USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=18 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 93 SER OG : rot 98:sc= -1.52! USER MOD Set 1.2: A 101 HIS :FLIP no HE2:sc= -10.9! C(o=-14!,f=-12!) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.649 K(o=1.4,f=-1.8) USER MOD Set 2.2: A 30 THR OG1 : rot 176:sc= 0.725 USER MOD Set 3.1: A 5 LYS NZ :NH3+ -159:sc= 1.21 (180deg=-0.216) USER MOD Set 3.2: A 29 GLN : amide:sc= 1.08 K(o=2.3,f=-7.1) USER MOD Single : A 12 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.036) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00166 USER MOD Single : A 32 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -0.933 K(o=-0.93,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.084 (180deg=-0.683) USER MOD Single : A 55 MET CE :methyl 148:sc= -16.7! (180deg=-22.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 163:sc= -2.68! (180deg=-3.24!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -173:sc=-0.00302 (180deg=-0.0342) USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= 0.52 (180deg=-0.242) USER MOD Single : A 75 ASN : amide:sc= 1.03 K(o=1,f=-0.16) USER MOD Single : A 81 MET CE :methyl 173:sc= -14.6! (180deg=-15.8!) USER MOD Single : A 82 THR OG1 : rot 130:sc= -0.0417 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -132:sc= -3.24! (180deg=-8.25!) USER MOD Single : A 91 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.16) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.238! USER MOD Single : A 104 LYS NZ :NH3+ -137:sc= -0.21 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -5.490 -9.220 10.914 1.00 0.00 N ATOM 50 CA GLU A 4 -5.379 -8.235 9.852 1.00 0.00 C ATOM 51 C GLU A 4 -4.095 -7.419 10.016 1.00 0.00 C ATOM 52 O GLU A 4 -3.714 -7.073 11.134 1.00 0.00 O ATOM 53 CB GLU A 4 -6.607 -7.323 9.819 1.00 0.00 C ATOM 54 CG GLU A 4 -6.499 -6.298 8.688 1.00 0.00 C ATOM 55 CD GLU A 4 -6.827 -6.936 7.337 1.00 0.00 C ATOM 56 OE1 GLU A 4 -7.888 -7.592 7.261 1.00 0.00 O ATOM 57 OE2 GLU A 4 -6.008 -6.754 6.410 1.00 0.00 O ATOM 0 HA GLU A 4 -5.332 -8.762 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.507 -7.924 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.707 -6.807 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.181 -5.469 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.491 -5.883 8.663 1.00 0.00 H new ATOM 64 N LYS A 5 -3.463 -7.136 8.887 1.00 0.00 N ATOM 65 CA LYS A 5 -2.230 -6.367 8.892 1.00 0.00 C ATOM 66 C LYS A 5 -2.185 -5.475 7.650 1.00 0.00 C ATOM 67 O LYS A 5 -2.885 -5.731 6.671 1.00 0.00 O ATOM 68 CB LYS A 5 -1.021 -7.295 9.026 1.00 0.00 C ATOM 69 CG LYS A 5 -0.808 -7.711 10.483 1.00 0.00 C ATOM 70 CD LYS A 5 0.111 -8.930 10.577 1.00 0.00 C ATOM 71 CE LYS A 5 1.346 -8.622 11.426 1.00 0.00 C ATOM 72 NZ LYS A 5 1.158 -9.109 12.811 1.00 0.00 N ATOM 0 H LYS A 5 -3.781 -7.425 7.962 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.196 -5.708 9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.168 -8.181 8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.129 -6.792 8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.376 -6.881 11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.769 -7.939 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.434 -9.768 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.420 -9.235 9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.224 -9.093 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.530 -7.548 11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.807 -8.604 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.177 -8.937 13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.358 -10.129 12.851 1.00 0.00 H new ATOM 86 N ILE A 6 -1.355 -4.446 7.729 1.00 0.00 N ATOM 87 CA ILE A 6 -1.209 -3.514 6.624 1.00 0.00 C ATOM 88 C ILE A 6 0.118 -2.766 6.764 1.00 0.00 C ATOM 89 O ILE A 6 0.603 -2.558 7.874 1.00 0.00 O ATOM 90 CB ILE A 6 -2.428 -2.593 6.536 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.411 -3.084 5.471 1.00 0.00 C ATOM 92 CG2 ILE A 6 -2.002 -1.143 6.298 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.738 -3.507 6.104 1.00 0.00 C ATOM 0 H ILE A 6 -0.776 -4.237 8.542 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.174 -4.050 5.676 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.949 -2.623 7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.587 -2.293 4.742 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.977 -3.925 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.887 -0.509 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.370 -0.810 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.445 -1.076 5.363 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.419 -3.852 5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.561 -4.314 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.181 -2.657 6.623 1.00 0.00 H new ATOM 105 N LEU A 7 0.668 -2.384 5.621 1.00 0.00 N ATOM 106 CA LEU A 7 1.930 -1.664 5.602 1.00 0.00 C ATOM 107 C LEU A 7 1.766 -0.377 4.791 1.00 0.00 C ATOM 108 O LEU A 7 1.039 -0.352 3.800 1.00 0.00 O ATOM 109 CB LEU A 7 3.056 -2.569 5.096 1.00 0.00 C ATOM 110 CG LEU A 7 4.375 -2.493 5.868 1.00 0.00 C ATOM 111 CD1 LEU A 7 4.394 -3.497 7.022 1.00 0.00 C ATOM 112 CD2 LEU A 7 5.570 -2.675 4.930 1.00 0.00 C ATOM 0 H LEU A 7 0.263 -2.559 4.701 1.00 0.00 H new ATOM 0 HA LEU A 7 2.216 -1.371 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.704 -3.600 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.253 -2.321 4.053 1.00 0.00 H new ATOM 0 HG LEU A 7 4.458 -1.498 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.342 -3.422 7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.575 -3.279 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.278 -4.507 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.495 -2.617 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.506 -3.648 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.562 -1.890 4.174 1.00 0.00 H new ATOM 124 N ILE A 8 2.454 0.661 5.244 1.00 0.00 N ATOM 125 CA ILE A 8 2.393 1.949 4.574 1.00 0.00 C ATOM 126 C ILE A 8 3.812 2.412 4.238 1.00 0.00 C ATOM 127 O ILE A 8 4.718 2.296 5.062 1.00 0.00 O ATOM 128 CB ILE A 8 1.602 2.954 5.413 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.113 2.602 5.429 1.00 0.00 C ATOM 130 CG2 ILE A 8 1.847 4.385 4.932 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.507 2.901 6.796 1.00 0.00 C ATOM 0 H ILE A 8 3.056 0.636 6.067 1.00 0.00 H new ATOM 0 HA ILE A 8 1.853 1.862 3.631 1.00 0.00 H new ATOM 0 HB ILE A 8 1.959 2.895 6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.407 3.170 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.017 1.547 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.272 5.079 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.908 4.620 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.535 4.478 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.566 2.642 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.001 2.313 7.562 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.397 3.962 7.021 1.00 0.00 H new ATOM 143 N VAL A 9 3.962 2.926 3.026 1.00 0.00 N ATOM 144 CA VAL A 9 5.255 3.407 2.571 1.00 0.00 C ATOM 145 C VAL A 9 5.066 4.714 1.798 1.00 0.00 C ATOM 146 O VAL A 9 4.212 4.800 0.917 1.00 0.00 O ATOM 147 CB VAL A 9 5.957 2.323 1.750 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.438 2.655 1.556 1.00 0.00 C ATOM 149 CG2 VAL A 9 5.783 0.947 2.396 1.00 0.00 C ATOM 0 H VAL A 9 3.209 3.020 2.345 1.00 0.00 H new ATOM 0 HA VAL A 9 5.902 3.623 3.421 1.00 0.00 H new ATOM 0 HB VAL A 9 5.489 2.292 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.913 1.869 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.532 3.606 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.925 2.727 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.291 0.195 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.212 0.959 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.722 0.706 2.458 1.00 0.00 H new ATOM 159 N ASP A 10 5.876 5.699 2.157 1.00 0.00 N ATOM 160 CA ASP A 10 5.809 6.997 1.508 1.00 0.00 C ATOM 161 C ASP A 10 4.355 7.474 1.481 1.00 0.00 C ATOM 162 O ASP A 10 3.459 6.770 1.944 1.00 0.00 O ATOM 163 CB ASP A 10 6.307 6.917 0.063 1.00 0.00 C ATOM 164 CG ASP A 10 6.713 8.257 -0.555 1.00 0.00 C ATOM 165 OD1 ASP A 10 7.164 9.126 0.221 1.00 0.00 O ATOM 166 OD2 ASP A 10 6.564 8.380 -1.790 1.00 0.00 O ATOM 0 H ASP A 10 6.582 5.624 2.889 1.00 0.00 H new ATOM 0 HA ASP A 10 6.439 7.687 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.163 6.243 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.524 6.473 -0.551 1.00 0.00 H new ATOM 171 N ASP A 11 4.167 8.666 0.934 1.00 0.00 N ATOM 172 CA ASP A 11 2.838 9.245 0.841 1.00 0.00 C ATOM 173 C ASP A 11 2.348 9.615 2.242 1.00 0.00 C ATOM 174 O ASP A 11 1.210 10.051 2.411 1.00 0.00 O ATOM 175 CB ASP A 11 1.844 8.249 0.241 1.00 0.00 C ATOM 176 CG ASP A 11 0.560 8.871 -0.314 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.609 9.332 -1.475 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.440 8.870 0.435 1.00 0.00 O ATOM 0 H ASP A 11 4.913 9.246 0.551 1.00 0.00 H new ATOM 0 HA ASP A 11 2.898 10.125 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.340 7.701 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.576 7.521 1.006 1.00 0.00 H new ATOM 183 N GLN A 12 3.232 9.429 3.212 1.00 0.00 N ATOM 184 CA GLN A 12 2.904 9.738 4.593 1.00 0.00 C ATOM 185 C GLN A 12 2.755 11.249 4.778 1.00 0.00 C ATOM 186 O GLN A 12 3.726 11.993 4.648 1.00 0.00 O ATOM 187 CB GLN A 12 3.956 9.170 5.547 1.00 0.00 C ATOM 188 CG GLN A 12 5.368 9.383 4.996 1.00 0.00 C ATOM 189 CD GLN A 12 6.347 9.733 6.118 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.329 9.050 6.355 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.026 10.834 6.792 1.00 0.00 N ATOM 0 H GLN A 12 4.175 9.068 3.068 1.00 0.00 H new ATOM 0 HA GLN A 12 1.951 9.267 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.866 9.650 6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.778 8.105 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.703 8.480 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.357 10.183 4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.189 11.360 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.617 11.153 7.560 1.00 0.00 H new ATOM 200 N TYR A 13 1.531 11.659 5.079 1.00 0.00 N ATOM 201 CA TYR A 13 1.243 13.068 5.283 1.00 0.00 C ATOM 202 C TYR A 13 0.041 13.253 6.212 1.00 0.00 C ATOM 203 O TYR A 13 -0.676 14.247 6.115 1.00 0.00 O ATOM 204 CB TYR A 13 0.897 13.632 3.904 1.00 0.00 C ATOM 205 CG TYR A 13 1.615 14.940 3.568 1.00 0.00 C ATOM 206 CD1 TYR A 13 2.891 14.912 3.042 1.00 0.00 C ATOM 207 CD2 TYR A 13 0.988 16.149 3.792 1.00 0.00 C ATOM 208 CE1 TYR A 13 3.567 16.143 2.726 1.00 0.00 C ATOM 209 CE2 TYR A 13 1.664 17.380 3.476 1.00 0.00 C ATOM 210 CZ TYR A 13 2.920 17.317 2.958 1.00 0.00 C ATOM 211 OH TYR A 13 3.559 18.480 2.660 1.00 0.00 O ATOM 0 H TYR A 13 0.728 11.040 5.186 1.00 0.00 H new ATOM 0 HA TYR A 13 2.095 13.572 5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.145 12.889 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.179 13.796 3.850 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.382 13.966 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.010 16.171 4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.565 16.135 2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.184 18.333 3.646 1.00 0.00 H new ATOM 0 HH TYR A 13 2.977 19.238 2.876 1.00 0.00 H new ATOM 221 N GLY A 14 -0.141 12.279 7.093 1.00 0.00 N ATOM 222 CA GLY A 14 -1.243 12.322 8.039 1.00 0.00 C ATOM 223 C GLY A 14 -2.387 11.411 7.589 1.00 0.00 C ATOM 224 O GLY A 14 -3.382 11.264 8.297 1.00 0.00 O ATOM 0 H GLY A 14 0.456 11.456 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.894 12.013 9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.605 13.346 8.135 1.00 0.00 H new ATOM 228 N ILE A 15 -2.206 10.823 6.416 1.00 0.00 N ATOM 229 CA ILE A 15 -3.211 9.931 5.864 1.00 0.00 C ATOM 230 C ILE A 15 -2.919 8.499 6.317 1.00 0.00 C ATOM 231 O ILE A 15 -3.841 7.725 6.571 1.00 0.00 O ATOM 232 CB ILE A 15 -3.293 10.090 4.344 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.818 11.477 3.966 1.00 0.00 C ATOM 234 CG2 ILE A 15 -4.128 8.971 3.719 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.674 12.401 3.545 1.00 0.00 C ATOM 0 H ILE A 15 -1.379 10.947 5.833 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.200 10.191 6.242 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.286 10.005 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.537 11.388 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.349 11.912 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.170 9.108 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.672 8.007 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.138 8.999 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.075 13.380 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.970 12.507 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.161 11.975 2.683 1.00 0.00 H new ATOM 247 N ARG A 16 -1.634 8.190 6.404 1.00 0.00 N ATOM 248 CA ARG A 16 -1.209 6.865 6.822 1.00 0.00 C ATOM 249 C ARG A 16 -1.834 6.509 8.172 1.00 0.00 C ATOM 250 O ARG A 16 -2.196 5.357 8.408 1.00 0.00 O ATOM 251 CB ARG A 16 0.314 6.785 6.935 1.00 0.00 C ATOM 252 CG ARG A 16 0.886 8.062 7.555 1.00 0.00 C ATOM 253 CD ARG A 16 2.235 7.790 8.224 1.00 0.00 C ATOM 254 NE ARG A 16 2.173 8.159 9.656 1.00 0.00 N ATOM 255 CZ ARG A 16 2.431 9.387 10.128 1.00 0.00 C ATOM 256 NH1 ARG A 16 2.770 10.371 9.284 1.00 0.00 N ATOM 257 NH2 ARG A 16 2.350 9.630 11.443 1.00 0.00 N ATOM 0 H ARG A 16 -0.873 8.835 6.192 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.543 6.155 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.592 5.925 7.544 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.748 6.630 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.005 8.823 6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.185 8.459 8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.495 6.736 8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.019 8.361 7.726 1.00 0.00 H new ATOM 0 HE ARG A 16 1.918 7.433 10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.832 10.186 8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.966 11.305 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.092 8.881 12.085 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.546 10.564 11.802 1.00 0.00 H new ATOM 271 N ILE A 17 -1.941 7.518 9.023 1.00 0.00 N ATOM 272 CA ILE A 17 -2.515 7.326 10.344 1.00 0.00 C ATOM 273 C ILE A 17 -4.020 7.085 10.210 1.00 0.00 C ATOM 274 O ILE A 17 -4.567 6.185 10.846 1.00 0.00 O ATOM 275 CB ILE A 17 -2.160 8.500 11.259 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.644 8.683 11.351 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.803 8.335 12.638 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.283 10.149 11.598 1.00 0.00 C ATOM 0 H ILE A 17 -1.640 8.472 8.824 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.090 6.442 10.819 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.569 9.411 10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.248 8.066 12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.176 8.340 10.428 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.535 9.183 13.268 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.887 8.291 12.531 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.446 7.414 13.098 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.800 10.252 11.659 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.659 10.760 10.777 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.732 10.482 12.534 1.00 0.00 H new ATOM 290 N LEU A 18 -4.648 7.904 9.379 1.00 0.00 N ATOM 291 CA LEU A 18 -6.079 7.790 9.154 1.00 0.00 C ATOM 292 C LEU A 18 -6.451 6.314 9.005 1.00 0.00 C ATOM 293 O LEU A 18 -7.284 5.802 9.751 1.00 0.00 O ATOM 294 CB LEU A 18 -6.504 8.656 7.967 1.00 0.00 C ATOM 295 CG LEU A 18 -7.969 9.097 7.949 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.142 10.452 8.639 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.523 9.105 6.523 1.00 0.00 C ATOM 0 H LEU A 18 -4.192 8.650 8.853 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.632 8.172 10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.877 9.547 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.300 8.105 7.049 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.551 8.370 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.192 10.742 8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.812 10.377 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.545 11.203 8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.566 9.422 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.943 9.796 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.455 8.102 6.101 1.00 0.00 H new ATOM 309 N LEU A 19 -5.817 5.672 8.036 1.00 0.00 N ATOM 310 CA LEU A 19 -6.071 4.264 7.779 1.00 0.00 C ATOM 311 C LEU A 19 -5.474 3.427 8.912 1.00 0.00 C ATOM 312 O LEU A 19 -5.912 2.304 9.155 1.00 0.00 O ATOM 313 CB LEU A 19 -5.562 3.872 6.390 1.00 0.00 C ATOM 314 CG LEU A 19 -4.153 4.351 6.033 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.252 3.172 5.658 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.197 5.412 4.932 1.00 0.00 C ATOM 0 H LEU A 19 -5.127 6.100 7.419 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.143 4.066 7.767 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.586 2.785 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.257 4.263 5.646 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.718 4.821 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.257 3.540 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.184 2.484 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.673 2.652 4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.183 5.735 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.659 4.991 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.780 6.267 5.274 1.00 0.00 H new ATOM 328 N ASN A 20 -4.484 4.007 9.575 1.00 0.00 N ATOM 329 CA ASN A 20 -3.823 3.329 10.676 1.00 0.00 C ATOM 330 C ASN A 20 -4.820 3.132 11.820 1.00 0.00 C ATOM 331 O ASN A 20 -5.109 2.002 12.209 1.00 0.00 O ATOM 332 CB ASN A 20 -2.650 4.155 11.207 1.00 0.00 C ATOM 333 CG ASN A 20 -1.780 3.326 12.155 1.00 0.00 C ATOM 334 OD1 ASN A 20 -1.953 2.129 12.310 1.00 0.00 O ATOM 335 ND2 ASN A 20 -0.838 4.028 12.778 1.00 0.00 N ATOM 0 H ASN A 20 -4.124 4.939 9.370 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.452 2.372 10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.046 4.513 10.373 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.027 5.035 11.729 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.206 3.566 13.432 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.748 5.029 12.602 1.00 0.00 H new ATOM 342 N GLU A 21 -5.317 4.251 12.328 1.00 0.00 N ATOM 343 CA GLU A 21 -6.275 4.216 13.420 1.00 0.00 C ATOM 344 C GLU A 21 -7.413 3.244 13.097 1.00 0.00 C ATOM 345 O GLU A 21 -8.011 2.662 14.000 1.00 0.00 O ATOM 346 CB GLU A 21 -6.818 5.615 13.718 1.00 0.00 C ATOM 347 CG GLU A 21 -7.700 5.606 14.968 1.00 0.00 C ATOM 348 CD GLU A 21 -7.773 6.998 15.598 1.00 0.00 C ATOM 349 OE1 GLU A 21 -8.533 7.828 15.055 1.00 0.00 O ATOM 350 OE2 GLU A 21 -7.066 7.200 16.609 1.00 0.00 O ATOM 0 H GLU A 21 -5.074 5.187 12.003 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.763 3.862 14.315 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.989 6.308 13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.393 5.975 12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.703 5.268 14.707 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.303 4.895 15.693 1.00 0.00 H new ATOM 357 N VAL A 22 -7.676 3.099 11.807 1.00 0.00 N ATOM 358 CA VAL A 22 -8.731 2.208 11.354 1.00 0.00 C ATOM 359 C VAL A 22 -8.326 0.760 11.637 1.00 0.00 C ATOM 360 O VAL A 22 -8.992 0.064 12.401 1.00 0.00 O ATOM 361 CB VAL A 22 -9.036 2.466 9.877 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.848 1.317 9.276 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.756 3.803 9.691 1.00 0.00 C ATOM 0 H VAL A 22 -7.177 3.583 11.061 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.654 2.400 11.901 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.087 2.520 9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.051 1.526 8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.282 0.389 9.359 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.790 1.217 9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.961 3.962 8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.695 3.791 10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.126 4.611 10.064 1.00 0.00 H new ATOM 373 N PHE A 23 -7.236 0.350 11.005 1.00 0.00 N ATOM 374 CA PHE A 23 -6.735 -1.003 11.179 1.00 0.00 C ATOM 375 C PHE A 23 -6.261 -1.231 12.616 1.00 0.00 C ATOM 376 O PHE A 23 -6.361 -2.340 13.138 1.00 0.00 O ATOM 377 CB PHE A 23 -5.545 -1.164 10.231 1.00 0.00 C ATOM 378 CG PHE A 23 -5.932 -1.228 8.752 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.992 -1.984 8.359 1.00 0.00 C ATOM 380 CD2 PHE A 23 -5.216 -0.528 7.831 1.00 0.00 C ATOM 381 CE1 PHE A 23 -7.351 -2.043 6.986 1.00 0.00 C ATOM 382 CE2 PHE A 23 -5.575 -0.588 6.459 1.00 0.00 C ATOM 383 CZ PHE A 23 -6.635 -1.344 6.065 1.00 0.00 C ATOM 0 H PHE A 23 -6.686 0.931 10.372 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.525 -1.723 10.967 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.859 -0.330 10.381 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.004 -2.073 10.494 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.560 -2.539 9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.375 0.073 8.144 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.193 -2.643 6.673 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.006 -0.033 5.728 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.908 -1.389 5.021 1.00 0.00 H new ATOM 393 N ASN A 24 -5.756 -0.163 13.215 1.00 0.00 N ATOM 394 CA ASN A 24 -5.266 -0.233 14.582 1.00 0.00 C ATOM 395 C ASN A 24 -6.453 -0.379 15.537 1.00 0.00 C ATOM 396 O ASN A 24 -6.366 -1.092 16.536 1.00 0.00 O ATOM 397 CB ASN A 24 -4.508 1.041 14.961 1.00 0.00 C ATOM 398 CG ASN A 24 -3.383 0.734 15.952 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.289 0.338 15.586 1.00 0.00 O ATOM 400 ND2 ASN A 24 -3.712 0.940 17.224 1.00 0.00 N ATOM 0 H ASN A 24 -5.675 0.756 12.779 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.594 -1.088 14.657 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.093 1.502 14.065 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.198 1.762 15.400 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.030 0.765 17.962 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.646 1.273 17.462 1.00 0.00 H new ATOM 407 N LYS A 25 -7.534 0.307 15.196 1.00 0.00 N ATOM 408 CA LYS A 25 -8.736 0.263 16.011 1.00 0.00 C ATOM 409 C LYS A 25 -9.123 -1.196 16.262 1.00 0.00 C ATOM 410 O LYS A 25 -9.774 -1.507 17.259 1.00 0.00 O ATOM 411 CB LYS A 25 -9.849 1.093 15.369 1.00 0.00 C ATOM 412 CG LYS A 25 -9.989 2.451 16.059 1.00 0.00 C ATOM 413 CD LYS A 25 -11.243 3.184 15.579 1.00 0.00 C ATOM 414 CE LYS A 25 -11.943 3.891 16.741 1.00 0.00 C ATOM 415 NZ LYS A 25 -13.311 4.299 16.351 1.00 0.00 N ATOM 0 H LYS A 25 -7.602 0.896 14.366 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.553 0.717 16.985 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.634 1.240 14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.793 0.551 15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.037 2.311 17.139 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.108 3.059 15.855 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.973 3.913 14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.928 2.475 15.115 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.987 3.227 17.605 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.368 4.767 17.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.772 4.777 17.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.262 4.949 15.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.862 3.458 16.087 1.00 0.00 H new ATOM 429 N GLU A 26 -8.707 -2.052 15.341 1.00 0.00 N ATOM 430 CA GLU A 26 -9.002 -3.471 15.450 1.00 0.00 C ATOM 431 C GLU A 26 -7.877 -4.191 16.195 1.00 0.00 C ATOM 432 O GLU A 26 -8.084 -5.271 16.747 1.00 0.00 O ATOM 433 CB GLU A 26 -9.230 -4.091 14.070 1.00 0.00 C ATOM 434 CG GLU A 26 -10.375 -3.390 13.336 1.00 0.00 C ATOM 435 CD GLU A 26 -11.732 -3.829 13.890 1.00 0.00 C ATOM 436 OE1 GLU A 26 -12.205 -4.899 13.449 1.00 0.00 O ATOM 437 OE2 GLU A 26 -12.264 -3.085 14.742 1.00 0.00 O ATOM 0 H GLU A 26 -8.168 -1.791 14.516 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.923 -3.588 16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.317 -4.019 13.480 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.457 -5.152 14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.269 -2.310 13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.322 -3.617 12.271 1.00 0.00 H new ATOM 444 N GLY A 27 -6.709 -3.565 16.188 1.00 0.00 N ATOM 445 CA GLY A 27 -5.551 -4.132 16.857 1.00 0.00 C ATOM 446 C GLY A 27 -4.561 -4.711 15.844 1.00 0.00 C ATOM 447 O GLY A 27 -3.605 -5.386 16.220 1.00 0.00 O ATOM 0 H GLY A 27 -6.540 -2.670 15.729 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.059 -3.364 17.453 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.871 -4.914 17.546 1.00 0.00 H new ATOM 451 N TYR A 28 -4.825 -4.424 14.577 1.00 0.00 N ATOM 452 CA TYR A 28 -3.969 -4.907 13.507 1.00 0.00 C ATOM 453 C TYR A 28 -2.569 -4.300 13.608 1.00 0.00 C ATOM 454 O TYR A 28 -2.409 -3.174 14.079 1.00 0.00 O ATOM 455 CB TYR A 28 -4.621 -4.441 12.203 1.00 0.00 C ATOM 456 CG TYR A 28 -6.078 -4.881 12.044 1.00 0.00 C ATOM 457 CD1 TYR A 28 -6.606 -5.838 12.887 1.00 0.00 C ATOM 458 CD2 TYR A 28 -6.864 -4.321 11.058 1.00 0.00 C ATOM 459 CE1 TYR A 28 -7.977 -6.252 12.738 1.00 0.00 C ATOM 460 CE2 TYR A 28 -8.235 -4.735 10.908 1.00 0.00 C ATOM 461 CZ TYR A 28 -8.724 -5.680 11.755 1.00 0.00 C ATOM 462 OH TYR A 28 -10.019 -6.071 11.614 1.00 0.00 O ATOM 0 H TYR A 28 -5.619 -3.863 14.268 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.865 -5.991 13.559 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.573 -3.353 12.153 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.043 -4.824 11.362 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.991 -6.276 13.659 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.451 -3.572 10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.403 -6.999 13.391 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.861 -4.305 10.140 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.431 -5.578 10.874 1.00 0.00 H new ATOM 472 N GLN A 29 -1.590 -5.071 13.158 1.00 0.00 N ATOM 473 CA GLN A 29 -0.208 -4.623 13.192 1.00 0.00 C ATOM 474 C GLN A 29 0.164 -3.950 11.870 1.00 0.00 C ATOM 475 O GLN A 29 0.170 -4.593 10.821 1.00 0.00 O ATOM 476 CB GLN A 29 0.737 -5.786 13.501 1.00 0.00 C ATOM 477 CG GLN A 29 1.592 -5.485 14.734 1.00 0.00 C ATOM 478 CD GLN A 29 2.310 -6.744 15.223 1.00 0.00 C ATOM 479 OE1 GLN A 29 2.673 -7.621 14.457 1.00 0.00 O ATOM 480 NE2 GLN A 29 2.495 -6.784 16.540 1.00 0.00 N ATOM 0 H GLN A 29 -1.726 -6.003 12.768 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.103 -3.890 13.992 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.159 -6.695 13.668 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.383 -5.972 12.643 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.324 -4.714 14.494 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.962 -5.089 15.530 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.166 -6.016 17.125 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.966 -7.583 16.965 1.00 0.00 H new ATOM 489 N THR A 30 0.466 -2.663 11.962 1.00 0.00 N ATOM 490 CA THR A 30 0.838 -1.895 10.786 1.00 0.00 C ATOM 491 C THR A 30 2.212 -1.251 10.983 1.00 0.00 C ATOM 492 O THR A 30 2.589 -0.914 12.104 1.00 0.00 O ATOM 493 CB THR A 30 -0.274 -0.881 10.512 1.00 0.00 C ATOM 494 OG1 THR A 30 -0.362 -0.127 11.718 1.00 0.00 O ATOM 495 CG2 THR A 30 -1.649 -1.541 10.384 1.00 0.00 C ATOM 0 H THR A 30 0.461 -2.133 12.833 1.00 0.00 H new ATOM 0 HA THR A 30 0.936 -2.536 9.910 1.00 0.00 H new ATOM 0 HB THR A 30 -0.048 -0.332 9.598 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.020 0.591 11.608 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.402 -0.778 10.190 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.635 -2.255 9.560 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.890 -2.062 11.311 1.00 0.00 H new ATOM 503 N PHE A 31 2.923 -1.100 9.875 1.00 0.00 N ATOM 504 CA PHE A 31 4.248 -0.503 9.912 1.00 0.00 C ATOM 505 C PHE A 31 4.438 0.479 8.754 1.00 0.00 C ATOM 506 O PHE A 31 3.675 0.463 7.790 1.00 0.00 O ATOM 507 CB PHE A 31 5.257 -1.644 9.769 1.00 0.00 C ATOM 508 CG PHE A 31 6.292 -1.703 10.894 1.00 0.00 C ATOM 509 CD1 PHE A 31 6.024 -2.403 12.029 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.481 -1.056 10.759 1.00 0.00 C ATOM 511 CE1 PHE A 31 6.984 -2.458 13.073 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.442 -1.111 11.803 1.00 0.00 C ATOM 513 CZ PHE A 31 8.173 -1.811 12.938 1.00 0.00 C ATOM 0 H PHE A 31 2.607 -1.380 8.947 1.00 0.00 H new ATOM 0 HA PHE A 31 4.384 0.045 10.844 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.717 -2.591 9.735 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.776 -1.539 8.816 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.080 -2.917 12.136 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.694 -0.500 9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.771 -3.013 13.974 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.386 -0.597 11.696 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.904 -1.853 13.732 1.00 0.00 H new ATOM 523 N GLN A 32 5.461 1.310 8.888 1.00 0.00 N ATOM 524 CA GLN A 32 5.762 2.298 7.865 1.00 0.00 C ATOM 525 C GLN A 32 7.206 2.142 7.385 1.00 0.00 C ATOM 526 O GLN A 32 8.059 1.651 8.123 1.00 0.00 O ATOM 527 CB GLN A 32 5.503 3.715 8.378 1.00 0.00 C ATOM 528 CG GLN A 32 4.037 3.897 8.773 1.00 0.00 C ATOM 529 CD GLN A 32 3.897 4.908 9.913 1.00 0.00 C ATOM 530 OE1 GLN A 32 4.803 5.664 10.221 1.00 0.00 O ATOM 531 NE2 GLN A 32 2.714 4.879 10.520 1.00 0.00 N ATOM 0 H GLN A 32 6.092 1.320 9.689 1.00 0.00 H new ATOM 0 HA GLN A 32 5.099 2.128 7.017 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.142 3.917 9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.768 4.439 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.464 4.235 7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.617 2.939 9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.999 4.220 10.212 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.522 5.515 11.294 1.00 0.00 H new ATOM 540 N ALA A 33 7.437 2.571 6.153 1.00 0.00 N ATOM 541 CA ALA A 33 8.763 2.486 5.567 1.00 0.00 C ATOM 542 C ALA A 33 9.055 3.769 4.787 1.00 0.00 C ATOM 543 O ALA A 33 8.153 4.568 4.538 1.00 0.00 O ATOM 544 CB ALA A 33 8.854 1.236 4.688 1.00 0.00 C ATOM 0 H ALA A 33 6.727 2.979 5.544 1.00 0.00 H new ATOM 0 HA ALA A 33 9.521 2.394 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.849 1.172 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.668 0.350 5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.110 1.295 3.894 1.00 0.00 H new ATOM 550 N ALA A 34 10.319 3.928 4.423 1.00 0.00 N ATOM 551 CA ALA A 34 10.741 5.102 3.677 1.00 0.00 C ATOM 552 C ALA A 34 11.567 4.661 2.467 1.00 0.00 C ATOM 553 O ALA A 34 12.625 5.226 2.194 1.00 0.00 O ATOM 554 CB ALA A 34 11.517 6.043 4.601 1.00 0.00 C ATOM 0 H ALA A 34 11.065 3.264 4.631 1.00 0.00 H new ATOM 0 HA ALA A 34 9.877 5.651 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.833 6.923 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.877 6.350 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.394 5.527 4.992 1.00 0.00 H new ATOM 560 N ASN A 35 11.053 3.656 1.773 1.00 0.00 N ATOM 561 CA ASN A 35 11.729 3.133 0.599 1.00 0.00 C ATOM 562 C ASN A 35 11.129 1.774 0.233 1.00 0.00 C ATOM 563 O ASN A 35 10.172 1.324 0.861 1.00 0.00 O ATOM 564 CB ASN A 35 13.223 2.934 0.867 1.00 0.00 C ATOM 565 CG ASN A 35 14.059 3.963 0.104 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.575 4.997 -0.327 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.336 3.623 -0.039 1.00 0.00 N ATOM 0 H ASN A 35 10.175 3.190 2.002 1.00 0.00 H new ATOM 0 HA ASN A 35 11.600 3.850 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.419 3.021 1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.518 1.928 0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.976 4.243 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.675 2.742 0.347 1.00 0.00 H new ATOM 574 N GLY A 36 11.717 1.158 -0.783 1.00 0.00 N ATOM 575 CA GLY A 36 11.252 -0.141 -1.240 1.00 0.00 C ATOM 576 C GLY A 36 11.790 -1.261 -0.348 1.00 0.00 C ATOM 577 O GLY A 36 11.018 -1.988 0.275 1.00 0.00 O ATOM 0 H GLY A 36 12.510 1.534 -1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.162 -0.162 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.573 -0.305 -2.269 1.00 0.00 H new ATOM 581 N LEU A 37 13.111 -1.365 -0.315 1.00 0.00 N ATOM 582 CA LEU A 37 13.761 -2.385 0.491 1.00 0.00 C ATOM 583 C LEU A 37 13.191 -2.347 1.910 1.00 0.00 C ATOM 584 O LEU A 37 12.677 -3.350 2.403 1.00 0.00 O ATOM 585 CB LEU A 37 15.281 -2.224 0.434 1.00 0.00 C ATOM 586 CG LEU A 37 16.077 -3.483 0.085 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.540 -3.144 -0.207 1.00 0.00 C ATOM 588 CD2 LEU A 37 15.941 -4.540 1.183 1.00 0.00 C ATOM 0 H LEU A 37 13.748 -0.760 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 37 13.554 -3.377 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.517 -1.454 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.624 -1.858 1.402 1.00 0.00 H new ATOM 0 HG LEU A 37 15.658 -3.910 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.083 -4.057 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.592 -2.453 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.988 -2.680 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.516 -5.425 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.318 -4.138 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.892 -4.811 1.299 1.00 0.00 H new ATOM 600 N GLN A 38 13.302 -1.180 2.527 1.00 0.00 N ATOM 601 CA GLN A 38 12.804 -0.999 3.880 1.00 0.00 C ATOM 602 C GLN A 38 11.383 -1.552 4.002 1.00 0.00 C ATOM 603 O GLN A 38 10.987 -2.028 5.065 1.00 0.00 O ATOM 604 CB GLN A 38 12.856 0.475 4.291 1.00 0.00 C ATOM 605 CG GLN A 38 13.979 0.724 5.300 1.00 0.00 C ATOM 606 CD GLN A 38 13.611 1.857 6.260 1.00 0.00 C ATOM 607 OE1 GLN A 38 12.610 1.815 6.956 1.00 0.00 O ATOM 608 NE2 GLN A 38 14.475 2.869 6.258 1.00 0.00 N ATOM 0 H GLN A 38 13.729 -0.351 2.115 1.00 0.00 H new ATOM 0 HA GLN A 38 13.449 -1.555 4.560 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.010 1.097 3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.900 0.769 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.174 -0.187 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.899 0.974 4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.293 2.840 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.319 3.674 6.865 1.00 0.00 H new ATOM 617 N ALA A 39 10.654 -1.471 2.898 1.00 0.00 N ATOM 618 CA ALA A 39 9.286 -1.958 2.868 1.00 0.00 C ATOM 619 C ALA A 39 9.291 -3.467 2.615 1.00 0.00 C ATOM 620 O ALA A 39 8.409 -4.182 3.087 1.00 0.00 O ATOM 621 CB ALA A 39 8.495 -1.192 1.806 1.00 0.00 C ATOM 0 H ALA A 39 10.985 -1.075 2.018 1.00 0.00 H new ATOM 0 HA ALA A 39 8.797 -1.786 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.468 -1.557 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.497 -0.129 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.956 -1.343 0.830 1.00 0.00 H new ATOM 627 N LEU A 40 10.296 -3.907 1.871 1.00 0.00 N ATOM 628 CA LEU A 40 10.428 -5.317 1.550 1.00 0.00 C ATOM 629 C LEU A 40 10.648 -6.111 2.840 1.00 0.00 C ATOM 630 O LEU A 40 10.033 -7.156 3.042 1.00 0.00 O ATOM 631 CB LEU A 40 11.524 -5.528 0.503 1.00 0.00 C ATOM 632 CG LEU A 40 11.133 -5.232 -0.946 1.00 0.00 C ATOM 633 CD1 LEU A 40 12.234 -5.672 -1.912 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.782 -5.863 -1.290 1.00 0.00 C ATOM 0 H LEU A 40 11.026 -3.311 1.482 1.00 0.00 H new ATOM 0 HA LEU A 40 9.510 -5.692 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.375 -4.899 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.862 -6.562 0.563 1.00 0.00 H new ATOM 0 HG LEU A 40 11.021 -4.153 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.930 -5.450 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.155 -5.136 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.402 -6.744 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.528 -5.637 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.841 -6.943 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.013 -5.459 -0.632 1.00 0.00 H new ATOM 646 N ASP A 41 11.528 -5.584 3.678 1.00 0.00 N ATOM 647 CA ASP A 41 11.838 -6.230 4.942 1.00 0.00 C ATOM 648 C ASP A 41 10.650 -6.073 5.894 1.00 0.00 C ATOM 649 O ASP A 41 10.174 -7.053 6.464 1.00 0.00 O ATOM 650 CB ASP A 41 13.061 -5.590 5.603 1.00 0.00 C ATOM 651 CG ASP A 41 13.719 -6.433 6.697 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.211 -7.528 6.351 1.00 0.00 O ATOM 653 OD2 ASP A 41 13.715 -5.962 7.855 1.00 0.00 O ATOM 0 H ASP A 41 12.036 -4.717 3.506 1.00 0.00 H new ATOM 0 HA ASP A 41 12.045 -7.281 4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.803 -5.378 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.764 -4.633 6.032 1.00 0.00 H new ATOM 658 N ILE A 42 10.207 -4.832 6.037 1.00 0.00 N ATOM 659 CA ILE A 42 9.084 -4.534 6.910 1.00 0.00 C ATOM 660 C ILE A 42 7.844 -5.279 6.411 1.00 0.00 C ATOM 661 O ILE A 42 6.901 -5.500 7.170 1.00 0.00 O ATOM 662 CB ILE A 42 8.886 -3.022 7.030 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.055 -2.373 7.775 1.00 0.00 C ATOM 664 CG2 ILE A 42 7.540 -2.696 7.681 1.00 0.00 C ATOM 665 CD1 ILE A 42 9.823 -2.398 9.287 1.00 0.00 C ATOM 0 H ILE A 42 10.606 -4.022 5.563 1.00 0.00 H new ATOM 0 HA ILE A 42 9.283 -4.888 7.922 1.00 0.00 H new ATOM 0 HB ILE A 42 8.870 -2.599 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.980 -2.899 7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.178 -1.343 7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.424 -1.615 7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.733 -3.107 7.074 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.503 -3.134 8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.668 -1.931 9.793 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.911 -1.851 9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.725 -3.430 9.623 1.00 0.00 H new ATOM 677 N VAL A 43 7.886 -5.647 5.139 1.00 0.00 N ATOM 678 CA VAL A 43 6.777 -6.362 4.530 1.00 0.00 C ATOM 679 C VAL A 43 6.651 -7.744 5.176 1.00 0.00 C ATOM 680 O VAL A 43 5.597 -8.091 5.706 1.00 0.00 O ATOM 681 CB VAL A 43 6.966 -6.427 3.013 1.00 0.00 C ATOM 682 CG1 VAL A 43 6.529 -7.786 2.464 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.217 -5.288 2.319 1.00 0.00 C ATOM 0 H VAL A 43 8.670 -5.464 4.513 1.00 0.00 H new ATOM 0 HA VAL A 43 5.840 -5.834 4.705 1.00 0.00 H new ATOM 0 HB VAL A 43 8.029 -6.307 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.674 -7.806 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.126 -8.573 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.476 -7.949 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.367 -5.357 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.153 -5.363 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.596 -4.331 2.678 1.00 0.00 H new ATOM 693 N THR A 44 7.742 -8.494 5.112 1.00 0.00 N ATOM 694 CA THR A 44 7.767 -9.829 5.684 1.00 0.00 C ATOM 695 C THR A 44 7.751 -9.755 7.212 1.00 0.00 C ATOM 696 O THR A 44 7.165 -10.612 7.872 1.00 0.00 O ATOM 697 CB THR A 44 8.988 -10.561 5.123 1.00 0.00 C ATOM 698 OG1 THR A 44 8.832 -10.466 3.710 1.00 0.00 O ATOM 699 CG2 THR A 44 8.948 -12.065 5.402 1.00 0.00 C ATOM 0 H THR A 44 8.615 -8.202 4.673 1.00 0.00 H new ATOM 0 HA THR A 44 6.877 -10.394 5.408 1.00 0.00 H new ATOM 0 HB THR A 44 9.895 -10.136 5.553 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.583 -10.914 3.267 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.837 -12.537 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.920 -12.235 6.478 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.058 -12.497 4.944 1.00 0.00 H new ATOM 707 N LYS A 45 8.401 -8.723 7.729 1.00 0.00 N ATOM 708 CA LYS A 45 8.469 -8.526 9.167 1.00 0.00 C ATOM 709 C LYS A 45 7.051 -8.473 9.738 1.00 0.00 C ATOM 710 O LYS A 45 6.730 -9.195 10.681 1.00 0.00 O ATOM 711 CB LYS A 45 9.312 -7.293 9.500 1.00 0.00 C ATOM 712 CG LYS A 45 10.267 -7.579 10.660 1.00 0.00 C ATOM 713 CD LYS A 45 9.986 -6.650 11.843 1.00 0.00 C ATOM 714 CE LYS A 45 10.739 -7.110 13.093 1.00 0.00 C ATOM 715 NZ LYS A 45 10.281 -8.454 13.509 1.00 0.00 N ATOM 0 H LYS A 45 8.885 -8.014 7.178 1.00 0.00 H new ATOM 0 HA LYS A 45 8.974 -9.367 9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.882 -6.989 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.658 -6.460 9.759 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.162 -8.617 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.297 -7.450 10.328 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.283 -5.632 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.915 -6.628 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.810 -7.130 12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.580 -6.398 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.514 -8.605 14.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.252 -8.526 13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.755 -9.177 12.931 1.00 0.00 H new ATOM 729 N GLU A 46 6.239 -7.612 9.142 1.00 0.00 N ATOM 730 CA GLU A 46 4.862 -7.456 9.580 1.00 0.00 C ATOM 731 C GLU A 46 3.934 -8.329 8.733 1.00 0.00 C ATOM 732 O GLU A 46 2.728 -8.370 8.970 1.00 0.00 O ATOM 733 CB GLU A 46 4.433 -5.988 9.527 1.00 0.00 C ATOM 734 CG GLU A 46 4.866 -5.245 10.792 1.00 0.00 C ATOM 735 CD GLU A 46 6.387 -5.090 10.844 1.00 0.00 C ATOM 736 OE1 GLU A 46 6.993 -5.066 9.751 1.00 0.00 O ATOM 737 OE2 GLU A 46 6.910 -5.000 11.976 1.00 0.00 O ATOM 0 H GLU A 46 6.508 -7.015 8.360 1.00 0.00 H new ATOM 0 HA GLU A 46 4.791 -7.784 10.617 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.871 -5.509 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.350 -5.925 9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.396 -4.262 10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.522 -5.788 11.672 1.00 0.00 H new ATOM 744 N ARG A 47 4.532 -9.006 7.764 1.00 0.00 N ATOM 745 CA ARG A 47 3.774 -9.876 6.881 1.00 0.00 C ATOM 746 C ARG A 47 2.308 -9.440 6.836 1.00 0.00 C ATOM 747 O ARG A 47 1.419 -10.199 7.218 1.00 0.00 O ATOM 748 CB ARG A 47 3.852 -11.333 7.343 1.00 0.00 C ATOM 749 CG ARG A 47 3.412 -11.470 8.802 1.00 0.00 C ATOM 750 CD ARG A 47 2.251 -12.457 8.934 1.00 0.00 C ATOM 751 NE ARG A 47 2.715 -13.828 8.626 1.00 0.00 N ATOM 752 CZ ARG A 47 1.957 -14.925 8.759 1.00 0.00 C ATOM 753 NH1 ARG A 47 0.694 -14.819 9.196 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.461 -16.129 8.456 1.00 0.00 N ATOM 0 H ARG A 47 5.533 -8.970 7.571 1.00 0.00 H new ATOM 0 HA ARG A 47 4.210 -9.799 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.219 -11.954 6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.872 -11.700 7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.252 -11.808 9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.112 -10.496 9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.845 -12.420 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.445 -12.176 8.256 1.00 0.00 H new ATOM 0 HE ARG A 47 3.671 -13.945 8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.310 -13.903 9.427 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.117 -15.654 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.422 -16.211 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.884 -16.964 8.557 1.00 0.00 H new ATOM 768 N PRO A 48 2.096 -8.186 6.354 1.00 0.00 N ATOM 769 CA PRO A 48 0.753 -7.640 6.255 1.00 0.00 C ATOM 770 C PRO A 48 -0.005 -8.258 5.078 1.00 0.00 C ATOM 771 O PRO A 48 0.601 -8.859 4.192 1.00 0.00 O ATOM 772 CB PRO A 48 0.948 -6.139 6.114 1.00 0.00 C ATOM 773 CG PRO A 48 2.390 -5.946 5.673 1.00 0.00 C ATOM 774 CD PRO A 48 3.124 -7.259 5.893 1.00 0.00 C ATOM 0 HA PRO A 48 0.141 -7.868 7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.256 -5.722 5.382 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.757 -5.630 7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.433 -5.656 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.860 -5.145 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.590 -7.611 4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.918 -7.150 6.631 1.00 0.00 H new ATOM 782 N ASP A 49 -1.319 -8.088 5.107 1.00 0.00 N ATOM 783 CA ASP A 49 -2.165 -8.622 4.054 1.00 0.00 C ATOM 784 C ASP A 49 -2.388 -7.545 2.990 1.00 0.00 C ATOM 785 O ASP A 49 -3.141 -7.753 2.039 1.00 0.00 O ATOM 786 CB ASP A 49 -3.532 -9.035 4.602 1.00 0.00 C ATOM 787 CG ASP A 49 -3.607 -10.465 5.142 1.00 0.00 C ATOM 788 OD1 ASP A 49 -3.299 -11.386 4.355 1.00 0.00 O ATOM 789 OD2 ASP A 49 -3.970 -10.604 6.330 1.00 0.00 O ATOM 0 H ASP A 49 -1.818 -7.588 5.843 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.667 -9.495 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.810 -8.346 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.273 -8.922 3.811 1.00 0.00 H new ATOM 794 N LEU A 50 -1.721 -6.417 3.186 1.00 0.00 N ATOM 795 CA LEU A 50 -1.837 -5.307 2.255 1.00 0.00 C ATOM 796 C LEU A 50 -0.728 -4.292 2.539 1.00 0.00 C ATOM 797 O LEU A 50 -0.328 -4.109 3.687 1.00 0.00 O ATOM 798 CB LEU A 50 -3.245 -4.711 2.306 1.00 0.00 C ATOM 799 CG LEU A 50 -3.972 -4.592 0.965 1.00 0.00 C ATOM 800 CD1 LEU A 50 -5.023 -5.693 0.812 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.573 -3.197 0.789 1.00 0.00 C ATOM 0 H LEU A 50 -1.098 -6.248 3.976 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.699 -5.652 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.853 -5.322 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.182 -3.718 2.752 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.242 -4.730 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.525 -5.586 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.538 -6.668 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.755 -5.611 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.084 -3.140 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.286 -3.004 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.778 -2.452 0.823 1.00 0.00 H new ATOM 813 N VAL A 51 -0.263 -3.659 1.472 1.00 0.00 N ATOM 814 CA VAL A 51 0.792 -2.666 1.592 1.00 0.00 C ATOM 815 C VAL A 51 0.455 -1.462 0.711 1.00 0.00 C ATOM 816 O VAL A 51 -0.051 -1.622 -0.399 1.00 0.00 O ATOM 817 CB VAL A 51 2.144 -3.297 1.251 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.293 -2.344 1.588 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.318 -4.639 1.964 1.00 0.00 C ATOM 0 H VAL A 51 -0.597 -3.814 0.521 1.00 0.00 H new ATOM 0 HA VAL A 51 0.865 -2.307 2.619 1.00 0.00 H new ATOM 0 HB VAL A 51 2.166 -3.483 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.243 -2.816 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.182 -1.423 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.274 -2.113 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.287 -5.066 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.265 -4.488 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.526 -5.321 1.654 1.00 0.00 H new ATOM 829 N LEU A 52 0.749 -0.283 1.238 1.00 0.00 N ATOM 830 CA LEU A 52 0.484 0.949 0.514 1.00 0.00 C ATOM 831 C LEU A 52 1.796 1.709 0.312 1.00 0.00 C ATOM 832 O LEU A 52 2.444 2.103 1.280 1.00 0.00 O ATOM 833 CB LEU A 52 -0.598 1.766 1.224 1.00 0.00 C ATOM 834 CG LEU A 52 -0.494 3.285 1.078 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.871 3.942 1.196 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.506 3.866 2.079 1.00 0.00 C ATOM 0 H LEU A 52 1.169 -0.154 2.159 1.00 0.00 H new ATOM 0 HA LEU A 52 0.086 0.731 -0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.570 1.450 0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.573 1.520 2.286 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.115 3.507 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.769 5.022 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.525 3.559 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.301 3.713 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.560 4.947 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.181 3.635 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.490 3.431 1.905 1.00 0.00 H new ATOM 848 N LEU A 53 2.148 1.893 -0.952 1.00 0.00 N ATOM 849 CA LEU A 53 3.371 2.599 -1.294 1.00 0.00 C ATOM 850 C LEU A 53 3.078 3.608 -2.406 1.00 0.00 C ATOM 851 O LEU A 53 2.234 3.362 -3.267 1.00 0.00 O ATOM 852 CB LEU A 53 4.483 1.608 -1.640 1.00 0.00 C ATOM 853 CG LEU A 53 5.799 2.219 -2.125 1.00 0.00 C ATOM 854 CD1 LEU A 53 6.983 1.309 -1.790 1.00 0.00 C ATOM 855 CD2 LEU A 53 5.734 2.548 -3.618 1.00 0.00 C ATOM 0 H LEU A 53 1.607 1.565 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 53 3.736 3.165 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.690 1.002 -0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.113 0.932 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 53 5.955 3.158 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.906 1.767 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.040 1.169 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.847 0.342 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.682 2.981 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.543 1.636 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.930 3.262 -3.799 1.00 0.00 H new ATOM 867 N ASP A 54 3.792 4.723 -2.352 1.00 0.00 N ATOM 868 CA ASP A 54 3.619 5.771 -3.345 1.00 0.00 C ATOM 869 C ASP A 54 4.833 5.789 -4.276 1.00 0.00 C ATOM 870 O ASP A 54 5.974 5.788 -3.816 1.00 0.00 O ATOM 871 CB ASP A 54 3.511 7.145 -2.682 1.00 0.00 C ATOM 872 CG ASP A 54 4.110 8.300 -3.487 1.00 0.00 C ATOM 873 OD1 ASP A 54 4.062 8.209 -4.732 1.00 0.00 O ATOM 874 OD2 ASP A 54 4.602 9.249 -2.838 1.00 0.00 O ATOM 0 H ASP A 54 4.491 4.924 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 54 2.703 5.565 -3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.459 7.360 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.006 7.103 -1.712 1.00 0.00 H new ATOM 879 N MET A 55 4.546 5.807 -5.570 1.00 0.00 N ATOM 880 CA MET A 55 5.600 5.826 -6.570 1.00 0.00 C ATOM 881 C MET A 55 6.558 6.995 -6.334 1.00 0.00 C ATOM 882 O MET A 55 7.727 6.788 -6.010 1.00 0.00 O ATOM 883 CB MET A 55 4.979 5.947 -7.963 1.00 0.00 C ATOM 884 CG MET A 55 3.843 4.940 -8.147 1.00 0.00 C ATOM 885 SD MET A 55 4.340 3.340 -7.532 1.00 0.00 S ATOM 886 CE MET A 55 3.554 3.365 -5.930 1.00 0.00 C ATOM 0 H MET A 55 3.599 5.809 -5.948 1.00 0.00 H new ATOM 0 HA MET A 55 6.165 4.897 -6.494 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.600 6.958 -8.109 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.744 5.780 -8.722 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.954 5.282 -7.618 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.578 4.867 -9.202 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.260 2.353 -5.653 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.251 3.756 -5.189 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.670 4.001 -5.968 1.00 0.00 H new ATOM 896 N LYS A 56 6.029 8.197 -6.506 1.00 0.00 N ATOM 897 CA LYS A 56 6.823 9.399 -6.316 1.00 0.00 C ATOM 898 C LYS A 56 7.659 9.256 -5.043 1.00 0.00 C ATOM 899 O LYS A 56 7.130 9.347 -3.936 1.00 0.00 O ATOM 900 CB LYS A 56 5.928 10.640 -6.330 1.00 0.00 C ATOM 901 CG LYS A 56 6.511 11.726 -7.236 1.00 0.00 C ATOM 902 CD LYS A 56 7.420 12.670 -6.446 1.00 0.00 C ATOM 903 CE LYS A 56 8.510 13.260 -7.344 1.00 0.00 C ATOM 904 NZ LYS A 56 9.731 12.425 -7.293 1.00 0.00 N ATOM 0 H LYS A 56 5.060 8.365 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 56 7.521 9.530 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.930 10.369 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.820 11.026 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.076 11.264 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.702 12.294 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.826 13.475 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.879 12.130 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.149 13.324 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.743 14.276 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.461 12.839 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.084 12.385 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.508 11.463 -7.620 1.00 0.00 H new ATOM 918 N ILE A 57 8.950 9.036 -5.242 1.00 0.00 N ATOM 919 CA ILE A 57 9.863 8.880 -4.123 1.00 0.00 C ATOM 920 C ILE A 57 11.204 9.531 -4.470 1.00 0.00 C ATOM 921 O ILE A 57 11.672 9.429 -5.603 1.00 0.00 O ATOM 922 CB ILE A 57 9.980 7.407 -3.727 1.00 0.00 C ATOM 923 CG1 ILE A 57 8.697 6.918 -3.050 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.214 7.169 -2.855 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.770 5.418 -2.756 1.00 0.00 C ATOM 0 H ILE A 57 9.385 8.962 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 57 9.476 9.393 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 57 10.110 6.819 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.539 7.467 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.841 7.125 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.273 6.114 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.110 7.454 -3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 57 11.140 7.769 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.846 5.096 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.903 4.870 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.613 5.218 -2.094 1.00 0.00 H new ATOM 937 N PRO A 58 11.798 10.203 -3.448 1.00 0.00 N ATOM 938 CA PRO A 58 13.076 10.870 -3.634 1.00 0.00 C ATOM 939 C PRO A 58 14.222 9.858 -3.681 1.00 0.00 C ATOM 940 O PRO A 58 14.353 9.021 -2.789 1.00 0.00 O ATOM 941 CB PRO A 58 13.187 11.839 -2.468 1.00 0.00 C ATOM 942 CG PRO A 58 12.194 11.351 -1.425 1.00 0.00 C ATOM 943 CD PRO A 58 11.273 10.344 -2.093 1.00 0.00 C ATOM 0 HA PRO A 58 13.139 11.401 -4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.200 11.853 -2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.955 12.857 -2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.717 10.892 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.620 12.186 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.279 9.391 -1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.242 10.696 -2.103 1.00 0.00 H new ATOM 951 N GLY A 59 15.023 9.967 -4.731 1.00 0.00 N ATOM 952 CA GLY A 59 16.153 9.072 -4.907 1.00 0.00 C ATOM 953 C GLY A 59 15.693 7.696 -5.391 1.00 0.00 C ATOM 954 O GLY A 59 15.414 6.810 -4.584 1.00 0.00 O ATOM 0 H GLY A 59 14.911 10.662 -5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.851 9.500 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.690 8.969 -3.964 1.00 0.00 H new ATOM 958 N MET A 60 15.627 7.559 -6.708 1.00 0.00 N ATOM 959 CA MET A 60 15.205 6.306 -7.310 1.00 0.00 C ATOM 960 C MET A 60 13.696 6.103 -7.154 1.00 0.00 C ATOM 961 O MET A 60 13.242 5.535 -6.162 1.00 0.00 O ATOM 962 CB MET A 60 15.947 5.145 -6.645 1.00 0.00 C ATOM 963 CG MET A 60 16.535 4.198 -7.694 1.00 0.00 C ATOM 964 SD MET A 60 16.646 2.545 -7.030 1.00 0.00 S ATOM 965 CE MET A 60 14.932 2.055 -7.132 1.00 0.00 C ATOM 0 H MET A 60 15.859 8.296 -7.374 1.00 0.00 H new ATOM 0 HA MET A 60 15.440 6.338 -8.374 1.00 0.00 H new ATOM 0 HB2 MET A 60 16.745 5.533 -6.012 1.00 0.00 H new ATOM 0 HB3 MET A 60 15.264 4.596 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 60 15.910 4.199 -8.587 1.00 0.00 H new ATOM 0 HG3 MET A 60 17.523 4.545 -7.996 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.858 0.971 -7.048 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.372 2.521 -6.321 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.519 2.374 -8.089 1.00 0.00 H new ATOM 975 N ASP A 61 12.962 6.579 -8.149 1.00 0.00 N ATOM 976 CA ASP A 61 11.514 6.457 -8.135 1.00 0.00 C ATOM 977 C ASP A 61 11.131 5.011 -7.811 1.00 0.00 C ATOM 978 O ASP A 61 11.989 4.130 -7.780 1.00 0.00 O ATOM 979 CB ASP A 61 10.918 6.810 -9.499 1.00 0.00 C ATOM 980 CG ASP A 61 11.886 6.688 -10.678 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.205 5.533 -11.034 1.00 0.00 O ATOM 982 OD2 ASP A 61 12.285 7.754 -11.196 1.00 0.00 O ATOM 0 H ASP A 61 13.343 7.050 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 61 11.125 7.144 -7.383 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.061 6.162 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.542 7.832 -9.461 1.00 0.00 H new ATOM 987 N GLY A 62 9.842 4.812 -7.579 1.00 0.00 N ATOM 988 CA GLY A 62 9.335 3.488 -7.259 1.00 0.00 C ATOM 989 C GLY A 62 9.042 2.691 -8.531 1.00 0.00 C ATOM 990 O GLY A 62 8.680 1.518 -8.463 1.00 0.00 O ATOM 0 H GLY A 62 9.133 5.545 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.064 2.953 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.426 3.577 -6.664 1.00 0.00 H new ATOM 994 N ILE A 63 9.208 3.361 -9.662 1.00 0.00 N ATOM 995 CA ILE A 63 8.965 2.730 -10.948 1.00 0.00 C ATOM 996 C ILE A 63 9.706 1.393 -11.003 1.00 0.00 C ATOM 997 O ILE A 63 9.183 0.410 -11.527 1.00 0.00 O ATOM 998 CB ILE A 63 9.329 3.682 -12.089 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.554 4.996 -11.975 1.00 0.00 C ATOM 1000 CG2 ILE A 63 9.123 3.012 -13.449 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.441 6.189 -12.337 1.00 0.00 C ATOM 0 H ILE A 63 9.508 4.335 -9.714 1.00 0.00 H new ATOM 0 HA ILE A 63 7.904 2.512 -11.071 1.00 0.00 H new ATOM 0 HB ILE A 63 10.388 3.924 -12.006 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.687 4.969 -12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.178 5.113 -10.959 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.389 3.710 -14.243 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.755 2.127 -13.518 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.078 2.721 -13.557 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.866 7.110 -12.248 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.294 6.227 -11.660 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.796 6.081 -13.362 1.00 0.00 H new ATOM 1013 N GLU A 64 10.913 1.398 -10.456 1.00 0.00 N ATOM 1014 CA GLU A 64 11.731 0.198 -10.436 1.00 0.00 C ATOM 1015 C GLU A 64 11.409 -0.644 -9.199 1.00 0.00 C ATOM 1016 O GLU A 64 11.183 -1.848 -9.305 1.00 0.00 O ATOM 1017 CB GLU A 64 13.220 0.548 -10.488 1.00 0.00 C ATOM 1018 CG GLU A 64 13.607 1.090 -11.865 1.00 0.00 C ATOM 1019 CD GLU A 64 13.747 -0.044 -12.882 1.00 0.00 C ATOM 1020 OE1 GLU A 64 14.343 -1.076 -12.503 1.00 0.00 O ATOM 1021 OE2 GLU A 64 13.255 0.145 -14.015 1.00 0.00 O ATOM 0 H GLU A 64 11.344 2.215 -10.023 1.00 0.00 H new ATOM 0 HA GLU A 64 11.498 -0.391 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.450 1.290 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.814 -0.338 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.852 1.798 -12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.547 1.637 -11.793 1.00 0.00 H new ATOM 1028 N ILE A 65 11.398 0.024 -8.055 1.00 0.00 N ATOM 1029 CA ILE A 65 11.108 -0.648 -6.800 1.00 0.00 C ATOM 1030 C ILE A 65 9.861 -1.518 -6.969 1.00 0.00 C ATOM 1031 O ILE A 65 9.938 -2.743 -6.879 1.00 0.00 O ATOM 1032 CB ILE A 65 10.998 0.369 -5.661 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.333 1.081 -5.431 1.00 0.00 C ATOM 1034 CG2 ILE A 65 10.474 -0.292 -4.385 1.00 0.00 C ATOM 1035 CD1 ILE A 65 13.275 0.221 -4.586 1.00 0.00 C ATOM 0 H ILE A 65 11.585 1.023 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 65 11.927 -1.313 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 65 10.273 1.130 -5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.800 1.304 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 65 12.159 2.034 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.405 0.452 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.487 -0.714 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.156 -1.086 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.216 0.750 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.815 0.021 -3.618 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.466 -0.721 -5.099 1.00 0.00 H new ATOM 1047 N LEU A 66 8.741 -0.852 -7.210 1.00 0.00 N ATOM 1048 CA LEU A 66 7.480 -1.550 -7.392 1.00 0.00 C ATOM 1049 C LEU A 66 7.644 -2.616 -8.477 1.00 0.00 C ATOM 1050 O LEU A 66 6.994 -3.659 -8.431 1.00 0.00 O ATOM 1051 CB LEU A 66 6.353 -0.555 -7.673 1.00 0.00 C ATOM 1052 CG LEU A 66 6.001 0.401 -6.531 1.00 0.00 C ATOM 1053 CD1 LEU A 66 6.264 -0.250 -5.171 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.742 1.731 -6.682 1.00 0.00 C ATOM 0 H LEU A 66 8.681 0.164 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 66 7.196 -2.068 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.628 0.038 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.458 -1.117 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 66 4.934 0.619 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.006 0.450 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.656 -1.149 -5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.318 -0.515 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.474 2.392 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.817 1.552 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.463 2.198 -7.627 1.00 0.00 H new ATOM 1066 N LYS A 67 8.516 -2.317 -9.429 1.00 0.00 N ATOM 1067 CA LYS A 67 8.774 -3.236 -10.524 1.00 0.00 C ATOM 1068 C LYS A 67 9.459 -4.491 -9.980 1.00 0.00 C ATOM 1069 O LYS A 67 8.905 -5.586 -10.053 1.00 0.00 O ATOM 1070 CB LYS A 67 9.560 -2.538 -11.636 1.00 0.00 C ATOM 1071 CG LYS A 67 8.680 -2.299 -12.864 1.00 0.00 C ATOM 1072 CD LYS A 67 9.530 -1.984 -14.096 1.00 0.00 C ATOM 1073 CE LYS A 67 9.980 -3.268 -14.795 1.00 0.00 C ATOM 1074 NZ LYS A 67 11.056 -2.979 -15.769 1.00 0.00 N ATOM 0 H LYS A 67 9.053 -1.450 -9.464 1.00 0.00 H new ATOM 0 HA LYS A 67 7.838 -3.557 -10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.946 -1.587 -11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.421 -3.146 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.069 -3.181 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.995 -1.474 -12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.957 -1.370 -14.790 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.403 -1.402 -13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.334 -3.986 -14.056 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.133 -3.727 -15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.349 -3.862 -16.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.706 -2.310 -16.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.870 -2.562 -15.274 1.00 0.00 H new ATOM 1088 N ARG A 68 10.655 -4.289 -9.447 1.00 0.00 N ATOM 1089 CA ARG A 68 11.423 -5.391 -8.892 1.00 0.00 C ATOM 1090 C ARG A 68 10.607 -6.118 -7.820 1.00 0.00 C ATOM 1091 O ARG A 68 10.686 -7.339 -7.697 1.00 0.00 O ATOM 1092 CB ARG A 68 12.733 -4.895 -8.277 1.00 0.00 C ATOM 1093 CG ARG A 68 13.878 -4.973 -9.289 1.00 0.00 C ATOM 1094 CD ARG A 68 15.129 -4.272 -8.757 1.00 0.00 C ATOM 1095 NE ARG A 68 16.082 -5.271 -8.226 1.00 0.00 N ATOM 1096 CZ ARG A 68 17.236 -4.960 -7.620 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.587 -3.676 -7.464 1.00 0.00 N ATOM 1098 NH2 ARG A 68 18.040 -5.934 -7.169 1.00 0.00 N ATOM 0 H ARG A 68 11.111 -3.379 -9.388 1.00 0.00 H new ATOM 0 HA ARG A 68 11.655 -6.078 -9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.613 -3.866 -7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.977 -5.494 -7.400 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.106 -6.017 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.570 -4.512 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.600 -3.696 -9.554 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.855 -3.566 -7.973 1.00 0.00 H new ATOM 0 HE ARG A 68 15.846 -6.258 -8.327 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.976 -2.935 -7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.466 -3.440 -7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.773 -6.911 -7.287 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.918 -5.697 -6.708 1.00 0.00 H new ATOM 1112 N MET A 69 9.843 -5.336 -7.072 1.00 0.00 N ATOM 1113 CA MET A 69 9.014 -5.890 -6.015 1.00 0.00 C ATOM 1114 C MET A 69 8.096 -6.988 -6.556 1.00 0.00 C ATOM 1115 O MET A 69 8.108 -8.113 -6.059 1.00 0.00 O ATOM 1116 CB MET A 69 8.168 -4.777 -5.393 1.00 0.00 C ATOM 1117 CG MET A 69 8.543 -4.559 -3.925 1.00 0.00 C ATOM 1118 SD MET A 69 8.320 -2.843 -3.488 1.00 0.00 S ATOM 1119 CE MET A 69 6.606 -2.869 -2.991 1.00 0.00 C ATOM 0 H MET A 69 9.781 -4.323 -7.177 1.00 0.00 H new ATOM 0 HA MET A 69 9.666 -6.328 -5.259 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.312 -3.851 -5.950 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.111 -5.033 -5.468 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.925 -5.189 -3.286 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.579 -4.854 -3.758 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.266 -1.850 -2.804 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.004 -3.313 -3.784 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.500 -3.460 -2.081 1.00 0.00 H new ATOM 1129 N LYS A 70 7.322 -6.622 -7.567 1.00 0.00 N ATOM 1130 CA LYS A 70 6.399 -7.562 -8.181 1.00 0.00 C ATOM 1131 C LYS A 70 7.190 -8.588 -8.995 1.00 0.00 C ATOM 1132 O LYS A 70 6.904 -9.783 -8.939 1.00 0.00 O ATOM 1133 CB LYS A 70 5.339 -6.817 -8.995 1.00 0.00 C ATOM 1134 CG LYS A 70 5.824 -6.560 -10.423 1.00 0.00 C ATOM 1135 CD LYS A 70 5.817 -7.850 -11.245 1.00 0.00 C ATOM 1136 CE LYS A 70 4.921 -7.711 -12.477 1.00 0.00 C ATOM 1137 NZ LYS A 70 4.305 -9.012 -12.820 1.00 0.00 N ATOM 0 H LYS A 70 7.315 -5.688 -7.976 1.00 0.00 H new ATOM 0 HA LYS A 70 5.852 -8.114 -7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.418 -7.400 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.104 -5.869 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.184 -5.817 -10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.832 -6.145 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.833 -8.093 -11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.466 -8.677 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.142 -6.972 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.507 -7.346 -13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.329 -9.146 -13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.834 -9.779 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.318 -9.026 -12.492 1.00 0.00 H new ATOM 1151 N VAL A 71 8.170 -8.085 -9.731 1.00 0.00 N ATOM 1152 CA VAL A 71 9.004 -8.943 -10.555 1.00 0.00 C ATOM 1153 C VAL A 71 9.653 -10.013 -9.674 1.00 0.00 C ATOM 1154 O VAL A 71 9.980 -11.100 -10.150 1.00 0.00 O ATOM 1155 CB VAL A 71 10.025 -8.101 -11.322 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.923 -8.984 -12.191 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.329 -7.029 -12.164 1.00 0.00 C ATOM 0 H VAL A 71 8.405 -7.093 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 71 8.401 -9.458 -11.303 1.00 0.00 H new ATOM 0 HB VAL A 71 10.658 -7.596 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.639 -8.360 -12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.459 -9.692 -11.559 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.311 -9.530 -12.909 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.077 -6.444 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.661 -7.506 -12.881 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.753 -6.372 -11.513 1.00 0.00 H new ATOM 1167 N ILE A 72 9.820 -9.669 -8.406 1.00 0.00 N ATOM 1168 CA ILE A 72 10.424 -10.587 -7.455 1.00 0.00 C ATOM 1169 C ILE A 72 9.469 -11.755 -7.203 1.00 0.00 C ATOM 1170 O ILE A 72 9.882 -12.914 -7.218 1.00 0.00 O ATOM 1171 CB ILE A 72 10.838 -9.844 -6.182 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.265 -9.306 -6.301 1.00 0.00 C ATOM 1173 CG2 ILE A 72 10.660 -10.731 -4.948 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.281 -10.449 -6.334 1.00 0.00 C ATOM 0 H ILE A 72 9.548 -8.767 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 72 11.343 -11.009 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 72 10.180 -8.984 -6.058 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.357 -8.707 -7.207 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.480 -8.647 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.961 -10.180 -4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.614 -11.023 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.278 -11.623 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.287 -10.039 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.203 -11.032 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.078 -11.092 -7.190 1.00 0.00 H new ATOM 1186 N ASP A 73 8.210 -11.410 -6.976 1.00 0.00 N ATOM 1187 CA ASP A 73 7.193 -12.415 -6.721 1.00 0.00 C ATOM 1188 C ASP A 73 5.836 -11.896 -7.202 1.00 0.00 C ATOM 1189 O ASP A 73 5.594 -10.690 -7.200 1.00 0.00 O ATOM 1190 CB ASP A 73 7.080 -12.717 -5.225 1.00 0.00 C ATOM 1191 CG ASP A 73 7.869 -13.940 -4.751 1.00 0.00 C ATOM 1192 OD1 ASP A 73 8.439 -14.623 -5.629 1.00 0.00 O ATOM 1193 OD2 ASP A 73 7.884 -14.163 -3.521 1.00 0.00 O ATOM 0 H ASP A 73 7.871 -10.448 -6.963 1.00 0.00 H new ATOM 0 HA ASP A 73 7.477 -13.323 -7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.421 -11.845 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.029 -12.863 -4.978 1.00 0.00 H new ATOM 1198 N GLU A 74 4.988 -12.832 -7.601 1.00 0.00 N ATOM 1199 CA GLU A 74 3.662 -12.483 -8.084 1.00 0.00 C ATOM 1200 C GLU A 74 2.632 -12.635 -6.962 1.00 0.00 C ATOM 1201 O GLU A 74 1.429 -12.565 -7.206 1.00 0.00 O ATOM 1202 CB GLU A 74 3.280 -13.332 -9.298 1.00 0.00 C ATOM 1203 CG GLU A 74 2.697 -14.679 -8.864 1.00 0.00 C ATOM 1204 CD GLU A 74 2.387 -15.558 -10.077 1.00 0.00 C ATOM 1205 OE1 GLU A 74 3.351 -15.891 -10.798 1.00 0.00 O ATOM 1206 OE2 GLU A 74 1.191 -15.878 -10.255 1.00 0.00 O ATOM 0 H GLU A 74 5.193 -13.831 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 74 3.674 -11.440 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.552 -12.796 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.158 -13.496 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.403 -15.191 -8.210 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.787 -14.516 -8.286 1.00 0.00 H new ATOM 1213 N ASN A 75 3.143 -12.840 -5.757 1.00 0.00 N ATOM 1214 CA ASN A 75 2.283 -13.003 -4.597 1.00 0.00 C ATOM 1215 C ASN A 75 2.297 -11.714 -3.773 1.00 0.00 C ATOM 1216 O ASN A 75 1.536 -11.577 -2.816 1.00 0.00 O ATOM 1217 CB ASN A 75 2.774 -14.142 -3.702 1.00 0.00 C ATOM 1218 CG ASN A 75 1.599 -14.868 -3.044 1.00 0.00 C ATOM 1219 OD1 ASN A 75 1.353 -16.040 -3.273 1.00 0.00 O ATOM 1220 ND2 ASN A 75 0.890 -14.107 -2.215 1.00 0.00 N ATOM 0 H ASN A 75 4.142 -12.897 -5.559 1.00 0.00 H new ATOM 0 HA ASN A 75 1.278 -13.232 -4.952 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.357 -14.848 -4.293 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.437 -13.745 -2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.085 -14.499 -1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.151 -13.132 -2.069 1.00 0.00 H new ATOM 1227 N ILE A 76 3.170 -10.802 -4.174 1.00 0.00 N ATOM 1228 CA ILE A 76 3.293 -9.529 -3.484 1.00 0.00 C ATOM 1229 C ILE A 76 2.124 -8.625 -3.878 1.00 0.00 C ATOM 1230 O ILE A 76 1.853 -8.436 -5.063 1.00 0.00 O ATOM 1231 CB ILE A 76 4.667 -8.908 -3.747 1.00 0.00 C ATOM 1232 CG1 ILE A 76 4.879 -7.662 -2.885 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.860 -8.615 -5.236 1.00 0.00 C ATOM 1234 CD1 ILE A 76 6.102 -6.872 -3.354 1.00 0.00 C ATOM 0 H ILE A 76 3.799 -10.919 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 76 3.235 -9.673 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 76 5.430 -9.632 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.993 -7.029 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.008 -7.954 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.844 -8.174 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.782 -9.543 -5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.092 -7.919 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.230 -5.991 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.990 -7.500 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.959 -6.560 -4.389 1.00 0.00 H new ATOM 1246 N ARG A 77 1.462 -8.090 -2.863 1.00 0.00 N ATOM 1247 CA ARG A 77 0.328 -7.211 -3.089 1.00 0.00 C ATOM 1248 C ARG A 77 0.596 -5.832 -2.480 1.00 0.00 C ATOM 1249 O ARG A 77 0.706 -5.698 -1.263 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.949 -7.791 -2.478 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.734 -6.715 -1.725 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.152 -7.194 -1.404 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.108 -8.244 -0.363 1.00 0.00 N ATOM 1254 CZ ARG A 77 -3.029 -9.556 -0.623 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -2.986 -9.987 -1.891 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -2.994 -10.438 0.386 1.00 0.00 N ATOM 0 H ARG A 77 1.690 -8.249 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 77 0.191 -7.116 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.572 -8.217 -3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.694 -8.604 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.215 -6.460 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.780 -5.806 -2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.759 -6.356 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.626 -7.583 -2.305 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.140 -7.951 0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.013 -9.316 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.926 -10.986 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.028 -10.110 1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.934 -11.437 0.188 1.00 0.00 H new ATOM 1270 N VAL A 78 0.694 -4.843 -3.356 1.00 0.00 N ATOM 1271 CA VAL A 78 0.947 -3.480 -2.921 1.00 0.00 C ATOM 1272 C VAL A 78 0.114 -2.516 -3.768 1.00 0.00 C ATOM 1273 O VAL A 78 -0.175 -2.796 -4.930 1.00 0.00 O ATOM 1274 CB VAL A 78 2.446 -3.183 -2.977 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.842 -2.618 -4.343 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.860 -2.234 -1.850 1.00 0.00 C ATOM 0 H VAL A 78 0.603 -4.958 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 78 0.642 -3.347 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 78 2.979 -4.123 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.913 -2.415 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.600 -3.343 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.295 -1.693 -4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.931 -2.039 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.314 -1.295 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.630 -2.690 -0.887 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.249 -1.400 -3.153 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.042 -0.393 -3.835 1.00 0.00 C ATOM 1288 C ILE A 79 -0.162 0.819 -4.149 1.00 0.00 C ATOM 1289 O ILE A 79 0.700 1.187 -3.352 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.291 -0.050 -3.020 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.482 -0.906 -3.456 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.601 1.446 -3.094 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -4.803 -0.270 -3.018 1.00 0.00 C ATOM 0 H ILE A 79 -0.008 -1.171 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.406 -0.778 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.092 -0.285 -1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.473 -1.024 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.394 -1.904 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.493 1.662 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.759 2.012 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.772 1.731 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.634 -0.898 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.819 -0.176 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.899 0.718 -3.469 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.408 1.404 -5.312 1.00 0.00 N ATOM 1306 CA ILE A 80 0.352 2.566 -5.740 1.00 0.00 C ATOM 1307 C ILE A 80 -0.507 3.821 -5.576 1.00 0.00 C ATOM 1308 O ILE A 80 -1.734 3.748 -5.623 1.00 0.00 O ATOM 1309 CB ILE A 80 0.882 2.365 -7.162 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.216 2.620 -8.197 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.510 0.979 -7.322 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.513 4.115 -8.324 1.00 0.00 C ATOM 0 H ILE A 80 -1.123 1.095 -5.971 1.00 0.00 H new ATOM 0 HA ILE A 80 1.233 2.698 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 80 1.669 3.098 -7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.092 2.223 -9.164 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.123 2.089 -7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.879 0.862 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.339 0.872 -6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.761 0.214 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.297 4.269 -9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.844 4.503 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.390 4.640 -8.636 1.00 0.00 H new ATOM 1324 N MET A 81 0.171 4.943 -5.386 1.00 0.00 N ATOM 1325 CA MET A 81 -0.515 6.212 -5.214 1.00 0.00 C ATOM 1326 C MET A 81 0.225 7.338 -5.940 1.00 0.00 C ATOM 1327 O MET A 81 1.415 7.551 -5.713 1.00 0.00 O ATOM 1328 CB MET A 81 -0.611 6.543 -3.724 1.00 0.00 C ATOM 1329 CG MET A 81 -0.231 5.333 -2.868 1.00 0.00 C ATOM 1330 SD MET A 81 -0.298 5.764 -1.137 1.00 0.00 S ATOM 1331 CE MET A 81 1.362 5.331 -0.645 1.00 0.00 C ATOM 0 H MET A 81 1.189 5.000 -5.347 1.00 0.00 H new ATOM 0 HA MET A 81 -1.514 6.124 -5.641 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.048 7.379 -3.490 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.626 6.859 -3.483 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.910 4.505 -3.072 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.772 4.994 -3.128 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.532 5.652 0.382 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.492 4.251 -0.714 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.077 5.825 -1.303 1.00 0.00 H new ATOM 1341 N THR A 82 -0.511 8.029 -6.798 1.00 0.00 N ATOM 1342 CA THR A 82 0.061 9.128 -7.559 1.00 0.00 C ATOM 1343 C THR A 82 -1.011 9.787 -8.430 1.00 0.00 C ATOM 1344 O THR A 82 -1.954 9.128 -8.865 1.00 0.00 O ATOM 1345 CB THR A 82 1.245 8.583 -8.360 1.00 0.00 C ATOM 1346 OG1 THR A 82 1.362 9.480 -9.461 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.939 7.232 -9.011 1.00 0.00 C ATOM 0 H THR A 82 -1.498 7.850 -6.983 1.00 0.00 H new ATOM 0 HA THR A 82 0.430 9.915 -6.902 1.00 0.00 H new ATOM 0 HB THR A 82 2.111 8.483 -7.705 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.292 9.780 -9.541 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.812 6.890 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.693 6.503 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.094 7.339 -9.692 1.00 0.00 H new ATOM 1355 N ALA A 83 -0.829 11.079 -8.659 1.00 0.00 N ATOM 1356 CA ALA A 83 -1.768 11.835 -9.470 1.00 0.00 C ATOM 1357 C ALA A 83 -1.910 11.163 -10.837 1.00 0.00 C ATOM 1358 O ALA A 83 -0.944 10.616 -11.367 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.295 13.286 -9.580 1.00 0.00 C ATOM 0 H ALA A 83 -0.045 11.622 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.754 11.848 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.999 13.853 -10.188 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.238 13.727 -8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.310 13.313 -10.045 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.122 11.225 -11.368 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.404 10.629 -12.663 1.00 0.00 C ATOM 1367 C TYR A 84 -2.696 11.394 -13.784 1.00 0.00 C ATOM 1368 O TYR A 84 -3.340 11.877 -14.714 1.00 0.00 O ATOM 1369 CB TYR A 84 -4.917 10.744 -12.860 1.00 0.00 C ATOM 1370 CG TYR A 84 -5.468 12.154 -12.640 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -5.858 12.553 -11.377 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -5.575 13.027 -13.703 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.377 13.880 -11.170 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.094 14.355 -13.495 1.00 0.00 C ATOM 1375 CZ TYR A 84 -6.469 14.715 -12.239 1.00 0.00 C ATOM 1376 OH TYR A 84 -6.959 15.969 -12.043 1.00 0.00 O ATOM 0 H TYR A 84 -3.921 11.679 -10.925 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.056 9.597 -12.695 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.167 10.421 -13.871 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.415 10.059 -12.174 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.774 11.870 -10.545 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.270 12.715 -14.691 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.686 14.205 -10.188 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.183 15.048 -14.318 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.966 16.454 -12.894 1.00 0.00 H new ATOM 1386 N GLY A 85 -1.380 11.480 -13.658 1.00 0.00 N ATOM 1387 CA GLY A 85 -0.577 12.177 -14.649 1.00 0.00 C ATOM 1388 C GLY A 85 0.388 11.217 -15.347 1.00 0.00 C ATOM 1389 O GLY A 85 0.709 11.398 -16.521 1.00 0.00 O ATOM 0 H GLY A 85 -0.849 11.079 -12.885 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.229 12.644 -15.387 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.015 12.978 -14.169 1.00 0.00 H new ATOM 1393 N GLU A 86 0.824 10.217 -14.596 1.00 0.00 N ATOM 1394 CA GLU A 86 1.746 9.228 -15.128 1.00 0.00 C ATOM 1395 C GLU A 86 1.016 7.910 -15.395 1.00 0.00 C ATOM 1396 O GLU A 86 1.511 6.840 -15.047 1.00 0.00 O ATOM 1397 CB GLU A 86 2.930 9.016 -14.181 1.00 0.00 C ATOM 1398 CG GLU A 86 2.517 9.253 -12.727 1.00 0.00 C ATOM 1399 CD GLU A 86 3.559 8.683 -11.762 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.624 9.326 -11.632 1.00 0.00 O ATOM 1401 OE2 GLU A 86 3.268 7.618 -11.176 1.00 0.00 O ATOM 0 H GLU A 86 0.556 10.070 -13.623 1.00 0.00 H new ATOM 0 HA GLU A 86 2.141 9.600 -16.073 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.313 8.002 -14.293 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.740 9.694 -14.448 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.397 10.322 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.549 8.788 -12.539 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.151 8.032 -16.011 1.00 0.00 N ATOM 1409 CA LEU A 87 -0.955 6.864 -16.329 1.00 0.00 C ATOM 1410 C LEU A 87 -0.052 5.770 -16.902 1.00 0.00 C ATOM 1411 O LEU A 87 -0.262 4.587 -16.639 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.116 7.247 -17.248 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.079 8.306 -16.707 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -3.600 9.201 -17.833 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.218 7.658 -15.916 1.00 0.00 C ATOM 0 H LEU A 87 -0.559 8.922 -16.298 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.413 6.460 -15.427 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.704 7.607 -18.191 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.687 6.346 -17.473 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.530 8.946 -16.016 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.282 9.945 -17.421 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.762 9.705 -18.315 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.128 8.592 -18.567 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.888 8.432 -15.542 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.773 6.981 -16.565 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.806 7.099 -15.076 1.00 0.00 H new ATOM 1427 N ASP A 88 0.933 6.204 -17.674 1.00 0.00 N ATOM 1428 CA ASP A 88 1.868 5.276 -18.287 1.00 0.00 C ATOM 1429 C ASP A 88 2.304 4.239 -17.250 1.00 0.00 C ATOM 1430 O ASP A 88 2.119 3.040 -17.450 1.00 0.00 O ATOM 1431 CB ASP A 88 3.119 6.003 -18.784 1.00 0.00 C ATOM 1432 CG ASP A 88 3.386 5.877 -20.285 1.00 0.00 C ATOM 1433 OD1 ASP A 88 2.419 6.074 -21.052 1.00 0.00 O ATOM 1434 OD2 ASP A 88 4.552 5.588 -20.632 1.00 0.00 O ATOM 0 H ASP A 88 1.104 7.186 -17.889 1.00 0.00 H new ATOM 0 HA ASP A 88 1.368 4.801 -19.131 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.030 7.060 -18.533 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.984 5.619 -18.243 1.00 0.00 H new ATOM 1439 N MET A 89 2.875 4.740 -16.164 1.00 0.00 N ATOM 1440 CA MET A 89 3.339 3.872 -15.095 1.00 0.00 C ATOM 1441 C MET A 89 2.165 3.173 -14.407 1.00 0.00 C ATOM 1442 O MET A 89 2.150 1.949 -14.288 1.00 0.00 O ATOM 1443 CB MET A 89 4.115 4.698 -14.067 1.00 0.00 C ATOM 1444 CG MET A 89 4.942 3.795 -13.150 1.00 0.00 C ATOM 1445 SD MET A 89 4.346 3.919 -11.472 1.00 0.00 S ATOM 1446 CE MET A 89 5.560 2.911 -10.636 1.00 0.00 C ATOM 0 H MET A 89 3.027 5.735 -16.002 1.00 0.00 H new ATOM 0 HA MET A 89 3.988 3.110 -15.527 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.772 5.400 -14.580 1.00 0.00 H new ATOM 0 HB3 MET A 89 3.420 5.289 -13.471 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.880 2.762 -13.491 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.992 4.083 -13.194 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.055 2.206 -9.976 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.147 2.362 -11.373 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.220 3.549 -10.049 1.00 0.00 H new ATOM 1456 N ILE A 90 1.209 3.981 -13.973 1.00 0.00 N ATOM 1457 CA ILE A 90 0.033 3.455 -13.300 1.00 0.00 C ATOM 1458 C ILE A 90 -0.524 2.277 -14.102 1.00 0.00 C ATOM 1459 O ILE A 90 -0.992 1.296 -13.527 1.00 0.00 O ATOM 1460 CB ILE A 90 -0.987 4.569 -13.055 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.489 5.543 -11.985 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.359 3.990 -12.709 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -0.479 6.979 -12.512 1.00 0.00 C ATOM 0 H ILE A 90 1.224 4.996 -14.074 1.00 0.00 H new ATOM 0 HA ILE A 90 0.297 3.073 -12.314 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.101 5.136 -13.979 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.128 5.480 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.516 5.260 -11.670 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.065 4.803 -12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.711 3.370 -13.534 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.281 3.384 -11.807 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.121 7.650 -11.732 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.180 7.044 -13.378 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.489 7.267 -12.803 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.455 2.413 -15.418 1.00 0.00 N ATOM 1476 CA GLN A 91 -0.946 1.372 -16.305 1.00 0.00 C ATOM 1477 C GLN A 91 -0.140 0.086 -16.112 1.00 0.00 C ATOM 1478 O GLN A 91 -0.700 -0.959 -15.786 1.00 0.00 O ATOM 1479 CB GLN A 91 -0.906 1.831 -17.764 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.209 2.532 -18.154 1.00 0.00 C ATOM 1481 CD GLN A 91 -2.926 1.773 -19.273 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -3.039 0.559 -19.261 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -3.401 2.555 -20.238 1.00 0.00 N ATOM 0 H GLN A 91 -0.066 3.229 -15.892 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.986 1.167 -16.052 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.066 2.509 -17.913 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.742 0.972 -18.415 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.861 2.606 -17.284 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.995 3.550 -18.479 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.271 3.565 -20.186 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.895 2.144 -21.030 1.00 0.00 H new ATOM 1492 N GLU A 92 1.163 0.206 -16.321 1.00 0.00 N ATOM 1493 CA GLU A 92 2.052 -0.934 -16.174 1.00 0.00 C ATOM 1494 C GLU A 92 1.764 -1.667 -14.862 1.00 0.00 C ATOM 1495 O GLU A 92 1.677 -2.893 -14.838 1.00 0.00 O ATOM 1496 CB GLU A 92 3.517 -0.500 -16.249 1.00 0.00 C ATOM 1497 CG GLU A 92 4.320 -1.433 -17.158 1.00 0.00 C ATOM 1498 CD GLU A 92 5.775 -1.532 -16.696 1.00 0.00 C ATOM 1499 OE1 GLU A 92 5.986 -1.450 -15.466 1.00 0.00 O ATOM 1500 OE2 GLU A 92 6.643 -1.687 -17.582 1.00 0.00 O ATOM 0 H GLU A 92 1.624 1.075 -16.591 1.00 0.00 H new ATOM 0 HA GLU A 92 1.868 -1.622 -16.999 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.579 0.521 -16.625 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.951 -0.498 -15.249 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.867 -2.424 -17.159 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.285 -1.066 -18.184 1.00 0.00 H new ATOM 1507 N SER A 93 1.623 -0.883 -13.803 1.00 0.00 N ATOM 1508 CA SER A 93 1.347 -1.442 -12.490 1.00 0.00 C ATOM 1509 C SER A 93 0.192 -2.441 -12.580 1.00 0.00 C ATOM 1510 O SER A 93 0.172 -3.439 -11.860 1.00 0.00 O ATOM 1511 CB SER A 93 1.019 -0.340 -11.481 1.00 0.00 C ATOM 1512 OG SER A 93 0.896 0.935 -12.104 1.00 0.00 O ATOM 0 H SER A 93 1.695 0.134 -13.827 1.00 0.00 H new ATOM 0 HA SER A 93 2.241 -1.960 -12.143 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.089 -0.584 -10.968 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.801 -0.299 -10.722 1.00 0.00 H new ATOM 0 HG SER A 93 -0.051 1.135 -12.256 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.743 -2.139 -13.469 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.898 -2.998 -13.662 1.00 0.00 C ATOM 1520 C LYS A 94 -1.439 -4.344 -14.228 1.00 0.00 C ATOM 1521 O LYS A 94 -1.710 -5.392 -13.645 1.00 0.00 O ATOM 1522 CB LYS A 94 -2.951 -2.296 -14.522 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.342 -2.423 -13.899 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.150 -3.529 -14.580 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.630 -3.154 -14.665 1.00 0.00 C ATOM 1526 NZ LYS A 94 -7.417 -4.275 -15.227 1.00 0.00 N ATOM 0 H LYS A 94 -0.724 -1.311 -14.064 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.384 -3.202 -12.708 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.693 -1.243 -14.632 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.956 -2.729 -15.522 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.249 -2.639 -12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.872 -1.474 -13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.758 -3.706 -15.582 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.039 -4.460 -14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.005 -2.900 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.752 -2.268 -15.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.420 -4.004 -15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.070 -4.499 -16.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.315 -5.111 -14.617 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.753 -4.270 -15.359 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.254 -5.469 -16.011 1.00 0.00 C ATOM 1542 C GLU A 95 0.801 -6.149 -15.136 1.00 0.00 C ATOM 1543 O GLU A 95 1.184 -7.290 -15.392 1.00 0.00 O ATOM 1544 CB GLU A 95 0.309 -5.146 -17.397 1.00 0.00 C ATOM 1545 CG GLU A 95 -0.739 -4.446 -18.264 1.00 0.00 C ATOM 1546 CD GLU A 95 -1.835 -5.423 -18.696 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -1.483 -6.395 -19.399 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -2.999 -5.175 -18.314 1.00 0.00 O ATOM 0 H GLU A 95 -0.531 -3.399 -15.841 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.087 -6.159 -16.145 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.188 -4.509 -17.297 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.635 -6.065 -17.884 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.182 -3.619 -17.709 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.260 -4.018 -19.145 1.00 0.00 H new ATOM 1555 N LEU A 96 1.242 -5.420 -14.121 1.00 0.00 N ATOM 1556 CA LEU A 96 2.245 -5.938 -13.207 1.00 0.00 C ATOM 1557 C LEU A 96 1.569 -6.843 -12.175 1.00 0.00 C ATOM 1558 O LEU A 96 2.226 -7.671 -11.545 1.00 0.00 O ATOM 1559 CB LEU A 96 3.048 -4.793 -12.588 1.00 0.00 C ATOM 1560 CG LEU A 96 4.440 -4.554 -13.178 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.410 -4.639 -14.705 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.023 -3.227 -12.688 1.00 0.00 C ATOM 0 H LEU A 96 0.923 -4.474 -13.912 1.00 0.00 H new ATOM 0 HA LEU A 96 2.969 -6.551 -13.744 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.470 -3.874 -12.688 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.156 -4.987 -11.521 1.00 0.00 H new ATOM 0 HG LEU A 96 5.101 -5.345 -12.825 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.411 -4.465 -15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.068 -5.629 -15.008 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.730 -3.884 -15.098 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.012 -3.082 -13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.370 -2.409 -12.991 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.103 -3.244 -11.601 1.00 0.00 H new ATOM 1574 N GLY A 97 0.265 -6.655 -12.034 1.00 0.00 N ATOM 1575 CA GLY A 97 -0.507 -7.444 -11.089 1.00 0.00 C ATOM 1576 C GLY A 97 -0.735 -6.673 -9.787 1.00 0.00 C ATOM 1577 O GLY A 97 -0.904 -7.273 -8.727 1.00 0.00 O ATOM 0 H GLY A 97 -0.276 -5.968 -12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.467 -7.710 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.015 -8.377 -10.877 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.731 -5.353 -9.911 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.936 -4.494 -8.757 1.00 0.00 C ATOM 1583 C ALA A 98 -2.402 -4.566 -8.326 1.00 0.00 C ATOM 1584 O ALA A 98 -3.252 -5.037 -9.080 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.498 -3.068 -9.099 1.00 0.00 C ATOM 0 H ALA A 98 -0.589 -4.858 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.329 -4.829 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.651 -2.423 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.558 -3.067 -9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.088 -2.697 -9.937 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.653 -4.093 -7.114 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.002 -4.098 -6.573 1.00 0.00 C ATOM 1593 C LEU A 99 -4.841 -3.043 -7.297 1.00 0.00 C ATOM 1594 O LEU A 99 -5.936 -3.335 -7.773 1.00 0.00 O ATOM 1595 CB LEU A 99 -3.970 -3.923 -5.054 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.340 -5.068 -4.259 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -4.298 -6.258 -4.159 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -1.988 -5.469 -4.853 1.00 0.00 C ATOM 0 H LEU A 99 -1.945 -3.704 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.480 -5.061 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.426 -3.006 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.992 -3.783 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.154 -4.718 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.826 -7.058 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.214 -5.947 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.537 -6.618 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.562 -6.285 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.126 -5.794 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.312 -4.614 -4.829 1.00 0.00 H new ATOM 1610 N THR A 100 -4.294 -1.837 -7.356 1.00 0.00 N ATOM 1611 CA THR A 100 -4.979 -0.737 -8.014 1.00 0.00 C ATOM 1612 C THR A 100 -4.065 0.488 -8.094 1.00 0.00 C ATOM 1613 O THR A 100 -2.859 0.382 -7.879 1.00 0.00 O ATOM 1614 CB THR A 100 -6.283 -0.473 -7.259 1.00 0.00 C ATOM 1615 OG1 THR A 100 -6.902 0.580 -7.993 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.046 0.128 -5.872 1.00 0.00 C ATOM 0 H THR A 100 -3.385 -1.598 -6.959 1.00 0.00 H new ATOM 0 HA THR A 100 -5.228 -0.986 -9.045 1.00 0.00 H new ATOM 0 HB THR A 100 -6.840 -1.405 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.756 0.813 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.004 0.296 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.446 -0.559 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.519 1.077 -5.972 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.676 1.622 -8.406 1.00 0.00 N ATOM 1625 CA HIS A 101 -3.932 2.865 -8.517 1.00 0.00 C ATOM 1626 C HIS A 101 -4.810 4.031 -8.057 1.00 0.00 C ATOM 1627 O HIS A 101 -5.868 4.280 -8.631 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.396 3.052 -9.938 1.00 0.00 C ATOM 1629 CG HIS A 101 -3.023 1.762 -10.628 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -2.066 0.836 -10.331 1.00 0.00 N flip ATOM 1631 CD2 HIS A 101 -3.666 1.307 -11.766 1.00 0.00 C flip ATOM 1632 CE1 HIS A 101 -2.123 -0.132 -11.236 1.00 0.00 C flip ATOM 1633 NE2 HIS A 101 -3.114 0.158 -12.128 1.00 0.00 N flip ATOM 0 H HIS A 101 -5.677 1.706 -8.585 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.060 2.831 -7.863 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.149 3.567 -10.535 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.520 3.700 -9.903 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -1.417 0.881 -9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.480 1.804 -12.273 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.489 -1.006 -11.263 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.337 4.714 -7.025 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.065 5.847 -6.480 1.00 0.00 C ATOM 1643 C PHE A 102 -4.399 7.167 -6.874 1.00 0.00 C ATOM 1644 O PHE A 102 -3.202 7.204 -7.153 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.033 5.709 -4.957 1.00 0.00 C ATOM 1646 CG PHE A 102 -5.669 4.418 -4.436 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -6.729 3.871 -5.088 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.174 3.819 -3.320 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.320 2.673 -4.605 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -5.764 2.621 -2.836 1.00 0.00 C ATOM 1651 CZ PHE A 102 -6.825 2.074 -3.489 1.00 0.00 C ATOM 0 H PHE A 102 -3.458 4.504 -6.552 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.084 5.855 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.997 5.754 -4.620 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.549 6.561 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.122 4.348 -5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.332 4.254 -2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.162 2.238 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.371 2.145 -1.950 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.274 1.164 -3.121 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.205 8.219 -6.885 1.00 0.00 N ATOM 1662 CA ALA A 103 -4.709 9.538 -7.240 1.00 0.00 C ATOM 1663 C ALA A 103 -4.546 10.376 -5.971 1.00 0.00 C ATOM 1664 O ALA A 103 -5.326 10.241 -5.029 1.00 0.00 O ATOM 1665 CB ALA A 103 -5.659 10.186 -8.249 1.00 0.00 C ATOM 0 H ALA A 103 -6.198 8.185 -6.654 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.730 9.465 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.287 11.175 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.716 9.567 -9.144 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.651 10.278 -7.807 1.00 0.00 H new ATOM 1671 N LYS A 104 -3.527 11.223 -5.986 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.251 12.083 -4.848 1.00 0.00 C ATOM 1673 C LYS A 104 -4.527 12.250 -4.020 1.00 0.00 C ATOM 1674 O LYS A 104 -4.565 11.877 -2.849 1.00 0.00 O ATOM 1675 CB LYS A 104 -2.641 13.407 -5.311 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.193 13.539 -4.835 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.785 15.010 -4.724 1.00 0.00 C ATOM 1678 CE LYS A 104 0.244 15.375 -5.796 1.00 0.00 C ATOM 1679 NZ LYS A 104 -0.426 15.651 -7.086 1.00 0.00 N ATOM 0 H LYS A 104 -2.882 11.332 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.505 11.626 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.677 13.468 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.232 14.238 -4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.079 13.052 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.529 13.025 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.665 15.644 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.369 15.202 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.812 16.250 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.957 14.559 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.108 15.203 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.392 15.266 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.466 16.678 -7.244 1.00 0.00 H new ATOM 1693 N PRO A 105 -5.568 12.827 -4.679 1.00 0.00 N ATOM 1694 CA PRO A 105 -6.842 13.049 -4.017 1.00 0.00 C ATOM 1695 C PRO A 105 -7.618 11.739 -3.868 1.00 0.00 C ATOM 1696 O PRO A 105 -8.377 11.358 -4.757 1.00 0.00 O ATOM 1697 CB PRO A 105 -7.562 14.071 -4.882 1.00 0.00 C ATOM 1698 CG PRO A 105 -6.869 14.035 -6.234 1.00 0.00 C ATOM 1699 CD PRO A 105 -5.559 13.282 -6.066 1.00 0.00 C ATOM 0 HA PRO A 105 -6.728 13.419 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.620 13.825 -4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.505 15.066 -4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.500 13.543 -6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.684 15.047 -6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.494 12.442 -6.758 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.703 13.927 -6.266 1.00 0.00 H new ATOM 1707 N PHE A 106 -7.400 11.084 -2.737 1.00 0.00 N ATOM 1708 CA PHE A 106 -8.069 9.825 -2.460 1.00 0.00 C ATOM 1709 C PHE A 106 -8.720 9.843 -1.075 1.00 0.00 C ATOM 1710 O PHE A 106 -8.284 10.577 -0.190 1.00 0.00 O ATOM 1711 CB PHE A 106 -6.998 8.733 -2.492 1.00 0.00 C ATOM 1712 CG PHE A 106 -5.593 9.229 -2.147 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -5.377 9.910 -0.989 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -4.559 8.989 -2.997 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -4.073 10.370 -0.669 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -3.254 9.449 -2.677 1.00 0.00 C ATOM 1717 CZ PHE A 106 -3.039 10.130 -1.519 1.00 0.00 C ATOM 0 H PHE A 106 -6.769 11.402 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 106 -8.852 9.650 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -7.276 7.945 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -6.980 8.285 -3.485 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.198 10.100 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.730 8.448 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.902 10.911 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.433 9.258 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 106 -2.047 10.480 -1.275 1.00 0.00 H new ATOM 1727 N ASP A 107 -9.753 9.026 -0.932 1.00 0.00 N ATOM 1728 CA ASP A 107 -10.469 8.938 0.330 1.00 0.00 C ATOM 1729 C ASP A 107 -10.283 7.539 0.921 1.00 0.00 C ATOM 1730 O ASP A 107 -10.300 6.547 0.193 1.00 0.00 O ATOM 1731 CB ASP A 107 -11.968 9.173 0.131 1.00 0.00 C ATOM 1732 CG ASP A 107 -12.584 10.232 1.046 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -12.275 10.185 2.256 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -13.350 11.065 0.515 1.00 0.00 O ATOM 0 H ASP A 107 -10.112 8.419 -1.669 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.070 9.702 0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.140 9.465 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.492 8.230 0.288 1.00 0.00 H new ATOM 1739 N ILE A 108 -10.112 7.504 2.234 1.00 0.00 N ATOM 1740 CA ILE A 108 -9.923 6.243 2.930 1.00 0.00 C ATOM 1741 C ILE A 108 -11.179 5.384 2.769 1.00 0.00 C ATOM 1742 O ILE A 108 -11.086 4.182 2.523 1.00 0.00 O ATOM 1743 CB ILE A 108 -9.530 6.490 4.388 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -8.239 5.748 4.741 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -10.677 6.127 5.334 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -8.445 4.233 4.685 1.00 0.00 C ATOM 0 H ILE A 108 -10.100 8.329 2.834 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.096 5.685 2.491 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.334 7.555 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.448 6.037 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.910 6.037 5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.372 6.312 6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.549 6.737 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.928 5.073 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.513 3.729 4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.219 3.945 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.750 3.944 3.679 1.00 0.00 H new ATOM 1758 N ASP A 109 -12.325 6.033 2.915 1.00 0.00 N ATOM 1759 CA ASP A 109 -13.597 5.344 2.788 1.00 0.00 C ATOM 1760 C ASP A 109 -13.588 4.494 1.516 1.00 0.00 C ATOM 1761 O ASP A 109 -14.095 3.373 1.510 1.00 0.00 O ATOM 1762 CB ASP A 109 -14.755 6.339 2.683 1.00 0.00 C ATOM 1763 CG ASP A 109 -16.069 5.871 3.312 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -15.987 5.193 4.359 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -17.125 6.201 2.731 1.00 0.00 O ATOM 0 H ASP A 109 -12.399 7.029 3.120 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.733 4.724 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.455 7.274 3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.932 6.558 1.630 1.00 0.00 H new ATOM 1770 N GLU A 110 -13.005 5.060 0.469 1.00 0.00 N ATOM 1771 CA GLU A 110 -12.923 4.368 -0.806 1.00 0.00 C ATOM 1772 C GLU A 110 -11.939 3.201 -0.715 1.00 0.00 C ATOM 1773 O GLU A 110 -12.193 2.126 -1.255 1.00 0.00 O ATOM 1774 CB GLU A 110 -12.529 5.331 -1.928 1.00 0.00 C ATOM 1775 CG GLU A 110 -13.155 6.711 -1.712 1.00 0.00 C ATOM 1776 CD GLU A 110 -13.974 7.138 -2.932 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -13.539 6.800 -4.054 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -15.016 7.793 -2.715 1.00 0.00 O ATOM 0 H GLU A 110 -12.585 5.990 0.478 1.00 0.00 H new ATOM 0 HA GLU A 110 -13.909 3.968 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.444 5.423 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -12.851 4.928 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -13.794 6.690 -0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.371 7.444 -1.521 1.00 0.00 H new ATOM 1785 N ILE A 111 -10.835 3.452 -0.026 1.00 0.00 N ATOM 1786 CA ILE A 111 -9.811 2.435 0.143 1.00 0.00 C ATOM 1787 C ILE A 111 -10.349 1.321 1.043 1.00 0.00 C ATOM 1788 O ILE A 111 -9.863 0.192 0.997 1.00 0.00 O ATOM 1789 CB ILE A 111 -8.512 3.063 0.652 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -7.730 3.710 -0.493 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -7.669 2.038 1.414 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -6.524 4.488 0.038 1.00 0.00 C ATOM 0 H ILE A 111 -10.628 4.345 0.422 1.00 0.00 H new ATOM 0 HA ILE A 111 -9.564 1.980 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 111 -8.769 3.856 1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.394 2.941 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -8.383 4.381 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.751 2.510 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.234 1.665 2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.420 1.208 0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.985 4.938 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.866 5.272 0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.861 3.809 0.574 1.00 0.00 H new ATOM 1804 N ARG A 112 -11.346 1.677 1.840 1.00 0.00 N ATOM 1805 CA ARG A 112 -11.956 0.721 2.749 1.00 0.00 C ATOM 1806 C ARG A 112 -12.782 -0.302 1.967 1.00 0.00 C ATOM 1807 O ARG A 112 -13.089 -1.379 2.477 1.00 0.00 O ATOM 1808 CB ARG A 112 -12.857 1.424 3.765 1.00 0.00 C ATOM 1809 CG ARG A 112 -12.069 2.457 4.574 1.00 0.00 C ATOM 1810 CD ARG A 112 -12.465 2.412 6.052 1.00 0.00 C ATOM 1811 NE ARG A 112 -13.477 3.454 6.336 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.767 3.904 7.564 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -13.123 3.407 8.629 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -14.701 4.851 7.728 1.00 0.00 N ATOM 0 H ARG A 112 -11.747 2.614 1.875 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.153 0.213 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.682 1.914 3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -13.296 0.688 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.001 2.265 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.253 3.454 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.864 1.429 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.586 2.567 6.678 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.985 3.854 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.412 2.686 8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -13.344 3.750 9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.191 5.229 6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.921 5.193 8.663 1.00 0.00 H new ATOM 1828 N ASP A 113 -13.119 0.069 0.740 1.00 0.00 N ATOM 1829 CA ASP A 113 -13.904 -0.803 -0.117 1.00 0.00 C ATOM 1830 C ASP A 113 -12.995 -1.884 -0.706 1.00 0.00 C ATOM 1831 O ASP A 113 -13.317 -3.069 -0.648 1.00 0.00 O ATOM 1832 CB ASP A 113 -14.523 -0.022 -1.278 1.00 0.00 C ATOM 1833 CG ASP A 113 -16.044 -0.139 -1.397 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -16.726 0.372 -0.483 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -16.490 -0.736 -2.401 1.00 0.00 O ATOM 0 H ASP A 113 -12.862 0.962 0.319 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.698 -1.243 0.486 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.262 1.031 -1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -14.073 -0.367 -2.209 1.00 0.00 H new ATOM 1840 N ALA A 114 -11.878 -1.436 -1.260 1.00 0.00 N ATOM 1841 CA ALA A 114 -10.921 -2.350 -1.859 1.00 0.00 C ATOM 1842 C ALA A 114 -10.359 -3.274 -0.777 1.00 0.00 C ATOM 1843 O ALA A 114 -10.199 -4.473 -1.001 1.00 0.00 O ATOM 1844 CB ALA A 114 -9.826 -1.551 -2.569 1.00 0.00 C ATOM 0 H ALA A 114 -11.614 -0.452 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.406 -2.976 -2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.108 -2.237 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.273 -0.933 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.315 -0.913 -1.848 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.074 -2.681 0.373 1.00 0.00 N ATOM 1851 CA VAL A 115 -9.533 -3.436 1.491 1.00 0.00 C ATOM 1852 C VAL A 115 -10.611 -4.373 2.037 1.00 0.00 C ATOM 1853 O VAL A 115 -10.332 -5.528 2.356 1.00 0.00 O ATOM 1854 CB VAL A 115 -8.979 -2.480 2.549 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -8.616 -3.232 3.831 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -7.777 -1.702 2.011 1.00 0.00 C ATOM 0 H VAL A 115 -10.207 -1.686 0.555 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.698 -4.057 1.165 1.00 0.00 H new ATOM 0 HB VAL A 115 -9.761 -1.761 2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -8.225 -2.529 4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -9.505 -3.719 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.859 -3.984 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -7.403 -1.030 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.990 -2.400 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -8.080 -1.121 1.140 1.00 0.00 H new