USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 THR OG1 : rot 109:sc= 0.00269 USER MOD Set 1.2: A 24 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Single : A 2 THR OG1 : rot 25:sc= 0.117 USER MOD Single : A 3 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=-0.026) USER MOD Single : A 4 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 122:sc= 1.28 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 25:sc= 0.558 USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.0286 (180deg=-0.221) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.289 USER MOD Single : A 41 SER OG : rot -125:sc= 0.529 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -170:sc= -1.04 USER MOD Single : A 48 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.1) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -102:sc= 1.26 USER MOD Single : A 63 THR OG1 : rot -86:sc= 0.901 USER MOD Single : A 67 SER OG : rot 134:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 14.134 7.628 11.172 1.00 0.00 N ATOM 21 CA THR A 2 13.256 6.518 11.500 1.00 0.00 C ATOM 22 C THR A 2 12.651 5.918 10.235 1.00 0.00 C ATOM 23 O THR A 2 12.056 6.624 9.417 1.00 0.00 O ATOM 24 CB THR A 2 12.121 6.964 12.442 1.00 0.00 C ATOM 25 OG1 THR A 2 12.671 7.600 13.601 1.00 0.00 O ATOM 26 CG2 THR A 2 11.266 5.780 12.870 1.00 0.00 C ATOM 0 HA THR A 2 13.859 5.765 12.006 1.00 0.00 H new ATOM 0 HB THR A 2 11.490 7.668 11.900 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.551 7.972 13.383 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.473 6.125 13.534 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.824 5.313 11.990 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.887 5.053 13.393 1.00 0.00 H new ATOM 34 N HIS A 3 12.819 4.620 10.070 1.00 0.00 N ATOM 35 CA HIS A 3 12.244 3.915 8.940 1.00 0.00 C ATOM 36 C HIS A 3 11.495 2.687 9.437 1.00 0.00 C ATOM 37 O HIS A 3 11.981 1.975 10.316 1.00 0.00 O ATOM 38 CB HIS A 3 13.328 3.524 7.922 1.00 0.00 C ATOM 39 CG HIS A 3 14.251 2.435 8.381 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.218 1.162 7.862 1.00 0.00 N ATOM 41 CD2 HIS A 3 15.237 2.436 9.308 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.141 0.428 8.449 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.771 1.176 9.327 1.00 0.00 N ATOM 0 H HIS A 3 13.352 4.029 10.708 1.00 0.00 H new ATOM 0 HA HIS A 3 11.544 4.576 8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.843 3.206 6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.920 4.408 7.684 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.544 3.273 9.918 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.345 -0.612 8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.536 0.867 9.927 1.00 0.00 H new ATOM 52 N HIS A 4 10.312 2.453 8.898 1.00 0.00 N ATOM 53 CA HIS A 4 9.511 1.312 9.313 1.00 0.00 C ATOM 54 C HIS A 4 9.648 0.181 8.304 1.00 0.00 C ATOM 55 O HIS A 4 9.418 0.379 7.112 1.00 0.00 O ATOM 56 CB HIS A 4 8.039 1.707 9.457 1.00 0.00 C ATOM 57 CG HIS A 4 7.200 0.655 10.096 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.306 0.293 11.419 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.233 -0.112 9.575 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.441 -0.668 11.680 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.770 -0.933 10.574 1.00 0.00 N ATOM 0 H HIS A 4 9.885 3.033 8.176 1.00 0.00 H new ATOM 0 HA HIS A 4 9.875 0.972 10.283 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.973 2.621 10.047 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.634 1.934 8.471 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.881 -0.089 8.554 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.305 -1.155 12.635 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.032 -1.630 10.478 1.00 0.00 H new ATOM 70 N THR A 5 10.023 -0.992 8.783 1.00 0.00 N ATOM 71 CA THR A 5 10.158 -2.154 7.924 1.00 0.00 C ATOM 72 C THR A 5 9.120 -3.208 8.293 1.00 0.00 C ATOM 73 O THR A 5 8.801 -3.400 9.467 1.00 0.00 O ATOM 74 CB THR A 5 11.562 -2.774 8.027 1.00 0.00 C ATOM 75 OG1 THR A 5 12.558 -1.744 8.003 1.00 0.00 O ATOM 76 CG2 THR A 5 11.820 -3.741 6.880 1.00 0.00 C ATOM 0 H THR A 5 10.240 -1.165 9.765 1.00 0.00 H new ATOM 0 HA THR A 5 10.000 -1.820 6.899 1.00 0.00 H new ATOM 0 HB THR A 5 11.616 -3.321 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.448 -2.148 8.071 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.820 -4.164 6.979 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.082 -4.543 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.743 -3.209 5.932 1.00 0.00 H new ATOM 84 N GLU A 6 8.590 -3.870 7.283 1.00 0.00 N ATOM 85 CA GLU A 6 7.580 -4.904 7.471 1.00 0.00 C ATOM 86 C GLU A 6 7.599 -5.866 6.287 1.00 0.00 C ATOM 87 O GLU A 6 7.870 -5.457 5.158 1.00 0.00 O ATOM 88 CB GLU A 6 6.189 -4.268 7.615 1.00 0.00 C ATOM 89 CG GLU A 6 5.044 -5.270 7.743 1.00 0.00 C ATOM 90 CD GLU A 6 5.091 -6.073 9.026 1.00 0.00 C ATOM 91 OE1 GLU A 6 5.908 -7.013 9.120 1.00 0.00 O ATOM 92 OE2 GLU A 6 4.295 -5.778 9.943 1.00 0.00 O ATOM 0 H GLU A 6 8.844 -3.710 6.308 1.00 0.00 H new ATOM 0 HA GLU A 6 7.805 -5.458 8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.188 -3.621 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.003 -3.632 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.095 -4.736 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.072 -5.953 6.894 1.00 0.00 H new ATOM 99 N VAL A 7 7.334 -7.135 6.555 1.00 0.00 N ATOM 100 CA VAL A 7 7.241 -8.139 5.505 1.00 0.00 C ATOM 101 C VAL A 7 5.884 -8.823 5.563 1.00 0.00 C ATOM 102 O VAL A 7 5.521 -9.426 6.573 1.00 0.00 O ATOM 103 CB VAL A 7 8.367 -9.193 5.603 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.145 -10.326 4.610 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.720 -8.543 5.367 1.00 0.00 C ATOM 0 H VAL A 7 7.179 -7.496 7.496 1.00 0.00 H new ATOM 0 HA VAL A 7 7.357 -7.626 4.550 1.00 0.00 H new ATOM 0 HB VAL A 7 8.348 -9.615 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.952 -11.053 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.193 -10.813 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.131 -9.924 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.504 -9.297 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.739 -8.093 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.889 -7.771 6.118 1.00 0.00 H new ATOM 115 N PHE A 8 5.136 -8.717 4.481 1.00 0.00 N ATOM 116 CA PHE A 8 3.792 -9.261 4.440 1.00 0.00 C ATOM 117 C PHE A 8 3.617 -10.145 3.211 1.00 0.00 C ATOM 118 O PHE A 8 3.635 -9.657 2.083 1.00 0.00 O ATOM 119 CB PHE A 8 2.775 -8.119 4.421 1.00 0.00 C ATOM 120 CG PHE A 8 1.413 -8.505 4.919 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.227 -8.873 6.241 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.316 -8.482 4.074 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.027 -9.209 6.711 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.938 -8.821 4.540 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.109 -9.183 5.858 1.00 0.00 C ATOM 0 H PHE A 8 5.436 -8.260 3.620 1.00 0.00 H new ATOM 0 HA PHE A 8 3.627 -9.870 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.154 -7.299 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.685 -7.744 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.073 -8.897 6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.443 -8.196 3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.160 -9.492 7.745 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.786 -8.802 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.091 -9.446 6.223 1.00 0.00 H new ATOM 135 N GLU A 9 3.481 -11.448 3.442 1.00 0.00 N ATOM 136 CA GLU A 9 3.256 -12.423 2.369 1.00 0.00 C ATOM 137 C GLU A 9 4.363 -12.374 1.315 1.00 0.00 C ATOM 138 O GLU A 9 4.130 -12.656 0.143 1.00 0.00 O ATOM 139 CB GLU A 9 1.888 -12.192 1.717 1.00 0.00 C ATOM 140 CG GLU A 9 0.725 -12.327 2.688 1.00 0.00 C ATOM 141 CD GLU A 9 0.688 -13.679 3.374 1.00 0.00 C ATOM 142 OE1 GLU A 9 1.366 -13.849 4.410 1.00 0.00 O ATOM 143 OE2 GLU A 9 -0.030 -14.574 2.895 1.00 0.00 O ATOM 0 H GLU A 9 3.523 -11.861 4.374 1.00 0.00 H new ATOM 0 HA GLU A 9 3.274 -13.416 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.868 -11.196 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.757 -12.905 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.794 -11.543 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.211 -12.171 2.151 1.00 0.00 H new ATOM 150 N GLY A 10 5.571 -12.026 1.743 1.00 0.00 N ATOM 151 CA GLY A 10 6.695 -11.980 0.826 1.00 0.00 C ATOM 152 C GLY A 10 6.934 -10.588 0.277 1.00 0.00 C ATOM 153 O GLY A 10 7.938 -10.341 -0.392 1.00 0.00 O ATOM 0 H GLY A 10 5.792 -11.775 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.593 -12.325 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.515 -12.668 -0.000 1.00 0.00 H new ATOM 157 N GLY A 11 6.014 -9.682 0.565 1.00 0.00 N ATOM 158 CA GLY A 11 6.145 -8.317 0.105 1.00 0.00 C ATOM 159 C GLY A 11 6.769 -7.437 1.162 1.00 0.00 C ATOM 160 O GLY A 11 6.565 -7.659 2.355 1.00 0.00 O ATOM 0 H GLY A 11 5.174 -9.869 1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.755 -8.293 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.164 -7.926 -0.163 1.00 0.00 H new ATOM 164 N THR A 12 7.530 -6.446 0.736 1.00 0.00 N ATOM 165 CA THR A 12 8.240 -5.594 1.672 1.00 0.00 C ATOM 166 C THR A 12 7.536 -4.250 1.832 1.00 0.00 C ATOM 167 O THR A 12 7.034 -3.694 0.863 1.00 0.00 O ATOM 168 CB THR A 12 9.694 -5.367 1.213 1.00 0.00 C ATOM 169 OG1 THR A 12 10.285 -6.626 0.869 1.00 0.00 O ATOM 170 CG2 THR A 12 10.520 -4.704 2.306 1.00 0.00 C ATOM 0 H THR A 12 7.672 -6.212 -0.247 1.00 0.00 H new ATOM 0 HA THR A 12 8.249 -6.102 2.636 1.00 0.00 H new ATOM 0 HB THR A 12 9.681 -4.707 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.403 -6.677 -0.102 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.541 -4.557 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.081 -3.739 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.531 -5.341 3.191 1.00 0.00 H new ATOM 178 N ILE A 13 7.468 -3.758 3.058 1.00 0.00 N ATOM 179 CA ILE A 13 6.954 -2.420 3.312 1.00 0.00 C ATOM 180 C ILE A 13 8.100 -1.500 3.713 1.00 0.00 C ATOM 181 O ILE A 13 8.787 -1.747 4.708 1.00 0.00 O ATOM 182 CB ILE A 13 5.872 -2.414 4.418 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.702 -3.323 4.023 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.381 -0.994 4.675 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.584 -3.365 5.046 1.00 0.00 C ATOM 0 H ILE A 13 7.762 -4.264 3.894 1.00 0.00 H new ATOM 0 HA ILE A 13 6.489 -2.064 2.393 1.00 0.00 H new ATOM 0 HB ILE A 13 6.314 -2.797 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.297 -2.983 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.077 -4.335 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.620 -1.008 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.217 -0.372 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.954 -0.585 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.794 -4.029 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.973 -3.734 5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.180 -2.362 5.185 1.00 0.00 H new ATOM 197 N ASP A 14 8.298 -0.451 2.928 1.00 0.00 N ATOM 198 CA ASP A 14 9.396 0.483 3.133 1.00 0.00 C ATOM 199 C ASP A 14 8.843 1.872 3.444 1.00 0.00 C ATOM 200 O ASP A 14 8.346 2.567 2.554 1.00 0.00 O ATOM 201 CB ASP A 14 10.276 0.559 1.872 1.00 0.00 C ATOM 202 CG ASP A 14 10.744 -0.796 1.368 1.00 0.00 C ATOM 203 OD1 ASP A 14 9.979 -1.459 0.629 1.00 0.00 O ATOM 204 OD2 ASP A 14 11.890 -1.190 1.684 1.00 0.00 O ATOM 0 H ASP A 14 7.703 -0.223 2.132 1.00 0.00 H new ATOM 0 HA ASP A 14 9.999 0.131 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.717 1.058 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.148 1.178 2.085 1.00 0.00 H new ATOM 209 N ILE A 15 8.904 2.278 4.698 1.00 0.00 N ATOM 210 CA ILE A 15 8.366 3.572 5.087 1.00 0.00 C ATOM 211 C ILE A 15 9.465 4.499 5.601 1.00 0.00 C ATOM 212 O ILE A 15 10.166 4.171 6.561 1.00 0.00 O ATOM 213 CB ILE A 15 7.279 3.428 6.174 1.00 0.00 C ATOM 214 CG1 ILE A 15 6.154 2.511 5.688 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.726 4.791 6.558 1.00 0.00 C ATOM 216 CD1 ILE A 15 5.076 2.267 6.725 1.00 0.00 C ATOM 0 H ILE A 15 9.316 1.739 5.459 1.00 0.00 H new ATOM 0 HA ILE A 15 7.920 4.007 4.193 1.00 0.00 H new ATOM 0 HB ILE A 15 7.733 2.979 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.699 2.949 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.581 1.554 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.961 4.670 7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.532 5.415 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.288 5.266 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.313 1.609 6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.517 1.800 7.606 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.621 3.216 7.007 1.00 0.00 H new ATOM 228 N GLU A 16 9.602 5.659 4.966 1.00 0.00 N ATOM 229 CA GLU A 16 10.585 6.655 5.382 1.00 0.00 C ATOM 230 C GLU A 16 9.918 7.776 6.161 1.00 0.00 C ATOM 231 O GLU A 16 8.956 8.380 5.680 1.00 0.00 O ATOM 232 CB GLU A 16 11.293 7.270 4.174 1.00 0.00 C ATOM 233 CG GLU A 16 12.661 6.680 3.874 1.00 0.00 C ATOM 234 CD GLU A 16 12.610 5.227 3.463 1.00 0.00 C ATOM 235 OE1 GLU A 16 12.053 4.930 2.384 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.156 4.380 4.198 1.00 0.00 O ATOM 0 H GLU A 16 9.043 5.933 4.158 1.00 0.00 H new ATOM 0 HA GLU A 16 11.312 6.142 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.659 7.147 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.403 8.342 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.132 7.259 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.293 6.778 4.757 1.00 0.00 H new ATOM 243 N ASP A 17 10.418 8.035 7.370 1.00 0.00 N ATOM 244 CA ASP A 17 9.968 9.175 8.176 1.00 0.00 C ATOM 245 C ASP A 17 8.480 9.055 8.530 1.00 0.00 C ATOM 246 O ASP A 17 7.854 10.007 8.997 1.00 0.00 O ATOM 247 CB ASP A 17 10.259 10.484 7.414 1.00 0.00 C ATOM 248 CG ASP A 17 9.795 11.741 8.131 1.00 0.00 C ATOM 249 OD1 ASP A 17 10.423 12.125 9.144 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.812 12.365 7.667 1.00 0.00 O ATOM 0 H ASP A 17 11.139 7.468 7.816 1.00 0.00 H new ATOM 0 HA ASP A 17 10.517 9.183 9.117 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.332 10.556 7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.776 10.437 6.438 1.00 0.00 H new ATOM 255 N ASP A 18 7.931 7.856 8.330 1.00 0.00 N ATOM 256 CA ASP A 18 6.505 7.590 8.555 1.00 0.00 C ATOM 257 C ASP A 18 5.655 8.361 7.534 1.00 0.00 C ATOM 258 O ASP A 18 4.431 8.399 7.619 1.00 0.00 O ATOM 259 CB ASP A 18 6.113 7.961 9.999 1.00 0.00 C ATOM 260 CG ASP A 18 4.678 7.627 10.353 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.375 6.434 10.571 1.00 0.00 O ATOM 262 OD2 ASP A 18 3.846 8.559 10.427 1.00 0.00 O ATOM 0 H ASP A 18 8.458 7.044 8.009 1.00 0.00 H new ATOM 0 HA ASP A 18 6.316 6.525 8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.777 7.442 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.273 9.029 10.145 1.00 0.00 H new ATOM 267 N THR A 19 6.314 8.945 6.539 1.00 0.00 N ATOM 268 CA THR A 19 5.635 9.797 5.576 1.00 0.00 C ATOM 269 C THR A 19 5.772 9.259 4.149 1.00 0.00 C ATOM 270 O THR A 19 4.786 9.175 3.415 1.00 0.00 O ATOM 271 CB THR A 19 6.186 11.231 5.644 1.00 0.00 C ATOM 272 OG1 THR A 19 6.255 11.662 7.013 1.00 0.00 O ATOM 273 CG2 THR A 19 5.315 12.196 4.849 1.00 0.00 C ATOM 0 H THR A 19 7.316 8.843 6.380 1.00 0.00 H new ATOM 0 HA THR A 19 4.577 9.802 5.837 1.00 0.00 H new ATOM 0 HB THR A 19 7.184 11.230 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.178 11.909 7.232 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.731 13.201 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.286 11.885 3.805 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.304 12.193 5.256 1.00 0.00 H new ATOM 281 N SER A 20 6.991 8.894 3.759 1.00 0.00 N ATOM 282 CA SER A 20 7.235 8.375 2.418 1.00 0.00 C ATOM 283 C SER A 20 6.806 6.912 2.342 1.00 0.00 C ATOM 284 O SER A 20 7.255 6.085 3.139 1.00 0.00 O ATOM 285 CB SER A 20 8.718 8.512 2.049 1.00 0.00 C ATOM 286 OG SER A 20 8.943 8.181 0.687 1.00 0.00 O ATOM 0 H SER A 20 7.821 8.948 4.350 1.00 0.00 H new ATOM 0 HA SER A 20 6.649 8.956 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.049 9.533 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.315 7.861 2.687 1.00 0.00 H new ATOM 0 HG SER A 20 9.896 8.279 0.480 1.00 0.00 H new ATOM 292 N LEU A 21 5.936 6.598 1.390 1.00 0.00 N ATOM 293 CA LEU A 21 5.385 5.254 1.275 1.00 0.00 C ATOM 294 C LEU A 21 5.956 4.537 0.057 1.00 0.00 C ATOM 295 O LEU A 21 5.750 4.956 -1.085 1.00 0.00 O ATOM 296 CB LEU A 21 3.854 5.316 1.175 1.00 0.00 C ATOM 297 CG LEU A 21 3.086 4.086 1.690 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.505 2.813 0.970 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.266 3.941 3.195 1.00 0.00 C ATOM 0 H LEU A 21 5.597 7.255 0.687 1.00 0.00 H new ATOM 0 HA LEU A 21 5.663 4.694 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.510 6.190 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.586 5.474 0.130 1.00 0.00 H new ATOM 0 HG LEU A 21 2.029 4.243 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.939 1.969 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.307 2.916 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.570 2.640 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.717 3.067 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.325 3.820 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.885 4.832 3.694 1.00 0.00 H new ATOM 311 N THR A 22 6.671 3.458 0.313 1.00 0.00 N ATOM 312 CA THR A 22 7.138 2.578 -0.738 1.00 0.00 C ATOM 313 C THR A 22 6.902 1.125 -0.336 1.00 0.00 C ATOM 314 O THR A 22 7.098 0.759 0.818 1.00 0.00 O ATOM 315 CB THR A 22 8.634 2.810 -1.045 1.00 0.00 C ATOM 316 OG1 THR A 22 9.328 3.221 0.142 1.00 0.00 O ATOM 317 CG2 THR A 22 8.814 3.861 -2.131 1.00 0.00 C ATOM 0 H THR A 22 6.943 3.169 1.252 1.00 0.00 H new ATOM 0 HA THR A 22 6.575 2.801 -1.644 1.00 0.00 H new ATOM 0 HB THR A 22 9.052 1.868 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.849 2.892 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.877 4.004 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.318 3.530 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.376 4.803 -1.802 1.00 0.00 H new ATOM 325 N ILE A 23 6.437 0.311 -1.265 1.00 0.00 N ATOM 326 CA ILE A 23 6.242 -1.102 -0.999 1.00 0.00 C ATOM 327 C ILE A 23 7.151 -1.932 -1.895 1.00 0.00 C ATOM 328 O ILE A 23 6.956 -1.989 -3.109 1.00 0.00 O ATOM 329 CB ILE A 23 4.766 -1.529 -1.193 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.889 -0.891 -0.107 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.636 -3.046 -1.160 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.421 -1.256 -0.209 1.00 0.00 C ATOM 0 H ILE A 23 6.187 0.603 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 23 6.500 -1.280 0.045 1.00 0.00 H new ATOM 0 HB ILE A 23 4.428 -1.181 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.261 -1.194 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.988 0.193 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.591 -3.325 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.236 -3.480 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.987 -3.420 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.868 -0.767 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.031 -0.928 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.308 -2.337 -0.121 1.00 0.00 H new ATOM 344 N ASN A 24 8.173 -2.527 -1.288 1.00 0.00 N ATOM 345 CA ASN A 24 9.118 -3.388 -1.993 1.00 0.00 C ATOM 346 C ASN A 24 9.864 -2.593 -3.065 1.00 0.00 C ATOM 347 O ASN A 24 10.315 -3.136 -4.074 1.00 0.00 O ATOM 348 CB ASN A 24 8.382 -4.590 -2.604 1.00 0.00 C ATOM 349 CG ASN A 24 9.313 -5.731 -2.968 1.00 0.00 C ATOM 350 OD1 ASN A 24 10.357 -5.915 -2.348 1.00 0.00 O ATOM 351 ND2 ASN A 24 8.927 -6.520 -3.957 1.00 0.00 N ATOM 0 H ASN A 24 8.370 -2.426 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 24 9.854 -3.765 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.635 -4.949 -1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.847 -4.266 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.504 -7.316 -4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.052 -6.333 -4.447 1.00 0.00 H new ATOM 358 N GLY A 25 10.003 -1.295 -2.820 1.00 0.00 N ATOM 359 CA GLY A 25 10.675 -0.427 -3.765 1.00 0.00 C ATOM 360 C GLY A 25 9.715 0.207 -4.757 1.00 0.00 C ATOM 361 O GLY A 25 10.133 0.931 -5.658 1.00 0.00 O ATOM 0 H GLY A 25 9.660 -0.828 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.202 0.358 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.428 -0.999 -4.308 1.00 0.00 H new ATOM 365 N LYS A 26 8.429 -0.074 -4.602 1.00 0.00 N ATOM 366 CA LYS A 26 7.407 0.488 -5.475 1.00 0.00 C ATOM 367 C LYS A 26 6.675 1.623 -4.764 1.00 0.00 C ATOM 368 O LYS A 26 6.134 1.431 -3.675 1.00 0.00 O ATOM 369 CB LYS A 26 6.423 -0.614 -5.887 1.00 0.00 C ATOM 370 CG LYS A 26 5.409 -0.198 -6.941 1.00 0.00 C ATOM 371 CD LYS A 26 6.088 0.244 -8.223 1.00 0.00 C ATOM 372 CE LYS A 26 5.104 0.303 -9.379 1.00 0.00 C ATOM 373 NZ LYS A 26 4.651 -1.054 -9.801 1.00 0.00 N ATOM 0 H LYS A 26 8.067 -0.691 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 26 7.879 0.893 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.989 -1.466 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.887 -0.954 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.739 -1.032 -7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.794 0.615 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.540 1.225 -8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.896 -0.446 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.239 0.899 -9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.569 0.809 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.239 -1.002 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.463 -1.704 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.935 -1.404 -9.133 1.00 0.00 H new ATOM 387 N GLU A 27 6.681 2.804 -5.368 1.00 0.00 N ATOM 388 CA GLU A 27 6.019 3.969 -4.787 1.00 0.00 C ATOM 389 C GLU A 27 4.502 3.808 -4.827 1.00 0.00 C ATOM 390 O GLU A 27 3.924 3.507 -5.875 1.00 0.00 O ATOM 391 CB GLU A 27 6.436 5.242 -5.525 1.00 0.00 C ATOM 392 CG GLU A 27 7.912 5.577 -5.377 1.00 0.00 C ATOM 393 CD GLU A 27 8.326 6.772 -6.209 1.00 0.00 C ATOM 394 OE1 GLU A 27 8.222 7.917 -5.721 1.00 0.00 O ATOM 395 OE2 GLU A 27 8.776 6.571 -7.356 1.00 0.00 O ATOM 0 H GLU A 27 7.138 2.983 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 27 6.327 4.050 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.202 5.131 -6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.843 6.078 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.132 5.776 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.508 4.712 -5.669 1.00 0.00 H new ATOM 402 N ILE A 28 3.862 4.006 -3.684 1.00 0.00 N ATOM 403 CA ILE A 28 2.423 3.817 -3.577 1.00 0.00 C ATOM 404 C ILE A 28 1.705 5.156 -3.431 1.00 0.00 C ATOM 405 O ILE A 28 2.107 6.005 -2.638 1.00 0.00 O ATOM 406 CB ILE A 28 2.060 2.905 -2.384 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.815 1.577 -2.477 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.559 2.658 -2.340 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.511 0.786 -3.729 1.00 0.00 C ATOM 0 H ILE A 28 4.316 4.297 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 28 2.095 3.334 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 28 2.355 3.408 -1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.886 1.775 -2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.570 0.969 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.321 2.014 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.037 3.609 -2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.243 2.175 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.084 -0.141 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.446 0.555 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.783 1.374 -4.606 1.00 0.00 H new ATOM 421 N SER A 29 0.648 5.336 -4.210 1.00 0.00 N ATOM 422 CA SER A 29 -0.115 6.570 -4.187 1.00 0.00 C ATOM 423 C SER A 29 -1.328 6.453 -3.262 1.00 0.00 C ATOM 424 O SER A 29 -2.229 5.641 -3.497 1.00 0.00 O ATOM 425 CB SER A 29 -0.561 6.919 -5.602 1.00 0.00 C ATOM 426 OG SER A 29 0.523 6.817 -6.511 1.00 0.00 O ATOM 0 H SER A 29 0.300 4.638 -4.868 1.00 0.00 H new ATOM 0 HA SER A 29 0.522 7.365 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.364 6.250 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.964 7.932 -5.622 1.00 0.00 H new ATOM 0 HG SER A 29 0.215 7.043 -7.414 1.00 0.00 H new ATOM 432 N TYR A 30 -1.324 7.245 -2.198 1.00 0.00 N ATOM 433 CA TYR A 30 -2.467 7.341 -1.299 1.00 0.00 C ATOM 434 C TYR A 30 -3.004 8.761 -1.293 1.00 0.00 C ATOM 435 O TYR A 30 -2.368 9.677 -1.820 1.00 0.00 O ATOM 436 CB TYR A 30 -2.085 6.966 0.135 1.00 0.00 C ATOM 437 CG TYR A 30 -1.721 5.514 0.349 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.648 4.506 0.125 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.461 5.156 0.808 1.00 0.00 C ATOM 440 CE1 TYR A 30 -2.329 3.180 0.349 1.00 0.00 C ATOM 441 CE2 TYR A 30 -0.133 3.832 1.030 1.00 0.00 C ATOM 442 CZ TYR A 30 -1.070 2.850 0.801 1.00 0.00 C ATOM 443 OH TYR A 30 -0.746 1.531 1.025 1.00 0.00 O ATOM 0 H TYR A 30 -0.535 7.835 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.225 6.645 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.241 7.584 0.442 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.918 7.215 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.635 4.762 -0.230 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.275 5.924 0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.062 2.407 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.854 3.569 1.381 1.00 0.00 H new ATOM 0 HH TYR A 30 0.180 1.471 1.340 1.00 0.00 H new ATOM 618 N SER A 41 -6.998 4.630 -2.634 1.00 0.00 N ATOM 619 CA SER A 41 -5.662 4.273 -3.048 1.00 0.00 C ATOM 620 C SER A 41 -5.647 3.834 -4.512 1.00 0.00 C ATOM 621 O SER A 41 -6.623 3.271 -5.004 1.00 0.00 O ATOM 622 CB SER A 41 -5.175 3.150 -2.148 1.00 0.00 C ATOM 623 OG SER A 41 -5.503 3.422 -0.795 1.00 0.00 O ATOM 0 HA SER A 41 -5.002 5.136 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.627 2.207 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.096 3.035 -2.251 1.00 0.00 H new ATOM 0 HG SER A 41 -4.691 3.385 -0.248 1.00 0.00 H new ATOM 629 N ARG A 42 -4.544 4.095 -5.202 1.00 0.00 N ATOM 630 CA ARG A 42 -4.447 3.779 -6.626 1.00 0.00 C ATOM 631 C ARG A 42 -4.425 2.268 -6.849 1.00 0.00 C ATOM 632 O ARG A 42 -5.145 1.740 -7.696 1.00 0.00 O ATOM 633 CB ARG A 42 -3.187 4.418 -7.225 1.00 0.00 C ATOM 634 CG ARG A 42 -3.313 4.760 -8.702 1.00 0.00 C ATOM 635 CD ARG A 42 -3.439 3.523 -9.578 1.00 0.00 C ATOM 636 NE ARG A 42 -3.810 3.856 -10.949 1.00 0.00 N ATOM 637 CZ ARG A 42 -4.318 2.982 -11.817 1.00 0.00 C ATOM 638 NH1 ARG A 42 -4.513 1.720 -11.453 1.00 0.00 N ATOM 639 NH2 ARG A 42 -4.640 3.374 -13.042 1.00 0.00 N ATOM 0 H ARG A 42 -3.707 4.522 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.326 4.186 -7.126 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.953 5.327 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.347 3.737 -7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.185 5.397 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.441 5.335 -9.014 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.492 2.983 -9.580 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.187 2.853 -9.153 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.672 4.817 -11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.274 1.419 -10.508 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.902 1.052 -12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.499 4.345 -13.320 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.029 2.704 -13.706 1.00 0.00 H new ATOM 653 N TYR A 43 -3.588 1.582 -6.088 1.00 0.00 N ATOM 654 CA TYR A 43 -3.408 0.140 -6.246 1.00 0.00 C ATOM 655 C TYR A 43 -4.430 -0.660 -5.437 1.00 0.00 C ATOM 656 O TYR A 43 -4.251 -1.858 -5.216 1.00 0.00 O ATOM 657 CB TYR A 43 -1.992 -0.266 -5.827 1.00 0.00 C ATOM 658 CG TYR A 43 -0.905 0.265 -6.738 1.00 0.00 C ATOM 659 CD1 TYR A 43 -0.538 -0.429 -7.884 1.00 0.00 C ATOM 660 CD2 TYR A 43 -0.244 1.452 -6.449 1.00 0.00 C ATOM 661 CE1 TYR A 43 0.457 0.045 -8.718 1.00 0.00 C ATOM 662 CE2 TYR A 43 0.754 1.933 -7.280 1.00 0.00 C ATOM 663 CZ TYR A 43 1.100 1.224 -8.412 1.00 0.00 C ATOM 664 OH TYR A 43 2.094 1.696 -9.240 1.00 0.00 O ATOM 0 H TYR A 43 -3.019 1.998 -5.351 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.562 -0.090 -7.300 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.808 0.089 -4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.930 -1.354 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.039 -1.355 -8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.512 2.008 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.729 -0.507 -9.606 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.259 2.858 -7.043 1.00 0.00 H new ATOM 0 HH TYR A 43 2.445 2.539 -8.883 1.00 0.00 H new ATOM 674 N LEU A 44 -5.509 -0.014 -5.021 1.00 0.00 N ATOM 675 CA LEU A 44 -6.524 -0.674 -4.212 1.00 0.00 C ATOM 676 C LEU A 44 -7.915 -0.212 -4.653 1.00 0.00 C ATOM 677 O LEU A 44 -8.084 0.939 -5.048 1.00 0.00 O ATOM 678 CB LEU A 44 -6.296 -0.346 -2.729 1.00 0.00 C ATOM 679 CG LEU A 44 -7.020 -1.253 -1.730 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.431 -2.658 -1.752 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.942 -0.667 -0.330 1.00 0.00 C ATOM 0 H LEU A 44 -5.705 0.965 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.454 -1.753 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.226 -0.393 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.609 0.683 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.068 -1.317 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.960 -3.286 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.536 -3.081 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.375 -2.614 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.461 -1.323 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.898 -0.574 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.411 0.317 -0.321 1.00 0.00 H new ATOM 693 N PRO A 45 -8.917 -1.109 -4.632 1.00 0.00 N ATOM 694 CA PRO A 45 -10.299 -0.756 -4.979 1.00 0.00 C ATOM 695 C PRO A 45 -10.946 0.169 -3.948 1.00 0.00 C ATOM 696 O PRO A 45 -10.330 0.536 -2.946 1.00 0.00 O ATOM 697 CB PRO A 45 -11.018 -2.107 -5.015 1.00 0.00 C ATOM 698 CG PRO A 45 -10.199 -3.002 -4.154 1.00 0.00 C ATOM 699 CD PRO A 45 -8.779 -2.539 -4.309 1.00 0.00 C ATOM 0 HA PRO A 45 -10.350 -0.207 -5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.037 -2.022 -4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.085 -2.491 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.518 -2.941 -3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.306 -4.043 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.205 -2.690 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.264 -3.082 -5.102 1.00 0.00 H new ATOM 707 N TYR A 46 -12.204 0.517 -4.187 1.00 0.00 N ATOM 708 CA TYR A 46 -12.926 1.462 -3.338 1.00 0.00 C ATOM 709 C TYR A 46 -13.538 0.760 -2.129 1.00 0.00 C ATOM 710 O TYR A 46 -14.684 1.019 -1.761 1.00 0.00 O ATOM 711 CB TYR A 46 -14.023 2.161 -4.147 1.00 0.00 C ATOM 712 CG TYR A 46 -13.493 2.989 -5.297 1.00 0.00 C ATOM 713 CD1 TYR A 46 -13.090 4.305 -5.100 1.00 0.00 C ATOM 714 CD2 TYR A 46 -13.386 2.456 -6.576 1.00 0.00 C ATOM 715 CE1 TYR A 46 -12.600 5.063 -6.143 1.00 0.00 C ATOM 716 CE2 TYR A 46 -12.894 3.210 -7.624 1.00 0.00 C ATOM 717 CZ TYR A 46 -12.503 4.513 -7.400 1.00 0.00 C ATOM 718 OH TYR A 46 -12.009 5.268 -8.438 1.00 0.00 O ATOM 0 H TYR A 46 -12.751 0.156 -4.969 1.00 0.00 H new ATOM 0 HA TYR A 46 -12.215 2.204 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -14.710 1.410 -4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.599 2.805 -3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -13.162 4.741 -4.114 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.692 1.436 -6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -12.294 6.085 -5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.816 2.781 -8.612 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.005 4.733 -9.259 1.00 0.00 H new ATOM 728 N THR A 47 -12.766 -0.114 -1.510 1.00 0.00 N ATOM 729 CA THR A 47 -13.219 -0.847 -0.342 1.00 0.00 C ATOM 730 C THR A 47 -13.184 0.052 0.896 1.00 0.00 C ATOM 731 O THR A 47 -12.657 1.165 0.852 1.00 0.00 O ATOM 732 CB THR A 47 -12.332 -2.076 -0.101 1.00 0.00 C ATOM 733 OG1 THR A 47 -11.809 -2.548 -1.352 1.00 0.00 O ATOM 734 CG2 THR A 47 -13.107 -3.200 0.569 1.00 0.00 C ATOM 0 H THR A 47 -11.813 -0.335 -1.800 1.00 0.00 H new ATOM 0 HA THR A 47 -14.243 -1.174 -0.523 1.00 0.00 H new ATOM 0 HB THR A 47 -11.519 -1.776 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.376 -3.417 -1.219 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.448 -4.054 0.724 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.488 -2.856 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.941 -3.496 -0.067 1.00 0.00 H new ATOM 742 N GLN A 48 -13.741 -0.430 1.992 1.00 0.00 N ATOM 743 CA GLN A 48 -13.736 0.315 3.238 1.00 0.00 C ATOM 744 C GLN A 48 -12.666 -0.240 4.170 1.00 0.00 C ATOM 745 O GLN A 48 -12.744 -1.384 4.627 1.00 0.00 O ATOM 746 CB GLN A 48 -15.124 0.280 3.885 1.00 0.00 C ATOM 747 CG GLN A 48 -15.795 -1.085 3.832 1.00 0.00 C ATOM 748 CD GLN A 48 -17.259 -1.032 4.226 1.00 0.00 C ATOM 749 OE1 GLN A 48 -17.936 -0.019 4.029 1.00 0.00 O ATOM 750 NE2 GLN A 48 -17.761 -2.126 4.774 1.00 0.00 N ATOM 0 H GLN A 48 -14.204 -1.337 2.045 1.00 0.00 H new ATOM 0 HA GLN A 48 -13.496 1.358 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -15.037 0.591 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -15.764 1.008 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.709 -1.489 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.269 -1.770 4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -17.167 -2.942 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -18.742 -2.153 5.051 1.00 0.00 H new ATOM 759 N TYR A 49 -11.656 0.576 4.424 1.00 0.00 N ATOM 760 CA TYR A 49 -10.500 0.166 5.209 1.00 0.00 C ATOM 761 C TYR A 49 -10.336 1.047 6.440 1.00 0.00 C ATOM 762 O TYR A 49 -11.191 1.888 6.729 1.00 0.00 O ATOM 763 CB TYR A 49 -9.233 0.204 4.349 1.00 0.00 C ATOM 764 CG TYR A 49 -9.266 1.247 3.252 1.00 0.00 C ATOM 765 CD1 TYR A 49 -9.128 2.601 3.537 1.00 0.00 C ATOM 766 CD2 TYR A 49 -9.438 0.871 1.926 1.00 0.00 C ATOM 767 CE1 TYR A 49 -9.162 3.546 2.529 1.00 0.00 C ATOM 768 CE2 TYR A 49 -9.470 1.808 0.915 1.00 0.00 C ATOM 769 CZ TYR A 49 -9.333 3.143 1.221 1.00 0.00 C ATOM 770 OH TYR A 49 -9.366 4.081 0.216 1.00 0.00 O ATOM 0 H TYR A 49 -11.613 1.540 4.093 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.663 -0.857 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.375 0.395 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.082 -0.777 3.899 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.992 2.919 4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.549 -0.175 1.682 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.055 4.595 2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.602 1.496 -0.111 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.492 3.632 -0.646 1.00 0.00 H new ATOM 780 N ASP A 50 -9.238 0.859 7.159 1.00 0.00 N ATOM 781 CA ASP A 50 -9.046 1.544 8.427 1.00 0.00 C ATOM 782 C ASP A 50 -7.869 2.517 8.404 1.00 0.00 C ATOM 783 O ASP A 50 -8.058 3.733 8.480 1.00 0.00 O ATOM 784 CB ASP A 50 -8.848 0.524 9.548 1.00 0.00 C ATOM 785 CG ASP A 50 -8.509 1.183 10.867 1.00 0.00 C ATOM 786 OD1 ASP A 50 -9.336 1.973 11.370 1.00 0.00 O ATOM 787 OD2 ASP A 50 -7.405 0.929 11.395 1.00 0.00 O ATOM 0 H ASP A 50 -8.472 0.242 6.887 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.946 2.132 8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.756 -0.068 9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.050 -0.166 9.273 1.00 0.00 H new ATOM 792 N SER A 51 -6.662 1.989 8.294 1.00 0.00 N ATOM 793 CA SER A 51 -5.465 2.801 8.484 1.00 0.00 C ATOM 794 C SER A 51 -4.424 2.553 7.393 1.00 0.00 C ATOM 795 O SER A 51 -4.660 1.787 6.464 1.00 0.00 O ATOM 796 CB SER A 51 -4.880 2.520 9.869 1.00 0.00 C ATOM 797 OG SER A 51 -4.999 1.147 10.202 1.00 0.00 O ATOM 0 H SER A 51 -6.482 1.009 8.076 1.00 0.00 H new ATOM 0 HA SER A 51 -5.748 3.851 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.830 2.813 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.396 3.125 10.615 1.00 0.00 H new ATOM 0 HG SER A 51 -5.749 1.024 10.820 1.00 0.00 H new ATOM 803 N LEU A 52 -3.269 3.199 7.525 1.00 0.00 N ATOM 804 CA LEU A 52 -2.232 3.157 6.497 1.00 0.00 C ATOM 805 C LEU A 52 -1.539 1.800 6.471 1.00 0.00 C ATOM 806 O LEU A 52 -1.285 1.244 5.405 1.00 0.00 O ATOM 807 CB LEU A 52 -1.191 4.265 6.722 1.00 0.00 C ATOM 808 CG LEU A 52 -1.696 5.708 6.572 1.00 0.00 C ATOM 809 CD1 LEU A 52 -2.490 5.875 5.284 1.00 0.00 C ATOM 810 CD2 LEU A 52 -2.524 6.136 7.778 1.00 0.00 C ATOM 0 H LEU A 52 -3.026 3.762 8.340 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.719 3.319 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.777 4.149 7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.372 4.114 6.019 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.823 6.359 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.837 6.905 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.854 5.636 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.348 5.203 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.866 7.162 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.386 5.477 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.913 6.076 8.679 1.00 0.00 H new ATOM 822 N LEU A 53 -1.229 1.278 7.649 1.00 0.00 N ATOM 823 CA LEU A 53 -0.611 -0.037 7.766 1.00 0.00 C ATOM 824 C LEU A 53 -1.592 -1.096 7.263 1.00 0.00 C ATOM 825 O LEU A 53 -1.210 -2.062 6.596 1.00 0.00 O ATOM 826 CB LEU A 53 -0.212 -0.293 9.230 1.00 0.00 C ATOM 827 CG LEU A 53 0.979 -1.237 9.457 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.612 -2.674 9.128 1.00 0.00 C ATOM 829 CD2 LEU A 53 2.177 -0.793 8.631 1.00 0.00 C ATOM 0 H LEU A 53 -1.395 1.746 8.540 1.00 0.00 H new ATOM 0 HA LEU A 53 0.293 -0.085 7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.018 0.666 9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.076 -0.701 9.754 1.00 0.00 H new ATOM 0 HG LEU A 53 1.246 -1.191 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.475 -3.318 9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.212 -2.994 9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.309 -2.742 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.011 -1.473 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.914 -0.804 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.466 0.217 8.923 1.00 0.00 H new ATOM 841 N ASP A 54 -2.864 -0.875 7.571 1.00 0.00 N ATOM 842 CA ASP A 54 -3.953 -1.716 7.083 1.00 0.00 C ATOM 843 C ASP A 54 -4.026 -1.662 5.555 1.00 0.00 C ATOM 844 O ASP A 54 -4.154 -2.694 4.892 1.00 0.00 O ATOM 845 CB ASP A 54 -5.269 -1.234 7.706 1.00 0.00 C ATOM 846 CG ASP A 54 -6.501 -1.899 7.129 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.659 -3.127 7.296 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.341 -1.183 6.549 1.00 0.00 O ATOM 0 H ASP A 54 -3.171 -0.107 8.167 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.774 -2.752 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.239 -1.416 8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.352 -0.156 7.568 1.00 0.00 H new ATOM 853 N LEU A 55 -3.917 -0.451 5.010 1.00 0.00 N ATOM 854 CA LEU A 55 -3.897 -0.234 3.571 1.00 0.00 C ATOM 855 C LEU A 55 -2.760 -1.002 2.905 1.00 0.00 C ATOM 856 O LEU A 55 -2.978 -1.739 1.942 1.00 0.00 O ATOM 857 CB LEU A 55 -3.740 1.257 3.282 1.00 0.00 C ATOM 858 CG LEU A 55 -5.021 2.079 3.369 1.00 0.00 C ATOM 859 CD1 LEU A 55 -4.707 3.564 3.291 1.00 0.00 C ATOM 860 CD2 LEU A 55 -5.964 1.682 2.252 1.00 0.00 C ATOM 0 H LEU A 55 -3.840 0.406 5.558 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.839 -0.599 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.015 1.671 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.321 1.374 2.283 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.502 1.880 4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.633 4.136 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.052 3.841 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.211 3.782 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.877 2.273 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.485 1.863 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.209 0.624 2.342 1.00 0.00 H new ATOM 872 N ALA A 56 -1.552 -0.830 3.436 1.00 0.00 N ATOM 873 CA ALA A 56 -0.360 -1.450 2.867 1.00 0.00 C ATOM 874 C ALA A 56 -0.510 -2.965 2.792 1.00 0.00 C ATOM 875 O ALA A 56 -0.247 -3.574 1.756 1.00 0.00 O ATOM 876 CB ALA A 56 0.868 -1.077 3.683 1.00 0.00 C ATOM 0 H ALA A 56 -1.373 -0.263 4.265 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.235 -1.075 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.750 -1.546 3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.993 0.006 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.742 -1.423 4.709 1.00 0.00 H new ATOM 882 N ARG A 57 -0.966 -3.564 3.882 1.00 0.00 N ATOM 883 CA ARG A 57 -1.120 -5.011 3.945 1.00 0.00 C ATOM 884 C ARG A 57 -2.213 -5.491 2.995 1.00 0.00 C ATOM 885 O ARG A 57 -2.118 -6.582 2.431 1.00 0.00 O ATOM 886 CB ARG A 57 -1.422 -5.456 5.380 1.00 0.00 C ATOM 887 CG ARG A 57 -0.236 -5.300 6.319 1.00 0.00 C ATOM 888 CD ARG A 57 -0.577 -5.768 7.723 1.00 0.00 C ATOM 889 NE ARG A 57 0.622 -5.960 8.544 1.00 0.00 N ATOM 890 CZ ARG A 57 0.696 -6.821 9.562 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.358 -7.561 9.880 1.00 0.00 N ATOM 892 NH2 ARG A 57 1.824 -6.945 10.251 1.00 0.00 N ATOM 0 H ARG A 57 -1.236 -3.072 4.734 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.180 -5.463 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.260 -4.875 5.765 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.735 -6.500 5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.610 -5.873 5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.073 -4.255 6.347 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.230 -5.037 8.200 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.133 -6.704 7.668 1.00 0.00 H new ATOM 0 HE ARG A 57 1.448 -5.403 8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.223 -7.472 9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.303 -8.219 10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.637 -6.382 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.877 -7.604 11.028 1.00 0.00 H new ATOM 906 N ALA A 58 -3.232 -4.667 2.806 1.00 0.00 N ATOM 907 CA ALA A 58 -4.338 -5.014 1.924 1.00 0.00 C ATOM 908 C ALA A 58 -3.908 -4.983 0.464 1.00 0.00 C ATOM 909 O ALA A 58 -4.352 -5.806 -0.340 1.00 0.00 O ATOM 910 CB ALA A 58 -5.520 -4.083 2.154 1.00 0.00 C ATOM 0 H ALA A 58 -3.317 -3.753 3.251 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.648 -6.032 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.336 -4.359 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.854 -4.168 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.218 -3.055 1.953 1.00 0.00 H new ATOM 916 N ILE A 59 -3.047 -4.035 0.125 1.00 0.00 N ATOM 917 CA ILE A 59 -2.527 -3.933 -1.229 1.00 0.00 C ATOM 918 C ILE A 59 -1.606 -5.107 -1.542 1.00 0.00 C ATOM 919 O ILE A 59 -1.713 -5.720 -2.601 1.00 0.00 O ATOM 920 CB ILE A 59 -1.768 -2.604 -1.454 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.715 -1.414 -1.287 1.00 0.00 C ATOM 922 CG2 ILE A 59 -1.122 -2.579 -2.835 1.00 0.00 C ATOM 923 CD1 ILE A 59 -2.047 -0.076 -1.503 1.00 0.00 C ATOM 0 H ILE A 59 -2.694 -3.326 0.769 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.383 -3.955 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.979 -2.529 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.541 -1.516 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.144 -1.439 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.594 -1.636 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.417 -3.406 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.893 -2.678 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.778 0.721 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.239 0.048 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.642 -0.030 -2.514 1.00 0.00 H new ATOM 935 N ILE A 60 -0.722 -5.434 -0.607 1.00 0.00 N ATOM 936 CA ILE A 60 0.266 -6.479 -0.836 1.00 0.00 C ATOM 937 C ILE A 60 -0.373 -7.865 -0.926 1.00 0.00 C ATOM 938 O ILE A 60 -0.041 -8.652 -1.812 1.00 0.00 O ATOM 939 CB ILE A 60 1.347 -6.494 0.269 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.046 -5.137 0.347 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.365 -7.595 0.005 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.056 -5.043 1.470 1.00 0.00 C ATOM 0 H ILE A 60 -0.669 -4.993 0.311 1.00 0.00 H new ATOM 0 HA ILE A 60 0.733 -6.245 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 60 0.860 -6.693 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.548 -4.941 -0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.296 -4.357 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.118 -7.591 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.861 -8.561 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.846 -7.423 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.513 -4.054 1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.556 -5.208 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.828 -5.800 1.330 1.00 0.00 H new ATOM 954 N ARG A 61 -1.312 -8.153 -0.032 1.00 0.00 N ATOM 955 CA ARG A 61 -1.809 -9.515 0.113 1.00 0.00 C ATOM 956 C ARG A 61 -2.682 -9.934 -1.063 1.00 0.00 C ATOM 957 O ARG A 61 -2.557 -11.047 -1.571 1.00 0.00 O ATOM 958 CB ARG A 61 -2.615 -9.659 1.397 1.00 0.00 C ATOM 959 CG ARG A 61 -2.853 -11.104 1.796 1.00 0.00 C ATOM 960 CD ARG A 61 -4.095 -11.246 2.654 1.00 0.00 C ATOM 961 NE ARG A 61 -5.313 -11.000 1.885 1.00 0.00 N ATOM 962 CZ ARG A 61 -6.364 -11.815 1.891 1.00 0.00 C ATOM 963 NH1 ARG A 61 -6.352 -12.915 2.631 1.00 0.00 N ATOM 964 NH2 ARG A 61 -7.419 -11.531 1.148 1.00 0.00 N ATOM 0 H ARG A 61 -1.739 -7.472 0.595 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.934 -10.164 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.093 -9.147 2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.576 -9.160 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.956 -11.718 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.987 -11.479 2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.130 -12.248 3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.043 -10.546 3.488 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.360 -10.157 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.535 -13.139 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.160 -13.537 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.426 -10.689 0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.227 -12.154 1.150 1.00 0.00 H new ATOM 978 N ASP A 62 -3.560 -9.047 -1.498 1.00 0.00 N ATOM 979 CA ASP A 62 -4.564 -9.412 -2.488 1.00 0.00 C ATOM 980 C ASP A 62 -4.095 -9.151 -3.914 1.00 0.00 C ATOM 981 O ASP A 62 -4.898 -9.158 -4.846 1.00 0.00 O ATOM 982 CB ASP A 62 -5.873 -8.671 -2.218 1.00 0.00 C ATOM 983 CG ASP A 62 -6.653 -9.276 -1.067 1.00 0.00 C ATOM 984 OD1 ASP A 62 -6.418 -8.884 0.096 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.512 -10.149 -1.317 1.00 0.00 O ATOM 0 H ASP A 62 -3.600 -8.077 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.730 -10.485 -2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.657 -7.626 -1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.488 -8.686 -3.118 1.00 0.00 H new ATOM 990 N THR A 63 -2.798 -8.939 -4.091 1.00 0.00 N ATOM 991 CA THR A 63 -2.238 -8.777 -5.421 1.00 0.00 C ATOM 992 C THR A 63 -1.090 -9.756 -5.631 1.00 0.00 C ATOM 993 O THR A 63 -0.660 -10.427 -4.695 1.00 0.00 O ATOM 994 CB THR A 63 -1.730 -7.343 -5.669 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.745 -6.994 -4.692 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.874 -6.342 -5.632 1.00 0.00 C ATOM 0 H THR A 63 -2.119 -8.876 -3.333 1.00 0.00 H new ATOM 0 HA THR A 63 -3.040 -8.979 -6.131 1.00 0.00 H new ATOM 0 HB THR A 63 -1.280 -7.311 -6.661 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.188 -6.640 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.486 -5.339 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.601 -6.592 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.356 -6.376 -4.655 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.612 -9.849 -6.862 1.00 0.00 N ATOM 1005 CA VAL A 64 0.535 -10.690 -7.174 1.00 0.00 C ATOM 1006 C VAL A 64 1.719 -9.816 -7.589 1.00 0.00 C ATOM 1007 O VAL A 64 2.839 -10.288 -7.757 1.00 0.00 O ATOM 1008 CB VAL A 64 0.205 -11.688 -8.307 1.00 0.00 C ATOM 1009 CG1 VAL A 64 1.308 -12.723 -8.476 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -1.133 -12.369 -8.053 1.00 0.00 C ATOM 0 H VAL A 64 -1.001 -9.352 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 64 0.792 -11.259 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 64 0.135 -11.121 -9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.043 -13.409 -9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.244 -12.221 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.428 -13.282 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.345 -13.067 -8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.092 -12.911 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.921 -11.617 -8.006 1.00 0.00 H new ATOM 1020 N GLU A 65 1.461 -8.520 -7.712 1.00 0.00 N ATOM 1021 CA GLU A 65 2.446 -7.582 -8.244 1.00 0.00 C ATOM 1022 C GLU A 65 3.363 -7.029 -7.157 1.00 0.00 C ATOM 1023 O GLU A 65 4.242 -6.212 -7.436 1.00 0.00 O ATOM 1024 CB GLU A 65 1.736 -6.424 -8.953 1.00 0.00 C ATOM 1025 CG GLU A 65 0.917 -6.856 -10.159 1.00 0.00 C ATOM 1026 CD GLU A 65 1.767 -7.522 -11.217 1.00 0.00 C ATOM 1027 OE1 GLU A 65 2.709 -6.876 -11.720 1.00 0.00 O ATOM 1028 OE2 GLU A 65 1.494 -8.689 -11.560 1.00 0.00 O ATOM 0 H GLU A 65 0.574 -8.091 -7.449 1.00 0.00 H new ATOM 0 HA GLU A 65 3.066 -8.131 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.081 -5.921 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.480 -5.694 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.135 -7.544 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.420 -5.986 -10.589 1.00 0.00 H new ATOM 1035 N PHE A 66 3.166 -7.466 -5.923 1.00 0.00 N ATOM 1036 CA PHE A 66 3.947 -6.938 -4.809 1.00 0.00 C ATOM 1037 C PHE A 66 4.618 -8.046 -4.005 1.00 0.00 C ATOM 1038 O PHE A 66 5.080 -7.815 -2.889 1.00 0.00 O ATOM 1039 CB PHE A 66 3.064 -6.075 -3.903 1.00 0.00 C ATOM 1040 CG PHE A 66 2.665 -4.772 -4.539 1.00 0.00 C ATOM 1041 CD1 PHE A 66 3.534 -3.695 -4.535 1.00 0.00 C ATOM 1042 CD2 PHE A 66 1.429 -4.627 -5.150 1.00 0.00 C ATOM 1043 CE1 PHE A 66 3.183 -2.499 -5.127 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.070 -3.431 -5.741 1.00 0.00 C ATOM 1045 CZ PHE A 66 1.949 -2.364 -5.731 1.00 0.00 C ATOM 0 H PHE A 66 2.481 -8.177 -5.666 1.00 0.00 H new ATOM 0 HA PHE A 66 4.740 -6.318 -5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.166 -6.635 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.596 -5.871 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.500 -3.792 -4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.739 -5.458 -5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.874 -1.669 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.103 -3.330 -6.211 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.671 -1.429 -6.194 1.00 0.00 H new ATOM 1055 N SER A 67 4.696 -9.236 -4.580 1.00 0.00 N ATOM 1056 CA SER A 67 5.370 -10.346 -3.929 1.00 0.00 C ATOM 1057 C SER A 67 6.078 -11.205 -4.970 1.00 0.00 C ATOM 1058 O SER A 67 5.708 -11.196 -6.146 1.00 0.00 O ATOM 1059 CB SER A 67 4.373 -11.187 -3.127 1.00 0.00 C ATOM 1060 OG SER A 67 5.037 -12.191 -2.380 1.00 0.00 O ATOM 0 H SER A 67 4.301 -9.457 -5.494 1.00 0.00 H new ATOM 0 HA SER A 67 6.112 -9.948 -3.236 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.808 -10.542 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.654 -11.649 -3.804 1.00 0.00 H new ATOM 0 HG SER A 67 4.690 -12.200 -1.463 1.00 0.00 H new