.00 0.00 C ATOM 1499 OE1 GLU A 92 4.407 1.633 -18.115 1.00 0.00 O ATOM 1500 OE2 GLU A 92 2.965 0.048 -18.721 1.00 0.00 O ATOM 0 H GLU A 92 1.543 1.414 -15.838 1.00 0.00 H new ATOM 0 HA GLU A 92 2.118 -1.266 -16.218 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.540 1.167 -15.469 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.202 -0.234 -14.651 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.389 -0.258 -16.679 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.094 -1.391 -17.010 1.00 0.00 H new ATOM 1507 N SER A 93 1.663 -0.448 -13.073 1.00 0.00 N ATOM 1508 CA SER A 93 1.437 -0.985 -11.742 1.00 0.00 C ATOM 1509 C SER A 93 0.339 -2.050 -11.788 1.00 0.00 C ATOM 1510 O SER A 93 0.521 -3.156 -11.281 1.00 0.00 O ATOM 1511 CB SER A 93 1.060 0.124 -10.757 1.00 0.00 C ATOM 1512 OG SER A 93 1.027 1.404 -11.382 1.00 0.00 O ATOM 0 H SER A 93 1.537 0.561 -13.153 1.00 0.00 H new ATOM 0 HA SER A 93 2.364 -1.442 -11.395 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.084 -0.093 -10.323 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.777 0.139 -9.936 1.00 0.00 H new ATOM 0 HG SER A 93 1.926 1.639 -11.694 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.776 -1.679 -12.400 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.903 -2.588 -12.518 1.00 0.00 C ATOM 1520 C LYS A 94 -1.460 -3.847 -13.266 1.00 0.00 C ATOM 1521 O LYS A 94 -1.726 -4.963 -12.823 1.00 0.00 O ATOM 1522 CB LYS A 94 -3.098 -1.880 -13.158 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.347 -2.011 -12.283 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.343 -2.999 -12.893 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.740 -2.806 -12.300 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.662 -3.852 -12.795 1.00 0.00 N ATOM 0 H LYS A 94 -0.923 -0.761 -12.819 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.242 -2.905 -11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.863 -0.826 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.293 -2.306 -14.142 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.063 -2.345 -11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.820 -1.036 -12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.381 -2.862 -13.974 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.005 -4.020 -12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.688 -2.844 -11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.122 -1.820 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.606 -3.706 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.725 -3.797 -13.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.305 -4.789 -12.519 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.793 -3.625 -14.389 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.311 -4.728 -15.204 1.00 0.00 C ATOM 1542 C GLU A 95 0.853 -5.434 -14.506 1.00 0.00 C ATOM 1543 O GLU A 95 1.264 -6.517 -14.919 1.00 0.00 O ATOM 1544 CB GLU A 95 0.096 -4.244 -16.597 1.00 0.00 C ATOM 1545 CG GLU A 95 -1.017 -3.410 -17.235 1.00 0.00 C ATOM 1546 CD GLU A 95 -2.245 -4.273 -17.535 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -2.055 -5.500 -17.676 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -3.345 -3.685 -17.616 1.00 0.00 O ATOM 0 H GLU A 95 -0.575 -2.698 -14.754 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.123 -5.445 -15.328 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.007 -3.649 -16.527 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.323 -5.101 -17.232 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.295 -2.595 -16.566 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.653 -2.956 -18.157 1.00 0.00 H new ATOM 1555 N LEU A 96 1.353 -4.791 -13.461 1.00 0.00 N ATOM 1556 CA LEU A 96 2.462 -5.343 -12.702 1.00 0.00 C ATOM 1557 C LEU A 96 1.941 -6.439 -11.771 1.00 0.00 C ATOM 1558 O LEU A 96 2.715 -7.259 -11.278 1.00 0.00 O ATOM 1559 CB LEU A 96 3.223 -4.230 -11.978 1.00 0.00 C ATOM 1560 CG LEU A 96 4.617 -3.909 -12.520 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.551 -3.483 -13.988 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.315 -2.862 -11.650 1.00 0.00 C ATOM 0 H LEU A 96 1.010 -3.892 -13.122 1.00 0.00 H new ATOM 0 HA LEU A 96 3.186 -5.809 -13.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.622 -3.322 -12.016 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.318 -4.505 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 96 5.218 -4.817 -12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.556 -3.261 -14.348 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.123 -4.290 -14.582 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.927 -2.594 -14.081 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.304 -2.652 -12.057 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.725 -1.946 -11.639 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.414 -3.242 -10.633 1.00 0.00 H new ATOM 1574 N GLY A 97 0.634 -6.417 -11.556 1.00 0.00 N ATOM 1575 CA GLY A 97 0.001 -7.399 -10.692 1.00 0.00 C ATOM 1576 C GLY A 97 -0.467 -6.758 -9.385 1.00 0.00 C ATOM 1577 O GLY A 97 -0.715 -7.454 -8.401 1.00 0.00 O ATOM 0 H GLY A 97 -0.004 -5.735 -11.965 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.849 -7.847 -11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.703 -8.204 -10.475 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.574 -5.438 -9.416 1.00 0.00 N ATOM 1582 CA ALA A 98 -1.008 -4.694 -8.245 1.00 0.00 C ATOM 1583 C ALA A 98 -2.491 -4.973 -7.990 1.00 0.00 C ATOM 1584 O ALA A 98 -3.126 -5.709 -8.743 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.723 -3.205 -8.450 1.00 0.00 C ATOM 0 H ALA A 98 -0.368 -4.864 -10.234 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.455 -5.013 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.049 -2.648 -7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.347 -3.056 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.264 -2.848 -9.327 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.999 -4.371 -6.925 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.395 -4.546 -6.561 1.00 0.00 C ATOM 1593 C LEU A 99 -5.235 -3.465 -7.245 1.00 0.00 C ATOM 1594 O LEU A 99 -6.220 -3.772 -7.915 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.552 -4.575 -5.039 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.469 -5.330 -4.267 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -3.299 -6.751 -4.809 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.150 -4.554 -4.271 1.00 0.00 C ATOM 0 H LEU A 99 -2.469 -3.761 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.763 -5.509 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.579 -3.547 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.518 -5.022 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.788 -5.417 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.523 -7.266 -4.243 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.240 -7.293 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.013 -6.708 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.397 -5.113 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.813 -4.414 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.299 -3.581 -3.802 1.00 0.00 H new ATOM 1610 N THR A 100 -4.814 -2.224 -7.053 1.00 0.00 N ATOM 1611 CA THR A 100 -5.516 -1.097 -7.644 1.00 0.00 C ATOM 1612 C THR A 100 -4.654 0.166 -7.569 1.00 0.00 C ATOM 1613 O THR A 100 -3.726 0.242 -6.765 1.00 0.00 O ATOM 1614 CB THR A 100 -6.864 -0.955 -6.935 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.390 0.273 -7.432 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.713 -0.714 -5.432 1.00 0.00 C ATOM 0 H THR A 100 -3.996 -1.974 -6.497 1.00 0.00 H new ATOM 0 HA THR A 100 -5.706 -1.261 -8.705 1.00 0.00 H new ATOM 0 HB THR A 100 -7.457 -1.854 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.576 0.876 -6.683 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.699 -0.621 -4.978 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.183 -1.553 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.148 0.203 -5.266 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.992 1.125 -8.418 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.262 2.381 -8.458 1.00 0.00 C ATOM 1626 C HIS A 101 -5.192 3.529 -8.063 1.00 0.00 C ATOM 1627 O HIS A 101 -6.244 3.718 -8.672 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.613 2.588 -9.828 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.599 2.671 -10.969 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -5.491 3.646 -11.306 1.00 0.00 N flip ATOM 1631 CD2 HIS A 101 -4.741 1.668 -11.912 1.00 0.00 C flip ATOM 1632 CE1 HIS A 101 -6.141 3.261 -12.398 1.00 0.00 C flip ATOM 1633 NE2 HIS A 101 -5.678 2.035 -12.774 1.00 0.00 N flip ATOM 0 H HIS A 101 -5.762 1.058 -9.084 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.447 2.355 -7.734 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.023 3.504 -9.804 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.921 1.768 -10.018 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -5.635 4.522 -10.804 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.183 0.744 -11.940 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -6.910 3.826 -12.905 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.771 4.266 -7.046 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.553 5.391 -6.562 1.00 0.00 C ATOM 1643 C PHE A 102 -4.935 6.719 -7.004 1.00 0.00 C ATOM 1644 O PHE A 102 -3.739 6.788 -7.284 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.542 5.320 -5.034 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.206 4.064 -4.465 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.340 3.577 -5.035 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.661 3.435 -3.389 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.956 2.411 -4.507 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.278 2.270 -2.861 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.412 1.783 -3.431 1.00 0.00 C ATOM 0 H PHE A 102 -3.898 4.106 -6.543 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.565 5.341 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.510 5.362 -4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.049 6.199 -4.636 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.773 4.077 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.760 3.821 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.856 2.023 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.846 1.771 -2.006 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.881 0.897 -3.029 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.777 7.741 -7.051 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.328 9.063 -7.453 1.00 0.00 C ATOM 1663 C ALA A 103 -5.161 9.940 -6.211 1.00 0.00 C ATOM 1664 O ALA A 103 -5.945 9.843 -5.268 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.320 9.656 -8.456 1.00 0.00 C ATOM 0 H ALA A 103 -6.768 7.680 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.359 9.005 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.983 10.648 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.380 9.011 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.304 9.732 -7.993 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.135 10.777 -6.250 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.855 11.670 -5.139 1.00 0.00 C ATOM 1673 C LYS A 104 -5.138 11.899 -4.338 1.00 0.00 C ATOM 1674 O LYS A 104 -5.209 11.556 -3.159 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.204 12.961 -5.640 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.734 13.032 -5.221 1.00 0.00 C ATOM 1677 CD LYS A 104 -1.016 14.180 -5.935 1.00 0.00 C ATOM 1678 CE LYS A 104 0.421 13.792 -6.288 1.00 0.00 C ATOM 1679 NZ LYS A 104 0.893 14.562 -7.461 1.00 0.00 N ATOM 0 H LYS A 104 -3.487 10.856 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.132 11.218 -4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.279 13.013 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.741 13.822 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.666 13.171 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.240 12.089 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.559 14.445 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.012 15.064 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.074 13.979 -5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.474 12.724 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.870 14.286 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.280 14.363 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.862 15.579 -7.244 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.148 12.493 -5.029 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.426 12.772 -4.395 1.00 0.00 C ATOM 1695 C PRO A 105 -8.246 11.492 -4.229 1.00 0.00 C ATOM 1696 O PRO A 105 -9.026 11.131 -5.109 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.097 13.795 -5.297 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.382 13.704 -6.635 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.101 12.913 -6.426 1.00 0.00 C ATOM 0 HA PRO A 105 -7.318 13.163 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.160 13.581 -5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.016 14.798 -4.878 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.016 13.215 -7.374 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.158 14.700 -7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.052 12.055 -7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.221 13.524 -6.626 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.043 10.840 -3.093 1.00 0.00 N ATOM 1708 CA PHE A 106 -8.754 9.607 -2.800 1.00 0.00 C ATOM 1709 C PHE A 106 -9.454 9.687 -1.442 1.00 0.00 C ATOM 1710 O PHE A 106 -9.039 10.449 -0.570 1.00 0.00 O ATOM 1711 CB PHE A 106 -7.711 8.488 -2.758 1.00 0.00 C ATOM 1712 CG PHE A 106 -6.312 8.957 -2.355 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -6.136 9.661 -1.205 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -5.244 8.668 -3.146 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -4.837 10.096 -0.830 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -3.945 9.103 -2.771 1.00 0.00 C ATOM 1717 CZ PHE A 106 -3.769 9.807 -1.621 1.00 0.00 C ATOM 0 H PHE A 106 -7.396 11.143 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.514 9.426 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.043 7.722 -2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.657 8.019 -3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.984 9.889 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.384 8.108 -4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -4.697 10.656 0.083 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.097 8.875 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.781 10.137 -1.336 1.00 0.00 H new ATOM 1727 N ASP A 107 -10.504 8.891 -1.305 1.00 0.00 N ATOM 1728 CA ASP A 107 -11.265 8.862 -0.068 1.00 0.00 C ATOM 1729 C ASP A 107 -11.125 7.484 0.581 1.00 0.00 C ATOM 1730 O ASP A 107 -11.253 6.462 -0.091 1.00 0.00 O ATOM 1731 CB ASP A 107 -12.751 9.112 -0.330 1.00 0.00 C ATOM 1732 CG ASP A 107 -13.380 10.220 0.518 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -12.610 11.094 0.971 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -14.617 10.168 0.693 1.00 0.00 O ATOM 0 H ASP A 107 -10.846 8.261 -2.031 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.877 9.644 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.882 9.362 -1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.297 8.185 -0.153 1.00 0.00 H new ATOM 1739 N ILE A 108 -10.862 7.500 1.879 1.00 0.00 N ATOM 1740 CA ILE A 108 -10.703 6.264 2.626 1.00 0.00 C ATOM 1741 C ILE A 108 -11.886 5.339 2.331 1.00 0.00 C ATOM 1742 O ILE A 108 -11.698 4.156 2.049 1.00 0.00 O ATOM 1743 CB ILE A 108 -10.510 6.558 4.115 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -9.305 5.797 4.672 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -11.788 6.264 4.903 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -9.530 4.286 4.599 1.00 0.00 C ATOM 0 H ILE A 108 -10.755 8.350 2.433 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.801 5.741 2.308 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.300 7.622 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.410 6.063 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.130 6.093 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.623 6.482 5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.599 6.887 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.054 5.213 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.659 3.769 5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.411 4.021 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.680 3.990 3.561 1.00 0.00 H new ATOM 1758 N ASP A 109 -13.078 5.912 2.406 1.00 0.00 N ATOM 1759 CA ASP A 109 -14.291 5.154 2.151 1.00 0.00 C ATOM 1760 C ASP A 109 -14.110 4.325 0.878 1.00 0.00 C ATOM 1761 O ASP A 109 -14.571 3.187 0.803 1.00 0.00 O ATOM 1762 CB ASP A 109 -15.488 6.084 1.943 1.00 0.00 C ATOM 1763 CG ASP A 109 -16.623 5.912 2.954 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -16.356 5.294 4.008 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -17.732 6.402 2.652 1.00 0.00 O ATOM 0 H ASP A 109 -13.230 6.893 2.640 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.477 4.514 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -15.139 7.116 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.886 5.921 0.941 1.00 0.00 H new ATOM 1770 N GLU A 110 -13.438 4.927 -0.092 1.00 0.00 N ATOM 1771 CA GLU A 110 -13.190 4.258 -1.358 1.00 0.00 C ATOM 1772 C GLU A 110 -12.139 3.160 -1.182 1.00 0.00 C ATOM 1773 O GLU A 110 -12.237 2.099 -1.796 1.00 0.00 O ATOM 1774 CB GLU A 110 -12.762 5.260 -2.433 1.00 0.00 C ATOM 1775 CG GLU A 110 -13.464 6.605 -2.240 1.00 0.00 C ATOM 1776 CD GLU A 110 -14.148 7.057 -3.532 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -13.409 7.299 -4.510 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -15.395 7.149 -3.512 1.00 0.00 O ATOM 0 H GLU A 110 -13.057 5.871 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 110 -14.119 3.794 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.682 5.401 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -12.996 4.862 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -14.203 6.523 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.739 7.356 -1.926 1.00 0.00 H new ATOM 1785 N ILE A 111 -11.159 3.453 -0.340 1.00 0.00 N ATOM 1786 CA ILE A 111 -10.091 2.504 -0.076 1.00 0.00 C ATOM 1787 C ILE A 111 -10.643 1.338 0.748 1.00 0.00 C ATOM 1788 O ILE A 111 -10.142 0.219 0.659 1.00 0.00 O ATOM 1789 CB ILE A 111 -8.899 3.207 0.576 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -8.082 3.978 -0.463 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -8.039 2.214 1.360 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.392 5.475 -0.404 1.00 0.00 C ATOM 0 H ILE A 111 -11.082 4.334 0.168 1.00 0.00 H new ATOM 0 HA ILE A 111 -9.714 2.086 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.281 3.936 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.018 3.816 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.302 3.596 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.199 2.739 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.641 1.749 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.664 1.445 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.798 5.999 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -9.451 5.635 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.148 5.858 0.587 1.00 0.00 H new ATOM 1804 N ARG A 112 -11.668 1.642 1.530 1.00 0.00 N ATOM 1805 CA ARG A 112 -12.294 0.634 2.369 1.00 0.00 C ATOM 1806 C ARG A 112 -13.039 -0.387 1.506 1.00 0.00 C ATOM 1807 O ARG A 112 -13.337 -1.490 1.961 1.00 0.00 O ATOM 1808 CB ARG A 112 -13.275 1.269 3.356 1.00 0.00 C ATOM 1809 CG ARG A 112 -12.546 2.185 4.341 1.00 0.00 C ATOM 1810 CD ARG A 112 -13.434 2.514 5.543 1.00 0.00 C ATOM 1811 NE ARG A 112 -12.765 3.513 6.407 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.372 4.168 7.406 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.664 3.935 7.672 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -12.687 5.057 8.138 1.00 0.00 N ATOM 0 H ARG A 112 -12.081 2.572 1.600 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.505 0.134 2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.026 1.840 2.811 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.803 0.488 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.630 1.703 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.253 3.106 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.394 2.901 5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.640 1.608 6.113 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.781 3.715 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.186 3.259 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.126 4.434 8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.703 5.235 7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.149 5.556 8.898 1.00 0.00 H new ATOM 1828 N ASP A 113 -13.317 0.017 0.275 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.021 -0.848 -0.656 1.00 0.00 C ATOM 1830 C ASP A 113 -13.041 -1.871 -1.235 1.00 0.00 C ATOM 1831 O ASP A 113 -13.325 -3.068 -1.251 1.00 0.00 O ATOM 1832 CB ASP A 113 -14.608 -0.045 -1.818 1.00 0.00 C ATOM 1833 CG ASP A 113 -16.114 -0.216 -2.027 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -16.862 0.169 -1.103 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -16.483 -0.729 -3.105 1.00 0.00 O ATOM 0 H ASP A 113 -13.067 0.932 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.829 -1.340 -0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.397 1.012 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.094 -0.333 -2.735 1.00 0.00 H new ATOM 1840 N ALA A 114 -11.908 -1.362 -1.697 1.00 0.00 N ATOM 1841 CA ALA A 114 -10.885 -2.216 -2.276 1.00 0.00 C ATOM 1842 C ALA A 114 -10.285 -3.100 -1.180 1.00 0.00 C ATOM 1843 O ALA A 114 -9.955 -4.259 -1.424 1.00 0.00 O ATOM 1844 CB ALA A 114 -9.831 -1.352 -2.970 1.00 0.00 C ATOM 0 H ALA A 114 -11.676 -0.369 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.316 -2.873 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.064 -1.993 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.303 -0.766 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.374 -0.681 -2.243 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.162 -2.518 0.004 1.00 0.00 N ATOM 1851 CA VAL A 115 -9.607 -3.238 1.137 1.00 0.00 C ATOM 1852 C VAL A 115 -10.644 -4.235 1.659 1.00 0.00 C ATOM 1853 O VAL A 115 -10.287 -5.284 2.194 1.00 0.00 O ATOM 1854 CB VAL A 115 -9.138 -2.249 2.207 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -9.306 -2.837 3.609 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -7.689 -1.823 1.961 1.00 0.00 C ATOM 0 H VAL A 115 -10.437 -1.556 0.203 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.729 -3.809 0.834 1.00 0.00 H new ATOM 0 HB VAL A 115 -9.765 -1.360 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -8.965 -2.114 4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -10.357 -3.067 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -8.716 -3.749 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.380 -1.120 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.042 -2.700 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -7.611 -1.345 0.985 1.00 0.00 H new