USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 84 GLN : amide:sc= -0.0713 X(o=-0.071,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.17) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -145:sc= -0.0258 (180deg=-0.159) USER MOD Single : A 112 GLN : amide:sc= -0.234 K(o=-0.23,f=-8.5!) USER MOD Single : A 116 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.1!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0.984 K(o=0.98,f=0) USER MOD Single : A 135 ASN : amide:sc= -0.454 K(o=-0.45,f=-10!) USER MOD Single : A 136 TYR OH : rot 80:sc= 1.17 USER MOD Single : A 142 MET CE :methyl -109:sc=-0.00289 (180deg=-0.302) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -1.047 -15.106 -2.078 1.00 10.00 N ATOM 38 CA ALA A 78 -0.831 -13.872 -1.375 1.00 10.00 C ATOM 39 C ALA A 78 -0.944 -12.797 -2.448 1.00 10.00 C ATOM 40 O ALA A 78 -2.047 -12.527 -2.913 1.00 10.00 O ATOM 41 CB ALA A 78 0.563 -13.956 -0.782 1.00 10.00 C ATOM 0 HA ALA A 78 -1.530 -13.662 -0.566 1.00 10.00 H new ATOM 0 HB1 ALA A 78 0.781 -13.040 -0.234 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.619 -14.807 -0.103 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.292 -14.082 -1.583 1.00 10.00 H new ATOM 47 N GLY A 79 0.193 -12.254 -2.902 1.00 10.00 N ATOM 48 CA GLY A 79 0.286 -11.249 -3.938 1.00 10.00 C ATOM 49 C GLY A 79 -0.883 -10.286 -3.832 1.00 10.00 C ATOM 50 O GLY A 79 -1.038 -9.580 -2.841 1.00 10.00 O ATOM 0 H GLY A 79 1.105 -12.523 -2.534 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.226 -10.705 -3.845 1.00 10.00 H new ATOM 0 HA3 GLY A 79 0.289 -11.725 -4.919 1.00 10.00 H new ATOM 54 N LEU A 80 -1.760 -10.304 -4.826 1.00 10.00 N ATOM 55 CA LEU A 80 -2.833 -9.359 -4.878 1.00 10.00 C ATOM 56 C LEU A 80 -3.817 -9.519 -3.726 1.00 10.00 C ATOM 57 O LEU A 80 -4.331 -8.518 -3.256 1.00 10.00 O ATOM 58 CB LEU A 80 -3.504 -9.449 -6.251 1.00 10.00 C ATOM 59 CG LEU A 80 -3.048 -8.321 -7.187 1.00 10.00 C ATOM 60 CD1 LEU A 80 -1.620 -8.588 -7.680 1.00 10.00 C ATOM 61 CD2 LEU A 80 -3.989 -8.228 -8.392 1.00 10.00 C ATOM 0 H LEU A 80 -1.738 -10.968 -5.600 1.00 10.00 H new ATOM 0 HA LEU A 80 -2.426 -8.356 -4.751 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -3.273 -10.413 -6.705 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -4.586 -9.405 -6.130 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.070 -7.381 -6.635 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -1.307 -7.781 -8.343 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -0.944 -8.639 -6.826 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -1.593 -9.534 -8.221 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -3.658 -7.425 -9.051 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -3.977 -9.172 -8.936 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -5.002 -8.020 -8.047 1.00 10.00 H new ATOM 73 N GLU A 81 -4.074 -10.728 -3.233 1.00 10.00 N ATOM 74 CA GLU A 81 -4.999 -10.908 -2.123 1.00 10.00 C ATOM 75 C GLU A 81 -4.392 -10.262 -0.873 1.00 10.00 C ATOM 76 O GLU A 81 -5.023 -9.422 -0.228 1.00 10.00 O ATOM 77 CB GLU A 81 -5.299 -12.405 -1.925 1.00 10.00 C ATOM 78 CG GLU A 81 -6.042 -13.015 -3.127 1.00 10.00 C ATOM 79 CD GLU A 81 -6.222 -14.530 -3.002 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.941 -14.943 -2.069 1.00 10.00 O ATOM 81 OE2 GLU A 81 -5.664 -15.257 -3.857 1.00 10.00 O ATOM 0 H GLU A 81 -3.657 -11.590 -3.583 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.952 -10.421 -2.330 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.364 -12.943 -1.767 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -5.899 -12.537 -1.025 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -7.020 -12.543 -3.222 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -5.491 -12.793 -4.041 1.00 10.00 H new ATOM 88 N ASP A 82 -3.138 -10.618 -0.577 1.00 10.00 N ATOM 89 CA ASP A 82 -2.383 -10.070 0.550 1.00 10.00 C ATOM 90 C ASP A 82 -2.408 -8.550 0.476 1.00 10.00 C ATOM 91 O ASP A 82 -2.858 -7.847 1.379 1.00 10.00 O ATOM 92 CB ASP A 82 -0.922 -10.560 0.507 1.00 10.00 C ATOM 93 CG ASP A 82 -0.556 -11.358 1.745 1.00 10.00 C ATOM 94 OD1 ASP A 82 -0.793 -12.584 1.711 1.00 10.00 O ATOM 95 OD2 ASP A 82 -0.028 -10.727 2.684 1.00 10.00 O ATOM 0 H ASP A 82 -2.614 -11.303 -1.121 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.839 -10.407 1.481 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.772 -11.176 -0.380 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.254 -9.703 0.417 1.00 10.00 H new ATOM 100 N LEU A 83 -1.911 -8.038 -0.641 1.00 10.00 N ATOM 101 CA LEU A 83 -1.707 -6.620 -0.815 1.00 10.00 C ATOM 102 C LEU A 83 -3.046 -5.871 -0.870 1.00 10.00 C ATOM 103 O LEU A 83 -3.177 -4.802 -0.283 1.00 10.00 O ATOM 104 CB LEU A 83 -0.775 -6.399 -1.999 1.00 10.00 C ATOM 105 CG LEU A 83 0.651 -6.807 -1.565 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.279 -7.882 -2.437 1.00 10.00 C ATOM 107 CD2 LEU A 83 1.580 -5.597 -1.493 1.00 10.00 C ATOM 0 H LEU A 83 -1.640 -8.600 -1.448 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.206 -6.184 0.049 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.098 -6.993 -2.854 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -0.795 -5.355 -2.310 1.00 10.00 H new ATOM 0 HG LEU A 83 0.529 -7.237 -0.571 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.278 -8.113 -2.067 1.00 10.00 H new ATOM 0 HD12 LEU A 83 0.664 -8.781 -2.406 1.00 10.00 H new ATOM 0 HD13 LEU A 83 1.346 -7.524 -3.464 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.575 -5.920 -1.185 1.00 10.00 H new ATOM 0 HD22 LEU A 83 1.639 -5.125 -2.474 1.00 10.00 H new ATOM 0 HD23 LEU A 83 1.190 -4.882 -0.769 1.00 10.00 H new ATOM 119 N GLN A 84 -4.077 -6.432 -1.505 1.00 10.00 N ATOM 120 CA GLN A 84 -5.412 -5.847 -1.461 1.00 10.00 C ATOM 121 C GLN A 84 -5.910 -5.775 -0.022 1.00 10.00 C ATOM 122 O GLN A 84 -6.481 -4.758 0.353 1.00 10.00 O ATOM 123 CB GLN A 84 -6.405 -6.603 -2.358 1.00 10.00 C ATOM 124 CG GLN A 84 -7.626 -5.755 -2.735 1.00 10.00 C ATOM 125 CD GLN A 84 -7.344 -4.886 -3.961 1.00 10.00 C ATOM 126 OE1 GLN A 84 -7.618 -5.291 -5.085 1.00 10.00 O ATOM 127 NE2 GLN A 84 -6.780 -3.697 -3.773 1.00 10.00 N ATOM 0 H GLN A 84 -4.010 -7.289 -2.054 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.343 -4.834 -1.857 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.896 -6.924 -3.267 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.739 -7.505 -1.844 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.476 -6.407 -2.937 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -7.904 -5.121 -1.893 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -6.561 -3.380 -2.829 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -6.567 -3.101 -4.573 1.00 10.00 H new ATOM 136 N VAL A 85 -5.698 -6.801 0.807 1.00 10.00 N ATOM 137 CA VAL A 85 -6.051 -6.735 2.202 1.00 10.00 C ATOM 138 C VAL A 85 -5.225 -5.637 2.894 1.00 10.00 C ATOM 139 O VAL A 85 -5.772 -4.878 3.696 1.00 10.00 O ATOM 140 CB VAL A 85 -5.890 -8.147 2.776 1.00 10.00 C ATOM 141 CG1 VAL A 85 -5.841 -8.097 4.289 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.049 -9.047 2.328 1.00 10.00 C ATOM 0 H VAL A 85 -5.280 -7.686 0.521 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.087 -6.439 2.370 1.00 10.00 H new ATOM 0 HB VAL A 85 -4.955 -8.562 2.401 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.726 -9.107 4.683 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -4.996 -7.486 4.606 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -6.766 -7.662 4.669 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.917 -10.045 2.746 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -7.992 -8.628 2.680 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.063 -9.108 1.240 1.00 10.00 H new ATOM 152 N ALA A 86 -3.931 -5.518 2.561 1.00 10.00 N ATOM 153 CA ALA A 86 -3.082 -4.435 3.051 1.00 10.00 C ATOM 154 C ALA A 86 -3.768 -3.086 2.811 1.00 10.00 C ATOM 155 O ALA A 86 -3.973 -2.297 3.731 1.00 10.00 O ATOM 156 CB ALA A 86 -1.685 -4.471 2.406 1.00 10.00 C ATOM 0 H ALA A 86 -3.449 -6.172 1.944 1.00 10.00 H new ATOM 0 HA ALA A 86 -2.939 -4.571 4.123 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.083 -3.650 2.796 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.201 -5.419 2.640 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -1.781 -4.369 1.325 1.00 10.00 H new ATOM 162 N PHE A 87 -4.165 -2.843 1.564 1.00 10.00 N ATOM 163 CA PHE A 87 -4.946 -1.676 1.189 1.00 10.00 C ATOM 164 C PHE A 87 -6.210 -1.550 2.044 1.00 10.00 C ATOM 165 O PHE A 87 -6.398 -0.550 2.740 1.00 10.00 O ATOM 166 CB PHE A 87 -5.221 -1.754 -0.329 1.00 10.00 C ATOM 167 CG PHE A 87 -3.997 -1.407 -1.158 1.00 10.00 C ATOM 168 CD1 PHE A 87 -3.218 -0.297 -0.784 1.00 10.00 C ATOM 169 CD2 PHE A 87 -3.415 -2.391 -1.976 1.00 10.00 C ATOM 170 CE1 PHE A 87 -1.823 -0.367 -0.885 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.021 -2.437 -2.130 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.223 -1.482 -1.487 1.00 10.00 C ATOM 0 H PHE A 87 -3.949 -3.460 0.781 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.391 -0.759 1.387 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.556 -2.760 -0.584 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -6.034 -1.074 -0.584 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -3.692 0.603 -0.421 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.040 -3.110 -2.485 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -1.211 0.436 -0.500 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -1.566 -3.203 -2.740 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.150 -1.604 -1.455 1.00 10.00 H new ATOM 182 N ARG A 88 -7.051 -2.582 2.006 1.00 10.00 N ATOM 183 CA ARG A 88 -8.386 -2.647 2.590 1.00 10.00 C ATOM 184 C ARG A 88 -8.444 -2.109 4.026 1.00 10.00 C ATOM 185 O ARG A 88 -9.457 -1.538 4.420 1.00 10.00 O ATOM 186 CB ARG A 88 -8.880 -4.098 2.480 1.00 10.00 C ATOM 187 CG ARG A 88 -10.397 -4.303 2.533 1.00 10.00 C ATOM 188 CD ARG A 88 -10.980 -4.200 3.946 1.00 10.00 C ATOM 189 NE ARG A 88 -12.151 -5.078 4.085 1.00 10.00 N ATOM 190 CZ ARG A 88 -12.754 -5.360 5.250 1.00 10.00 C ATOM 191 NH1 ARG A 88 -12.391 -4.703 6.357 1.00 10.00 N ATOM 192 NH2 ARG A 88 -13.706 -6.300 5.299 1.00 10.00 N ATOM 0 H ARG A 88 -6.800 -3.451 1.535 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.053 -1.988 2.034 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.511 -4.515 1.543 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.428 -4.676 3.286 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.878 -3.561 1.895 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.638 -5.283 2.120 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -10.222 -4.476 4.679 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.265 -3.169 4.154 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.531 -5.502 3.238 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -11.660 -3.993 6.312 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -12.845 -4.912 7.246 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -13.972 -6.801 4.451 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -14.165 -6.515 6.184 1.00 10.00 H new ATOM 206 N ALA A 89 -7.384 -2.289 4.820 1.00 10.00 N ATOM 207 CA ALA A 89 -7.317 -1.745 6.174 1.00 10.00 C ATOM 208 C ALA A 89 -7.586 -0.230 6.211 1.00 10.00 C ATOM 209 O ALA A 89 -8.473 0.220 6.934 1.00 10.00 O ATOM 210 CB ALA A 89 -5.963 -2.088 6.800 1.00 10.00 C ATOM 0 H ALA A 89 -6.554 -2.813 4.542 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.109 -2.208 6.763 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.916 -1.681 7.810 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.844 -3.171 6.839 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.164 -1.657 6.197 1.00 10.00 H new ATOM 216 N PHE A 90 -6.809 0.553 5.457 1.00 10.00 N ATOM 217 CA PHE A 90 -6.895 2.014 5.418 1.00 10.00 C ATOM 218 C PHE A 90 -7.695 2.521 4.217 1.00 10.00 C ATOM 219 O PHE A 90 -7.900 3.730 4.092 1.00 10.00 O ATOM 220 CB PHE A 90 -5.483 2.562 5.549 1.00 10.00 C ATOM 221 CG PHE A 90 -4.922 2.092 6.880 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.420 2.635 8.080 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.085 0.965 6.924 1.00 10.00 C ATOM 224 CE1 PHE A 90 -5.046 2.083 9.316 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.715 0.412 8.158 1.00 10.00 C ATOM 226 CZ PHE A 90 -4.188 0.971 9.358 1.00 10.00 C ATOM 0 H PHE A 90 -6.086 0.179 4.843 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.475 2.396 6.258 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.860 2.211 4.727 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.490 3.651 5.501 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -6.092 3.480 8.050 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.726 0.524 6.006 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -5.418 2.513 10.234 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -3.063 -0.448 8.187 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.894 0.548 10.307 1.00 10.00 H new ATOM 236 N ASP A 91 -8.141 1.621 3.334 1.00 10.00 N ATOM 237 CA ASP A 91 -8.991 1.961 2.198 1.00 10.00 C ATOM 238 C ASP A 91 -10.357 2.478 2.644 1.00 10.00 C ATOM 239 O ASP A 91 -10.775 2.272 3.784 1.00 10.00 O ATOM 240 CB ASP A 91 -9.143 0.740 1.275 1.00 10.00 C ATOM 241 CG ASP A 91 -9.396 1.091 -0.185 1.00 10.00 C ATOM 242 OD1 ASP A 91 -9.833 2.231 -0.458 1.00 10.00 O ATOM 243 OD2 ASP A 91 -9.100 0.217 -1.024 1.00 10.00 O ATOM 0 H ASP A 91 -7.917 0.628 3.392 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.509 2.768 1.646 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -8.239 0.134 1.340 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -9.966 0.125 1.637 1.00 10.00 H new ATOM 296 N GLY A 96 -9.763 7.104 -2.554 1.00 10.00 N ATOM 297 CA GLY A 96 -8.948 7.723 -1.548 1.00 10.00 C ATOM 298 C GLY A 96 -7.498 7.508 -1.941 1.00 10.00 C ATOM 299 O GLY A 96 -7.133 6.491 -2.529 1.00 10.00 O ATOM 0 HA2 GLY A 96 -9.172 8.787 -1.474 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.149 7.287 -0.570 1.00 10.00 H new ATOM 303 N HIS A 97 -6.671 8.491 -1.617 1.00 10.00 N ATOM 304 CA HIS A 97 -5.232 8.333 -1.634 1.00 10.00 C ATOM 305 C HIS A 97 -4.816 7.496 -0.432 1.00 10.00 C ATOM 306 O HIS A 97 -5.211 7.802 0.693 1.00 10.00 O ATOM 307 CB HIS A 97 -4.540 9.705 -1.584 1.00 10.00 C ATOM 308 CG HIS A 97 -4.248 10.269 -2.948 1.00 10.00 C ATOM 309 ND1 HIS A 97 -4.444 11.560 -3.384 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.593 9.594 -3.936 1.00 10.00 C ATOM 311 CE1 HIS A 97 -3.922 11.647 -4.624 1.00 10.00 C ATOM 312 NE2 HIS A 97 -3.397 10.468 -5.002 1.00 10.00 N ATOM 0 H HIS A 97 -6.983 9.420 -1.335 1.00 10.00 H new ATOM 0 HA HIS A 97 -4.933 7.834 -2.556 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -5.172 10.404 -1.036 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -3.607 9.615 -1.027 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -3.281 8.561 -3.898 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -3.925 12.541 -5.230 1.00 10.00 H new ATOM 0 HE2 HIS A 97 -2.945 10.256 -5.892 1.00 10.00 H new ATOM 320 N ILE A 98 -3.970 6.489 -0.653 1.00 10.00 N ATOM 321 CA ILE A 98 -3.296 5.845 0.448 1.00 10.00 C ATOM 322 C ILE A 98 -2.377 6.824 1.169 1.00 10.00 C ATOM 323 O ILE A 98 -2.124 7.975 0.785 1.00 10.00 O ATOM 324 CB ILE A 98 -2.498 4.584 0.051 1.00 10.00 C ATOM 325 CG1 ILE A 98 -1.472 4.799 -1.042 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.335 3.351 -0.246 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.198 4.040 -0.662 1.00 10.00 C ATOM 0 H ILE A 98 -3.745 6.114 -1.574 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.092 5.513 1.115 1.00 10.00 H new ATOM 0 HB ILE A 98 -1.953 4.379 0.973 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.855 4.442 -1.998 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.260 5.862 -1.160 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -2.680 2.522 -0.514 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -3.915 3.084 0.637 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.012 3.561 -1.074 1.00 10.00 H new ATOM 0 HD11 ILE A 98 0.555 4.182 -1.437 1.00 10.00 H new ATOM 0 HD12 ILE A 98 0.182 4.419 0.287 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.423 2.978 -0.564 1.00 10.00 H new ATOM 339 N THR A 99 -1.902 6.274 2.268 1.00 10.00 N ATOM 340 CA THR A 99 -1.055 6.798 3.282 1.00 10.00 C ATOM 341 C THR A 99 -0.055 5.662 3.474 1.00 10.00 C ATOM 342 O THR A 99 -0.367 4.592 3.992 1.00 10.00 O ATOM 343 CB THR A 99 -2.045 7.152 4.387 1.00 10.00 C ATOM 344 OG1 THR A 99 -2.703 8.348 4.001 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.394 7.330 5.726 1.00 10.00 C ATOM 0 H THR A 99 -2.148 5.308 2.485 1.00 10.00 H new ATOM 0 HA THR A 99 -0.454 7.697 3.142 1.00 10.00 H new ATOM 0 HB THR A 99 -2.746 6.326 4.504 1.00 10.00 H new ATOM 0 HG1 THR A 99 -3.350 8.603 4.692 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.152 7.580 6.469 1.00 10.00 H new ATOM 0 HG22 THR A 99 -0.896 6.404 6.014 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.661 8.135 5.670 1.00 10.00 H new ATOM 353 N VAL A 100 1.136 5.869 2.903 1.00 10.00 N ATOM 354 CA VAL A 100 2.211 4.891 2.835 1.00 10.00 C ATOM 355 C VAL A 100 2.511 4.267 4.204 1.00 10.00 C ATOM 356 O VAL A 100 2.963 3.126 4.295 1.00 10.00 O ATOM 357 CB VAL A 100 3.468 5.483 2.192 1.00 10.00 C ATOM 358 CG1 VAL A 100 3.352 5.522 0.661 1.00 10.00 C ATOM 359 CG2 VAL A 100 3.733 6.882 2.720 1.00 10.00 C ATOM 0 H VAL A 100 1.380 6.756 2.462 1.00 10.00 H new ATOM 0 HA VAL A 100 1.866 4.082 2.191 1.00 10.00 H new ATOM 0 HB VAL A 100 4.303 4.835 2.457 1.00 10.00 H new ATOM 0 HG11 VAL A 100 4.262 5.948 0.238 1.00 10.00 H new ATOM 0 HG12 VAL A 100 3.214 4.510 0.281 1.00 10.00 H new ATOM 0 HG13 VAL A 100 2.497 6.136 0.376 1.00 10.00 H new ATOM 0 HG21 VAL A 100 4.631 7.284 2.250 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.884 7.525 2.489 1.00 10.00 H new ATOM 0 HG23 VAL A 100 3.875 6.842 3.800 1.00 10.00 H new ATOM 369 N ASP A 101 2.305 5.037 5.274 1.00 10.00 N ATOM 370 CA ASP A 101 2.511 4.529 6.624 1.00 10.00 C ATOM 371 C ASP A 101 1.426 3.558 7.066 1.00 10.00 C ATOM 372 O ASP A 101 1.724 2.445 7.492 1.00 10.00 O ATOM 373 CB ASP A 101 2.776 5.652 7.625 1.00 10.00 C ATOM 374 CG ASP A 101 3.852 5.167 8.575 1.00 10.00 C ATOM 375 OD1 ASP A 101 3.572 4.207 9.324 1.00 10.00 O ATOM 376 OD2 ASP A 101 5.008 5.616 8.388 1.00 10.00 O ATOM 0 H ASP A 101 1.998 6.009 5.229 1.00 10.00 H new ATOM 0 HA ASP A 101 3.423 3.932 6.598 1.00 10.00 H new ATOM 0 HB2 ASP A 101 3.098 6.557 7.110 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.866 5.902 8.171 1.00 10.00 H new ATOM 381 N GLU A 102 0.169 3.953 6.904 1.00 10.00 N ATOM 382 CA GLU A 102 -1.011 3.113 7.022 1.00 10.00 C ATOM 383 C GLU A 102 -0.798 1.801 6.261 1.00 10.00 C ATOM 384 O GLU A 102 -1.019 0.719 6.798 1.00 10.00 O ATOM 385 CB GLU A 102 -2.225 3.912 6.543 1.00 10.00 C ATOM 386 CG GLU A 102 -2.946 4.635 7.700 1.00 10.00 C ATOM 387 CD GLU A 102 -2.216 5.799 8.365 1.00 10.00 C ATOM 388 OE1 GLU A 102 -0.968 5.833 8.320 1.00 10.00 O ATOM 389 OE2 GLU A 102 -2.939 6.668 8.893 1.00 10.00 O ATOM 0 H GLU A 102 -0.064 4.919 6.675 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.194 2.830 8.058 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -1.905 4.645 5.803 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -2.925 3.241 6.045 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.899 5.006 7.323 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -3.173 3.897 8.469 1.00 10.00 H new ATOM 396 N LEU A 103 -0.288 1.887 5.034 1.00 10.00 N ATOM 397 CA LEU A 103 0.166 0.728 4.270 1.00 10.00 C ATOM 398 C LEU A 103 1.039 -0.211 5.128 1.00 10.00 C ATOM 399 O LEU A 103 0.784 -1.410 5.234 1.00 10.00 O ATOM 400 CB LEU A 103 0.954 1.244 3.057 1.00 10.00 C ATOM 401 CG LEU A 103 0.444 0.741 1.712 1.00 10.00 C ATOM 402 CD1 LEU A 103 1.367 1.293 0.622 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.505 -0.788 1.628 1.00 10.00 C ATOM 0 H LEU A 103 -0.178 2.771 4.538 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.695 0.144 3.945 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.925 2.334 3.058 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.998 0.953 3.167 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.589 1.066 1.589 1.00 10.00 H new ATOM 0 HD11 LEU A 103 1.025 0.948 -0.354 1.00 10.00 H new ATOM 0 HD12 LEU A 103 1.350 2.383 0.648 1.00 10.00 H new ATOM 0 HD13 LEU A 103 2.384 0.942 0.795 1.00 10.00 H new ATOM 0 HD21 LEU A 103 0.134 -1.114 0.656 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.536 -1.118 1.752 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.112 -1.221 2.416 1.00 10.00 H new ATOM 415 N ARG A 104 2.077 0.351 5.751 1.00 10.00 N ATOM 416 CA ARG A 104 3.028 -0.357 6.602 1.00 10.00 C ATOM 417 C ARG A 104 2.317 -0.957 7.822 1.00 10.00 C ATOM 418 O ARG A 104 2.516 -2.125 8.151 1.00 10.00 O ATOM 419 CB ARG A 104 4.154 0.619 6.999 1.00 10.00 C ATOM 420 CG ARG A 104 5.545 -0.041 7.059 1.00 10.00 C ATOM 421 CD ARG A 104 6.716 0.960 7.166 1.00 10.00 C ATOM 422 NE ARG A 104 6.542 2.185 6.344 1.00 10.00 N ATOM 423 CZ ARG A 104 6.357 3.409 6.870 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.711 3.690 8.123 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.773 4.381 6.169 1.00 10.00 N ATOM 0 H ARG A 104 2.283 1.347 5.672 1.00 10.00 H new ATOM 0 HA ARG A 104 3.471 -1.194 6.062 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.181 1.441 6.284 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.923 1.051 7.973 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.578 -0.715 7.915 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.684 -0.652 6.167 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.838 1.250 8.210 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.636 0.460 6.864 1.00 10.00 H new ATOM 0 HE ARG A 104 6.564 2.093 5.328 1.00 10.00 H new ATOM 0 HH11 ARG A 104 7.133 2.969 8.708 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.560 4.626 8.498 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.457 4.203 5.216 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.642 5.303 6.586 1.00 10.00 H new ATOM 439 N ARG A 105 1.465 -0.164 8.482 1.00 10.00 N ATOM 440 CA ARG A 105 0.591 -0.639 9.549 1.00 10.00 C ATOM 441 C ARG A 105 -0.196 -1.870 9.078 1.00 10.00 C ATOM 442 O ARG A 105 -0.273 -2.867 9.791 1.00 10.00 O ATOM 443 CB ARG A 105 -0.390 0.463 9.994 1.00 10.00 C ATOM 444 CG ARG A 105 -0.063 1.166 11.318 1.00 10.00 C ATOM 445 CD ARG A 105 0.685 2.506 11.183 1.00 10.00 C ATOM 446 NE ARG A 105 2.042 2.425 10.613 1.00 10.00 N ATOM 447 CZ ARG A 105 3.120 1.879 11.193 1.00 10.00 C ATOM 448 NH1 ARG A 105 3.004 1.140 12.301 1.00 10.00 N ATOM 449 NH2 ARG A 105 4.321 2.118 10.668 1.00 10.00 N ATOM 0 H ARG A 105 1.366 0.832 8.286 1.00 10.00 H new ATOM 0 HA ARG A 105 1.216 -0.910 10.400 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.438 1.217 9.208 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.384 0.024 10.075 1.00 10.00 H new ATOM 0 HG2 ARG A 105 -0.994 1.341 11.857 1.00 10.00 H new ATOM 0 HG3 ARG A 105 0.538 0.493 11.929 1.00 10.00 H new ATOM 0 HD2 ARG A 105 0.088 3.173 10.561 1.00 10.00 H new ATOM 0 HD3 ARG A 105 0.752 2.965 12.169 1.00 10.00 H new ATOM 0 HE ARG A 105 2.174 2.825 9.684 1.00 10.00 H new ATOM 0 HH11 ARG A 105 2.086 0.985 12.717 1.00 10.00 H new ATOM 0 HH12 ARG A 105 3.834 0.731 12.731 1.00 10.00 H new ATOM 0 HH21 ARG A 105 4.408 2.707 9.840 1.00 10.00 H new ATOM 0 HH22 ARG A 105 5.154 1.712 11.094 1.00 10.00 H new ATOM 463 N ALA A 106 -0.805 -1.810 7.892 1.00 10.00 N ATOM 464 CA ALA A 106 -1.696 -2.857 7.420 1.00 10.00 C ATOM 465 C ALA A 106 -0.986 -4.206 7.382 1.00 10.00 C ATOM 466 O ALA A 106 -1.518 -5.222 7.830 1.00 10.00 O ATOM 467 CB ALA A 106 -2.214 -2.491 6.035 1.00 10.00 C ATOM 0 H ALA A 106 -0.691 -1.035 7.238 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.534 -2.943 8.112 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.883 -3.274 5.678 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.756 -1.547 6.087 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.374 -2.390 5.348 1.00 10.00 H new ATOM 473 N MET A 107 0.246 -4.197 6.874 1.00 10.00 N ATOM 474 CA MET A 107 1.094 -5.376 6.861 1.00 10.00 C ATOM 475 C MET A 107 1.285 -5.974 8.266 1.00 10.00 C ATOM 476 O MET A 107 1.358 -7.194 8.422 1.00 10.00 O ATOM 477 CB MET A 107 2.408 -5.049 6.143 1.00 10.00 C ATOM 478 CG MET A 107 2.192 -4.675 4.667 1.00 10.00 C ATOM 479 SD MET A 107 1.477 -5.983 3.645 1.00 10.00 S ATOM 480 CE MET A 107 1.619 -5.257 2.003 1.00 10.00 C ATOM 0 H MET A 107 0.679 -3.370 6.462 1.00 10.00 H new ATOM 0 HA MET A 107 0.600 -6.167 6.297 1.00 10.00 H new ATOM 0 HB2 MET A 107 2.903 -4.224 6.655 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.076 -5.909 6.203 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.542 -3.802 4.620 1.00 10.00 H new ATOM 0 HG3 MET A 107 3.150 -4.382 4.238 1.00 10.00 H new ATOM 0 HE1 MET A 107 0.762 -5.554 1.398 1.00 10.00 H new ATOM 0 HE2 MET A 107 1.645 -4.171 2.087 1.00 10.00 H new ATOM 0 HE3 MET A 107 2.536 -5.606 1.529 1.00 10.00 H new ATOM 490 N ALA A 108 1.302 -5.139 9.311 1.00 10.00 N ATOM 491 CA ALA A 108 1.303 -5.632 10.683 1.00 10.00 C ATOM 492 C ALA A 108 0.026 -6.420 10.974 1.00 10.00 C ATOM 493 O ALA A 108 0.081 -7.482 11.585 1.00 10.00 O ATOM 494 CB ALA A 108 1.457 -4.476 11.673 1.00 10.00 C ATOM 0 H ALA A 108 1.315 -4.122 9.228 1.00 10.00 H new ATOM 0 HA ALA A 108 2.155 -6.302 10.803 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.455 -4.866 12.691 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.397 -3.958 11.484 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.628 -3.779 11.550 1.00 10.00 H new ATOM 500 N GLY A 109 -1.119 -5.899 10.525 1.00 10.00 N ATOM 501 CA GLY A 109 -2.406 -6.569 10.643 1.00 10.00 C ATOM 502 C GLY A 109 -2.387 -7.926 9.940 1.00 10.00 C ATOM 503 O GLY A 109 -2.838 -8.920 10.504 1.00 10.00 O ATOM 0 H GLY A 109 -1.173 -4.990 10.065 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.653 -6.705 11.696 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.186 -5.943 10.210 1.00 10.00 H new ATOM 507 N LEU A 110 -1.858 -7.970 8.713 1.00 10.00 N ATOM 508 CA LEU A 110 -1.646 -9.230 7.999 1.00 10.00 C ATOM 509 C LEU A 110 -0.767 -10.183 8.816 1.00 10.00 C ATOM 510 O LEU A 110 -1.059 -11.375 8.886 1.00 10.00 O ATOM 511 CB LEU A 110 -1.065 -8.969 6.605 1.00 10.00 C ATOM 512 CG LEU A 110 -2.152 -8.548 5.608 1.00 10.00 C ATOM 513 CD1 LEU A 110 -1.562 -7.666 4.506 1.00 10.00 C ATOM 514 CD2 LEU A 110 -2.781 -9.795 4.970 1.00 10.00 C ATOM 0 H LEU A 110 -1.568 -7.142 8.193 1.00 10.00 H new ATOM 0 HA LEU A 110 -2.611 -9.719 7.866 1.00 10.00 H new ATOM 0 HB2 LEU A 110 -0.306 -8.189 6.667 1.00 10.00 H new ATOM 0 HB3 LEU A 110 -0.568 -9.869 6.243 1.00 10.00 H new ATOM 0 HG LEU A 110 -2.912 -7.982 6.147 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -2.350 -7.378 3.809 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -1.126 -6.771 4.950 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -0.789 -8.219 3.972 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -3.553 -9.492 4.262 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -2.012 -10.363 4.447 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -3.226 -10.416 5.747 1.00 10.00 H new ATOM 526 N GLY A 111 0.279 -9.659 9.461 1.00 10.00 N ATOM 527 CA GLY A 111 1.082 -10.396 10.423 1.00 10.00 C ATOM 528 C GLY A 111 2.571 -10.149 10.214 1.00 10.00 C ATOM 529 O GLY A 111 3.353 -10.221 11.158 1.00 10.00 O ATOM 0 H GLY A 111 0.591 -8.698 9.323 1.00 10.00 H new ATOM 0 HA2 GLY A 111 0.802 -10.101 11.434 1.00 10.00 H new ATOM 0 HA3 GLY A 111 0.873 -11.462 10.332 1.00 10.00 H new ATOM 533 N GLN A 112 2.958 -9.866 8.970 1.00 10.00 N ATOM 534 CA GLN A 112 4.324 -9.607 8.545 1.00 10.00 C ATOM 535 C GLN A 112 4.512 -8.102 8.305 1.00 10.00 C ATOM 536 O GLN A 112 4.444 -7.663 7.160 1.00 10.00 O ATOM 537 CB GLN A 112 4.665 -10.511 7.336 1.00 10.00 C ATOM 538 CG GLN A 112 4.102 -10.171 5.940 1.00 10.00 C ATOM 539 CD GLN A 112 2.643 -9.723 5.914 1.00 10.00 C ATOM 540 OE1 GLN A 112 1.792 -10.340 6.542 1.00 10.00 O ATOM 541 NE2 GLN A 112 2.350 -8.636 5.207 1.00 10.00 N ATOM 0 H GLN A 112 2.293 -9.810 8.199 1.00 10.00 H new ATOM 0 HA GLN A 112 5.042 -9.869 9.322 1.00 10.00 H new ATOM 0 HB2 GLN A 112 5.751 -10.542 7.250 1.00 10.00 H new ATOM 0 HB3 GLN A 112 4.336 -11.521 7.582 1.00 10.00 H new ATOM 0 HG2 GLN A 112 4.714 -9.383 5.502 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.207 -11.048 5.301 1.00 10.00 H new ATOM 0 HE21 GLN A 112 3.085 -8.147 4.696 1.00 10.00 H new ATOM 0 HE22 GLN A 112 1.391 -8.291 5.176 1.00 10.00 H new ATOM 550 N PRO A 113 4.739 -7.277 9.344 1.00 10.00 N ATOM 551 CA PRO A 113 4.917 -5.844 9.163 1.00 10.00 C ATOM 552 C PRO A 113 6.144 -5.587 8.289 1.00 10.00 C ATOM 553 O PRO A 113 7.271 -5.660 8.776 1.00 10.00 O ATOM 554 CB PRO A 113 5.080 -5.257 10.570 1.00 10.00 C ATOM 555 CG PRO A 113 5.592 -6.434 11.396 1.00 10.00 C ATOM 556 CD PRO A 113 4.914 -7.636 10.742 1.00 10.00 C ATOM 0 HA PRO A 113 4.071 -5.378 8.658 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.785 -4.426 10.578 1.00 10.00 H new ATOM 0 HB3 PRO A 113 4.135 -4.877 10.957 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.678 -6.513 11.356 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.318 -6.339 12.447 1.00 10.00 H new ATOM 0 HD2 PRO A 113 5.525 -8.533 10.842 1.00 10.00 H new ATOM 0 HD3 PRO A 113 3.955 -7.850 11.214 1.00 10.00 H new ATOM 564 N LEU A 114 5.923 -5.305 7.000 1.00 10.00 N ATOM 565 CA LEU A 114 6.996 -5.043 6.056 1.00 10.00 C ATOM 566 C LEU A 114 7.945 -3.994 6.646 1.00 10.00 C ATOM 567 O LEU A 114 7.496 -2.893 6.978 1.00 10.00 O ATOM 568 CB LEU A 114 6.438 -4.548 4.715 1.00 10.00 C ATOM 569 CG LEU A 114 5.870 -5.628 3.779 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.474 -4.954 2.459 1.00 10.00 C ATOM 571 CD2 LEU A 114 6.884 -6.734 3.458 1.00 10.00 C ATOM 0 H LEU A 114 4.991 -5.254 6.589 1.00 10.00 H new ATOM 0 HA LEU A 114 7.538 -5.971 5.876 1.00 10.00 H new ATOM 0 HB2 LEU A 114 5.651 -3.821 4.918 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.232 -4.019 4.187 1.00 10.00 H new ATOM 0 HG LEU A 114 5.022 -6.090 4.285 1.00 10.00 H new ATOM 0 HD11 LEU A 114 5.068 -5.701 1.777 1.00 10.00 H new ATOM 0 HD12 LEU A 114 4.720 -4.190 2.652 1.00 10.00 H new ATOM 0 HD13 LEU A 114 6.352 -4.491 2.009 1.00 10.00 H new ATOM 0 HD21 LEU A 114 6.425 -7.467 2.794 1.00 10.00 H new ATOM 0 HD22 LEU A 114 7.756 -6.298 2.970 1.00 10.00 H new ATOM 0 HD23 LEU A 114 7.192 -7.224 4.381 1.00 10.00 H new ATOM 583 N PRO A 115 9.235 -4.324 6.820 1.00 10.00 N ATOM 584 CA PRO A 115 10.179 -3.439 7.465 1.00 10.00 C ATOM 585 C PRO A 115 10.433 -2.206 6.602 1.00 10.00 C ATOM 586 O PRO A 115 9.995 -2.115 5.450 1.00 10.00 O ATOM 587 CB PRO A 115 11.440 -4.275 7.700 1.00 10.00 C ATOM 588 CG PRO A 115 11.377 -5.311 6.582 1.00 10.00 C ATOM 589 CD PRO A 115 9.878 -5.574 6.456 1.00 10.00 C ATOM 0 HA PRO A 115 9.806 -3.052 8.413 1.00 10.00 H new ATOM 0 HB2 PRO A 115 12.344 -3.669 7.638 1.00 10.00 H new ATOM 0 HB3 PRO A 115 11.437 -4.743 8.685 1.00 10.00 H new ATOM 0 HG2 PRO A 115 11.801 -4.931 5.653 1.00 10.00 H new ATOM 0 HG3 PRO A 115 11.927 -6.217 6.837 1.00 10.00 H new ATOM 0 HD2 PRO A 115 9.615 -5.870 5.440 1.00 10.00 H new ATOM 0 HD3 PRO A 115 9.564 -6.384 7.115 1.00 10.00 H new ATOM 597 N GLN A 116 11.136 -1.237 7.194 1.00 10.00 N ATOM 598 CA GLN A 116 11.240 0.095 6.629 1.00 10.00 C ATOM 599 C GLN A 116 11.765 0.039 5.200 1.00 10.00 C ATOM 600 O GLN A 116 11.140 0.614 4.327 1.00 10.00 O ATOM 601 CB GLN A 116 12.052 1.029 7.545 1.00 10.00 C ATOM 602 CG GLN A 116 11.262 2.303 7.891 1.00 10.00 C ATOM 603 CD GLN A 116 9.985 2.069 8.707 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.168 2.969 8.866 1.00 10.00 O ATOM 605 NE2 GLN A 116 9.758 0.865 9.224 1.00 10.00 N ATOM 0 H GLN A 116 11.642 -1.360 8.071 1.00 10.00 H new ATOM 0 HA GLN A 116 10.242 0.529 6.571 1.00 10.00 H new ATOM 0 HB2 GLN A 116 12.316 0.502 8.462 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.986 1.301 7.054 1.00 10.00 H new ATOM 0 HG2 GLN A 116 11.913 2.977 8.448 1.00 10.00 H new ATOM 0 HG3 GLN A 116 10.996 2.811 6.964 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.438 0.117 9.091 1.00 10.00 H new ATOM 0 HE22 GLN A 116 8.904 0.690 9.753 1.00 10.00 H new ATOM 614 N GLU A 117 12.855 -0.687 4.950 1.00 10.00 N ATOM 615 CA GLU A 117 13.446 -0.837 3.624 1.00 10.00 C ATOM 616 C GLU A 117 12.451 -1.373 2.592 1.00 10.00 C ATOM 617 O GLU A 117 12.401 -0.870 1.471 1.00 10.00 O ATOM 618 CB GLU A 117 14.688 -1.726 3.741 1.00 10.00 C ATOM 619 CG GLU A 117 15.720 -1.084 4.680 1.00 10.00 C ATOM 620 CD GLU A 117 16.965 -1.949 4.803 1.00 10.00 C ATOM 621 OE1 GLU A 117 17.764 -1.933 3.844 1.00 10.00 O ATOM 622 OE2 GLU A 117 17.084 -2.614 5.855 1.00 10.00 O ATOM 0 H GLU A 117 13.359 -1.195 5.677 1.00 10.00 H new ATOM 0 HA GLU A 117 13.736 0.147 3.255 1.00 10.00 H new ATOM 0 HB2 GLU A 117 14.405 -2.709 4.119 1.00 10.00 H new ATOM 0 HB3 GLU A 117 15.128 -1.878 2.756 1.00 10.00 H new ATOM 0 HG2 GLU A 117 15.994 -0.099 4.304 1.00 10.00 H new ATOM 0 HG3 GLU A 117 15.277 -0.937 5.665 1.00 10.00 H new ATOM 629 N GLU A 118 11.638 -2.366 2.958 1.00 10.00 N ATOM 630 CA GLU A 118 10.691 -2.954 2.022 1.00 10.00 C ATOM 631 C GLU A 118 9.652 -1.896 1.664 1.00 10.00 C ATOM 632 O GLU A 118 9.392 -1.609 0.492 1.00 10.00 O ATOM 633 CB GLU A 118 10.037 -4.193 2.652 1.00 10.00 C ATOM 634 CG GLU A 118 11.029 -5.357 2.783 1.00 10.00 C ATOM 635 CD GLU A 118 11.294 -6.017 1.437 1.00 10.00 C ATOM 636 OE1 GLU A 118 10.355 -6.679 0.949 1.00 10.00 O ATOM 637 OE2 GLU A 118 12.420 -5.841 0.926 1.00 10.00 O ATOM 0 H GLU A 118 11.620 -2.775 3.892 1.00 10.00 H new ATOM 0 HA GLU A 118 11.198 -3.277 1.113 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.646 -3.936 3.636 1.00 10.00 H new ATOM 0 HB3 GLU A 118 9.189 -4.505 2.043 1.00 10.00 H new ATOM 0 HG2 GLU A 118 11.967 -4.992 3.202 1.00 10.00 H new ATOM 0 HG3 GLU A 118 10.635 -6.096 3.481 1.00 10.00 H new ATOM 644 N LEU A 119 9.062 -1.291 2.695 1.00 10.00 N ATOM 645 CA LEU A 119 8.032 -0.293 2.471 1.00 10.00 C ATOM 646 C LEU A 119 8.619 1.000 1.890 1.00 10.00 C ATOM 647 O LEU A 119 7.887 1.742 1.259 1.00 10.00 O ATOM 648 CB LEU A 119 7.231 -0.043 3.752 1.00 10.00 C ATOM 649 CG LEU A 119 5.704 0.110 3.529 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.276 1.041 2.398 1.00 10.00 C ATOM 651 CD2 LEU A 119 5.020 -1.244 3.318 1.00 10.00 C ATOM 0 H LEU A 119 9.279 -1.474 3.675 1.00 10.00 H new ATOM 0 HA LEU A 119 7.338 -0.681 1.725 1.00 10.00 H new ATOM 0 HB2 LEU A 119 7.405 -0.868 4.442 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.609 0.860 4.233 1.00 10.00 H new ATOM 0 HG LEU A 119 5.379 0.580 4.457 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.188 1.066 2.340 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.653 2.045 2.591 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.682 0.677 1.454 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.951 -1.092 3.165 1.00 10.00 H new ATOM 0 HD22 LEU A 119 5.445 -1.734 2.442 1.00 10.00 H new ATOM 0 HD23 LEU A 119 5.176 -1.871 4.196 1.00 10.00 H new ATOM 663 N ASP A 120 9.906 1.289 2.096 1.00 10.00 N ATOM 664 CA ASP A 120 10.628 2.441 1.552 1.00 10.00 C ATOM 665 C ASP A 120 10.808 2.264 0.045 1.00 10.00 C ATOM 666 O ASP A 120 10.429 3.108 -0.769 1.00 10.00 O ATOM 667 CB ASP A 120 11.990 2.613 2.227 1.00 10.00 C ATOM 668 CG ASP A 120 12.714 3.812 1.637 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.425 4.931 2.111 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.529 3.588 0.718 1.00 10.00 O ATOM 0 H ASP A 120 10.502 0.697 2.675 1.00 10.00 H new ATOM 0 HA ASP A 120 10.043 3.339 1.749 1.00 10.00 H new ATOM 0 HB2 ASP A 120 11.859 2.749 3.300 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.589 1.713 2.091 1.00 10.00 H new ATOM 675 N ALA A 121 11.349 1.098 -0.314 1.00 10.00 N ATOM 676 CA ALA A 121 11.475 0.659 -1.688 1.00 10.00 C ATOM 677 C ALA A 121 10.120 0.793 -2.390 1.00 10.00 C ATOM 678 O ALA A 121 10.033 1.418 -3.449 1.00 10.00 O ATOM 679 CB ALA A 121 12.031 -0.768 -1.686 1.00 10.00 C ATOM 0 H ALA A 121 11.716 0.427 0.361 1.00 10.00 H new ATOM 0 HA ALA A 121 12.172 1.279 -2.252 1.00 10.00 H new ATOM 0 HB1 ALA A 121 12.134 -1.120 -2.713 1.00 10.00 H new ATOM 0 HB2 ALA A 121 13.006 -0.778 -1.199 1.00 10.00 H new ATOM 0 HB3 ALA A 121 11.349 -1.424 -1.145 1.00 10.00 H new ATOM 685 N MET A 122 9.046 0.277 -1.776 1.00 10.00 N ATOM 686 CA MET A 122 7.707 0.536 -2.266 1.00 10.00 C ATOM 687 C MET A 122 7.366 2.025 -2.278 1.00 10.00 C ATOM 688 O MET A 122 6.929 2.503 -3.311 1.00 10.00 O ATOM 689 CB MET A 122 6.669 -0.304 -1.505 1.00 10.00 C ATOM 690 CG MET A 122 6.370 -1.569 -2.316 1.00 10.00 C ATOM 691 SD MET A 122 5.571 -1.252 -3.917 1.00 10.00 S ATOM 692 CE MET A 122 6.350 -2.543 -4.900 1.00 10.00 C ATOM 0 H MET A 122 9.089 -0.316 -0.947 1.00 10.00 H new ATOM 0 HA MET A 122 7.675 0.221 -3.309 1.00 10.00 H new ATOM 0 HB2 MET A 122 7.048 -0.569 -0.518 1.00 10.00 H new ATOM 0 HB3 MET A 122 5.756 0.271 -1.352 1.00 10.00 H new ATOM 0 HG2 MET A 122 7.303 -2.107 -2.488 1.00 10.00 H new ATOM 0 HG3 MET A 122 5.729 -2.223 -1.725 1.00 10.00 H new ATOM 0 HE1 MET A 122 5.975 -2.498 -5.922 1.00 10.00 H new ATOM 0 HE2 MET A 122 7.430 -2.396 -4.903 1.00 10.00 H new ATOM 0 HE3 MET A 122 6.118 -3.517 -4.470 1.00 10.00 H new ATOM 702 N ILE A 123 7.554 2.762 -1.181 1.00 10.00 N ATOM 703 CA ILE A 123 7.219 4.181 -1.024 1.00 10.00 C ATOM 704 C ILE A 123 7.619 4.961 -2.283 1.00 10.00 C ATOM 705 O ILE A 123 6.832 5.740 -2.810 1.00 10.00 O ATOM 706 CB ILE A 123 7.855 4.760 0.264 1.00 10.00 C ATOM 707 CG1 ILE A 123 6.851 4.709 1.426 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.374 6.202 0.119 1.00 10.00 C ATOM 709 CD1 ILE A 123 7.511 4.677 2.809 1.00 10.00 C ATOM 0 H ILE A 123 7.965 2.366 -0.335 1.00 10.00 H new ATOM 0 HA ILE A 123 6.140 4.283 -0.909 1.00 10.00 H new ATOM 0 HB ILE A 123 8.721 4.129 0.466 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.195 5.577 1.366 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.222 3.826 1.313 1.00 10.00 H new ATOM 0 HG21 ILE A 123 8.803 6.531 1.065 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.138 6.237 -0.658 1.00 10.00 H new ATOM 0 HG23 ILE A 123 7.549 6.860 -0.153 1.00 10.00 H new ATOM 0 HD11 ILE A 123 6.740 4.642 3.579 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.145 3.794 2.889 1.00 10.00 H new ATOM 0 HD13 ILE A 123 8.118 5.573 2.944 1.00 10.00 H new ATOM 721 N ARG A 124 8.847 4.740 -2.766 1.00 10.00 N ATOM 722 CA ARG A 124 9.348 5.388 -3.973 1.00 10.00 C ATOM 723 C ARG A 124 8.479 5.037 -5.188 1.00 10.00 C ATOM 724 O ARG A 124 8.054 5.928 -5.929 1.00 10.00 O ATOM 725 CB ARG A 124 10.824 4.992 -4.161 1.00 10.00 C ATOM 726 CG ARG A 124 11.600 5.738 -5.264 1.00 10.00 C ATOM 727 CD ARG A 124 11.403 5.191 -6.689 1.00 10.00 C ATOM 728 NE ARG A 124 10.252 5.818 -7.353 1.00 10.00 N ATOM 729 CZ ARG A 124 9.637 5.388 -8.465 1.00 10.00 C ATOM 730 NH1 ARG A 124 10.231 4.487 -9.254 1.00 10.00 N ATOM 731 NH2 ARG A 124 8.409 5.841 -8.737 1.00 10.00 N ATOM 0 H ARG A 124 9.517 4.107 -2.329 1.00 10.00 H new ATOM 0 HA ARG A 124 9.291 6.472 -3.872 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.342 5.147 -3.215 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.866 3.924 -4.376 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.302 6.786 -5.250 1.00 10.00 H new ATOM 0 HG3 ARG A 124 12.663 5.706 -5.023 1.00 10.00 H new ATOM 0 HD2 ARG A 124 12.304 5.369 -7.276 1.00 10.00 H new ATOM 0 HD3 ARG A 124 11.257 4.112 -6.648 1.00 10.00 H new ATOM 0 HE ARG A 124 9.883 6.667 -6.925 1.00 10.00 H new ATOM 0 HH11 ARG A 124 11.153 4.125 -9.011 1.00 10.00 H new ATOM 0 HH12 ARG A 124 9.762 4.161 -10.099 1.00 10.00 H new ATOM 0 HH21 ARG A 124 7.957 6.501 -8.104 1.00 10.00 H new ATOM 0 HH22 ARG A 124 7.924 5.527 -9.577 1.00 10.00 H new ATOM 745 N GLU A 125 8.300 3.739 -5.453 1.00 10.00 N ATOM 746 CA GLU A 125 7.553 3.224 -6.600 1.00 10.00 C ATOM 747 C GLU A 125 6.116 3.727 -6.565 1.00 10.00 C ATOM 748 O GLU A 125 5.609 4.270 -7.549 1.00 10.00 O ATOM 749 CB GLU A 125 7.674 1.693 -6.612 1.00 10.00 C ATOM 750 CG GLU A 125 7.037 1.041 -7.849 1.00 10.00 C ATOM 751 CD GLU A 125 5.705 0.372 -7.523 1.00 10.00 C ATOM 752 OE1 GLU A 125 4.863 1.053 -6.903 1.00 10.00 O ATOM 753 OE2 GLU A 125 5.571 -0.816 -7.880 1.00 10.00 O ATOM 0 H GLU A 125 8.681 3.001 -4.860 1.00 10.00 H new ATOM 0 HA GLU A 125 7.968 3.593 -7.538 1.00 10.00 H new ATOM 0 HB2 GLU A 125 8.728 1.419 -6.568 1.00 10.00 H new ATOM 0 HB3 GLU A 125 7.202 1.291 -5.715 1.00 10.00 H new ATOM 0 HG2 GLU A 125 6.884 1.798 -8.619 1.00 10.00 H new ATOM 0 HG3 GLU A 125 7.723 0.301 -8.262 1.00 10.00 H new ATOM 760 N ALA A 126 5.528 3.603 -5.383 1.00 10.00 N ATOM 761 CA ALA A 126 4.206 3.996 -4.974 1.00 10.00 C ATOM 762 C ALA A 126 4.074 5.514 -4.985 1.00 10.00 C ATOM 763 O ALA A 126 3.882 6.131 -3.939 1.00 10.00 O ATOM 764 CB ALA A 126 3.998 3.433 -3.568 1.00 10.00 C ATOM 0 H ALA A 126 6.032 3.175 -4.607 1.00 10.00 H new ATOM 0 HA ALA A 126 3.449 3.610 -5.657 1.00 10.00 H new ATOM 0 HB1 ALA A 126 3.005 3.705 -3.210 1.00 10.00 H new ATOM 0 HB2 ALA A 126 4.090 2.347 -3.594 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.751 3.845 -2.896 1.00 10.00 H new ATOM 770 N ASP A 127 4.151 6.111 -6.173 1.00 10.00 N ATOM 771 CA ASP A 127 3.879 7.522 -6.356 1.00 10.00 C ATOM 772 C ASP A 127 3.205 7.771 -7.702 1.00 10.00 C ATOM 773 O ASP A 127 3.862 7.861 -8.738 1.00 10.00 O ATOM 774 CB ASP A 127 5.170 8.317 -6.219 1.00 10.00 C ATOM 775 CG ASP A 127 4.889 9.804 -6.157 1.00 10.00 C ATOM 776 OD1 ASP A 127 3.734 10.221 -5.882 1.00 10.00 O ATOM 777 OD2 ASP A 127 5.875 10.551 -6.303 1.00 10.00 O ATOM 0 H ASP A 127 4.405 5.623 -7.032 1.00 10.00 H new ATOM 0 HA ASP A 127 3.189 7.857 -5.582 1.00 10.00 H new ATOM 0 HB2 ASP A 127 5.699 8.006 -5.318 1.00 10.00 H new ATOM 0 HB3 ASP A 127 5.825 8.102 -7.064 1.00 10.00 H new ATOM 782 N VAL A 128 1.879 7.864 -7.674 1.00 10.00 N ATOM 783 CA VAL A 128 1.049 8.256 -8.797 1.00 10.00 C ATOM 784 C VAL A 128 1.178 9.769 -9.001 1.00 10.00 C ATOM 785 O VAL A 128 1.295 10.231 -10.134 1.00 10.00 O ATOM 786 CB VAL A 128 -0.411 7.839 -8.512 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.382 8.308 -9.600 1.00 10.00 C ATOM 788 CG2 VAL A 128 -0.526 6.314 -8.366 1.00 10.00 C ATOM 0 H VAL A 128 1.337 7.660 -6.834 1.00 10.00 H new ATOM 0 HA VAL A 128 1.369 7.760 -9.713 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.687 8.326 -7.577 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.393 7.987 -9.348 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.353 9.395 -9.670 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.092 7.875 -10.558 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -1.563 6.045 -8.166 1.00 10.00 H new ATOM 0 HG22 VAL A 128 -0.198 5.834 -9.288 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.102 5.979 -7.540 1.00 10.00 H new ATOM 798 N ASP A 129 1.104 10.535 -7.907 1.00 10.00 N ATOM 799 CA ASP A 129 0.908 11.981 -7.974 1.00 10.00 C ATOM 800 C ASP A 129 2.206 12.727 -8.316 1.00 10.00 C ATOM 801 O ASP A 129 2.231 13.468 -9.299 1.00 10.00 O ATOM 802 CB ASP A 129 0.282 12.469 -6.658 1.00 10.00 C ATOM 803 CG ASP A 129 -0.581 13.716 -6.819 1.00 10.00 C ATOM 804 OD1 ASP A 129 -0.256 14.543 -7.696 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.562 13.817 -6.048 1.00 10.00 O ATOM 0 H ASP A 129 1.178 10.170 -6.958 1.00 10.00 H new ATOM 0 HA ASP A 129 0.221 12.205 -8.790 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -0.326 11.669 -6.235 1.00 10.00 H new ATOM 0 HB3 ASP A 129 1.077 12.677 -5.942 1.00 10.00 H new ATOM 810 N GLN A 130 3.269 12.505 -7.520 1.00 10.00 N ATOM 811 CA GLN A 130 4.573 13.176 -7.465 1.00 10.00 C ATOM 812 C GLN A 130 4.827 13.707 -6.046 1.00 10.00 C ATOM 813 O GLN A 130 4.886 14.916 -5.825 1.00 10.00 O ATOM 814 CB GLN A 130 4.795 14.256 -8.526 1.00 10.00 C ATOM 815 CG GLN A 130 5.125 13.640 -9.895 1.00 10.00 C ATOM 816 CD GLN A 130 4.858 14.621 -11.027 1.00 10.00 C ATOM 817 OE1 GLN A 130 5.777 15.105 -11.681 1.00 10.00 O ATOM 818 NE2 GLN A 130 3.586 14.914 -11.270 1.00 10.00 N ATOM 0 H GLN A 130 3.224 11.764 -6.820 1.00 10.00 H new ATOM 0 HA GLN A 130 5.313 12.415 -7.712 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.901 14.875 -8.610 1.00 10.00 H new ATOM 0 HB3 GLN A 130 5.608 14.912 -8.215 1.00 10.00 H new ATOM 0 HG2 GLN A 130 6.171 13.335 -9.915 1.00 10.00 H new ATOM 0 HG3 GLN A 130 4.528 12.740 -10.044 1.00 10.00 H new ATOM 0 HE21 GLN A 130 2.849 14.492 -10.705 1.00 10.00 H new ATOM 0 HE22 GLN A 130 3.346 15.561 -12.021 1.00 10.00 H new ATOM 827 N ASP A 131 5.007 12.781 -5.103 1.00 10.00 N ATOM 828 CA ASP A 131 5.460 12.975 -3.727 1.00 10.00 C ATOM 829 C ASP A 131 5.609 11.596 -3.076 1.00 10.00 C ATOM 830 O ASP A 131 6.619 11.274 -2.451 1.00 10.00 O ATOM 831 CB ASP A 131 4.457 13.822 -2.911 1.00 10.00 C ATOM 832 CG ASP A 131 5.086 15.047 -2.254 1.00 10.00 C ATOM 833 OD1 ASP A 131 6.279 14.971 -1.888 1.00 10.00 O ATOM 834 OD2 ASP A 131 4.335 16.031 -2.074 1.00 10.00 O ATOM 0 H ASP A 131 4.825 11.797 -5.299 1.00 10.00 H new ATOM 0 HA ASP A 131 6.410 13.509 -3.740 1.00 10.00 H new ATOM 0 HB2 ASP A 131 3.650 14.146 -3.567 1.00 10.00 H new ATOM 0 HB3 ASP A 131 4.009 13.196 -2.139 1.00 10.00 H new ATOM 839 N GLY A 132 4.551 10.797 -3.214 1.00 10.00 N ATOM 840 CA GLY A 132 4.362 9.493 -2.598 1.00 10.00 C ATOM 841 C GLY A 132 2.867 9.299 -2.359 1.00 10.00 C ATOM 842 O GLY A 132 2.446 8.991 -1.242 1.00 10.00 O ATOM 0 H GLY A 132 3.757 11.064 -3.796 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.750 8.706 -3.244 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.910 9.432 -1.658 1.00 10.00 H new ATOM 846 N ARG A 133 2.056 9.546 -3.393 1.00 10.00 N ATOM 847 CA ARG A 133 0.598 9.546 -3.299 1.00 10.00 C ATOM 848 C ARG A 133 0.032 8.651 -4.389 1.00 10.00 C ATOM 849 O ARG A 133 0.466 8.737 -5.533 1.00 10.00 O ATOM 850 CB ARG A 133 0.065 10.976 -3.415 1.00 10.00 C ATOM 851 CG ARG A 133 0.146 11.757 -2.101 1.00 10.00 C ATOM 852 CD ARG A 133 -0.839 11.203 -1.060 1.00 10.00 C ATOM 853 NE ARG A 133 -0.949 12.106 0.090 1.00 10.00 N ATOM 854 CZ ARG A 133 -1.606 11.846 1.233 1.00 10.00 C ATOM 855 NH1 ARG A 133 -2.114 10.631 1.493 1.00 10.00 N ATOM 856 NH2 ARG A 133 -1.754 12.834 2.124 1.00 10.00 N ATOM 0 H ARG A 133 2.402 9.754 -4.330 1.00 10.00 H new ATOM 0 HA ARG A 133 0.285 9.156 -2.331 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.630 11.507 -4.181 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.972 10.945 -3.748 1.00 10.00 H new ATOM 0 HG2 ARG A 133 1.161 11.706 -1.707 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -0.071 12.809 -2.287 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -1.819 11.069 -1.517 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -0.506 10.221 -0.725 1.00 10.00 H new ATOM 0 HE ARG A 133 -0.486 13.012 0.016 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -2.006 9.877 0.815 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -2.608 10.462 2.369 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -1.372 13.759 1.928 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -2.249 12.662 2.999 1.00 10.00 H new ATOM 870 N VAL A 134 -0.856 7.733 -3.991 1.00 10.00 N ATOM 871 CA VAL A 134 -1.134 6.477 -4.674 1.00 10.00 C ATOM 872 C VAL A 134 -2.603 6.131 -4.383 1.00 10.00 C ATOM 873 O VAL A 134 -2.994 6.131 -3.221 1.00 10.00 O ATOM 874 CB VAL A 134 -0.163 5.394 -4.124 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.458 4.493 -5.187 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.959 5.972 -3.240 1.00 10.00 C ATOM 0 H VAL A 134 -1.420 7.855 -3.150 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.984 6.540 -5.752 1.00 10.00 H new ATOM 0 HB VAL A 134 -0.819 4.776 -3.511 1.00 10.00 H new ATOM 0 HG11 VAL A 134 1.120 3.770 -4.710 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.331 3.965 -5.722 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.030 5.100 -5.889 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.600 5.163 -2.890 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.552 6.679 -3.820 1.00 10.00 H new ATOM 0 HG23 VAL A 134 0.520 6.484 -2.383 1.00 10.00 H new ATOM 886 N ASN A 135 -3.448 5.905 -5.391 1.00 10.00 N ATOM 887 CA ASN A 135 -4.826 5.436 -5.185 1.00 10.00 C ATOM 888 C ASN A 135 -4.758 3.984 -4.688 1.00 10.00 C ATOM 889 O ASN A 135 -3.857 3.268 -5.111 1.00 10.00 O ATOM 890 CB ASN A 135 -5.588 5.616 -6.515 1.00 10.00 C ATOM 891 CG ASN A 135 -6.863 4.786 -6.699 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.905 3.596 -6.406 1.00 10.00 O ATOM 893 ND2 ASN A 135 -7.902 5.379 -7.278 1.00 10.00 N ATOM 0 H ASN A 135 -3.201 6.040 -6.371 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.369 6.003 -4.429 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -5.851 6.669 -6.616 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -4.907 5.378 -7.332 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -8.746 4.844 -7.483 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -7.856 6.369 -7.517 1.00 10.00 H new ATOM 900 N TYR A 136 -5.645 3.532 -3.788 1.00 10.00 N ATOM 901 CA TYR A 136 -5.570 2.154 -3.283 1.00 10.00 C ATOM 902 C TYR A 136 -5.567 1.117 -4.406 1.00 10.00 C ATOM 903 O TYR A 136 -4.682 0.265 -4.495 1.00 10.00 O ATOM 904 CB TYR A 136 -6.689 1.792 -2.306 1.00 10.00 C ATOM 905 CG TYR A 136 -6.649 2.498 -0.980 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.092 3.818 -0.836 1.00 10.00 C ATOM 907 CD2 TYR A 136 -6.145 1.811 0.128 1.00 10.00 C ATOM 908 CE1 TYR A 136 -6.821 4.510 0.357 1.00 10.00 C ATOM 909 CE2 TYR A 136 -5.903 2.478 1.324 1.00 10.00 C ATOM 910 CZ TYR A 136 -6.188 3.850 1.427 1.00 10.00 C ATOM 911 OH TYR A 136 -5.873 4.524 2.567 1.00 10.00 O ATOM 0 H TYR A 136 -6.408 4.088 -3.402 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.620 2.127 -2.749 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -7.646 2.006 -2.782 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -6.656 0.717 -2.126 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -7.637 4.300 -1.634 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -5.942 0.753 0.055 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.099 5.549 0.453 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -5.498 1.944 2.170 1.00 10.00 H new ATOM 0 HH TYR A 136 -6.670 4.603 3.131 1.00 10.00 H new ATOM 921 N GLU A 137 -6.594 1.162 -5.252 1.00 10.00 N ATOM 922 CA GLU A 137 -6.768 0.149 -6.270 1.00 10.00 C ATOM 923 C GLU A 137 -5.638 0.278 -7.297 1.00 10.00 C ATOM 924 O GLU A 137 -5.030 -0.708 -7.711 1.00 10.00 O ATOM 925 CB GLU A 137 -8.155 0.286 -6.914 1.00 10.00 C ATOM 926 CG GLU A 137 -8.466 -0.917 -7.818 1.00 10.00 C ATOM 927 CD GLU A 137 -9.796 -0.765 -8.549 1.00 10.00 C ATOM 928 OE1 GLU A 137 -10.086 0.375 -8.971 1.00 10.00 O ATOM 929 OE2 GLU A 137 -10.477 -1.801 -8.702 1.00 10.00 O ATOM 0 H GLU A 137 -7.310 1.888 -5.247 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.716 -0.847 -5.830 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.914 0.366 -6.136 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -8.199 1.205 -7.498 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -7.665 -1.037 -8.547 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -8.487 -1.825 -7.216 1.00 10.00 H new ATOM 936 N GLU A 138 -5.329 1.517 -7.689 1.00 10.00 N ATOM 937 CA GLU A 138 -4.277 1.791 -8.659 1.00 10.00 C ATOM 938 C GLU A 138 -2.915 1.322 -8.120 1.00 10.00 C ATOM 939 O GLU A 138 -2.133 0.711 -8.839 1.00 10.00 O ATOM 940 CB GLU A 138 -4.311 3.274 -9.057 1.00 10.00 C ATOM 941 CG GLU A 138 -3.999 3.483 -10.545 1.00 10.00 C ATOM 942 CD GLU A 138 -2.584 3.057 -10.897 1.00 10.00 C ATOM 943 OE1 GLU A 138 -1.675 3.570 -10.213 1.00 10.00 O ATOM 944 OE2 GLU A 138 -2.442 2.237 -11.830 1.00 10.00 O ATOM 0 H GLU A 138 -5.801 2.352 -7.342 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.448 1.221 -9.572 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.295 3.686 -8.833 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.589 3.826 -8.455 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -4.708 2.915 -11.147 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -4.135 4.534 -10.799 1.00 10.00 H new ATOM 951 N PHE A 139 -2.653 1.504 -6.822 1.00 10.00 N ATOM 952 CA PHE A 139 -1.513 0.864 -6.177 1.00 10.00 C ATOM 953 C PHE A 139 -1.541 -0.620 -6.496 1.00 10.00 C ATOM 954 O PHE A 139 -0.571 -1.200 -6.979 1.00 10.00 O ATOM 955 CB PHE A 139 -1.526 1.077 -4.653 1.00 10.00 C ATOM 956 CG PHE A 139 -0.268 0.594 -3.957 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.176 -0.737 -4.096 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.495 1.493 -3.200 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.466 -1.097 -3.695 1.00 10.00 C ATOM 960 CE2 PHE A 139 1.760 1.113 -2.727 1.00 10.00 C ATOM 961 CZ PHE A 139 2.249 -0.172 -2.994 1.00 10.00 C ATOM 0 H PHE A 139 -3.215 2.088 -6.203 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.598 1.317 -6.559 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.660 2.138 -4.445 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.386 0.558 -4.230 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.484 -1.482 -4.515 1.00 10.00 H new ATOM 0 HD2 PHE A 139 0.110 2.478 -2.981 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.854 -2.078 -3.924 1.00 10.00 H new ATOM 0 HE2 PHE A 139 2.356 1.811 -2.158 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.236 -0.451 -2.657 1.00 10.00 H new ATOM 971 N ALA A 140 -2.657 -1.252 -6.158 1.00 10.00 N ATOM 972 CA ALA A 140 -2.785 -2.686 -6.273 1.00 10.00 C ATOM 973 C ALA A 140 -2.642 -3.147 -7.739 1.00 10.00 C ATOM 974 O ALA A 140 -2.212 -4.271 -7.990 1.00 10.00 O ATOM 975 CB ALA A 140 -4.103 -3.080 -5.612 1.00 10.00 C ATOM 0 H ALA A 140 -3.489 -0.783 -5.800 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.977 -3.202 -5.755 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.235 -4.160 -5.679 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.088 -2.781 -4.564 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.928 -2.581 -6.120 1.00 10.00 H new ATOM 981 N ARG A 141 -2.937 -2.274 -8.711 1.00 10.00 N ATOM 982 CA ARG A 141 -2.528 -2.455 -10.103 1.00 10.00 C ATOM 983 C ARG A 141 -0.996 -2.428 -10.205 1.00 10.00 C ATOM 984 O ARG A 141 -0.400 -3.410 -10.654 1.00 10.00 O ATOM 985 CB ARG A 141 -3.188 -1.389 -10.997 1.00 10.00 C ATOM 986 CG ARG A 141 -2.933 -1.501 -12.509 1.00 10.00 C ATOM 987 CD ARG A 141 -3.687 -2.648 -13.196 1.00 10.00 C ATOM 988 NE ARG A 141 -2.986 -3.937 -13.091 1.00 10.00 N ATOM 989 CZ ARG A 141 -1.970 -4.344 -13.873 1.00 10.00 C ATOM 990 NH1 ARG A 141 -1.419 -3.534 -14.779 1.00 10.00 N ATOM 991 NH2 ARG A 141 -1.487 -5.581 -13.768 1.00 10.00 N ATOM 0 H ARG A 141 -3.469 -1.419 -8.549 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.866 -3.428 -10.459 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -4.265 -1.424 -10.830 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -2.846 -0.408 -10.666 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -3.216 -0.561 -12.983 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -1.864 -1.634 -12.676 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -4.678 -2.742 -12.752 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -3.831 -2.403 -14.248 1.00 10.00 H new ATOM 0 HE ARG A 141 -3.298 -4.578 -12.361 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -1.767 -2.582 -14.891 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -0.649 -3.867 -15.360 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -1.888 -6.229 -13.090 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -0.716 -5.880 -14.366 1.00 10.00 H new ATOM 1005 N MET A 142 -0.358 -1.319 -9.804 1.00 10.00 N ATOM 1006 CA MET A 142 1.087 -1.133 -9.922 1.00 10.00 C ATOM 1007 C MET A 142 1.887 -2.276 -9.295 1.00 10.00 C ATOM 1008 O MET A 142 2.838 -2.736 -9.918 1.00 10.00 O ATOM 1009 CB MET A 142 1.562 0.202 -9.335 1.00 10.00 C ATOM 1010 CG MET A 142 1.115 1.431 -10.135 1.00 10.00 C ATOM 1011 SD MET A 142 2.269 2.825 -9.988 1.00 10.00 S ATOM 1012 CE MET A 142 1.547 3.993 -11.158 1.00 10.00 C ATOM 0 H MET A 142 -0.838 -0.522 -9.386 1.00 10.00 H new ATOM 0 HA MET A 142 1.278 -1.128 -10.995 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.190 0.291 -8.314 1.00 10.00 H new ATOM 0 HB3 MET A 142 2.650 0.195 -9.278 1.00 10.00 H new ATOM 0 HG2 MET A 142 1.014 1.158 -11.185 1.00 10.00 H new ATOM 0 HG3 MET A 142 0.129 1.744 -9.791 1.00 10.00 H new ATOM 0 HE1 MET A 142 2.188 4.072 -12.036 1.00 10.00 H new ATOM 0 HE2 MET A 142 0.560 3.642 -11.460 1.00 10.00 H new ATOM 0 HE3 MET A 142 1.455 4.971 -10.686 1.00 10.00 H new ATOM 1022 N LEU A 143 1.493 -2.759 -8.109 1.00 10.00 N ATOM 1023 CA LEU A 143 2.009 -3.942 -7.440 1.00 10.00 C ATOM 1024 C LEU A 143 2.418 -5.014 -8.456 1.00 10.00 C ATOM 1025 O LEU A 143 3.531 -5.535 -8.425 1.00 10.00 O ATOM 1026 CB LEU A 143 0.911 -4.396 -6.469 1.00 10.00 C ATOM 1027 CG LEU A 143 0.776 -5.903 -6.272 1.00 10.00 C ATOM 1028 CD1 LEU A 143 2.017 -6.517 -5.628 1.00 10.00 C ATOM 1029 CD2 LEU A 143 -0.415 -6.107 -5.351 1.00 10.00 C ATOM 0 H LEU A 143 0.761 -2.301 -7.566 1.00 10.00 H new ATOM 0 HA LEU A 143 2.923 -3.736 -6.883 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.100 -3.938 -5.498 1.00 10.00 H new ATOM 0 HB3 LEU A 143 -0.044 -4.009 -6.824 1.00 10.00 H new ATOM 0 HG LEU A 143 0.650 -6.389 -7.240 1.00 10.00 H new ATOM 0 HD11 LEU A 143 1.872 -7.591 -5.509 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.884 -6.336 -6.264 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.182 -6.063 -4.651 1.00 10.00 H new ATOM 0 HD21 LEU A 143 -0.560 -7.173 -5.174 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.232 -5.603 -4.402 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -1.309 -5.692 -5.815 1.00 10.00 H new ATOM 1041 N ALA A 144 1.492 -5.353 -9.350 1.00 10.00 N ATOM 1042 CA ALA A 144 1.706 -6.409 -10.329 1.00 10.00 C ATOM 1043 C ALA A 144 2.837 -6.072 -11.308 1.00 10.00 C ATOM 1044 O ALA A 144 3.555 -6.971 -11.735 1.00 10.00 O ATOM 1045 CB ALA A 144 0.398 -6.687 -11.064 1.00 10.00 C ATOM 0 H ALA A 144 0.578 -4.905 -9.414 1.00 10.00 H new ATOM 0 HA ALA A 144 2.021 -7.309 -9.801 1.00 10.00 H new ATOM 0 HB1 ALA A 144 0.554 -7.477 -11.798 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -0.362 -7.001 -10.348 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.066 -5.781 -11.571 1.00 10.00 H new