USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 609 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 52 LYS NZ :NH3+ -125:sc= 0.912 (180deg=-0.254) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= 0.992 USER MOD Set 2.1: A 67 THR OG1 : rot -122:sc= -0.53 USER MOD Set 2.2: A 70 GLN : amide:sc= 0.467 K(o=-0.062,f=-4) USER MOD Single : A 1 ALA N :NH3+ -176:sc= 1.22 (180deg=1.17) USER MOD Single : A 5 LYS NZ :NH3+ -111:sc= -0.933 (180deg=-5.69!) USER MOD Single : A 14 HIS : no HD1:sc= -0.892 K(o=-0.89,f=-1.8) USER MOD Single : A 20 LYS NZ :NH3+ -104:sc= -5.52! (180deg=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.12) USER MOD Single : A 30 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.5) USER MOD Single : A 36 CYS SG : rot 180:sc= -0.496 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -3.54! C(o=-3.5!,f=-3.8!) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= -0.315 (180deg=-0.622) USER MOD Single : A 49 SER OG : rot -160:sc= -0.0698 USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -15.5! (180deg=-17.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 46:sc= 0.0975 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.011 -11.983 1.594 1.00 0.00 N ATOM 2 CA ALA A 1 1.492 -11.802 3.000 1.00 0.00 C ATOM 3 C ALA A 1 1.168 -10.310 3.048 1.00 0.00 C ATOM 4 O ALA A 1 0.980 -9.787 1.972 1.00 0.00 O ATOM 5 CB ALA A 1 2.578 -12.146 4.118 1.00 0.00 C ATOM 0 H1 ALA A 1 2.204 -12.990 1.422 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.299 -11.646 0.915 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.888 -11.437 1.475 1.00 0.00 H new ATOM 0 HA ALA A 1 0.652 -12.465 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.143 -11.996 5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.891 -13.185 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.442 -11.493 3.999 1.00 0.00 H new ATOM 13 N PHE A 2 1.127 -9.731 4.229 1.00 0.00 N ATOM 14 CA PHE A 2 0.830 -8.283 4.474 1.00 0.00 C ATOM 15 C PHE A 2 0.180 -7.590 3.255 1.00 0.00 C ATOM 16 O PHE A 2 0.808 -7.241 2.266 1.00 0.00 O ATOM 17 CB PHE A 2 2.178 -7.672 4.882 1.00 0.00 C ATOM 18 CG PHE A 2 2.105 -6.228 5.419 1.00 0.00 C ATOM 19 CD1 PHE A 2 0.908 -5.558 5.620 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.290 -5.577 5.715 1.00 0.00 C ATOM 21 CE1 PHE A 2 0.901 -4.273 6.111 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.282 -4.290 6.206 1.00 0.00 C ATOM 23 CZ PHE A 2 2.086 -3.631 6.402 1.00 0.00 C ATOM 0 H PHE A 2 1.301 -10.248 5.091 1.00 0.00 H new ATOM 0 HA PHE A 2 0.083 -8.146 5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.630 -8.305 5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.843 -7.689 4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -0.026 -6.049 5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.231 -6.084 5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -0.038 -3.764 6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.214 -3.796 6.438 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.078 -2.620 6.781 1.00 0.00 H new ATOM 33 N GLU A 3 -1.090 -7.442 3.443 1.00 0.00 N ATOM 34 CA GLU A 3 -2.046 -6.836 2.501 1.00 0.00 C ATOM 35 C GLU A 3 -2.066 -5.309 2.573 1.00 0.00 C ATOM 36 O GLU A 3 -1.254 -4.679 3.214 1.00 0.00 O ATOM 37 CB GLU A 3 -3.453 -7.484 2.830 1.00 0.00 C ATOM 38 CG GLU A 3 -3.720 -7.569 4.384 1.00 0.00 C ATOM 39 CD GLU A 3 -2.950 -8.704 5.091 1.00 0.00 C ATOM 40 OE1 GLU A 3 -2.429 -9.572 4.407 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.907 -8.628 6.299 1.00 0.00 O ATOM 0 H GLU A 3 -1.541 -7.752 4.304 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.755 -7.041 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.241 -6.896 2.359 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.500 -8.484 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.447 -6.618 4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.788 -7.709 4.552 1.00 0.00 H new ATOM 48 N PHE A 4 -3.029 -4.766 1.887 1.00 0.00 N ATOM 49 CA PHE A 4 -3.198 -3.283 1.835 1.00 0.00 C ATOM 50 C PHE A 4 -4.176 -2.727 2.881 1.00 0.00 C ATOM 51 O PHE A 4 -3.821 -1.796 3.573 1.00 0.00 O ATOM 52 CB PHE A 4 -3.655 -2.915 0.385 1.00 0.00 C ATOM 53 CG PHE A 4 -3.991 -1.412 0.240 1.00 0.00 C ATOM 54 CD1 PHE A 4 -3.200 -0.428 0.814 1.00 0.00 C ATOM 55 CD2 PHE A 4 -5.103 -1.025 -0.489 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.515 0.906 0.661 1.00 0.00 C ATOM 57 CE2 PHE A 4 -5.413 0.308 -0.640 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.621 1.277 -0.063 1.00 0.00 C ATOM 0 H PHE A 4 -3.719 -5.292 1.351 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.243 -2.820 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.867 -3.179 -0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.530 -3.508 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.329 -0.709 1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.733 -1.776 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.889 1.662 1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.282 0.596 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.869 2.322 -0.180 1.00 0.00 H new ATOM 68 N LYS A 5 -5.364 -3.253 3.021 1.00 0.00 N ATOM 69 CA LYS A 5 -6.293 -2.697 4.048 1.00 0.00 C ATOM 70 C LYS A 5 -6.657 -3.951 4.846 1.00 0.00 C ATOM 71 O LYS A 5 -6.418 -5.052 4.391 1.00 0.00 O ATOM 72 CB LYS A 5 -7.584 -2.117 3.412 1.00 0.00 C ATOM 73 CG LYS A 5 -7.294 -1.189 2.174 1.00 0.00 C ATOM 74 CD LYS A 5 -6.633 0.194 2.526 1.00 0.00 C ATOM 75 CE LYS A 5 -7.562 1.158 3.325 1.00 0.00 C ATOM 76 NZ LYS A 5 -8.862 1.375 2.612 1.00 0.00 N ATOM 0 H LYS A 5 -5.728 -4.034 2.476 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.848 -1.884 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.230 -2.938 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.130 -1.549 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.641 -1.722 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.231 -1.005 1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.728 0.015 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.327 0.684 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.752 0.745 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.060 2.114 3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.907 2.354 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.932 0.717 1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.651 1.205 3.268 1.00 0.00 H new ATOM 90 N LEU A 6 -7.237 -3.739 5.990 1.00 0.00 N ATOM 91 CA LEU A 6 -7.644 -4.860 6.880 1.00 0.00 C ATOM 92 C LEU A 6 -9.171 -4.931 6.731 1.00 0.00 C ATOM 93 O LEU A 6 -9.720 -4.172 5.956 1.00 0.00 O ATOM 94 CB LEU A 6 -7.193 -4.465 8.296 1.00 0.00 C ATOM 95 CG LEU A 6 -5.642 -4.238 8.334 1.00 0.00 C ATOM 96 CD1 LEU A 6 -5.239 -3.590 9.677 1.00 0.00 C ATOM 97 CD2 LEU A 6 -4.878 -5.580 8.145 1.00 0.00 C ATOM 0 H LEU A 6 -7.452 -2.811 6.356 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.212 -5.834 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.707 -3.556 8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.470 -5.247 9.004 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.373 -3.572 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.160 -3.435 9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.745 -2.631 9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.526 -4.246 10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.804 -5.395 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.150 -6.269 8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.144 -6.018 7.183 1.00 0.00 H new ATOM 109 N PRO A 7 -9.843 -5.812 7.434 1.00 0.00 N ATOM 110 CA PRO A 7 -11.329 -5.795 7.493 1.00 0.00 C ATOM 111 C PRO A 7 -11.848 -4.399 7.918 1.00 0.00 C ATOM 112 O PRO A 7 -11.904 -4.088 9.092 1.00 0.00 O ATOM 113 CB PRO A 7 -11.674 -6.939 8.474 1.00 0.00 C ATOM 114 CG PRO A 7 -10.465 -7.918 8.287 1.00 0.00 C ATOM 115 CD PRO A 7 -9.273 -6.932 8.241 1.00 0.00 C ATOM 0 HA PRO A 7 -11.816 -5.961 6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.754 -6.583 9.501 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.623 -7.414 8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.380 -8.626 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.549 -8.503 7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.971 -6.607 9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.395 -7.372 7.769 1.00 0.00 H new ATOM 123 N ASP A 8 -12.191 -3.639 6.918 1.00 0.00 N ATOM 124 CA ASP A 8 -12.724 -2.260 7.018 1.00 0.00 C ATOM 125 C ASP A 8 -14.042 -2.457 6.290 1.00 0.00 C ATOM 126 O ASP A 8 -14.950 -2.976 6.909 1.00 0.00 O ATOM 127 CB ASP A 8 -11.783 -1.317 6.258 1.00 0.00 C ATOM 128 CG ASP A 8 -12.239 0.135 6.073 1.00 0.00 C ATOM 129 OD1 ASP A 8 -13.406 0.390 6.313 1.00 0.00 O ATOM 130 OD2 ASP A 8 -11.360 0.887 5.666 1.00 0.00 O ATOM 0 H ASP A 8 -12.113 -3.956 5.952 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.825 -1.833 8.016 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.825 -1.306 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.605 -1.743 5.271 1.00 0.00 H new ATOM 135 N ILE A 9 -14.113 -2.089 5.032 1.00 0.00 N ATOM 136 CA ILE A 9 -15.373 -2.232 4.212 1.00 0.00 C ATOM 137 C ILE A 9 -16.587 -1.987 5.142 1.00 0.00 C ATOM 138 O ILE A 9 -17.594 -2.673 5.082 1.00 0.00 O ATOM 139 CB ILE A 9 -15.448 -3.709 3.551 1.00 0.00 C ATOM 140 CG1 ILE A 9 -15.319 -4.855 4.613 1.00 0.00 C ATOM 141 CG2 ILE A 9 -14.325 -3.877 2.485 1.00 0.00 C ATOM 142 CD1 ILE A 9 -15.540 -6.240 3.946 1.00 0.00 C ATOM 0 H ILE A 9 -13.330 -1.683 4.520 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.378 -1.505 3.400 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.431 -3.793 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.333 -4.821 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.050 -4.707 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.385 -4.873 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.451 -3.129 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.352 -3.747 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.447 -7.025 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.536 -6.276 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.792 -6.392 3.168 1.00 0.00 H new ATOM 154 N GLY A 10 -16.439 -0.992 5.972 1.00 0.00 N ATOM 155 CA GLY A 10 -17.506 -0.634 6.936 1.00 0.00 C ATOM 156 C GLY A 10 -17.956 0.814 6.846 1.00 0.00 C ATOM 157 O GLY A 10 -18.141 1.361 5.777 1.00 0.00 O ATOM 0 H GLY A 10 -15.607 -0.404 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.366 -1.283 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.150 -0.831 7.947 1.00 0.00 H new ATOM 161 N GLU A 11 -18.129 1.397 8.000 1.00 0.00 N ATOM 162 CA GLU A 11 -18.563 2.800 8.128 1.00 0.00 C ATOM 163 C GLU A 11 -17.301 3.561 8.524 1.00 0.00 C ATOM 164 O GLU A 11 -16.456 3.037 9.227 1.00 0.00 O ATOM 165 CB GLU A 11 -19.592 2.833 9.221 1.00 0.00 C ATOM 166 CG GLU A 11 -20.886 2.078 8.836 1.00 0.00 C ATOM 167 CD GLU A 11 -21.891 2.092 9.999 1.00 0.00 C ATOM 168 OE1 GLU A 11 -21.571 2.660 11.031 1.00 0.00 O ATOM 169 OE2 GLU A 11 -22.936 1.519 9.769 1.00 0.00 O ATOM 0 H GLU A 11 -17.978 0.929 8.893 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.999 3.231 7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.172 2.391 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.835 3.869 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.334 2.540 7.956 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.646 1.049 8.569 1.00 0.00 H new ATOM 176 N GLY A 12 -17.206 4.774 8.072 1.00 0.00 N ATOM 177 CA GLY A 12 -16.019 5.606 8.397 1.00 0.00 C ATOM 178 C GLY A 12 -15.313 5.736 7.068 1.00 0.00 C ATOM 179 O GLY A 12 -15.402 6.761 6.428 1.00 0.00 O ATOM 0 H GLY A 12 -17.905 5.230 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.306 6.578 8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.385 5.129 9.144 1.00 0.00 H new ATOM 183 N ILE A 13 -14.654 4.690 6.684 1.00 0.00 N ATOM 184 CA ILE A 13 -13.914 4.680 5.401 1.00 0.00 C ATOM 185 C ILE A 13 -14.363 3.370 4.741 1.00 0.00 C ATOM 186 O ILE A 13 -15.084 2.598 5.342 1.00 0.00 O ATOM 187 CB ILE A 13 -12.408 4.702 5.703 1.00 0.00 C ATOM 188 CG1 ILE A 13 -11.960 5.958 6.535 1.00 0.00 C ATOM 189 CG2 ILE A 13 -11.524 4.585 4.431 1.00 0.00 C ATOM 190 CD1 ILE A 13 -12.168 7.267 5.742 1.00 0.00 C ATOM 0 H ILE A 13 -14.595 3.822 7.216 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.107 5.534 4.752 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.250 3.812 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.527 6.001 7.465 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.909 5.859 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.472 4.607 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.742 3.647 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.736 5.419 3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.848 8.114 6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.580 7.234 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.223 7.378 5.493 1.00 0.00 H new ATOM 202 N HIS A 14 -13.947 3.188 3.526 1.00 0.00 N ATOM 203 CA HIS A 14 -14.295 1.958 2.767 1.00 0.00 C ATOM 204 C HIS A 14 -13.212 1.744 1.705 1.00 0.00 C ATOM 205 O HIS A 14 -12.868 0.642 1.317 1.00 0.00 O ATOM 206 CB HIS A 14 -15.680 2.138 2.115 1.00 0.00 C ATOM 207 CG HIS A 14 -16.090 0.803 1.499 1.00 0.00 C ATOM 208 ND1 HIS A 14 -15.542 0.270 0.457 1.00 0.00 N ATOM 209 CD2 HIS A 14 -17.067 -0.102 1.878 1.00 0.00 C ATOM 210 CE1 HIS A 14 -16.108 -0.869 0.202 1.00 0.00 C ATOM 211 NE2 HIS A 14 -17.064 -1.132 1.063 1.00 0.00 N ATOM 0 H HIS A 14 -13.368 3.853 3.014 1.00 0.00 H new ATOM 0 HA HIS A 14 -14.341 1.088 3.422 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -16.412 2.456 2.858 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.643 2.915 1.351 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -17.733 0.021 2.719 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -15.829 -1.518 -0.614 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -17.669 -1.953 1.092 1.00 0.00 H new ATOM 219 N GLU A 15 -12.712 2.845 1.232 1.00 0.00 N ATOM 220 CA GLU A 15 -11.646 2.880 0.193 1.00 0.00 C ATOM 221 C GLU A 15 -10.356 3.516 0.676 1.00 0.00 C ATOM 222 O GLU A 15 -10.098 3.682 1.854 1.00 0.00 O ATOM 223 CB GLU A 15 -12.266 3.635 -0.992 1.00 0.00 C ATOM 224 CG GLU A 15 -12.913 4.968 -0.529 1.00 0.00 C ATOM 225 CD GLU A 15 -14.395 4.846 -0.875 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.705 5.001 -2.043 1.00 0.00 O ATOM 227 OE2 GLU A 15 -15.105 4.586 0.077 1.00 0.00 O ATOM 0 H GLU A 15 -13.014 3.770 1.538 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.340 1.871 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.498 3.840 -1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.019 3.009 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.771 5.122 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.461 5.820 -1.036 1.00 0.00 H new ATOM 234 N GLY A 16 -9.540 3.819 -0.278 1.00 0.00 N ATOM 235 CA GLY A 16 -8.200 4.468 -0.082 1.00 0.00 C ATOM 236 C GLY A 16 -8.022 5.318 -1.337 1.00 0.00 C ATOM 237 O GLY A 16 -8.169 4.763 -2.408 1.00 0.00 O ATOM 0 H GLY A 16 -9.753 3.634 -1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.179 5.078 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.407 3.727 0.015 1.00 0.00 H new ATOM 241 N GLU A 17 -7.715 6.586 -1.251 1.00 0.00 N ATOM 242 CA GLU A 17 -7.551 7.401 -2.484 1.00 0.00 C ATOM 243 C GLU A 17 -6.046 7.527 -2.553 1.00 0.00 C ATOM 244 O GLU A 17 -5.475 8.435 -1.983 1.00 0.00 O ATOM 245 CB GLU A 17 -8.270 8.733 -2.233 1.00 0.00 C ATOM 246 CG GLU A 17 -8.502 9.501 -3.543 1.00 0.00 C ATOM 247 CD GLU A 17 -9.365 10.728 -3.252 1.00 0.00 C ATOM 248 OE1 GLU A 17 -10.432 10.503 -2.703 1.00 0.00 O ATOM 249 OE2 GLU A 17 -8.903 11.798 -3.598 1.00 0.00 O ATOM 0 H GLU A 17 -7.571 7.091 -0.376 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.960 7.005 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.227 8.545 -1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.679 9.344 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.549 9.805 -3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.994 8.859 -4.274 1.00 0.00 H new ATOM 256 N ILE A 18 -5.424 6.618 -3.241 1.00 0.00 N ATOM 257 CA ILE A 18 -3.966 6.626 -3.372 1.00 0.00 C ATOM 258 C ILE A 18 -3.704 7.625 -4.479 1.00 0.00 C ATOM 259 O ILE A 18 -3.990 7.393 -5.638 1.00 0.00 O ATOM 260 CB ILE A 18 -3.557 5.209 -3.740 1.00 0.00 C ATOM 261 CG1 ILE A 18 -4.153 4.185 -2.731 1.00 0.00 C ATOM 262 CG2 ILE A 18 -2.082 5.180 -3.691 1.00 0.00 C ATOM 263 CD1 ILE A 18 -5.036 3.194 -3.484 1.00 0.00 C ATOM 0 H ILE A 18 -5.889 5.852 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.407 6.907 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.928 4.937 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.352 3.657 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.735 4.704 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.729 4.181 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.680 5.901 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.746 5.436 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.456 2.474 -2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.844 3.731 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.439 2.668 -4.229 1.00 0.00 H new ATOM 275 N VAL A 19 -3.142 8.713 -4.070 1.00 0.00 N ATOM 276 CA VAL A 19 -2.836 9.786 -5.022 1.00 0.00 C ATOM 277 C VAL A 19 -1.453 9.502 -5.564 1.00 0.00 C ATOM 278 O VAL A 19 -1.232 9.602 -6.748 1.00 0.00 O ATOM 279 CB VAL A 19 -2.875 11.127 -4.267 1.00 0.00 C ATOM 280 CG1 VAL A 19 -2.993 12.307 -5.256 1.00 0.00 C ATOM 281 CG2 VAL A 19 -4.029 11.131 -3.243 1.00 0.00 C ATOM 0 H VAL A 19 -2.880 8.904 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.551 9.837 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.940 11.249 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.019 13.245 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.135 12.306 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.909 12.204 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.045 12.085 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.977 10.987 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.882 10.323 -2.526 1.00 0.00 H new ATOM 291 N LYS A 20 -0.549 9.170 -4.690 1.00 0.00 N ATOM 292 CA LYS A 20 0.849 8.881 -5.130 1.00 0.00 C ATOM 293 C LYS A 20 1.353 7.562 -4.536 1.00 0.00 C ATOM 294 O LYS A 20 0.807 7.077 -3.561 1.00 0.00 O ATOM 295 CB LYS A 20 1.593 10.050 -4.628 1.00 0.00 C ATOM 296 CG LYS A 20 3.053 10.286 -5.006 1.00 0.00 C ATOM 297 CD LYS A 20 3.631 11.227 -3.878 1.00 0.00 C ATOM 298 CE LYS A 20 2.915 12.634 -3.717 1.00 0.00 C ATOM 299 NZ LYS A 20 1.492 12.495 -3.271 1.00 0.00 N ATOM 0 H LYS A 20 -0.714 9.085 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 20 0.956 8.749 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.038 10.936 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.550 10.010 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.603 9.346 -5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.134 10.753 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.572 10.700 -2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.688 11.400 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.463 13.239 -2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.946 13.167 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.857 12.660 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.337 11.536 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.292 13.192 -2.526 1.00 0.00 H new ATOM 313 N TRP A 21 2.383 7.066 -5.162 1.00 0.00 N ATOM 314 CA TRP A 21 3.058 5.803 -4.759 1.00 0.00 C ATOM 315 C TRP A 21 4.488 6.271 -4.576 1.00 0.00 C ATOM 316 O TRP A 21 4.828 7.375 -4.959 1.00 0.00 O ATOM 317 CB TRP A 21 3.048 4.740 -5.858 1.00 0.00 C ATOM 318 CG TRP A 21 1.936 3.762 -5.553 1.00 0.00 C ATOM 319 CD1 TRP A 21 0.737 3.770 -6.174 1.00 0.00 C ATOM 320 CD2 TRP A 21 1.979 2.777 -4.628 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.112 2.777 -5.583 1.00 0.00 N ATOM 322 CE2 TRP A 21 0.767 2.119 -4.644 1.00 0.00 C ATOM 323 CE3 TRP A 21 2.979 2.369 -3.751 1.00 0.00 C ATOM 324 CZ2 TRP A 21 0.543 1.063 -3.791 1.00 0.00 C ATOM 325 CZ3 TRP A 21 2.746 1.301 -2.908 1.00 0.00 C ATOM 326 CH2 TRP A 21 1.532 0.654 -2.931 1.00 0.00 C ATOM 0 H TRP A 21 2.804 7.510 -5.978 1.00 0.00 H new ATOM 0 HA TRP A 21 2.578 5.343 -3.895 1.00 0.00 H new ATOM 0 HB2 TRP A 21 2.892 5.202 -6.833 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.008 4.225 -5.899 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.383 4.425 -6.956 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.842 2.524 -5.840 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.929 2.883 -3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.411 0.556 -3.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.519 0.972 -2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.356 -0.181 -2.269 1.00 0.00 H new ATOM 337 N PHE A 22 5.275 5.419 -4.000 1.00 0.00 N ATOM 338 CA PHE A 22 6.709 5.754 -3.763 1.00 0.00 C ATOM 339 C PHE A 22 7.559 4.697 -4.432 1.00 0.00 C ATOM 340 O PHE A 22 8.504 4.999 -5.130 1.00 0.00 O ATOM 341 CB PHE A 22 6.998 5.779 -2.259 1.00 0.00 C ATOM 342 CG PHE A 22 6.218 6.937 -1.598 1.00 0.00 C ATOM 343 CD1 PHE A 22 4.837 6.957 -1.592 1.00 0.00 C ATOM 344 CD2 PHE A 22 6.888 7.984 -0.997 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.140 7.987 -1.013 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.192 9.024 -0.410 1.00 0.00 C ATOM 347 CZ PHE A 22 4.808 9.029 -0.415 1.00 0.00 C ATOM 0 H PHE A 22 4.990 4.494 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 22 6.937 6.737 -4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.710 4.830 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.067 5.903 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.294 6.145 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.968 7.990 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.060 7.979 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.731 9.837 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.261 9.839 0.044 1.00 0.00 H new ATOM 357 N VAL A 23 7.202 3.469 -4.199 1.00 0.00 N ATOM 358 CA VAL A 23 7.978 2.357 -4.804 1.00 0.00 C ATOM 359 C VAL A 23 7.278 1.824 -6.050 1.00 0.00 C ATOM 360 O VAL A 23 6.207 2.255 -6.428 1.00 0.00 O ATOM 361 CB VAL A 23 8.149 1.255 -3.734 1.00 0.00 C ATOM 362 CG1 VAL A 23 8.678 2.005 -2.509 1.00 0.00 C ATOM 363 CG2 VAL A 23 6.827 0.520 -3.390 1.00 0.00 C ATOM 0 H VAL A 23 6.411 3.188 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 23 8.959 2.710 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 23 8.815 0.469 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.832 1.302 -1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.624 2.486 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.955 2.762 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.020 -0.240 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.101 1.237 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.430 0.046 -4.288 1.00 0.00 H new ATOM 373 N LYS A 24 7.953 0.878 -6.621 1.00 0.00 N ATOM 374 CA LYS A 24 7.501 0.187 -7.862 1.00 0.00 C ATOM 375 C LYS A 24 7.249 -1.278 -7.436 1.00 0.00 C ATOM 376 O LYS A 24 7.587 -1.621 -6.320 1.00 0.00 O ATOM 377 CB LYS A 24 8.658 0.310 -8.895 1.00 0.00 C ATOM 378 CG LYS A 24 9.838 -0.541 -8.324 1.00 0.00 C ATOM 379 CD LYS A 24 11.227 -0.016 -8.608 1.00 0.00 C ATOM 380 CE LYS A 24 11.704 -0.348 -10.038 1.00 0.00 C ATOM 381 NZ LYS A 24 13.195 -0.229 -10.052 1.00 0.00 N ATOM 0 H LYS A 24 8.845 0.535 -6.263 1.00 0.00 H new ATOM 0 HA LYS A 24 6.600 0.600 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.349 -0.059 -9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.955 1.351 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.714 -0.620 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.762 -1.550 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.239 1.065 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.926 -0.440 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.397 -1.355 -10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.258 0.336 -10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.573 -0.698 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.463 0.776 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.587 -0.682 -9.202 1.00 0.00 H new ATOM 395 N PRO A 25 6.700 -2.101 -8.291 1.00 0.00 N ATOM 396 CA PRO A 25 6.689 -3.565 -8.081 1.00 0.00 C ATOM 397 C PRO A 25 7.883 -4.212 -8.781 1.00 0.00 C ATOM 398 O PRO A 25 8.259 -3.762 -9.851 1.00 0.00 O ATOM 399 CB PRO A 25 5.360 -3.981 -8.656 1.00 0.00 C ATOM 400 CG PRO A 25 5.195 -3.035 -9.907 1.00 0.00 C ATOM 401 CD PRO A 25 5.983 -1.724 -9.546 1.00 0.00 C ATOM 0 HA PRO A 25 6.788 -3.873 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.357 -5.032 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.551 -3.845 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.597 -3.500 -10.807 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.144 -2.821 -10.102 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.676 -1.438 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.312 -0.879 -9.390 1.00 0.00 H new ATOM 409 N GLY A 26 8.446 -5.219 -8.182 1.00 0.00 N ATOM 410 CA GLY A 26 9.607 -5.893 -8.835 1.00 0.00 C ATOM 411 C GLY A 26 10.889 -5.573 -8.127 1.00 0.00 C ATOM 412 O GLY A 26 11.886 -6.205 -8.416 1.00 0.00 O ATOM 0 H GLY A 26 8.161 -5.604 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.450 -6.972 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.675 -5.578 -9.876 1.00 0.00 H new ATOM 416 N ASP A 27 10.852 -4.629 -7.220 1.00 0.00 N ATOM 417 CA ASP A 27 12.122 -4.277 -6.506 1.00 0.00 C ATOM 418 C ASP A 27 11.989 -4.791 -5.089 1.00 0.00 C ATOM 419 O ASP A 27 11.018 -5.443 -4.733 1.00 0.00 O ATOM 420 CB ASP A 27 12.317 -2.731 -6.528 1.00 0.00 C ATOM 421 CG ASP A 27 13.784 -2.349 -6.812 1.00 0.00 C ATOM 422 OD1 ASP A 27 14.602 -2.952 -6.144 1.00 0.00 O ATOM 423 OD2 ASP A 27 13.953 -1.482 -7.689 1.00 0.00 O ATOM 0 H ASP A 27 10.024 -4.099 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 27 12.992 -4.726 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.672 -2.293 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.010 -2.311 -5.570 1.00 0.00 H new ATOM 428 N GLU A 28 12.973 -4.494 -4.312 1.00 0.00 N ATOM 429 CA GLU A 28 13.012 -4.920 -2.898 1.00 0.00 C ATOM 430 C GLU A 28 13.051 -3.683 -2.033 1.00 0.00 C ATOM 431 O GLU A 28 13.329 -2.602 -2.507 1.00 0.00 O ATOM 432 CB GLU A 28 14.259 -5.806 -2.717 1.00 0.00 C ATOM 433 CG GLU A 28 15.204 -5.862 -4.005 1.00 0.00 C ATOM 434 CD GLU A 28 16.299 -6.949 -3.821 1.00 0.00 C ATOM 435 OE1 GLU A 28 16.641 -7.203 -2.690 1.00 0.00 O ATOM 436 OE2 GLU A 28 16.696 -7.534 -4.810 1.00 0.00 O ATOM 0 H GLU A 28 13.785 -3.952 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 28 12.134 -5.498 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.837 -5.435 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.941 -6.818 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.609 -6.081 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.670 -4.890 -4.166 1.00 0.00 H new ATOM 443 N VAL A 29 12.764 -3.869 -0.781 1.00 0.00 N ATOM 444 CA VAL A 29 12.766 -2.733 0.165 1.00 0.00 C ATOM 445 C VAL A 29 13.539 -3.161 1.412 1.00 0.00 C ATOM 446 O VAL A 29 13.928 -4.303 1.530 1.00 0.00 O ATOM 447 CB VAL A 29 11.280 -2.393 0.385 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.427 -3.641 0.772 1.00 0.00 C ATOM 449 CG2 VAL A 29 11.117 -1.267 1.382 1.00 0.00 C ATOM 0 H VAL A 29 12.525 -4.771 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 29 13.268 -1.830 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 29 10.891 -2.047 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.389 -3.342 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.485 -4.383 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.811 -4.072 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.057 -1.050 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.551 -1.562 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.625 -0.377 1.012 1.00 0.00 H new ATOM 459 N ASN A 30 13.732 -2.247 2.319 1.00 0.00 N ATOM 460 CA ASN A 30 14.509 -2.560 3.591 1.00 0.00 C ATOM 461 C ASN A 30 13.715 -2.457 4.894 1.00 0.00 C ATOM 462 O ASN A 30 13.823 -3.168 5.871 1.00 0.00 O ATOM 463 CB ASN A 30 15.644 -1.593 3.580 1.00 0.00 C ATOM 464 CG ASN A 30 16.667 -1.907 4.670 1.00 0.00 C ATOM 465 OD1 ASN A 30 16.404 -1.783 5.842 1.00 0.00 O ATOM 466 ND2 ASN A 30 17.855 -2.320 4.345 1.00 0.00 N ATOM 0 H ASN A 30 13.391 -1.288 2.251 1.00 0.00 H new ATOM 0 HA ASN A 30 14.814 -3.607 3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.132 -1.616 2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.262 -0.582 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.538 -2.531 5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.104 -2.434 3.363 1.00 0.00 H new ATOM 473 N GLU A 31 12.936 -1.476 4.670 1.00 0.00 N ATOM 474 CA GLU A 31 11.895 -0.782 5.447 1.00 0.00 C ATOM 475 C GLU A 31 11.227 -0.411 6.762 1.00 0.00 C ATOM 476 O GLU A 31 10.747 -1.067 7.671 1.00 0.00 O ATOM 477 CB GLU A 31 10.709 -1.067 4.466 1.00 0.00 C ATOM 478 CG GLU A 31 9.266 -0.785 4.838 1.00 0.00 C ATOM 479 CD GLU A 31 8.434 -1.007 3.562 1.00 0.00 C ATOM 480 OE1 GLU A 31 8.521 -2.088 3.006 1.00 0.00 O ATOM 481 OE2 GLU A 31 7.759 -0.059 3.219 1.00 0.00 O ATOM 0 H GLU A 31 13.004 -1.027 3.757 1.00 0.00 H new ATOM 0 HA GLU A 31 12.657 -0.146 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.913 -0.504 3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.765 -2.124 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.935 -1.448 5.637 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.152 0.236 5.203 1.00 0.00 H new ATOM 488 N ASP A 32 11.356 0.853 6.555 1.00 0.00 N ATOM 489 CA ASP A 32 11.014 2.100 7.228 1.00 0.00 C ATOM 490 C ASP A 32 10.164 2.732 6.075 1.00 0.00 C ATOM 491 O ASP A 32 9.092 3.232 6.344 1.00 0.00 O ATOM 492 CB ASP A 32 12.294 2.937 7.499 1.00 0.00 C ATOM 493 CG ASP A 32 13.022 3.218 6.179 1.00 0.00 C ATOM 494 OD1 ASP A 32 13.435 2.244 5.563 1.00 0.00 O ATOM 495 OD2 ASP A 32 13.114 4.379 5.848 1.00 0.00 O ATOM 0 H ASP A 32 11.825 1.110 5.686 1.00 0.00 H new ATOM 0 HA ASP A 32 10.525 2.017 8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.029 3.876 7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.953 2.400 8.181 1.00 0.00 H new ATOM 500 N ASP A 33 10.730 2.693 4.877 1.00 0.00 N ATOM 501 CA ASP A 33 10.245 3.166 3.526 1.00 0.00 C ATOM 502 C ASP A 33 8.726 3.306 3.363 1.00 0.00 C ATOM 503 O ASP A 33 7.915 3.004 4.217 1.00 0.00 O ATOM 504 CB ASP A 33 10.845 2.151 2.433 1.00 0.00 C ATOM 505 CG ASP A 33 11.162 2.716 1.036 1.00 0.00 C ATOM 506 OD1 ASP A 33 10.379 3.454 0.465 1.00 0.00 O ATOM 507 OD2 ASP A 33 12.234 2.347 0.586 1.00 0.00 O ATOM 0 H ASP A 33 11.659 2.282 4.785 1.00 0.00 H new ATOM 0 HA ASP A 33 10.600 4.188 3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.762 1.723 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.137 1.331 2.311 1.00 0.00 H new ATOM 512 N VAL A 34 8.369 3.780 2.212 1.00 0.00 N ATOM 513 CA VAL A 34 6.995 4.004 1.842 1.00 0.00 C ATOM 514 C VAL A 34 6.456 3.021 0.836 1.00 0.00 C ATOM 515 O VAL A 34 7.090 2.262 0.138 1.00 0.00 O ATOM 516 CB VAL A 34 6.870 5.370 1.224 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.575 6.056 1.572 1.00 0.00 C ATOM 518 CG2 VAL A 34 8.027 6.253 1.641 1.00 0.00 C ATOM 0 H VAL A 34 9.035 4.030 1.481 1.00 0.00 H new ATOM 0 HA VAL A 34 6.421 3.892 2.762 1.00 0.00 H new ATOM 0 HB VAL A 34 6.885 5.216 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.544 7.037 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.738 5.454 1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.505 6.174 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.918 7.236 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.033 6.356 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.964 5.803 1.314 1.00 0.00 H new ATOM 528 N LEU A 35 5.183 3.182 0.813 1.00 0.00 N ATOM 529 CA LEU A 35 4.303 2.400 -0.065 1.00 0.00 C ATOM 530 C LEU A 35 3.436 3.447 -0.727 1.00 0.00 C ATOM 531 O LEU A 35 3.792 3.950 -1.775 1.00 0.00 O ATOM 532 CB LEU A 35 3.385 1.394 0.727 1.00 0.00 C ATOM 533 CG LEU A 35 4.044 -0.009 0.933 1.00 0.00 C ATOM 534 CD1 LEU A 35 5.294 0.081 1.796 1.00 0.00 C ATOM 535 CD2 LEU A 35 3.064 -0.972 1.645 1.00 0.00 C ATOM 0 H LEU A 35 4.691 3.858 1.397 1.00 0.00 H new ATOM 0 HA LEU A 35 4.884 1.789 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.144 1.821 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.444 1.271 0.191 1.00 0.00 H new ATOM 0 HG LEU A 35 4.302 -0.379 -0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.725 -0.913 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.021 0.735 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.033 0.485 2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.541 -1.943 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.794 -0.563 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.165 -1.090 1.039 1.00 0.00 H new ATOM 547 N CYS A 36 2.355 3.782 -0.078 1.00 0.00 N ATOM 548 CA CYS A 36 1.414 4.785 -0.651 1.00 0.00 C ATOM 549 C CYS A 36 1.057 5.927 0.274 1.00 0.00 C ATOM 550 O CYS A 36 1.367 5.896 1.454 1.00 0.00 O ATOM 551 CB CYS A 36 0.140 4.034 -1.051 1.00 0.00 C ATOM 552 SG CYS A 36 -1.239 3.970 0.124 1.00 0.00 S ATOM 0 H CYS A 36 2.082 3.402 0.829 1.00 0.00 H new ATOM 0 HA CYS A 36 1.916 5.255 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.232 4.482 -1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.422 3.008 -1.286 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.221 3.295 -0.396 1.00 0.00 H new ATOM 558 N GLU A 37 0.413 6.883 -0.329 1.00 0.00 N ATOM 559 CA GLU A 37 -0.065 8.124 0.336 1.00 0.00 C ATOM 560 C GLU A 37 -1.490 8.318 -0.171 1.00 0.00 C ATOM 561 O GLU A 37 -1.838 7.827 -1.239 1.00 0.00 O ATOM 562 CB GLU A 37 0.933 9.222 -0.113 1.00 0.00 C ATOM 563 CG GLU A 37 0.527 10.713 0.220 1.00 0.00 C ATOM 564 CD GLU A 37 0.082 11.501 -1.028 1.00 0.00 C ATOM 565 OE1 GLU A 37 -0.158 10.871 -2.044 1.00 0.00 O ATOM 566 OE2 GLU A 37 0.008 12.720 -0.989 1.00 0.00 O ATOM 0 H GLU A 37 0.185 6.849 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.096 8.123 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.898 9.018 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.073 9.138 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.282 10.710 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.373 11.221 0.683 1.00 0.00 H new ATOM 573 N VAL A 38 -2.240 9.037 0.608 1.00 0.00 N ATOM 574 CA VAL A 38 -3.664 9.326 0.294 1.00 0.00 C ATOM 575 C VAL A 38 -4.028 10.771 0.631 1.00 0.00 C ATOM 576 O VAL A 38 -3.233 11.575 1.081 1.00 0.00 O ATOM 577 CB VAL A 38 -4.459 8.278 1.115 1.00 0.00 C ATOM 578 CG1 VAL A 38 -5.981 8.517 1.177 1.00 0.00 C ATOM 579 CG2 VAL A 38 -4.230 6.888 0.487 1.00 0.00 C ATOM 0 H VAL A 38 -1.914 9.451 1.481 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.893 9.243 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.088 8.358 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.448 7.733 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.179 9.487 1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.393 8.501 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.783 6.138 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.579 6.893 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.167 6.649 0.510 1.00 0.00 H new ATOM 589 N GLN A 39 -5.261 11.065 0.363 1.00 0.00 N ATOM 590 CA GLN A 39 -5.782 12.412 0.652 1.00 0.00 C ATOM 591 C GLN A 39 -7.180 12.265 1.258 1.00 0.00 C ATOM 592 O GLN A 39 -8.120 12.004 0.537 1.00 0.00 O ATOM 593 CB GLN A 39 -5.818 13.157 -0.655 1.00 0.00 C ATOM 594 CG GLN A 39 -6.248 14.598 -0.371 1.00 0.00 C ATOM 595 CD GLN A 39 -5.808 15.487 -1.544 1.00 0.00 C ATOM 596 OE1 GLN A 39 -6.518 15.700 -2.498 1.00 0.00 O ATOM 597 NE2 GLN A 39 -4.632 16.034 -1.529 1.00 0.00 N ATOM 0 H GLN A 39 -5.935 10.420 -0.049 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.162 12.959 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.837 13.139 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.515 12.681 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.329 14.651 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.799 14.950 0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.006 15.876 -0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.333 16.622 -2.307 1.00 0.00 H new ATOM 606 N ASN A 40 -7.325 12.408 2.539 1.00 0.00 N ATOM 607 CA ASN A 40 -8.698 12.273 3.133 1.00 0.00 C ATOM 608 C ASN A 40 -8.833 13.182 4.322 1.00 0.00 C ATOM 609 O ASN A 40 -7.892 13.834 4.723 1.00 0.00 O ATOM 610 CB ASN A 40 -9.020 10.798 3.588 1.00 0.00 C ATOM 611 CG ASN A 40 -8.090 10.221 4.646 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.959 9.892 4.360 1.00 0.00 O ATOM 613 ND2 ASN A 40 -8.482 10.054 5.874 1.00 0.00 N ATOM 0 H ASN A 40 -6.574 12.609 3.200 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.406 12.548 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.040 10.769 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.990 10.151 2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.844 9.657 6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.428 10.320 6.148 1.00 0.00 H new ATOM 620 N ASP A 41 -10.027 13.183 4.837 1.00 0.00 N ATOM 621 CA ASP A 41 -10.438 13.995 6.010 1.00 0.00 C ATOM 622 C ASP A 41 -9.372 14.609 6.891 1.00 0.00 C ATOM 623 O ASP A 41 -9.212 15.809 6.925 1.00 0.00 O ATOM 624 CB ASP A 41 -11.363 13.123 6.866 1.00 0.00 C ATOM 625 CG ASP A 41 -10.826 11.707 7.023 1.00 0.00 C ATOM 626 OD1 ASP A 41 -10.053 11.450 7.927 1.00 0.00 O ATOM 627 OD2 ASP A 41 -11.219 10.924 6.182 1.00 0.00 O ATOM 0 H ASP A 41 -10.785 12.612 4.462 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.907 14.877 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.482 13.577 7.850 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.352 13.087 6.410 1.00 0.00 H new ATOM 632 N LYS A 42 -8.686 13.762 7.580 1.00 0.00 N ATOM 633 CA LYS A 42 -7.613 14.188 8.503 1.00 0.00 C ATOM 634 C LYS A 42 -6.311 13.470 8.191 1.00 0.00 C ATOM 635 O LYS A 42 -5.296 13.821 8.761 1.00 0.00 O ATOM 636 CB LYS A 42 -8.063 13.862 9.939 1.00 0.00 C ATOM 637 CG LYS A 42 -9.459 14.551 10.238 1.00 0.00 C ATOM 638 CD LYS A 42 -10.428 13.613 11.026 1.00 0.00 C ATOM 639 CE LYS A 42 -10.238 13.708 12.556 1.00 0.00 C ATOM 640 NZ LYS A 42 -8.784 13.685 12.903 1.00 0.00 N ATOM 0 H LYS A 42 -8.829 12.753 7.542 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.436 15.258 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.146 12.783 10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.316 14.211 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.295 15.464 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.926 14.844 9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.458 13.868 10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.269 12.583 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.693 14.626 12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.748 12.878 13.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.674 13.562 13.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.321 12.896 12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.344 14.581 12.613 1.00 0.00 H new ATOM 654 N ALA A 43 -6.341 12.496 7.329 1.00 0.00 N ATOM 655 CA ALA A 43 -5.077 11.779 7.011 1.00 0.00 C ATOM 656 C ALA A 43 -4.657 12.088 5.584 1.00 0.00 C ATOM 657 O ALA A 43 -5.467 12.439 4.748 1.00 0.00 O ATOM 658 CB ALA A 43 -5.334 10.315 7.184 1.00 0.00 C ATOM 0 H ALA A 43 -7.172 12.168 6.837 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.270 12.096 7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.425 9.757 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.635 10.118 8.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.129 10.003 6.507 1.00 0.00 H new ATOM 664 N VAL A 44 -3.382 11.940 5.360 1.00 0.00 N ATOM 665 CA VAL A 44 -2.803 12.204 4.022 1.00 0.00 C ATOM 666 C VAL A 44 -2.024 10.951 3.562 1.00 0.00 C ATOM 667 O VAL A 44 -2.563 10.052 2.964 1.00 0.00 O ATOM 668 CB VAL A 44 -1.924 13.486 4.215 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.364 14.010 2.873 1.00 0.00 C ATOM 670 CG2 VAL A 44 -2.780 14.587 4.905 1.00 0.00 C ATOM 0 H VAL A 44 -2.707 11.641 6.064 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.533 12.388 3.234 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.070 13.226 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.761 14.900 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.746 13.240 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.190 14.260 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.176 15.484 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.642 14.823 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.123 14.227 5.875 1.00 0.00 H new ATOM 680 N VAL A 45 -0.774 10.900 3.913 1.00 0.00 N ATOM 681 CA VAL A 45 0.120 9.778 3.541 1.00 0.00 C ATOM 682 C VAL A 45 -0.403 8.605 4.318 1.00 0.00 C ATOM 683 O VAL A 45 -1.130 8.779 5.279 1.00 0.00 O ATOM 684 CB VAL A 45 1.584 10.070 3.975 1.00 0.00 C ATOM 685 CG1 VAL A 45 2.578 8.936 3.573 1.00 0.00 C ATOM 686 CG2 VAL A 45 2.029 11.323 3.299 1.00 0.00 C ATOM 0 H VAL A 45 -0.318 11.624 4.468 1.00 0.00 H new ATOM 0 HA VAL A 45 0.130 9.610 2.464 1.00 0.00 H new ATOM 0 HB VAL A 45 1.591 10.152 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.583 9.199 3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.274 8.001 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.573 8.814 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.055 11.548 3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.978 11.191 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.379 12.147 3.595 1.00 0.00 H new ATOM 696 N GLU A 46 0.025 7.462 3.859 1.00 0.00 N ATOM 697 CA GLU A 46 -0.444 6.243 4.555 1.00 0.00 C ATOM 698 C GLU A 46 0.593 5.530 5.383 1.00 0.00 C ATOM 699 O GLU A 46 0.533 5.348 6.581 1.00 0.00 O ATOM 700 CB GLU A 46 -1.043 5.191 3.562 1.00 0.00 C ATOM 701 CG GLU A 46 -2.350 5.670 2.900 1.00 0.00 C ATOM 702 CD GLU A 46 -3.429 4.569 3.021 1.00 0.00 C ATOM 703 OE1 GLU A 46 -3.846 4.315 4.137 1.00 0.00 O ATOM 704 OE2 GLU A 46 -3.789 4.023 1.994 1.00 0.00 O ATOM 0 H GLU A 46 0.652 7.324 3.066 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.203 6.635 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.309 4.970 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.232 4.260 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.696 6.586 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.173 5.905 1.851 1.00 0.00 H new ATOM 711 N ILE A 47 1.536 5.169 4.608 1.00 0.00 N ATOM 712 CA ILE A 47 2.734 4.429 5.055 1.00 0.00 C ATOM 713 C ILE A 47 3.878 5.435 5.308 1.00 0.00 C ATOM 714 O ILE A 47 4.005 6.399 4.581 1.00 0.00 O ATOM 715 CB ILE A 47 3.001 3.423 3.899 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.106 2.158 3.988 1.00 0.00 C ATOM 717 CG2 ILE A 47 4.417 3.030 3.819 1.00 0.00 C ATOM 718 CD1 ILE A 47 0.744 2.427 3.364 1.00 0.00 C ATOM 0 H ILE A 47 1.534 5.367 3.607 1.00 0.00 H new ATOM 0 HA ILE A 47 2.626 3.890 5.996 1.00 0.00 H new ATOM 0 HB ILE A 47 2.739 3.956 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.590 1.326 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.984 1.864 5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.554 2.327 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.031 3.914 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.717 2.557 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.128 1.530 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.256 3.245 3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.871 2.699 2.316 1.00 0.00 H new ATOM 730 N PRO A 48 4.670 5.182 6.314 1.00 0.00 N ATOM 731 CA PRO A 48 5.918 4.381 6.269 1.00 0.00 C ATOM 732 C PRO A 48 5.550 2.973 6.754 1.00 0.00 C ATOM 733 O PRO A 48 4.420 2.718 7.146 1.00 0.00 O ATOM 734 CB PRO A 48 6.832 5.127 7.200 1.00 0.00 C ATOM 735 CG PRO A 48 5.852 5.354 8.369 1.00 0.00 C ATOM 736 CD PRO A 48 4.451 5.681 7.687 1.00 0.00 C ATOM 0 HA PRO A 48 6.394 4.262 5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.705 4.543 7.490 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.200 6.059 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.784 4.469 9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.181 6.176 9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.625 5.171 8.182 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.225 6.747 7.705 1.00 0.00 H new ATOM 744 N SER A 49 6.522 2.141 6.716 1.00 0.00 N ATOM 745 CA SER A 49 6.362 0.719 7.131 1.00 0.00 C ATOM 746 C SER A 49 7.397 0.241 8.146 1.00 0.00 C ATOM 747 O SER A 49 8.338 0.942 8.447 1.00 0.00 O ATOM 748 CB SER A 49 6.465 -0.137 5.907 1.00 0.00 C ATOM 749 OG SER A 49 5.243 -0.047 5.192 1.00 0.00 O ATOM 0 H SER A 49 7.463 2.383 6.405 1.00 0.00 H new ATOM 0 HA SER A 49 5.391 0.640 7.621 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.295 0.193 5.282 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.667 -1.172 6.184 1.00 0.00 H new ATOM 0 HG SER A 49 5.161 -0.813 4.586 1.00 0.00 H new ATOM 755 N PRO A 50 7.171 -0.950 8.665 1.00 0.00 N ATOM 756 CA PRO A 50 8.108 -1.669 9.558 1.00 0.00 C ATOM 757 C PRO A 50 8.924 -2.873 9.008 1.00 0.00 C ATOM 758 O PRO A 50 9.882 -3.268 9.646 1.00 0.00 O ATOM 759 CB PRO A 50 7.190 -2.058 10.695 1.00 0.00 C ATOM 760 CG PRO A 50 5.783 -2.322 9.976 1.00 0.00 C ATOM 761 CD PRO A 50 5.938 -1.771 8.513 1.00 0.00 C ATOM 0 HA PRO A 50 8.953 -1.024 9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.548 -2.948 11.212 1.00 0.00 H new ATOM 0 HB3 PRO A 50 7.117 -1.265 11.439 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.541 -3.385 9.970 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.974 -1.814 10.501 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.058 -2.568 7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.080 -1.177 8.200 1.00 0.00 H new ATOM 769 N VAL A 51 8.556 -3.457 7.899 1.00 0.00 N ATOM 770 CA VAL A 51 9.314 -4.604 7.369 1.00 0.00 C ATOM 771 C VAL A 51 9.543 -4.485 5.911 1.00 0.00 C ATOM 772 O VAL A 51 8.980 -3.674 5.226 1.00 0.00 O ATOM 773 CB VAL A 51 8.514 -5.878 7.738 1.00 0.00 C ATOM 774 CG1 VAL A 51 6.975 -5.665 7.560 1.00 0.00 C ATOM 775 CG2 VAL A 51 8.864 -7.084 6.961 1.00 0.00 C ATOM 0 H VAL A 51 7.751 -3.177 7.338 1.00 0.00 H new ATOM 0 HA VAL A 51 10.310 -4.645 7.809 1.00 0.00 H new ATOM 0 HB VAL A 51 8.788 -6.046 8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.448 -6.580 7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.643 -4.852 8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.760 -5.414 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.250 -7.921 7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.684 -6.899 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.917 -7.323 7.114 1.00 0.00 H new ATOM 785 N LYS A 52 10.373 -5.401 5.558 1.00 0.00 N ATOM 786 CA LYS A 52 10.868 -5.619 4.200 1.00 0.00 C ATOM 787 C LYS A 52 10.621 -7.040 3.748 1.00 0.00 C ATOM 788 O LYS A 52 10.145 -7.883 4.484 1.00 0.00 O ATOM 789 CB LYS A 52 12.344 -5.314 4.207 1.00 0.00 C ATOM 790 CG LYS A 52 13.225 -6.270 5.111 1.00 0.00 C ATOM 791 CD LYS A 52 13.012 -6.072 6.653 1.00 0.00 C ATOM 792 CE LYS A 52 14.046 -6.889 7.450 1.00 0.00 C ATOM 793 NZ LYS A 52 13.954 -8.333 7.068 1.00 0.00 N ATOM 0 H LYS A 52 10.760 -6.066 6.227 1.00 0.00 H new ATOM 0 HA LYS A 52 10.342 -4.970 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.714 -5.365 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.485 -4.288 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.999 -7.305 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.277 -6.106 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.102 -5.015 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.004 -6.381 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.050 -6.514 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.868 -6.774 8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.804 -8.909 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.157 -8.469 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.837 -8.626 6.603 1.00 0.00 H new ATOM 807 N GLY A 53 11.024 -7.225 2.540 1.00 0.00 N ATOM 808 CA GLY A 53 10.914 -8.515 1.818 1.00 0.00 C ATOM 809 C GLY A 53 10.920 -8.024 0.383 1.00 0.00 C ATOM 810 O GLY A 53 11.735 -7.167 0.072 1.00 0.00 O ATOM 0 H GLY A 53 11.455 -6.487 1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.748 -9.183 2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.001 -9.055 2.069 1.00 0.00 H new ATOM 814 N LYS A 54 10.075 -8.498 -0.473 1.00 0.00 N ATOM 815 CA LYS A 54 10.100 -8.006 -1.875 1.00 0.00 C ATOM 816 C LYS A 54 8.797 -7.255 -2.036 1.00 0.00 C ATOM 817 O LYS A 54 7.948 -7.194 -1.165 1.00 0.00 O ATOM 818 CB LYS A 54 10.208 -9.248 -2.824 1.00 0.00 C ATOM 819 CG LYS A 54 10.627 -8.900 -4.301 1.00 0.00 C ATOM 820 CD LYS A 54 12.021 -8.170 -4.401 1.00 0.00 C ATOM 821 CE LYS A 54 13.195 -9.102 -3.947 1.00 0.00 C ATOM 822 NZ LYS A 54 14.470 -8.447 -4.092 1.00 0.00 N ATOM 0 H LYS A 54 9.367 -9.204 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 54 10.940 -7.355 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.934 -9.947 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.246 -9.761 -2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.664 -9.819 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.861 -8.267 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.190 -7.846 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.008 -7.273 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.050 -9.393 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.185 -10.018 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.167 -9.122 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.376 -7.646 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.789 -8.099 -3.165 1.00 0.00 H new ATOM 836 N VAL A 55 8.704 -6.702 -3.196 1.00 0.00 N ATOM 837 CA VAL A 55 7.518 -5.928 -3.570 1.00 0.00 C ATOM 838 C VAL A 55 7.253 -6.768 -4.792 1.00 0.00 C ATOM 839 O VAL A 55 7.903 -6.616 -5.807 1.00 0.00 O ATOM 840 CB VAL A 55 7.863 -4.515 -3.931 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.471 -3.859 -4.103 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.512 -3.983 -2.655 1.00 0.00 C ATOM 0 H VAL A 55 9.422 -6.758 -3.918 1.00 0.00 H new ATOM 0 HA VAL A 55 6.723 -5.796 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 55 8.499 -4.361 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.594 -2.810 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.921 -4.373 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.916 -3.932 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.809 -2.945 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.800 -4.043 -1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.392 -4.581 -2.418 1.00 0.00 H new ATOM 852 N LEU A 56 6.315 -7.660 -4.650 1.00 0.00 N ATOM 853 CA LEU A 56 6.007 -8.526 -5.817 1.00 0.00 C ATOM 854 C LEU A 56 5.231 -7.668 -6.816 1.00 0.00 C ATOM 855 O LEU A 56 5.827 -7.121 -7.722 1.00 0.00 O ATOM 856 CB LEU A 56 5.161 -9.743 -5.347 1.00 0.00 C ATOM 857 CG LEU A 56 5.934 -10.589 -4.277 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.971 -11.612 -3.634 1.00 0.00 C ATOM 859 CD2 LEU A 56 7.133 -11.338 -4.907 1.00 0.00 C ATOM 0 H LEU A 56 5.765 -7.824 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 56 6.913 -8.914 -6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.218 -9.394 -4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.915 -10.371 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 56 6.318 -9.906 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.509 -12.200 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.147 -11.084 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.577 -12.275 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.647 -11.915 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.773 -12.011 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.825 -10.617 -5.342 1.00 0.00 H new ATOM 871 N GLU A 57 3.950 -7.540 -6.625 1.00 0.00 N ATOM 872 CA GLU A 57 3.154 -6.724 -7.576 1.00 0.00 C ATOM 873 C GLU A 57 2.304 -5.676 -6.879 1.00 0.00 C ATOM 874 O GLU A 57 2.030 -5.755 -5.694 1.00 0.00 O ATOM 875 CB GLU A 57 2.253 -7.666 -8.371 1.00 0.00 C ATOM 876 CG GLU A 57 3.077 -8.862 -8.892 1.00 0.00 C ATOM 877 CD GLU A 57 2.098 -9.813 -9.568 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.552 -9.387 -10.570 1.00 0.00 O ATOM 879 OE2 GLU A 57 1.964 -10.893 -9.022 1.00 0.00 O ATOM 0 H GLU A 57 3.425 -7.961 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 57 3.844 -6.188 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.437 -8.021 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.801 -7.132 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.839 -8.528 -9.596 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.596 -9.360 -8.073 1.00 0.00 H new ATOM 886 N ILE A 58 1.933 -4.736 -7.690 1.00 0.00 N ATOM 887 CA ILE A 58 1.091 -3.575 -7.333 1.00 0.00 C ATOM 888 C ILE A 58 0.187 -3.762 -8.552 1.00 0.00 C ATOM 889 O ILE A 58 0.678 -3.680 -9.663 1.00 0.00 O ATOM 890 CB ILE A 58 1.942 -2.287 -7.406 1.00 0.00 C ATOM 891 CG1 ILE A 58 3.063 -2.345 -6.325 1.00 0.00 C ATOM 892 CG2 ILE A 58 1.043 -1.050 -7.125 1.00 0.00 C ATOM 893 CD1 ILE A 58 4.075 -1.199 -6.543 1.00 0.00 C ATOM 0 H ILE A 58 2.208 -4.732 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 58 0.614 -3.508 -6.355 1.00 0.00 H new ATOM 0 HB ILE A 58 2.383 -2.206 -8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.623 -2.267 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.575 -3.306 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.645 -0.143 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.248 -1.001 -7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.604 -1.137 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.853 -1.251 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.527 -1.295 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.560 -0.241 -6.472 1.00 0.00 H new ATOM 905 N LEU A 59 -1.066 -4.007 -8.336 1.00 0.00 N ATOM 906 CA LEU A 59 -1.990 -4.208 -9.473 1.00 0.00 C ATOM 907 C LEU A 59 -2.670 -2.905 -9.888 1.00 0.00 C ATOM 908 O LEU A 59 -2.815 -2.651 -11.068 1.00 0.00 O ATOM 909 CB LEU A 59 -3.040 -5.265 -9.062 1.00 0.00 C ATOM 910 CG LEU A 59 -2.376 -6.668 -8.777 1.00 0.00 C ATOM 911 CD1 LEU A 59 -1.756 -6.749 -7.352 1.00 0.00 C ATOM 912 CD2 LEU A 59 -3.452 -7.775 -8.856 1.00 0.00 C ATOM 0 H LEU A 59 -1.494 -4.077 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.424 -4.554 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.569 -4.925 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.782 -5.368 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.592 -6.800 -9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.312 -7.733 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.987 -5.984 -7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.535 -6.587 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.993 -8.744 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.227 -7.583 -8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.897 -7.780 -9.851 1.00 0.00 H new ATOM 924 N VAL A 60 -3.079 -2.102 -8.948 1.00 0.00 N ATOM 925 CA VAL A 60 -3.745 -0.821 -9.326 1.00 0.00 C ATOM 926 C VAL A 60 -2.689 0.224 -8.880 1.00 0.00 C ATOM 927 O VAL A 60 -2.297 0.188 -7.732 1.00 0.00 O ATOM 928 CB VAL A 60 -5.093 -0.689 -8.543 1.00 0.00 C ATOM 929 CG1 VAL A 60 -6.008 0.375 -9.192 1.00 0.00 C ATOM 930 CG2 VAL A 60 -5.850 -2.048 -8.502 1.00 0.00 C ATOM 0 H VAL A 60 -2.984 -2.271 -7.947 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.013 -0.720 -10.378 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.847 -0.382 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.938 0.447 -8.629 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.504 1.341 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.228 0.088 -10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.783 -1.928 -7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.068 -2.374 -9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.230 -2.795 -8.006 1.00 0.00 H new ATOM 940 N PRO A 61 -2.247 1.087 -9.765 1.00 0.00 N ATOM 941 CA PRO A 61 -1.283 2.195 -9.447 1.00 0.00 C ATOM 942 C PRO A 61 -1.716 3.193 -8.331 1.00 0.00 C ATOM 943 O PRO A 61 -2.021 2.831 -7.209 1.00 0.00 O ATOM 944 CB PRO A 61 -1.057 2.859 -10.835 1.00 0.00 C ATOM 945 CG PRO A 61 -1.343 1.717 -11.840 1.00 0.00 C ATOM 946 CD PRO A 61 -2.598 1.083 -11.218 1.00 0.00 C ATOM 0 HA PRO A 61 -0.372 1.807 -8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.728 3.704 -10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.040 3.237 -10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.526 2.091 -12.847 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.515 1.011 -11.908 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.496 1.665 -11.424 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.777 0.076 -11.594 1.00 0.00 H new ATOM 954 N GLU A 62 -1.728 4.435 -8.693 1.00 0.00 N ATOM 955 CA GLU A 62 -2.103 5.572 -7.820 1.00 0.00 C ATOM 956 C GLU A 62 -3.156 6.260 -8.680 1.00 0.00 C ATOM 957 O GLU A 62 -3.638 5.727 -9.670 1.00 0.00 O ATOM 958 CB GLU A 62 -0.865 6.496 -7.568 1.00 0.00 C ATOM 959 CG GLU A 62 0.212 6.449 -8.694 1.00 0.00 C ATOM 960 CD GLU A 62 -0.465 6.691 -10.039 1.00 0.00 C ATOM 961 OE1 GLU A 62 -1.035 7.753 -10.176 1.00 0.00 O ATOM 962 OE2 GLU A 62 -0.370 5.774 -10.830 1.00 0.00 O ATOM 0 H GLU A 62 -1.472 4.729 -9.636 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.456 5.297 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.211 7.524 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.400 6.211 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.976 7.205 -8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.715 5.482 -8.694 1.00 0.00 H new ATOM 969 N GLY A 63 -3.512 7.411 -8.225 1.00 0.00 N ATOM 970 CA GLY A 63 -4.524 8.250 -8.929 1.00 0.00 C ATOM 971 C GLY A 63 -5.917 7.631 -8.963 1.00 0.00 C ATOM 972 O GLY A 63 -6.890 8.332 -9.163 1.00 0.00 O ATOM 0 H GLY A 63 -3.140 7.827 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.580 9.223 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.189 8.426 -9.951 1.00 0.00 H new ATOM 976 N THR A 64 -5.997 6.348 -8.766 1.00 0.00 N ATOM 977 CA THR A 64 -7.304 5.653 -8.786 1.00 0.00 C ATOM 978 C THR A 64 -7.643 5.434 -7.303 1.00 0.00 C ATOM 979 O THR A 64 -6.799 5.637 -6.447 1.00 0.00 O ATOM 980 CB THR A 64 -7.124 4.315 -9.536 1.00 0.00 C ATOM 981 OG1 THR A 64 -6.224 4.559 -10.619 1.00 0.00 O ATOM 982 CG2 THR A 64 -8.434 3.908 -10.258 1.00 0.00 C ATOM 0 H THR A 64 -5.195 5.743 -8.589 1.00 0.00 H new ATOM 0 HA THR A 64 -8.099 6.204 -9.289 1.00 0.00 H new ATOM 0 HB THR A 64 -6.801 3.561 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.083 3.729 -11.120 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.283 2.963 -10.779 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.233 3.795 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.708 4.680 -10.978 1.00 0.00 H new ATOM 990 N VAL A 65 -8.843 5.015 -7.020 1.00 0.00 N ATOM 991 CA VAL A 65 -9.223 4.787 -5.606 1.00 0.00 C ATOM 992 C VAL A 65 -9.236 3.270 -5.473 1.00 0.00 C ATOM 993 O VAL A 65 -9.527 2.569 -6.424 1.00 0.00 O ATOM 994 CB VAL A 65 -10.623 5.418 -5.379 1.00 0.00 C ATOM 995 CG1 VAL A 65 -11.034 5.294 -3.896 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.585 6.915 -5.776 1.00 0.00 C ATOM 0 H VAL A 65 -9.573 4.822 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.554 5.232 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.351 4.889 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.018 5.741 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.069 4.241 -3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.306 5.812 -3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.568 7.359 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.849 7.435 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.312 7.006 -6.827 1.00 0.00 H new ATOM 1006 N ALA A 66 -8.918 2.814 -4.304 1.00 0.00 N ATOM 1007 CA ALA A 66 -8.880 1.366 -3.990 1.00 0.00 C ATOM 1008 C ALA A 66 -9.877 1.153 -2.894 1.00 0.00 C ATOM 1009 O ALA A 66 -10.183 2.069 -2.164 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.518 1.038 -3.502 1.00 0.00 C ATOM 0 H ALA A 66 -8.671 3.413 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.110 0.742 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.463 -0.024 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.788 1.274 -4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.301 1.622 -2.608 1.00 0.00 H new ATOM 1016 N THR A 67 -10.341 -0.039 -2.790 1.00 0.00 N ATOM 1017 CA THR A 67 -11.329 -0.386 -1.753 1.00 0.00 C ATOM 1018 C THR A 67 -10.511 -1.085 -0.663 1.00 0.00 C ATOM 1019 O THR A 67 -9.307 -0.956 -0.532 1.00 0.00 O ATOM 1020 CB THR A 67 -12.363 -1.305 -2.466 1.00 0.00 C ATOM 1021 OG1 THR A 67 -11.539 -2.103 -3.313 1.00 0.00 O ATOM 1022 CG2 THR A 67 -13.264 -0.517 -3.413 1.00 0.00 C ATOM 0 H THR A 67 -10.072 -0.814 -3.396 1.00 0.00 H new ATOM 0 HA THR A 67 -11.877 0.438 -1.296 1.00 0.00 H new ATOM 0 HB THR A 67 -12.987 -1.829 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.819 -1.988 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.971 -1.195 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.810 0.240 -2.850 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.655 -0.032 -4.176 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.262 -1.783 0.105 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.808 -2.608 1.231 1.00 0.00 C ATOM 1032 C VAL A 68 -11.514 -3.878 0.737 1.00 0.00 C ATOM 1033 O VAL A 68 -12.510 -3.807 0.037 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.435 -2.224 2.495 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -11.097 -3.345 3.553 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.767 -0.932 2.802 1.00 0.00 C ATOM 0 H VAL A 68 -12.274 -1.816 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.737 -2.605 1.432 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.520 -2.121 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.551 -3.090 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.491 -4.301 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.016 -3.419 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.156 -0.535 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.692 -1.091 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.962 -0.222 1.999 1.00 0.00 H new ATOM 1046 N GLY A 69 -10.998 -5.010 1.100 1.00 0.00 N ATOM 1047 CA GLY A 69 -11.671 -6.254 0.632 1.00 0.00 C ATOM 1048 C GLY A 69 -10.905 -6.620 -0.641 1.00 0.00 C ATOM 1049 O GLY A 69 -10.681 -7.773 -0.943 1.00 0.00 O ATOM 0 H GLY A 69 -10.168 -5.134 1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.612 -7.047 1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.729 -6.086 0.429 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.523 -5.593 -1.347 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.764 -5.718 -2.610 1.00 0.00 C ATOM 1055 C GLN A 70 -8.336 -5.620 -2.124 1.00 0.00 C ATOM 1056 O GLN A 70 -8.051 -5.177 -1.024 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.077 -4.533 -3.511 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.605 -4.713 -4.959 1.00 0.00 C ATOM 1059 CD GLN A 70 -9.839 -3.365 -5.647 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -10.955 -2.906 -5.784 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -8.827 -2.684 -6.089 1.00 0.00 N ATOM 0 H GLN A 70 -10.719 -4.628 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.984 -6.622 -3.178 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.153 -4.361 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.611 -3.640 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.552 -4.992 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.162 -5.507 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.881 -3.051 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.978 -1.782 -6.541 1.00 0.00 H new ATOM 1070 N THR A 71 -7.469 -6.029 -2.988 1.00 0.00 N ATOM 1071 CA THR A 71 -6.043 -5.989 -2.657 1.00 0.00 C ATOM 1072 C THR A 71 -5.547 -4.853 -3.555 1.00 0.00 C ATOM 1073 O THR A 71 -6.286 -4.228 -4.300 1.00 0.00 O ATOM 1074 CB THR A 71 -5.437 -7.337 -3.024 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.407 -8.335 -2.688 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.173 -7.727 -2.176 1.00 0.00 C ATOM 0 H THR A 71 -7.693 -6.391 -3.915 1.00 0.00 H new ATOM 0 HA THR A 71 -5.793 -5.820 -1.610 1.00 0.00 H new ATOM 0 HB THR A 71 -5.156 -7.275 -4.075 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.055 -9.222 -2.911 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.803 -8.700 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.394 -6.977 -2.318 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.443 -7.775 -1.121 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.283 -4.634 -3.455 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.647 -3.553 -4.252 1.00 0.00 C ATOM 1086 C LEU A 72 -2.231 -4.023 -4.527 1.00 0.00 C ATOM 1087 O LEU A 72 -1.835 -4.279 -5.642 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.689 -2.236 -3.392 1.00 0.00 C ATOM 1089 CG LEU A 72 -3.302 -0.944 -4.157 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -2.003 -1.107 -4.975 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -4.434 -0.579 -5.124 1.00 0.00 C ATOM 0 H LEU A 72 -3.649 -5.158 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.149 -3.343 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.694 -2.115 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.017 -2.353 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.139 -0.164 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.778 -0.173 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.181 -1.359 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.132 -1.904 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.170 0.329 -5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.585 -1.394 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.353 -0.412 -4.562 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.519 -4.114 -3.447 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.100 -4.548 -3.442 1.00 0.00 C ATOM 1105 C ILE A 73 -0.023 -5.626 -2.374 1.00 0.00 C ATOM 1106 O ILE A 73 -0.933 -5.737 -1.566 1.00 0.00 O ATOM 1107 CB ILE A 73 0.783 -3.309 -3.082 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.290 -3.711 -2.960 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.259 -2.694 -1.730 1.00 0.00 C ATOM 1110 CD1 ILE A 73 3.180 -2.494 -2.603 1.00 0.00 C ATOM 0 H ILE A 73 -1.882 -3.894 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 73 0.251 -4.934 -4.399 1.00 0.00 H new ATOM 0 HB ILE A 73 0.709 -2.567 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.401 -4.480 -2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.628 -4.146 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.865 -1.828 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.780 -2.387 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.329 -3.441 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.219 -2.813 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.089 -1.736 -3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.858 -2.075 -1.649 1.00 0.00 H new ATOM 1122 N THR A 74 1.033 -6.373 -2.424 1.00 0.00 N ATOM 1123 CA THR A 74 1.258 -7.445 -1.432 1.00 0.00 C ATOM 1124 C THR A 74 2.754 -7.355 -1.158 1.00 0.00 C ATOM 1125 O THR A 74 3.535 -6.843 -1.954 1.00 0.00 O ATOM 1126 CB THR A 74 0.836 -8.823 -2.030 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.253 -9.801 -1.068 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.583 -9.180 -3.318 1.00 0.00 C ATOM 0 H THR A 74 1.766 -6.283 -3.127 1.00 0.00 H new ATOM 0 HA THR A 74 0.674 -7.342 -0.518 1.00 0.00 H new ATOM 0 HB THR A 74 -0.232 -8.790 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.991 -9.509 -0.170 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.241 -10.150 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.387 -8.421 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.653 -9.224 -3.117 1.00 0.00 H new ATOM 1136 N LEU A 75 3.066 -7.883 -0.026 1.00 0.00 N ATOM 1137 CA LEU A 75 4.447 -7.935 0.499 1.00 0.00 C ATOM 1138 C LEU A 75 4.635 -9.376 0.963 1.00 0.00 C ATOM 1139 O LEU A 75 3.700 -10.061 1.384 1.00 0.00 O ATOM 1140 CB LEU A 75 4.516 -6.920 1.630 1.00 0.00 C ATOM 1141 CG LEU A 75 5.848 -6.106 1.689 1.00 0.00 C ATOM 1142 CD1 LEU A 75 5.625 -4.772 2.442 1.00 0.00 C ATOM 1143 CD2 LEU A 75 6.959 -6.908 2.391 1.00 0.00 C ATOM 0 H LEU A 75 2.378 -8.307 0.596 1.00 0.00 H new ATOM 0 HA LEU A 75 5.234 -7.686 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.684 -6.224 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.381 -7.441 2.578 1.00 0.00 H new ATOM 0 HG LEU A 75 6.160 -5.902 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.560 -4.213 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.869 -4.183 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.288 -4.979 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.874 -6.316 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.650 -7.143 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.141 -7.833 1.844 1.00 0.00 H new ATOM 1155 N ASP A 76 5.846 -9.818 0.877 1.00 0.00 N ATOM 1156 CA ASP A 76 6.191 -11.191 1.293 1.00 0.00 C ATOM 1157 C ASP A 76 7.098 -10.799 2.445 1.00 0.00 C ATOM 1158 O ASP A 76 8.039 -10.057 2.281 1.00 0.00 O ATOM 1159 CB ASP A 76 6.883 -11.884 0.079 1.00 0.00 C ATOM 1160 CG ASP A 76 8.392 -11.720 0.030 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.037 -12.446 0.754 1.00 0.00 O ATOM 1162 OD2 ASP A 76 8.803 -10.873 -0.735 1.00 0.00 O ATOM 0 H ASP A 76 6.632 -9.270 0.526 1.00 0.00 H new ATOM 0 HA ASP A 76 5.418 -11.904 1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.647 -12.948 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.458 -11.484 -0.841 1.00 0.00 H new ATOM 1167 N ALA A 77 6.754 -11.293 3.599 1.00 0.00 N ATOM 1168 CA ALA A 77 7.536 -11.007 4.836 1.00 0.00 C ATOM 1169 C ALA A 77 7.498 -12.393 5.495 1.00 0.00 C ATOM 1170 O ALA A 77 6.995 -12.535 6.591 1.00 0.00 O ATOM 1171 CB ALA A 77 6.809 -9.963 5.737 1.00 0.00 C ATOM 0 H ALA A 77 5.945 -11.897 3.742 1.00 0.00 H new ATOM 0 HA ALA A 77 8.529 -10.592 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.405 -9.776 6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.681 -9.032 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.832 -10.350 6.027 1.00 0.00 H new ATOM 1177 N PRO A 78 7.993 -13.393 4.826 1.00 0.00 N ATOM 1178 CA PRO A 78 7.531 -14.785 5.046 1.00 0.00 C ATOM 1179 C PRO A 78 8.144 -15.405 6.320 1.00 0.00 C ATOM 1180 O PRO A 78 8.939 -16.319 6.211 1.00 0.00 O ATOM 1181 CB PRO A 78 7.935 -15.475 3.729 1.00 0.00 C ATOM 1182 CG PRO A 78 9.309 -14.809 3.433 1.00 0.00 C ATOM 1183 CD PRO A 78 9.047 -13.312 3.770 1.00 0.00 C ATOM 0 HA PRO A 78 6.463 -14.883 5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 78 8.020 -16.556 3.842 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.212 -15.294 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 78 10.103 -15.229 4.050 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.608 -14.943 2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.947 -12.815 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.705 -12.754 2.898 1.00 0.00 H new ATOM 1191 N GLY A 79 7.786 -14.922 7.483 1.00 0.00 N ATOM 1192 CA GLY A 79 8.361 -15.506 8.740 1.00 0.00 C ATOM 1193 C GLY A 79 8.733 -14.442 9.771 1.00 0.00 C ATOM 1194 O GLY A 79 9.882 -14.354 10.156 1.00 0.00 O ATOM 0 H GLY A 79 7.127 -14.156 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.639 -16.194 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.247 -16.090 8.492 1.00 0.00 H new ATOM 1198 N TYR A 80 7.758 -13.676 10.171 1.00 0.00 N ATOM 1199 CA TYR A 80 7.928 -12.584 11.177 1.00 0.00 C ATOM 1200 C TYR A 80 6.730 -12.649 12.139 1.00 0.00 C ATOM 1201 O TYR A 80 5.909 -13.526 11.923 1.00 0.00 O ATOM 1202 CB TYR A 80 7.948 -11.200 10.481 1.00 0.00 C ATOM 1203 CG TYR A 80 9.366 -10.659 10.180 1.00 0.00 C ATOM 1204 CD1 TYR A 80 10.383 -10.734 11.121 1.00 0.00 C ATOM 1205 CD2 TYR A 80 9.642 -10.032 8.977 1.00 0.00 C ATOM 1206 CE1 TYR A 80 11.627 -10.219 10.859 1.00 0.00 C ATOM 1207 CE2 TYR A 80 10.897 -9.515 8.719 1.00 0.00 C ATOM 1208 CZ TYR A 80 11.892 -9.596 9.672 1.00 0.00 C ATOM 1209 OH TYR A 80 13.162 -9.074 9.485 1.00 0.00 O ATOM 1210 OXT TYR A 80 6.699 -11.818 13.030 1.00 0.00 O ATOM 0 H TYR A 80 6.803 -13.766 9.825 1.00 0.00 H new ATOM 0 HA TYR A 80 8.870 -12.713 11.709 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.392 -11.269 9.546 1.00 0.00 H new ATOM 0 HB3 TYR A 80 7.424 -10.482 11.112 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.192 -11.205 12.074 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.866 -9.946 8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 80 12.407 -10.307 11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.100 -9.046 7.768 1.00 0.00 H new ATOM 0 HH TYR A 80 13.812 -9.606 9.990 1.00 0.00 H new TER 1220 TYR A 80