USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 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 180:sc= 0.245 USER MOD Set 1.2: A 24 ASN : amide:sc= 0.0699 X(o=0.32,f=0.53) USER MOD Single : A 2 THR OG1 : rot 34:sc= 0.286 USER MOD Single : A 3 HIS : no HD1:sc=-0.00711 X(o=-0.0071,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0.955 K(o=0.96,f=-5.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00981 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 35:sc= 0.777 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 43:sc= 0.059 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 93:sc= 1.27 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 169:sc= -0.862 USER MOD Single : A 48 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.39) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -95:sc= 1.03 USER MOD Single : A 67 SER OG : rot 104:sc= 0.256 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 11.661 5.975 12.963 1.00 0.00 N ATOM 21 CA THR A 2 11.417 6.986 11.950 1.00 0.00 C ATOM 22 C THR A 2 11.052 6.309 10.635 1.00 0.00 C ATOM 23 O THR A 2 10.222 6.802 9.869 1.00 0.00 O ATOM 24 CB THR A 2 12.654 7.878 11.748 1.00 0.00 C ATOM 25 OG1 THR A 2 13.183 8.263 13.023 1.00 0.00 O ATOM 26 CG2 THR A 2 12.303 9.122 10.943 1.00 0.00 C ATOM 0 HA THR A 2 10.593 7.617 12.284 1.00 0.00 H new ATOM 0 HB THR A 2 13.402 7.310 11.195 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.053 7.534 13.665 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.195 9.736 10.814 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.921 8.827 9.966 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.542 9.695 11.472 1.00 0.00 H new ATOM 34 N HIS A 3 11.672 5.163 10.385 1.00 0.00 N ATOM 35 CA HIS A 3 11.340 4.365 9.219 1.00 0.00 C ATOM 36 C HIS A 3 10.895 2.967 9.641 1.00 0.00 C ATOM 37 O HIS A 3 11.476 2.362 10.540 1.00 0.00 O ATOM 38 CB HIS A 3 12.507 4.299 8.216 1.00 0.00 C ATOM 39 CG HIS A 3 13.767 3.665 8.730 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.863 4.395 9.135 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.121 2.364 8.854 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.833 3.572 9.485 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.409 2.333 9.325 1.00 0.00 N ATOM 0 H HIS A 3 12.405 4.769 10.974 1.00 0.00 H new ATOM 0 HA HIS A 3 10.510 4.853 8.707 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.176 3.747 7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.739 5.312 7.888 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.503 1.508 8.624 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.810 3.863 9.842 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.950 1.490 9.520 1.00 0.00 H new ATOM 52 N HIS A 4 9.857 2.474 8.990 1.00 0.00 N ATOM 53 CA HIS A 4 9.269 1.186 9.325 1.00 0.00 C ATOM 54 C HIS A 4 9.586 0.161 8.247 1.00 0.00 C ATOM 55 O HIS A 4 9.274 0.372 7.075 1.00 0.00 O ATOM 56 CB HIS A 4 7.749 1.321 9.466 1.00 0.00 C ATOM 57 CG HIS A 4 7.064 0.074 9.916 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.450 -0.657 11.016 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.008 -0.573 9.390 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.661 -1.704 11.141 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.775 -1.680 10.166 1.00 0.00 N ATOM 0 H HIS A 4 9.397 2.953 8.215 1.00 0.00 H new ATOM 0 HA HIS A 4 9.693 0.851 10.272 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.531 2.119 10.176 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.332 1.625 8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.447 -0.275 8.517 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.729 -2.456 11.913 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.039 -2.369 10.014 1.00 0.00 H new ATOM 70 N THR A 5 10.204 -0.939 8.644 1.00 0.00 N ATOM 71 CA THR A 5 10.485 -2.022 7.720 1.00 0.00 C ATOM 72 C THR A 5 9.847 -3.318 8.207 1.00 0.00 C ATOM 73 O THR A 5 9.935 -3.660 9.389 1.00 0.00 O ATOM 74 CB THR A 5 11.995 -2.253 7.566 1.00 0.00 C ATOM 75 OG1 THR A 5 12.709 -1.024 7.768 1.00 0.00 O ATOM 76 CG2 THR A 5 12.313 -2.811 6.188 1.00 0.00 C ATOM 0 H THR A 5 10.520 -1.104 9.600 1.00 0.00 H new ATOM 0 HA THR A 5 10.066 -1.735 6.755 1.00 0.00 H new ATOM 0 HB THR A 5 12.308 -2.976 8.319 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.671 -1.184 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.388 -2.968 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.795 -3.760 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.984 -2.105 5.425 1.00 0.00 H new ATOM 84 N GLU A 6 9.195 -4.020 7.297 1.00 0.00 N ATOM 85 CA GLU A 6 8.600 -5.319 7.589 1.00 0.00 C ATOM 86 C GLU A 6 8.356 -6.077 6.290 1.00 0.00 C ATOM 87 O GLU A 6 8.381 -5.487 5.211 1.00 0.00 O ATOM 88 CB GLU A 6 7.284 -5.176 8.372 1.00 0.00 C ATOM 89 CG GLU A 6 6.194 -4.415 7.631 1.00 0.00 C ATOM 90 CD GLU A 6 4.846 -4.500 8.324 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.670 -3.859 9.379 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.961 -5.222 7.825 1.00 0.00 O ATOM 0 H GLU A 6 9.061 -3.709 6.335 1.00 0.00 H new ATOM 0 HA GLU A 6 9.298 -5.877 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.912 -6.170 8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.489 -4.668 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.485 -3.369 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.104 -4.811 6.619 1.00 0.00 H new ATOM 99 N VAL A 7 8.147 -7.378 6.393 1.00 0.00 N ATOM 100 CA VAL A 7 7.782 -8.185 5.239 1.00 0.00 C ATOM 101 C VAL A 7 6.389 -8.762 5.440 1.00 0.00 C ATOM 102 O VAL A 7 6.117 -9.407 6.455 1.00 0.00 O ATOM 103 CB VAL A 7 8.788 -9.332 4.994 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.319 -10.238 3.856 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.167 -8.770 4.682 1.00 0.00 C ATOM 0 H VAL A 7 8.224 -7.900 7.266 1.00 0.00 H new ATOM 0 HA VAL A 7 7.798 -7.537 4.363 1.00 0.00 H new ATOM 0 HB VAL A 7 8.847 -9.929 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.045 -11.037 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.351 -10.670 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.226 -9.654 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.864 -9.590 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.113 -8.149 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.513 -8.168 5.522 1.00 0.00 H new ATOM 115 N PHE A 8 5.507 -8.506 4.489 1.00 0.00 N ATOM 116 CA PHE A 8 4.149 -9.009 4.564 1.00 0.00 C ATOM 117 C PHE A 8 3.922 -10.063 3.491 1.00 0.00 C ATOM 118 O PHE A 8 3.808 -9.735 2.310 1.00 0.00 O ATOM 119 CB PHE A 8 3.149 -7.862 4.383 1.00 0.00 C ATOM 120 CG PHE A 8 1.724 -8.245 4.668 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.286 -8.401 5.972 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.821 -8.437 3.633 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.024 -8.740 6.239 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.489 -8.779 3.897 1.00 0.00 C ATOM 125 CZ PHE A 8 -0.911 -8.929 5.202 1.00 0.00 C ATOM 0 H PHE A 8 5.708 -7.952 3.656 1.00 0.00 H new ATOM 0 HA PHE A 8 3.998 -9.460 5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.432 -7.039 5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.218 -7.491 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.977 -8.256 6.789 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.147 -8.318 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.354 -8.857 7.261 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.183 -8.929 3.083 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.937 -9.195 5.411 1.00 0.00 H new ATOM 135 N GLU A 9 3.862 -11.323 3.916 1.00 0.00 N ATOM 136 CA GLU A 9 3.548 -12.452 3.033 1.00 0.00 C ATOM 137 C GLU A 9 4.389 -12.457 1.750 1.00 0.00 C ATOM 138 O GLU A 9 3.935 -12.932 0.703 1.00 0.00 O ATOM 139 CB GLU A 9 2.056 -12.432 2.691 1.00 0.00 C ATOM 140 CG GLU A 9 1.159 -12.582 3.909 1.00 0.00 C ATOM 141 CD GLU A 9 1.394 -13.887 4.642 1.00 0.00 C ATOM 142 OE1 GLU A 9 2.259 -13.922 5.543 1.00 0.00 O ATOM 143 OE2 GLU A 9 0.709 -14.885 4.322 1.00 0.00 O ATOM 0 H GLU A 9 4.030 -11.594 4.885 1.00 0.00 H new ATOM 0 HA GLU A 9 3.797 -13.367 3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.818 -11.496 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.840 -13.237 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.334 -11.749 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.116 -12.526 3.598 1.00 0.00 H new ATOM 150 N GLY A 10 5.616 -11.952 1.837 1.00 0.00 N ATOM 151 CA GLY A 10 6.498 -11.947 0.680 1.00 0.00 C ATOM 152 C GLY A 10 6.780 -10.548 0.164 1.00 0.00 C ATOM 153 O GLY A 10 7.776 -10.321 -0.526 1.00 0.00 O ATOM 0 H GLY A 10 6.016 -11.547 2.684 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.439 -12.429 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.049 -12.540 -0.117 1.00 0.00 H new ATOM 157 N GLY A 11 5.909 -9.608 0.505 1.00 0.00 N ATOM 158 CA GLY A 11 6.071 -8.243 0.053 1.00 0.00 C ATOM 159 C GLY A 11 6.840 -7.409 1.050 1.00 0.00 C ATOM 160 O GLY A 11 6.595 -7.490 2.253 1.00 0.00 O ATOM 0 H GLY A 11 5.089 -9.769 1.090 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.592 -8.237 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.091 -7.797 -0.114 1.00 0.00 H new ATOM 164 N THR A 12 7.769 -6.612 0.559 1.00 0.00 N ATOM 165 CA THR A 12 8.603 -5.795 1.424 1.00 0.00 C ATOM 166 C THR A 12 7.947 -4.447 1.695 1.00 0.00 C ATOM 167 O THR A 12 7.490 -3.779 0.770 1.00 0.00 O ATOM 168 CB THR A 12 9.985 -5.552 0.789 1.00 0.00 C ATOM 169 OG1 THR A 12 10.471 -6.760 0.192 1.00 0.00 O ATOM 170 CG2 THR A 12 10.983 -5.071 1.833 1.00 0.00 C ATOM 0 H THR A 12 7.967 -6.512 -0.437 1.00 0.00 H new ATOM 0 HA THR A 12 8.724 -6.338 2.361 1.00 0.00 H new ATOM 0 HB THR A 12 9.875 -4.783 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.349 -6.596 -0.211 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.952 -4.906 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.629 -4.138 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.083 -5.824 2.615 1.00 0.00 H new ATOM 178 N ILE A 13 7.885 -4.060 2.956 1.00 0.00 N ATOM 179 CA ILE A 13 7.369 -2.753 3.319 1.00 0.00 C ATOM 180 C ILE A 13 8.516 -1.809 3.655 1.00 0.00 C ATOM 181 O ILE A 13 9.296 -2.063 4.578 1.00 0.00 O ATOM 182 CB ILE A 13 6.403 -2.849 4.521 1.00 0.00 C ATOM 183 CG1 ILE A 13 5.113 -3.562 4.114 1.00 0.00 C ATOM 184 CG2 ILE A 13 6.094 -1.471 5.089 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.308 -2.813 3.067 1.00 0.00 C ATOM 0 H ILE A 13 8.185 -4.632 3.745 1.00 0.00 H new ATOM 0 HA ILE A 13 6.817 -2.362 2.464 1.00 0.00 H new ATOM 0 HB ILE A 13 6.893 -3.432 5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.360 -4.552 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.494 -3.709 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.412 -1.570 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.018 -0.999 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.630 -0.855 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.407 -3.378 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.029 -1.833 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.909 -2.689 2.166 1.00 0.00 H new ATOM 197 N ASP A 14 8.615 -0.733 2.891 1.00 0.00 N ATOM 198 CA ASP A 14 9.599 0.308 3.147 1.00 0.00 C ATOM 199 C ASP A 14 8.883 1.628 3.389 1.00 0.00 C ATOM 200 O ASP A 14 8.409 2.269 2.447 1.00 0.00 O ATOM 201 CB ASP A 14 10.566 0.473 1.964 1.00 0.00 C ATOM 202 CG ASP A 14 11.410 -0.757 1.677 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.460 -0.931 2.332 1.00 0.00 O ATOM 204 OD2 ASP A 14 11.051 -1.531 0.762 1.00 0.00 O ATOM 0 H ASP A 14 8.020 -0.557 2.081 1.00 0.00 H new ATOM 0 HA ASP A 14 10.177 0.018 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.992 0.723 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.228 1.316 2.164 1.00 0.00 H new ATOM 209 N ILE A 15 8.780 2.025 4.646 1.00 0.00 N ATOM 210 CA ILE A 15 8.123 3.277 4.991 1.00 0.00 C ATOM 211 C ILE A 15 9.096 4.201 5.701 1.00 0.00 C ATOM 212 O ILE A 15 9.668 3.834 6.720 1.00 0.00 O ATOM 213 CB ILE A 15 6.891 3.055 5.896 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.903 2.092 5.234 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.218 4.389 6.191 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.710 1.757 6.101 1.00 0.00 C ATOM 0 H ILE A 15 9.141 1.501 5.443 1.00 0.00 H new ATOM 0 HA ILE A 15 7.786 3.729 4.058 1.00 0.00 H new ATOM 0 HB ILE A 15 7.221 2.611 6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.551 2.531 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.424 1.170 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.350 4.225 6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.923 5.048 6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.899 4.850 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.053 1.070 5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.051 1.289 7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.164 2.670 6.338 1.00 0.00 H new ATOM 228 N GLU A 16 9.295 5.392 5.165 1.00 0.00 N ATOM 229 CA GLU A 16 10.187 6.348 5.794 1.00 0.00 C ATOM 230 C GLU A 16 9.485 7.645 6.133 1.00 0.00 C ATOM 231 O GLU A 16 8.995 8.354 5.254 1.00 0.00 O ATOM 232 CB GLU A 16 11.396 6.646 4.924 1.00 0.00 C ATOM 233 CG GLU A 16 12.471 5.575 4.998 1.00 0.00 C ATOM 234 CD GLU A 16 13.779 6.013 4.379 1.00 0.00 C ATOM 235 OE1 GLU A 16 14.539 6.742 5.053 1.00 0.00 O ATOM 236 OE2 GLU A 16 14.062 5.620 3.231 1.00 0.00 O ATOM 0 H GLU A 16 8.856 5.718 4.304 1.00 0.00 H new ATOM 0 HA GLU A 16 10.522 5.881 6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.072 6.754 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.824 7.602 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.640 5.308 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.118 4.677 4.492 1.00 0.00 H new ATOM 243 N ASP A 17 9.444 7.925 7.427 1.00 0.00 N ATOM 244 CA ASP A 17 8.951 9.186 7.969 1.00 0.00 C ATOM 245 C ASP A 17 7.595 9.589 7.383 1.00 0.00 C ATOM 246 O ASP A 17 7.362 10.759 7.069 1.00 0.00 O ATOM 247 CB ASP A 17 9.988 10.293 7.773 1.00 0.00 C ATOM 248 CG ASP A 17 9.697 11.505 8.638 1.00 0.00 C ATOM 249 OD1 ASP A 17 9.379 11.326 9.835 1.00 0.00 O ATOM 250 OD2 ASP A 17 9.787 12.642 8.127 1.00 0.00 O ATOM 0 H ASP A 17 9.758 7.271 8.144 1.00 0.00 H new ATOM 0 HA ASP A 17 8.793 9.038 9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.979 9.907 8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.006 10.592 6.725 1.00 0.00 H new ATOM 255 N ASP A 18 6.713 8.594 7.228 1.00 0.00 N ATOM 256 CA ASP A 18 5.312 8.809 6.825 1.00 0.00 C ATOM 257 C ASP A 18 5.167 9.165 5.340 1.00 0.00 C ATOM 258 O ASP A 18 4.204 8.751 4.692 1.00 0.00 O ATOM 259 CB ASP A 18 4.666 9.890 7.703 1.00 0.00 C ATOM 260 CG ASP A 18 3.210 10.146 7.362 1.00 0.00 C ATOM 261 OD1 ASP A 18 2.340 9.385 7.835 1.00 0.00 O ATOM 262 OD2 ASP A 18 2.926 11.135 6.653 1.00 0.00 O ATOM 0 H ASP A 18 6.949 7.613 7.378 1.00 0.00 H new ATOM 0 HA ASP A 18 4.791 7.863 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.740 9.592 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.226 10.819 7.596 1.00 0.00 H new ATOM 267 N THR A 19 6.118 9.916 4.802 1.00 0.00 N ATOM 268 CA THR A 19 6.053 10.357 3.415 1.00 0.00 C ATOM 269 C THR A 19 6.486 9.259 2.445 1.00 0.00 C ATOM 270 O THR A 19 5.789 8.971 1.473 1.00 0.00 O ATOM 271 CB THR A 19 6.923 11.606 3.190 1.00 0.00 C ATOM 272 OG1 THR A 19 8.224 11.414 3.765 1.00 0.00 O ATOM 273 CG2 THR A 19 6.264 12.830 3.800 1.00 0.00 C ATOM 0 H THR A 19 6.946 10.233 5.306 1.00 0.00 H new ATOM 0 HA THR A 19 5.010 10.602 3.215 1.00 0.00 H new ATOM 0 HB THR A 19 7.028 11.764 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.770 12.214 3.614 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.893 13.704 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.291 12.989 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.134 12.678 4.871 1.00 0.00 H new ATOM 281 N SER A 20 7.634 8.646 2.721 1.00 0.00 N ATOM 282 CA SER A 20 8.182 7.618 1.845 1.00 0.00 C ATOM 283 C SER A 20 7.389 6.324 1.981 1.00 0.00 C ATOM 284 O SER A 20 7.624 5.540 2.902 1.00 0.00 O ATOM 285 CB SER A 20 9.662 7.349 2.173 1.00 0.00 C ATOM 286 OG SER A 20 10.268 6.502 1.203 1.00 0.00 O ATOM 0 H SER A 20 8.202 8.844 3.545 1.00 0.00 H new ATOM 0 HA SER A 20 8.108 7.980 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.203 8.294 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.739 6.889 3.158 1.00 0.00 H new ATOM 0 HG SER A 20 11.207 6.353 1.440 1.00 0.00 H new ATOM 292 N LEU A 21 6.437 6.111 1.088 1.00 0.00 N ATOM 293 CA LEU A 21 5.725 4.846 1.048 1.00 0.00 C ATOM 294 C LEU A 21 6.213 4.047 -0.152 1.00 0.00 C ATOM 295 O LEU A 21 5.984 4.431 -1.299 1.00 0.00 O ATOM 296 CB LEU A 21 4.212 5.085 0.941 1.00 0.00 C ATOM 297 CG LEU A 21 3.303 3.970 1.500 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.586 2.626 0.846 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.451 3.871 3.010 1.00 0.00 C ATOM 0 H LEU A 21 6.142 6.791 0.387 1.00 0.00 H new ATOM 0 HA LEU A 21 5.918 4.291 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.974 6.013 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.963 5.235 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 21 2.273 4.237 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.925 1.869 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.414 2.700 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.623 2.344 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.803 3.080 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.487 3.642 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.169 4.820 3.466 1.00 0.00 H new ATOM 311 N THR A 22 6.882 2.941 0.119 1.00 0.00 N ATOM 312 CA THR A 22 7.372 2.069 -0.930 1.00 0.00 C ATOM 313 C THR A 22 7.124 0.604 -0.586 1.00 0.00 C ATOM 314 O THR A 22 7.520 0.126 0.476 1.00 0.00 O ATOM 315 CB THR A 22 8.877 2.303 -1.186 1.00 0.00 C ATOM 316 OG1 THR A 22 9.486 2.889 -0.026 1.00 0.00 O ATOM 317 CG2 THR A 22 9.094 3.213 -2.387 1.00 0.00 C ATOM 0 H THR A 22 7.099 2.625 1.064 1.00 0.00 H new ATOM 0 HA THR A 22 6.822 2.310 -1.840 1.00 0.00 H new ATOM 0 HB THR A 22 9.338 1.337 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.063 2.530 0.782 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.163 3.360 -2.544 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.657 2.755 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.618 4.176 -2.204 1.00 0.00 H new ATOM 325 N ILE A 23 6.444 -0.101 -1.475 1.00 0.00 N ATOM 326 CA ILE A 23 6.222 -1.521 -1.298 1.00 0.00 C ATOM 327 C ILE A 23 7.103 -2.303 -2.261 1.00 0.00 C ATOM 328 O ILE A 23 6.881 -2.288 -3.475 1.00 0.00 O ATOM 329 CB ILE A 23 4.739 -1.900 -1.511 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.856 -1.181 -0.486 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.552 -3.408 -1.416 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.372 -1.454 -0.653 1.00 0.00 C ATOM 0 H ILE A 23 6.037 0.289 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 23 6.483 -1.776 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 23 4.440 -1.583 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.160 -1.483 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.029 -0.107 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.501 -3.655 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.155 -3.898 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.866 -3.752 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.814 -0.910 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.051 -1.126 -1.642 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.184 -2.522 -0.547 1.00 0.00 H new ATOM 344 N ASN A 24 8.130 -2.942 -1.706 1.00 0.00 N ATOM 345 CA ASN A 24 9.075 -3.762 -2.473 1.00 0.00 C ATOM 346 C ASN A 24 9.752 -2.937 -3.575 1.00 0.00 C ATOM 347 O ASN A 24 10.300 -3.475 -4.533 1.00 0.00 O ATOM 348 CB ASN A 24 8.350 -4.989 -3.051 1.00 0.00 C ATOM 349 CG ASN A 24 9.289 -6.055 -3.597 1.00 0.00 C ATOM 350 OD1 ASN A 24 9.548 -6.121 -4.801 1.00 0.00 O ATOM 351 ND2 ASN A 24 9.807 -6.897 -2.712 1.00 0.00 N ATOM 0 H ASN A 24 8.334 -2.908 -0.707 1.00 0.00 H new ATOM 0 HA ASN A 24 9.863 -4.111 -1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.726 -5.431 -2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.682 -4.663 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.444 -7.632 -3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.568 -6.809 -1.724 1.00 0.00 H new ATOM 358 N GLY A 25 9.735 -1.621 -3.413 1.00 0.00 N ATOM 359 CA GLY A 25 10.371 -0.746 -4.378 1.00 0.00 C ATOM 360 C GLY A 25 9.384 0.167 -5.083 1.00 0.00 C ATOM 361 O GLY A 25 9.773 1.186 -5.654 1.00 0.00 O ATOM 0 H GLY A 25 9.291 -1.143 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.123 -0.140 -3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.894 -1.350 -5.119 1.00 0.00 H new ATOM 365 N LYS A 26 8.107 -0.194 -5.062 1.00 0.00 N ATOM 366 CA LYS A 26 7.078 0.613 -5.713 1.00 0.00 C ATOM 367 C LYS A 26 6.546 1.672 -4.759 1.00 0.00 C ATOM 368 O LYS A 26 6.059 1.346 -3.678 1.00 0.00 O ATOM 369 CB LYS A 26 5.914 -0.263 -6.193 1.00 0.00 C ATOM 370 CG LYS A 26 6.084 -0.847 -7.591 1.00 0.00 C ATOM 371 CD LYS A 26 7.266 -1.797 -7.688 1.00 0.00 C ATOM 372 CE LYS A 26 7.309 -2.478 -9.046 1.00 0.00 C ATOM 373 NZ LYS A 26 8.539 -3.291 -9.225 1.00 0.00 N ATOM 0 H LYS A 26 7.758 -1.036 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 26 7.536 1.098 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.780 -1.082 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.999 0.330 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.174 -1.376 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.216 -0.035 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.193 -1.248 -7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.198 -2.549 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.433 -3.117 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.256 -1.724 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.527 -3.737 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.375 -2.678 -9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.578 -4.028 -8.492 1.00 0.00 H new ATOM 387 N GLU A 27 6.635 2.932 -5.155 1.00 0.00 N ATOM 388 CA GLU A 27 6.074 4.010 -4.355 1.00 0.00 C ATOM 389 C GLU A 27 4.572 4.103 -4.600 1.00 0.00 C ATOM 390 O GLU A 27 4.116 4.290 -5.729 1.00 0.00 O ATOM 391 CB GLU A 27 6.772 5.347 -4.651 1.00 0.00 C ATOM 392 CG GLU A 27 6.723 5.776 -6.108 1.00 0.00 C ATOM 393 CD GLU A 27 7.452 7.082 -6.349 1.00 0.00 C ATOM 394 OE1 GLU A 27 6.888 8.154 -6.040 1.00 0.00 O ATOM 395 OE2 GLU A 27 8.596 7.046 -6.852 1.00 0.00 O ATOM 0 H GLU A 27 7.087 3.232 -6.019 1.00 0.00 H new ATOM 0 HA GLU A 27 6.244 3.788 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.313 6.125 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.815 5.274 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.165 4.996 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.683 5.880 -6.419 1.00 0.00 H new ATOM 402 N ILE A 28 3.801 3.941 -3.537 1.00 0.00 N ATOM 403 CA ILE A 28 2.355 3.901 -3.657 1.00 0.00 C ATOM 404 C ILE A 28 1.764 5.295 -3.514 1.00 0.00 C ATOM 405 O ILE A 28 1.891 5.931 -2.467 1.00 0.00 O ATOM 406 CB ILE A 28 1.717 2.960 -2.614 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.394 1.586 -2.654 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.220 2.823 -2.874 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.282 0.876 -3.991 1.00 0.00 C ATOM 0 H ILE A 28 4.152 3.836 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 28 2.129 3.512 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 28 1.860 3.388 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.449 1.706 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.955 0.954 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.219 2.157 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.252 3.803 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.060 2.411 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.787 -0.088 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.231 0.721 -4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.748 1.484 -4.766 1.00 0.00 H new ATOM 421 N SER A 29 1.129 5.763 -4.576 1.00 0.00 N ATOM 422 CA SER A 29 0.523 7.081 -4.587 1.00 0.00 C ATOM 423 C SER A 29 -0.772 7.103 -3.772 1.00 0.00 C ATOM 424 O SER A 29 -1.766 6.458 -4.132 1.00 0.00 O ATOM 425 CB SER A 29 0.264 7.518 -6.031 1.00 0.00 C ATOM 426 OG SER A 29 -0.298 6.458 -6.790 1.00 0.00 O ATOM 0 H SER A 29 1.020 5.244 -5.447 1.00 0.00 H new ATOM 0 HA SER A 29 1.213 7.784 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.411 8.374 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.198 7.843 -6.489 1.00 0.00 H new ATOM 0 HG SER A 29 -0.985 6.004 -6.259 1.00 0.00 H new ATOM 432 N TYR A 30 -0.736 7.816 -2.653 1.00 0.00 N ATOM 433 CA TYR A 30 -1.919 8.029 -1.837 1.00 0.00 C ATOM 434 C TYR A 30 -2.315 9.490 -1.879 1.00 0.00 C ATOM 435 O TYR A 30 -1.546 10.340 -2.324 1.00 0.00 O ATOM 436 CB TYR A 30 -1.679 7.649 -0.370 1.00 0.00 C ATOM 437 CG TYR A 30 -1.346 6.200 -0.127 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.305 5.209 -0.283 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.075 5.826 0.284 1.00 0.00 C ATOM 440 CE1 TYR A 30 -2.007 3.885 -0.034 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.231 4.504 0.530 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.736 3.538 0.369 1.00 0.00 C ATOM 443 OH TYR A 30 -0.430 2.219 0.618 1.00 0.00 O ATOM 0 H TYR A 30 0.108 8.259 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.707 7.395 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.866 8.262 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.571 7.901 0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.300 5.478 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.686 6.581 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.765 3.125 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.226 4.228 0.848 1.00 0.00 H new ATOM 0 HH TYR A 30 0.508 2.147 0.892 1.00 0.00 H new ATOM 618 N SER A 41 -5.934 5.874 -2.868 1.00 0.00 N ATOM 619 CA SER A 41 -4.894 4.974 -3.323 1.00 0.00 C ATOM 620 C SER A 41 -5.152 4.527 -4.764 1.00 0.00 C ATOM 621 O SER A 41 -6.119 3.818 -5.043 1.00 0.00 O ATOM 622 CB SER A 41 -4.835 3.774 -2.380 1.00 0.00 C ATOM 623 OG SER A 41 -6.131 3.456 -1.892 1.00 0.00 O ATOM 0 HA SER A 41 -3.934 5.491 -3.312 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.417 2.914 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.170 3.994 -1.545 1.00 0.00 H new ATOM 0 HG SER A 41 -6.543 2.783 -2.473 1.00 0.00 H new ATOM 629 N ARG A 42 -4.289 4.955 -5.678 1.00 0.00 N ATOM 630 CA ARG A 42 -4.457 4.651 -7.096 1.00 0.00 C ATOM 631 C ARG A 42 -4.244 3.162 -7.373 1.00 0.00 C ATOM 632 O ARG A 42 -4.928 2.574 -8.210 1.00 0.00 O ATOM 633 CB ARG A 42 -3.477 5.493 -7.918 1.00 0.00 C ATOM 634 CG ARG A 42 -3.617 5.334 -9.427 1.00 0.00 C ATOM 635 CD ARG A 42 -4.993 5.767 -9.916 1.00 0.00 C ATOM 636 NE ARG A 42 -5.061 5.837 -11.377 1.00 0.00 N ATOM 637 CZ ARG A 42 -6.021 5.278 -12.116 1.00 0.00 C ATOM 638 NH1 ARG A 42 -7.025 4.633 -11.534 1.00 0.00 N ATOM 639 NH2 ARG A 42 -5.977 5.376 -13.443 1.00 0.00 N ATOM 0 H ARG A 42 -3.464 5.515 -5.463 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.479 4.897 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.617 6.543 -7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.460 5.227 -7.630 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.851 5.926 -9.928 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.445 4.293 -9.700 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.744 5.066 -9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.237 6.742 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.324 6.348 -11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.065 4.563 -10.517 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.756 4.207 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.211 5.877 -13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.710 4.950 -14.010 1.00 0.00 H new ATOM 653 N TYR A 43 -3.305 2.558 -6.652 1.00 0.00 N ATOM 654 CA TYR A 43 -2.964 1.152 -6.857 1.00 0.00 C ATOM 655 C TYR A 43 -4.053 0.218 -6.333 1.00 0.00 C ATOM 656 O TYR A 43 -4.186 -0.909 -6.807 1.00 0.00 O ATOM 657 CB TYR A 43 -1.627 0.824 -6.185 1.00 0.00 C ATOM 658 CG TYR A 43 -0.418 1.328 -6.940 1.00 0.00 C ATOM 659 CD1 TYR A 43 0.048 2.626 -6.771 1.00 0.00 C ATOM 660 CD2 TYR A 43 0.262 0.497 -7.825 1.00 0.00 C ATOM 661 CE1 TYR A 43 1.154 3.082 -7.460 1.00 0.00 C ATOM 662 CE2 TYR A 43 1.369 0.946 -8.517 1.00 0.00 C ATOM 663 CZ TYR A 43 1.811 2.238 -8.334 1.00 0.00 C ATOM 664 OH TYR A 43 2.914 2.686 -9.022 1.00 0.00 O ATOM 0 H TYR A 43 -2.765 3.019 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.878 0.993 -7.932 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.621 1.253 -5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.546 -0.257 -6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.464 3.289 -6.089 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.082 -0.516 -7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.504 4.094 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.886 0.287 -9.199 1.00 0.00 H new ATOM 0 HH TYR A 43 3.257 1.967 -9.593 1.00 0.00 H new ATOM 674 N LEU A 44 -4.825 0.686 -5.363 1.00 0.00 N ATOM 675 CA LEU A 44 -5.887 -0.121 -4.769 1.00 0.00 C ATOM 676 C LEU A 44 -6.988 0.786 -4.228 1.00 0.00 C ATOM 677 O LEU A 44 -6.964 1.188 -3.063 1.00 0.00 O ATOM 678 CB LEU A 44 -5.335 -1.025 -3.661 1.00 0.00 C ATOM 679 CG LEU A 44 -6.329 -2.040 -3.093 1.00 0.00 C ATOM 680 CD1 LEU A 44 -6.831 -2.968 -4.188 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.691 -2.841 -1.971 1.00 0.00 C ATOM 0 H LEU A 44 -4.737 1.622 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.309 -0.764 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.472 -1.565 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.976 -0.396 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.181 -1.494 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.537 -3.682 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.328 -2.383 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.989 -3.505 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.413 -3.558 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.821 -3.375 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.380 -2.166 -1.173 1.00 0.00 H new ATOM 693 N PRO A 45 -7.947 1.145 -5.087 1.00 0.00 N ATOM 694 CA PRO A 45 -8.969 2.141 -4.774 1.00 0.00 C ATOM 695 C PRO A 45 -10.067 1.621 -3.851 1.00 0.00 C ATOM 696 O PRO A 45 -10.767 0.660 -4.178 1.00 0.00 O ATOM 697 CB PRO A 45 -9.564 2.506 -6.145 1.00 0.00 C ATOM 698 CG PRO A 45 -8.760 1.757 -7.162 1.00 0.00 C ATOM 699 CD PRO A 45 -8.123 0.607 -6.439 1.00 0.00 C ATOM 0 HA PRO A 45 -8.533 2.983 -4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.617 2.228 -6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.509 3.581 -6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.395 1.401 -7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.003 2.401 -7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.758 -0.279 -6.444 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.173 0.320 -6.889 1.00 0.00 H new ATOM 707 N TYR A 46 -10.185 2.270 -2.691 1.00 0.00 N ATOM 708 CA TYR A 46 -11.300 2.071 -1.763 1.00 0.00 C ATOM 709 C TYR A 46 -11.437 0.615 -1.317 1.00 0.00 C ATOM 710 O TYR A 46 -12.429 -0.051 -1.614 1.00 0.00 O ATOM 711 CB TYR A 46 -12.610 2.564 -2.390 1.00 0.00 C ATOM 712 CG TYR A 46 -12.567 4.015 -2.815 1.00 0.00 C ATOM 713 CD1 TYR A 46 -12.706 5.040 -1.888 1.00 0.00 C ATOM 714 CD2 TYR A 46 -12.367 4.359 -4.147 1.00 0.00 C ATOM 715 CE1 TYR A 46 -12.656 6.366 -2.277 1.00 0.00 C ATOM 716 CE2 TYR A 46 -12.313 5.680 -4.543 1.00 0.00 C ATOM 717 CZ TYR A 46 -12.456 6.680 -3.606 1.00 0.00 C ATOM 718 OH TYR A 46 -12.391 8.000 -3.995 1.00 0.00 O ATOM 0 H TYR A 46 -9.503 2.955 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.084 2.659 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.843 1.946 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -13.420 2.427 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.856 4.797 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.252 3.579 -4.885 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -12.773 7.151 -1.545 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.159 5.929 -5.583 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.245 8.049 -4.963 1.00 0.00 H new ATOM 728 N THR A 47 -10.430 0.132 -0.609 1.00 0.00 N ATOM 729 CA THR A 47 -10.459 -1.207 -0.051 1.00 0.00 C ATOM 730 C THR A 47 -11.206 -1.202 1.284 1.00 0.00 C ATOM 731 O THR A 47 -11.572 -0.142 1.794 1.00 0.00 O ATOM 732 CB THR A 47 -9.031 -1.717 0.170 1.00 0.00 C ATOM 733 OG1 THR A 47 -8.134 -1.022 -0.703 1.00 0.00 O ATOM 734 CG2 THR A 47 -8.941 -3.214 -0.088 1.00 0.00 C ATOM 0 H THR A 47 -9.577 0.653 -0.407 1.00 0.00 H new ATOM 0 HA THR A 47 -10.973 -1.865 -0.752 1.00 0.00 H new ATOM 0 HB THR A 47 -8.754 -1.531 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.209 -1.215 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.917 -3.551 0.076 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.610 -3.741 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.232 -3.424 -1.117 1.00 0.00 H new ATOM 742 N GLN A 48 -11.444 -2.378 1.846 1.00 0.00 N ATOM 743 CA GLN A 48 -12.065 -2.470 3.157 1.00 0.00 C ATOM 744 C GLN A 48 -10.982 -2.478 4.231 1.00 0.00 C ATOM 745 O GLN A 48 -10.506 -3.534 4.643 1.00 0.00 O ATOM 746 CB GLN A 48 -12.953 -3.721 3.271 1.00 0.00 C ATOM 747 CG GLN A 48 -14.289 -3.626 2.537 1.00 0.00 C ATOM 748 CD GLN A 48 -14.149 -3.467 1.029 1.00 0.00 C ATOM 749 OE1 GLN A 48 -14.037 -4.452 0.300 1.00 0.00 O ATOM 750 NE2 GLN A 48 -14.183 -2.234 0.548 1.00 0.00 N ATOM 0 H GLN A 48 -11.218 -3.276 1.417 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.709 -1.602 3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.401 -4.578 2.883 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.147 -3.917 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -14.873 -4.522 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.851 -2.780 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.277 -1.441 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.115 -2.077 -0.458 1.00 0.00 H new ATOM 759 N TYR A 49 -10.570 -1.291 4.649 1.00 0.00 N ATOM 760 CA TYR A 49 -9.495 -1.153 5.623 1.00 0.00 C ATOM 761 C TYR A 49 -9.907 -0.186 6.721 1.00 0.00 C ATOM 762 O TYR A 49 -10.942 0.474 6.618 1.00 0.00 O ATOM 763 CB TYR A 49 -8.208 -0.659 4.947 1.00 0.00 C ATOM 764 CG TYR A 49 -8.347 0.688 4.266 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.807 0.776 2.962 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.025 1.867 4.930 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.946 1.998 2.333 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.160 3.094 4.309 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.623 3.156 3.012 1.00 0.00 C ATOM 770 OH TYR A 49 -8.765 4.378 2.393 1.00 0.00 O ATOM 0 H TYR A 49 -10.964 -0.406 4.329 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.302 -2.132 6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.418 -0.596 5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.891 -1.396 4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.062 -0.127 2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.664 1.823 5.947 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.305 2.047 1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.904 4.000 4.837 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.496 5.090 3.010 1.00 0.00 H new ATOM 780 N ASP A 50 -9.099 -0.104 7.768 1.00 0.00 N ATOM 781 CA ASP A 50 -9.368 0.823 8.862 1.00 0.00 C ATOM 782 C ASP A 50 -8.275 1.878 8.959 1.00 0.00 C ATOM 783 O ASP A 50 -8.558 3.067 9.107 1.00 0.00 O ATOM 784 CB ASP A 50 -9.490 0.078 10.192 1.00 0.00 C ATOM 785 CG ASP A 50 -9.724 1.015 11.362 1.00 0.00 C ATOM 786 OD1 ASP A 50 -10.876 1.450 11.560 1.00 0.00 O ATOM 787 OD2 ASP A 50 -8.758 1.324 12.089 1.00 0.00 O ATOM 0 H ASP A 50 -8.255 -0.665 7.885 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.316 1.318 8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.312 -0.635 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.581 -0.497 10.367 1.00 0.00 H new ATOM 792 N SER A 51 -7.028 1.440 8.875 1.00 0.00 N ATOM 793 CA SER A 51 -5.895 2.342 8.979 1.00 0.00 C ATOM 794 C SER A 51 -5.071 2.328 7.693 1.00 0.00 C ATOM 795 O SER A 51 -5.265 1.466 6.832 1.00 0.00 O ATOM 796 CB SER A 51 -5.031 1.947 10.181 1.00 0.00 C ATOM 797 OG SER A 51 -4.754 0.552 10.178 1.00 0.00 O ATOM 0 H SER A 51 -6.776 0.462 8.735 1.00 0.00 H new ATOM 0 HA SER A 51 -6.264 3.357 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.096 2.506 10.160 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.543 2.217 11.105 1.00 0.00 H new ATOM 0 HG SER A 51 -4.200 0.327 10.954 1.00 0.00 H new ATOM 803 N LEU A 52 -4.153 3.281 7.564 1.00 0.00 N ATOM 804 CA LEU A 52 -3.300 3.368 6.389 1.00 0.00 C ATOM 805 C LEU A 52 -2.303 2.215 6.380 1.00 0.00 C ATOM 806 O LEU A 52 -1.933 1.703 5.325 1.00 0.00 O ATOM 807 CB LEU A 52 -2.565 4.714 6.364 1.00 0.00 C ATOM 808 CG LEU A 52 -1.710 4.969 5.119 1.00 0.00 C ATOM 809 CD1 LEU A 52 -2.579 5.006 3.868 1.00 0.00 C ATOM 810 CD2 LEU A 52 -0.935 6.269 5.267 1.00 0.00 C ATOM 0 H LEU A 52 -3.982 4.005 8.262 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.921 3.298 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.301 5.513 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.924 4.776 7.244 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.998 4.150 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.952 5.188 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.092 4.051 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.315 5.805 3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.332 6.437 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.633 7.096 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.284 6.207 6.139 1.00 0.00 H new ATOM 822 N LEU A 53 -1.886 1.801 7.572 1.00 0.00 N ATOM 823 CA LEU A 53 -0.971 0.678 7.719 1.00 0.00 C ATOM 824 C LEU A 53 -1.671 -0.605 7.272 1.00 0.00 C ATOM 825 O LEU A 53 -1.091 -1.435 6.568 1.00 0.00 O ATOM 826 CB LEU A 53 -0.515 0.570 9.183 1.00 0.00 C ATOM 827 CG LEU A 53 0.858 -0.079 9.428 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.852 -1.557 9.078 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.939 0.648 8.644 1.00 0.00 C ATOM 0 H LEU A 53 -2.170 2.230 8.453 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.090 0.832 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.500 1.573 9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.264 0.001 9.733 1.00 0.00 H new ATOM 0 HG LEU A 53 1.076 0.007 10.492 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.839 -1.979 9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.115 -2.073 9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.598 -1.681 8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.903 0.175 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.710 0.601 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.979 1.690 8.960 1.00 0.00 H new ATOM 841 N ASP A 54 -2.930 -0.740 7.670 1.00 0.00 N ATOM 842 CA ASP A 54 -3.747 -1.886 7.285 1.00 0.00 C ATOM 843 C ASP A 54 -3.965 -1.897 5.775 1.00 0.00 C ATOM 844 O ASP A 54 -3.954 -2.950 5.143 1.00 0.00 O ATOM 845 CB ASP A 54 -5.090 -1.842 8.018 1.00 0.00 C ATOM 846 CG ASP A 54 -5.977 -3.033 7.716 1.00 0.00 C ATOM 847 OD1 ASP A 54 -5.694 -4.139 8.228 1.00 0.00 O ATOM 848 OD2 ASP A 54 -6.972 -2.864 6.988 1.00 0.00 O ATOM 0 H ASP A 54 -3.411 -0.065 8.264 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.225 -2.801 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.909 -1.796 9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.616 -0.927 7.744 1.00 0.00 H new ATOM 853 N LEU A 55 -4.137 -0.707 5.205 1.00 0.00 N ATOM 854 CA LEU A 55 -4.295 -0.551 3.761 1.00 0.00 C ATOM 855 C LEU A 55 -3.045 -1.019 3.021 1.00 0.00 C ATOM 856 O LEU A 55 -3.136 -1.727 2.018 1.00 0.00 O ATOM 857 CB LEU A 55 -4.584 0.911 3.413 1.00 0.00 C ATOM 858 CG LEU A 55 -4.686 1.223 1.918 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.787 0.400 1.268 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.932 2.708 1.702 1.00 0.00 C ATOM 0 H LEU A 55 -4.171 0.170 5.725 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.136 -1.168 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.519 1.203 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.798 1.531 3.843 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.740 0.956 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.841 0.639 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.569 -0.661 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.742 0.631 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.002 2.914 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.863 2.997 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.107 3.279 2.128 1.00 0.00 H new ATOM 872 N ALA A 56 -1.885 -0.620 3.526 1.00 0.00 N ATOM 873 CA ALA A 56 -0.609 -1.002 2.924 1.00 0.00 C ATOM 874 C ALA A 56 -0.478 -2.521 2.838 1.00 0.00 C ATOM 875 O ALA A 56 -0.069 -3.063 1.809 1.00 0.00 O ATOM 876 CB ALA A 56 0.551 -0.407 3.713 1.00 0.00 C ATOM 0 H ALA A 56 -1.799 -0.030 4.354 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.579 -0.604 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.494 -0.701 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.471 0.680 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.519 -0.774 4.739 1.00 0.00 H new ATOM 882 N ARG A 57 -0.848 -3.205 3.914 1.00 0.00 N ATOM 883 CA ARG A 57 -0.816 -4.662 3.934 1.00 0.00 C ATOM 884 C ARG A 57 -1.911 -5.241 3.044 1.00 0.00 C ATOM 885 O ARG A 57 -1.724 -6.280 2.407 1.00 0.00 O ATOM 886 CB ARG A 57 -0.960 -5.179 5.368 1.00 0.00 C ATOM 887 CG ARG A 57 0.225 -4.828 6.254 1.00 0.00 C ATOM 888 CD ARG A 57 0.041 -5.348 7.667 1.00 0.00 C ATOM 889 NE ARG A 57 1.234 -5.127 8.485 1.00 0.00 N ATOM 890 CZ ARG A 57 1.241 -5.161 9.815 1.00 0.00 C ATOM 891 NH1 ARG A 57 0.132 -5.435 10.487 1.00 0.00 N ATOM 892 NH2 ARG A 57 2.366 -4.932 10.480 1.00 0.00 N ATOM 0 H ARG A 57 -1.172 -2.776 4.781 1.00 0.00 H new ATOM 0 HA ARG A 57 0.147 -4.988 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.868 -4.766 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.081 -6.262 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.136 -5.248 5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.354 -3.746 6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.813 -4.853 8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.187 -6.414 7.636 1.00 0.00 H new ATOM 0 HE ARG A 57 2.114 -4.935 8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.736 -5.622 9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.146 -5.459 11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.227 -4.730 9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.370 -4.958 11.500 1.00 0.00 H new ATOM 906 N ALA A 58 -3.046 -4.557 2.987 1.00 0.00 N ATOM 907 CA ALA A 58 -4.153 -4.972 2.137 1.00 0.00 C ATOM 908 C ALA A 58 -3.735 -4.992 0.672 1.00 0.00 C ATOM 909 O ALA A 58 -4.187 -5.841 -0.099 1.00 0.00 O ATOM 910 CB ALA A 58 -5.352 -4.053 2.336 1.00 0.00 C ATOM 0 H ALA A 58 -3.224 -3.708 3.523 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.440 -5.984 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.170 -4.378 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.671 -4.092 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.073 -3.031 2.080 1.00 0.00 H new ATOM 916 N ILE A 59 -2.864 -4.057 0.294 1.00 0.00 N ATOM 917 CA ILE A 59 -2.363 -3.992 -1.071 1.00 0.00 C ATOM 918 C ILE A 59 -1.541 -5.233 -1.410 1.00 0.00 C ATOM 919 O ILE A 59 -1.786 -5.882 -2.424 1.00 0.00 O ATOM 920 CB ILE A 59 -1.510 -2.727 -1.314 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.350 -1.472 -1.084 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.937 -2.729 -2.728 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.592 -0.180 -1.296 1.00 0.00 C ATOM 0 H ILE A 59 -2.494 -3.337 0.915 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.235 -3.947 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.680 -2.729 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.208 -1.493 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.741 -1.490 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.339 -1.830 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.309 -3.609 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.752 -2.749 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.256 0.665 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.750 -0.135 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.224 -0.138 -2.321 1.00 0.00 H new ATOM 935 N ILE A 60 -0.589 -5.580 -0.545 1.00 0.00 N ATOM 936 CA ILE A 60 0.228 -6.775 -0.753 1.00 0.00 C ATOM 937 C ILE A 60 -0.652 -8.020 -0.751 1.00 0.00 C ATOM 938 O ILE A 60 -0.472 -8.932 -1.554 1.00 0.00 O ATOM 939 CB ILE A 60 1.334 -6.922 0.319 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.234 -5.685 0.322 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.158 -8.183 0.062 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.293 -5.716 1.398 1.00 0.00 C ATOM 0 H ILE A 60 -0.365 -5.055 0.301 1.00 0.00 H new ATOM 0 HA ILE A 60 0.716 -6.666 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 60 0.864 -7.011 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.718 -5.594 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.617 -4.796 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.932 -8.273 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.508 -9.057 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.623 -8.120 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.895 -4.809 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.816 -5.776 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.934 -6.586 1.253 1.00 0.00 H new ATOM 954 N ARG A 61 -1.618 -8.025 0.156 1.00 0.00 N ATOM 955 CA ARG A 61 -2.567 -9.121 0.285 1.00 0.00 C ATOM 956 C ARG A 61 -3.356 -9.345 -1.010 1.00 0.00 C ATOM 957 O ARG A 61 -3.665 -10.485 -1.368 1.00 0.00 O ATOM 958 CB ARG A 61 -3.528 -8.803 1.430 1.00 0.00 C ATOM 959 CG ARG A 61 -4.616 -9.837 1.655 1.00 0.00 C ATOM 960 CD ARG A 61 -5.674 -9.305 2.607 1.00 0.00 C ATOM 961 NE ARG A 61 -6.711 -10.294 2.891 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.879 -10.364 2.253 1.00 0.00 C ATOM 963 NH1 ARG A 61 -8.148 -9.538 1.248 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.776 -11.274 2.617 1.00 0.00 N ATOM 0 H ARG A 61 -1.766 -7.268 0.824 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.014 -10.037 0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.952 -8.696 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.998 -7.839 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.076 -10.101 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.179 -10.749 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.200 -9.000 3.540 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.132 -8.414 2.177 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.529 -10.977 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.458 -8.844 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.044 -9.598 0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.570 -11.916 3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.671 -11.331 2.131 1.00 0.00 H new ATOM 978 N ASP A 62 -3.677 -8.261 -1.712 1.00 0.00 N ATOM 979 CA ASP A 62 -4.544 -8.347 -2.889 1.00 0.00 C ATOM 980 C ASP A 62 -3.745 -8.476 -4.183 1.00 0.00 C ATOM 981 O ASP A 62 -4.227 -9.031 -5.172 1.00 0.00 O ATOM 982 CB ASP A 62 -5.458 -7.116 -2.953 1.00 0.00 C ATOM 983 CG ASP A 62 -6.482 -7.192 -4.072 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.529 -7.846 -3.881 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.250 -6.588 -5.141 1.00 0.00 O ATOM 0 H ASP A 62 -3.354 -7.319 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.148 -9.249 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.977 -7.006 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.847 -6.224 -3.088 1.00 0.00 H new ATOM 990 N THR A 63 -2.521 -7.992 -4.167 1.00 0.00 N ATOM 991 CA THR A 63 -1.694 -7.979 -5.366 1.00 0.00 C ATOM 992 C THR A 63 -1.017 -9.327 -5.597 1.00 0.00 C ATOM 993 O THR A 63 -0.504 -9.958 -4.670 1.00 0.00 O ATOM 994 CB THR A 63 -0.630 -6.863 -5.324 1.00 0.00 C ATOM 995 OG1 THR A 63 0.049 -6.867 -4.064 1.00 0.00 O ATOM 996 CG2 THR A 63 -1.262 -5.498 -5.567 1.00 0.00 C ATOM 0 H THR A 63 -2.072 -7.601 -3.339 1.00 0.00 H new ATOM 0 HA THR A 63 -2.368 -7.778 -6.199 1.00 0.00 H new ATOM 0 HB THR A 63 0.091 -7.057 -6.118 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.375 -6.221 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.491 -4.729 -5.532 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.741 -5.488 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.007 -5.300 -4.797 1.00 0.00 H new ATOM 1004 N VAL A 64 -1.016 -9.758 -6.846 1.00 0.00 N ATOM 1005 CA VAL A 64 -0.464 -11.052 -7.200 1.00 0.00 C ATOM 1006 C VAL A 64 0.964 -10.926 -7.718 1.00 0.00 C ATOM 1007 O VAL A 64 1.745 -11.871 -7.633 1.00 0.00 O ATOM 1008 CB VAL A 64 -1.339 -11.763 -8.253 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -2.707 -12.091 -7.674 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -1.488 -10.914 -9.509 1.00 0.00 C ATOM 0 H VAL A 64 -1.392 -9.229 -7.633 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.451 -11.652 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.841 -12.692 -8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.311 -12.592 -8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.589 -12.746 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.202 -11.170 -7.366 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.110 -11.441 -10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.956 -9.964 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.505 -10.729 -9.942 1.00 0.00 H new ATOM 1020 N GLU A 65 1.309 -9.752 -8.238 1.00 0.00 N ATOM 1021 CA GLU A 65 2.646 -9.521 -8.780 1.00 0.00 C ATOM 1022 C GLU A 65 3.671 -9.353 -7.664 1.00 0.00 C ATOM 1023 O GLU A 65 4.827 -9.760 -7.798 1.00 0.00 O ATOM 1024 CB GLU A 65 2.652 -8.299 -9.700 1.00 0.00 C ATOM 1025 CG GLU A 65 1.746 -8.451 -10.913 1.00 0.00 C ATOM 1026 CD GLU A 65 2.019 -9.729 -11.683 1.00 0.00 C ATOM 1027 OE1 GLU A 65 3.117 -9.857 -12.258 1.00 0.00 O ATOM 1028 OE2 GLU A 65 1.131 -10.608 -11.721 1.00 0.00 O ATOM 0 H GLU A 65 0.684 -8.948 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 65 2.925 -10.397 -9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.340 -7.423 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.671 -8.113 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.705 -8.441 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.883 -7.595 -11.574 1.00 0.00 H new ATOM 1035 N PHE A 66 3.246 -8.762 -6.554 1.00 0.00 N ATOM 1036 CA PHE A 66 4.108 -8.654 -5.385 1.00 0.00 C ATOM 1037 C PHE A 66 4.213 -10.005 -4.693 1.00 0.00 C ATOM 1038 O PHE A 66 5.202 -10.307 -4.032 1.00 0.00 O ATOM 1039 CB PHE A 66 3.584 -7.593 -4.417 1.00 0.00 C ATOM 1040 CG PHE A 66 3.711 -6.189 -4.942 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.923 -5.521 -4.877 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.621 -5.537 -5.496 1.00 0.00 C ATOM 1043 CE1 PHE A 66 5.046 -4.231 -5.358 1.00 0.00 C ATOM 1044 CE2 PHE A 66 2.739 -4.247 -5.976 1.00 0.00 C ATOM 1045 CZ PHE A 66 3.952 -3.593 -5.907 1.00 0.00 C ATOM 0 H PHE A 66 2.318 -8.354 -6.439 1.00 0.00 H new ATOM 0 HA PHE A 66 5.101 -8.346 -5.712 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.536 -7.798 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.127 -7.671 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.782 -6.014 -4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.669 -6.043 -5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.997 -3.723 -5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.882 -3.750 -6.405 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.045 -2.584 -6.282 1.00 0.00 H new ATOM 1055 N SER A 67 3.188 -10.822 -4.884 1.00 0.00 N ATOM 1056 CA SER A 67 3.170 -12.177 -4.356 1.00 0.00 C ATOM 1057 C SER A 67 3.647 -13.166 -5.418 1.00 0.00 C ATOM 1058 O SER A 67 3.183 -14.304 -5.483 1.00 0.00 O ATOM 1059 CB SER A 67 1.755 -12.530 -3.896 1.00 0.00 C ATOM 1060 OG SER A 67 1.313 -11.644 -2.875 1.00 0.00 O ATOM 0 H SER A 67 2.350 -10.566 -5.406 1.00 0.00 H new ATOM 0 HA SER A 67 3.846 -12.237 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.071 -12.483 -4.744 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.734 -13.555 -3.526 1.00 0.00 H new ATOM 0 HG SER A 67 0.680 -10.999 -3.253 1.00 0.00 H new