USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 527 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 5 THR OG1 : rot 180:sc= 0.012 USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= -0.328 F(o=-7.8!,f=-0.32) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.37 (180deg=-0.948) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= -0.0116 (180deg=-0.0712) USER MOD Single : A 10 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.63) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -5.75! F(o=-6.3,f=-5.7!) USER MOD Single : A 29 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-2.1) USER MOD Single : A 31 THR OG1 : rot -82:sc= 0.0546 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00223 X(o=-0.0022,f=-0.42) USER MOD Single : A 46 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.014) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.92 K(o=-1.9,f=-3.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.554 0.205 0.076 1.00 1.02 N ATOM 2 CA MET A 1 2.048 0.003 -1.281 1.00 31.30 C ATOM 3 C MET A 1 3.012 -1.178 -1.338 1.00 41.03 C ATOM 4 O MET A 1 4.024 -1.201 -0.637 1.00 33.40 O ATOM 5 CB MET A 1 2.742 1.268 -1.788 1.00 3.21 C ATOM 6 CG MET A 1 3.920 1.700 -0.930 1.00 2.32 C ATOM 7 SD MET A 1 5.509 1.382 -1.720 1.00 62.32 S ATOM 8 CE MET A 1 6.573 2.491 -0.801 1.00 2.11 C ATOM 0 H1 MET A 1 1.315 1.208 0.213 1.00 1.02 H new ATOM 0 H2 MET A 1 0.705 -0.377 0.227 1.00 1.02 H new ATOM 0 H3 MET A 1 2.289 -0.072 0.758 1.00 1.02 H new ATOM 0 HA MET A 1 1.195 -0.216 -1.923 1.00 31.30 H new ATOM 0 HB2 MET A 1 3.088 1.099 -2.808 1.00 3.21 H new ATOM 0 HB3 MET A 1 2.016 2.080 -1.829 1.00 3.21 H new ATOM 0 HG2 MET A 1 3.834 2.764 -0.711 1.00 2.32 H new ATOM 0 HG3 MET A 1 3.881 1.174 0.024 1.00 2.32 H new ATOM 0 HE1 MET A 1 7.594 2.409 -1.175 1.00 2.11 H new ATOM 0 HE2 MET A 1 6.223 3.516 -0.924 1.00 2.11 H new ATOM 0 HE3 MET A 1 6.551 2.224 0.256 1.00 2.11 H new ATOM 18 N LYS A 2 2.692 -2.157 -2.178 1.00 22.14 N ATOM 19 CA LYS A 2 3.530 -3.341 -2.328 1.00 31.03 C ATOM 20 C LYS A 2 4.246 -3.333 -3.674 1.00 63.44 C ATOM 21 O LYS A 2 3.975 -2.490 -4.529 1.00 75.13 O ATOM 22 CB LYS A 2 2.684 -4.610 -2.195 1.00 41.42 C ATOM 23 CG LYS A 2 2.060 -4.784 -0.821 1.00 40.34 C ATOM 24 CD LYS A 2 3.118 -4.857 0.267 1.00 62.04 C ATOM 25 CE LYS A 2 2.609 -5.605 1.489 1.00 5.14 C ATOM 26 NZ LYS A 2 1.879 -4.706 2.425 1.00 3.24 N ATOM 0 H LYS A 2 1.858 -2.154 -2.765 1.00 22.14 H new ATOM 0 HA LYS A 2 4.280 -3.328 -1.537 1.00 31.03 H new ATOM 0 HB2 LYS A 2 1.893 -4.589 -2.944 1.00 41.42 H new ATOM 0 HB3 LYS A 2 3.307 -5.477 -2.414 1.00 41.42 H new ATOM 0 HG2 LYS A 2 1.386 -3.952 -0.619 1.00 40.34 H new ATOM 0 HG3 LYS A 2 1.458 -5.693 -0.806 1.00 40.34 H new ATOM 0 HD2 LYS A 2 4.007 -5.354 -0.121 1.00 62.04 H new ATOM 0 HD3 LYS A 2 3.416 -3.849 0.554 1.00 62.04 H new ATOM 0 HE2 LYS A 2 1.949 -6.412 1.172 1.00 5.14 H new ATOM 0 HE3 LYS A 2 3.449 -6.066 2.009 1.00 5.14 H new ATOM 0 HZ1 LYS A 2 1.548 -5.253 3.245 1.00 3.24 H new ATOM 0 HZ2 LYS A 2 2.516 -3.950 2.748 1.00 3.24 H new ATOM 0 HZ3 LYS A 2 1.062 -4.286 1.937 1.00 3.24 H new ATOM 40 N LYS A 3 5.162 -4.279 -3.858 1.00 12.34 N ATOM 41 CA LYS A 3 5.916 -4.383 -5.101 1.00 71.41 C ATOM 42 C LYS A 3 6.077 -5.842 -5.518 1.00 43.35 C ATOM 43 O LYS A 3 6.512 -6.679 -4.729 1.00 3.21 O ATOM 44 CB LYS A 3 7.292 -3.732 -4.944 1.00 14.32 C ATOM 45 CG LYS A 3 7.238 -2.334 -4.351 1.00 24.31 C ATOM 46 CD LYS A 3 8.586 -1.916 -3.788 1.00 2.31 C ATOM 47 CE LYS A 3 8.449 -0.745 -2.826 1.00 64.50 C ATOM 48 NZ LYS A 3 9.077 0.493 -3.366 1.00 33.51 N ATOM 0 H LYS A 3 5.400 -4.985 -3.161 1.00 12.34 H new ATOM 0 HA LYS A 3 5.360 -3.859 -5.879 1.00 71.41 H new ATOM 0 HB2 LYS A 3 7.913 -4.363 -4.309 1.00 14.32 H new ATOM 0 HB3 LYS A 3 7.777 -3.686 -5.919 1.00 14.32 H new ATOM 0 HG2 LYS A 3 6.927 -1.624 -5.117 1.00 24.31 H new ATOM 0 HG3 LYS A 3 6.487 -2.301 -3.562 1.00 24.31 H new ATOM 0 HD2 LYS A 3 9.044 -2.760 -3.273 1.00 2.31 H new ATOM 0 HD3 LYS A 3 9.253 -1.641 -4.605 1.00 2.31 H new ATOM 0 HE2 LYS A 3 7.393 -0.560 -2.627 1.00 64.50 H new ATOM 0 HE3 LYS A 3 8.912 -1.001 -1.873 1.00 64.50 H new ATOM 0 HZ1 LYS A 3 8.962 1.267 -2.681 1.00 33.51 H new ATOM 0 HZ2 LYS A 3 10.090 0.325 -3.532 1.00 33.51 H new ATOM 0 HZ3 LYS A 3 8.618 0.753 -4.262 1.00 33.51 H new ATOM 62 N GLY A 4 5.725 -6.138 -6.766 1.00 31.22 N ATOM 63 CA GLY A 4 5.840 -7.496 -7.266 1.00 55.42 C ATOM 64 C GLY A 4 5.756 -7.565 -8.778 1.00 63.22 C ATOM 65 O GLY A 4 5.478 -6.564 -9.440 1.00 22.24 O ATOM 0 H GLY A 4 5.363 -5.462 -7.439 1.00 31.22 H new ATOM 0 HA2 GLY A 4 6.788 -7.922 -6.938 1.00 55.42 H new ATOM 0 HA3 GLY A 4 5.049 -8.108 -6.833 1.00 55.42 H new ATOM 69 N THR A 5 5.999 -8.751 -9.329 1.00 5.51 N ATOM 70 CA THR A 5 5.954 -8.946 -10.772 1.00 74.54 C ATOM 71 C THR A 5 4.516 -9.069 -11.265 1.00 63.31 C ATOM 72 O THR A 5 3.611 -9.393 -10.496 1.00 1.30 O ATOM 73 CB THR A 5 6.738 -10.203 -11.194 1.00 30.31 C ATOM 74 OG1 THR A 5 6.418 -11.295 -10.324 1.00 61.03 O ATOM 75 CG2 THR A 5 8.236 -9.943 -11.159 1.00 44.02 C ATOM 0 H THR A 5 6.229 -9.590 -8.797 1.00 5.51 H new ATOM 0 HA THR A 5 6.417 -8.069 -11.224 1.00 74.54 H new ATOM 0 HB THR A 5 6.453 -10.457 -12.215 1.00 30.31 H new ATOM 0 HG1 THR A 5 6.919 -12.091 -10.600 1.00 61.03 H new ATOM 0 HG21 THR A 5 8.769 -10.845 -11.461 1.00 44.02 H new ATOM 0 HG22 THR A 5 8.480 -9.131 -11.844 1.00 44.02 H new ATOM 0 HG23 THR A 5 8.534 -9.667 -10.147 1.00 44.02 H new ATOM 83 N VAL A 6 4.313 -8.810 -12.553 1.00 12.21 N ATOM 84 CA VAL A 6 2.985 -8.893 -13.149 1.00 72.30 C ATOM 85 C VAL A 6 2.798 -10.211 -13.892 1.00 33.43 C ATOM 86 O VAL A 6 3.670 -10.641 -14.646 1.00 64.33 O ATOM 87 CB VAL A 6 2.733 -7.727 -14.123 1.00 73.44 C ATOM 88 CG1 VAL A 6 3.628 -7.850 -15.347 1.00 24.43 C ATOM 89 CG2 VAL A 6 1.267 -7.679 -14.528 1.00 62.32 C ATOM 0 H VAL A 6 5.051 -8.541 -13.203 1.00 12.21 H new ATOM 0 HA VAL A 6 2.267 -8.835 -12.331 1.00 72.30 H new ATOM 0 HB VAL A 6 2.978 -6.794 -13.616 1.00 73.44 H new ATOM 0 HG11 VAL A 6 3.436 -7.017 -16.024 1.00 24.43 H new ATOM 0 HG12 VAL A 6 4.673 -7.832 -15.037 1.00 24.43 H new ATOM 0 HG13 VAL A 6 3.418 -8.789 -15.859 1.00 24.43 H new ATOM 0 HG21 VAL A 6 1.107 -6.849 -15.216 1.00 62.32 H new ATOM 0 HG22 VAL A 6 0.994 -8.614 -15.017 1.00 62.32 H new ATOM 0 HG23 VAL A 6 0.649 -7.539 -13.641 1.00 62.32 H new ATOM 99 N LYS A 7 1.653 -10.850 -13.674 1.00 10.34 N ATOM 100 CA LYS A 7 1.348 -12.119 -14.323 1.00 63.11 C ATOM 101 C LYS A 7 0.851 -11.896 -15.748 1.00 3.22 C ATOM 102 O LYS A 7 1.151 -12.679 -16.649 1.00 52.22 O ATOM 103 CB LYS A 7 0.297 -12.887 -13.519 1.00 72.43 C ATOM 104 CG LYS A 7 0.733 -14.289 -13.130 1.00 62.23 C ATOM 105 CD LYS A 7 0.280 -14.644 -11.724 1.00 74.53 C ATOM 106 CE LYS A 7 -1.213 -14.930 -11.676 1.00 35.42 C ATOM 107 NZ LYS A 7 -1.589 -15.716 -10.468 1.00 21.12 N ATOM 0 H LYS A 7 0.920 -10.509 -13.052 1.00 10.34 H new ATOM 0 HA LYS A 7 2.265 -12.707 -14.365 1.00 63.11 H new ATOM 0 HB2 LYS A 7 0.061 -12.325 -12.615 1.00 72.43 H new ATOM 0 HB3 LYS A 7 -0.621 -12.950 -14.104 1.00 72.43 H new ATOM 0 HG2 LYS A 7 0.322 -15.008 -13.838 1.00 62.23 H new ATOM 0 HG3 LYS A 7 1.819 -14.364 -13.193 1.00 62.23 H new ATOM 0 HD2 LYS A 7 0.830 -15.517 -11.373 1.00 74.53 H new ATOM 0 HD3 LYS A 7 0.517 -13.824 -11.046 1.00 74.53 H new ATOM 0 HE2 LYS A 7 -1.763 -13.989 -11.683 1.00 35.42 H new ATOM 0 HE3 LYS A 7 -1.507 -15.478 -12.571 1.00 35.42 H new ATOM 0 HZ1 LYS A 7 -2.622 -15.832 -10.437 1.00 21.12 H new ATOM 0 HZ2 LYS A 7 -1.137 -16.652 -10.508 1.00 21.12 H new ATOM 0 HZ3 LYS A 7 -1.271 -15.214 -9.614 1.00 21.12 H new ATOM 121 N TRP A 8 0.093 -10.823 -15.943 1.00 72.53 N ATOM 122 CA TRP A 8 -0.444 -10.497 -17.260 1.00 32.04 C ATOM 123 C TRP A 8 -1.209 -9.178 -17.224 1.00 21.52 C ATOM 124 O TRP A 8 -1.853 -8.850 -16.227 1.00 61.02 O ATOM 125 CB TRP A 8 -1.360 -11.619 -17.752 1.00 10.21 C ATOM 126 CG TRP A 8 -2.471 -11.940 -16.799 1.00 14.30 C ATOM 127 CD1 TRP A 8 -3.538 -11.146 -16.486 1.00 41.15 C ATOM 128 CD2 TRP A 8 -2.624 -13.140 -16.034 1.00 12.04 C ATOM 129 NE1 TRP A 8 -4.344 -11.780 -15.573 1.00 35.52 N ATOM 130 CE2 TRP A 8 -3.806 -13.006 -15.280 1.00 14.55 C ATOM 131 CE3 TRP A 8 -1.879 -14.316 -15.913 1.00 41.14 C ATOM 132 CZ2 TRP A 8 -4.257 -14.002 -14.418 1.00 60.42 C ATOM 133 CZ3 TRP A 8 -2.327 -15.304 -15.058 1.00 33.21 C ATOM 134 CH2 TRP A 8 -3.507 -15.143 -14.320 1.00 35.11 C ATOM 0 H TRP A 8 -0.164 -10.165 -15.207 1.00 72.53 H new ATOM 0 HA TRP A 8 0.393 -10.392 -17.951 1.00 32.04 H new ATOM 0 HB2 TRP A 8 -1.787 -11.334 -18.714 1.00 10.21 H new ATOM 0 HB3 TRP A 8 -0.765 -12.517 -17.921 1.00 10.21 H new ATOM 0 HD1 TRP A 8 -3.721 -10.164 -16.896 1.00 41.15 H new ATOM 0 HE1 TRP A 8 -5.204 -11.400 -15.177 1.00 35.52 H new ATOM 0 HE3 TRP A 8 -0.969 -14.450 -16.478 1.00 41.14 H new ATOM 0 HZ2 TRP A 8 -5.166 -13.879 -13.847 1.00 60.42 H new ATOM 0 HZ3 TRP A 8 -1.758 -16.216 -14.957 1.00 33.21 H new ATOM 0 HH2 TRP A 8 -3.831 -15.935 -13.661 1.00 35.11 H new ATOM 145 N PHE A 9 -1.134 -8.426 -18.317 1.00 33.32 N ATOM 146 CA PHE A 9 -1.820 -7.142 -18.409 1.00 65.45 C ATOM 147 C PHE A 9 -2.529 -7.001 -19.753 1.00 15.53 C ATOM 148 O PHE A 9 -1.907 -6.684 -20.765 1.00 63.54 O ATOM 149 CB PHE A 9 -0.825 -5.995 -18.222 1.00 11.22 C ATOM 150 CG PHE A 9 -1.481 -4.653 -18.066 1.00 0.41 C ATOM 151 CD1 PHE A 9 -1.802 -3.891 -19.177 1.00 54.45 C ATOM 152 CD2 PHE A 9 -1.776 -4.153 -16.808 1.00 4.24 C ATOM 153 CE1 PHE A 9 -2.406 -2.655 -19.038 1.00 34.24 C ATOM 154 CE2 PHE A 9 -2.380 -2.918 -16.662 1.00 22.44 C ATOM 155 CZ PHE A 9 -2.694 -2.168 -17.778 1.00 35.22 C ATOM 0 H PHE A 9 -0.606 -8.683 -19.151 1.00 33.32 H new ATOM 0 HA PHE A 9 -2.567 -7.099 -17.617 1.00 65.45 H new ATOM 0 HB2 PHE A 9 -0.212 -6.196 -17.343 1.00 11.22 H new ATOM 0 HB3 PHE A 9 -0.152 -5.964 -19.079 1.00 11.22 H new ATOM 0 HD1 PHE A 9 -1.578 -4.267 -20.164 1.00 54.45 H new ATOM 0 HD2 PHE A 9 -1.531 -4.735 -15.931 1.00 4.24 H new ATOM 0 HE1 PHE A 9 -2.652 -2.072 -19.913 1.00 34.24 H new ATOM 0 HE2 PHE A 9 -2.606 -2.540 -15.676 1.00 22.44 H new ATOM 0 HZ PHE A 9 -3.164 -1.202 -17.666 1.00 35.22 H new ATOM 165 N ASN A 10 -3.837 -7.237 -19.752 1.00 33.41 N ATOM 166 CA ASN A 10 -4.633 -7.137 -20.970 1.00 61.51 C ATOM 167 C ASN A 10 -4.931 -5.680 -21.307 1.00 13.32 C ATOM 168 O ASN A 10 -5.744 -5.033 -20.646 1.00 63.32 O ATOM 169 CB ASN A 10 -5.941 -7.915 -20.815 1.00 15.13 C ATOM 170 CG ASN A 10 -6.501 -8.378 -22.146 1.00 43.32 C ATOM 171 OD1 ASN A 10 -5.763 -8.850 -23.011 1.00 72.52 O ATOM 172 ND2 ASN A 10 -7.811 -8.243 -22.316 1.00 43.15 N ATOM 0 H ASN A 10 -4.368 -7.499 -18.921 1.00 33.41 H new ATOM 0 HA ASN A 10 -4.056 -7.569 -21.788 1.00 61.51 H new ATOM 0 HB2 ASN A 10 -5.772 -8.781 -20.175 1.00 15.13 H new ATOM 0 HB3 ASN A 10 -6.677 -7.286 -20.313 1.00 15.13 H new ATOM 0 HD21 ASN A 10 -8.245 -8.536 -23.192 1.00 43.15 H new ATOM 0 HD22 ASN A 10 -8.384 -7.846 -21.571 1.00 43.15 H new ATOM 179 N ALA A 11 -4.269 -5.169 -22.339 1.00 44.04 N ATOM 180 CA ALA A 11 -4.465 -3.789 -22.766 1.00 4.01 C ATOM 181 C ALA A 11 -5.770 -3.633 -23.539 1.00 23.30 C ATOM 182 O ALA A 11 -6.319 -2.536 -23.632 1.00 20.21 O ATOM 183 CB ALA A 11 -3.289 -3.326 -23.613 1.00 65.42 C ATOM 0 H ALA A 11 -3.592 -5.690 -22.896 1.00 44.04 H new ATOM 0 HA ALA A 11 -4.525 -3.164 -21.875 1.00 4.01 H new ATOM 0 HB1 ALA A 11 -3.449 -2.294 -23.925 1.00 65.42 H new ATOM 0 HB2 ALA A 11 -2.372 -3.390 -23.028 1.00 65.42 H new ATOM 0 HB3 ALA A 11 -3.203 -3.962 -24.494 1.00 65.42 H new ATOM 189 N GLU A 12 -6.260 -4.738 -24.092 1.00 61.23 N ATOM 190 CA GLU A 12 -7.500 -4.722 -24.859 1.00 32.41 C ATOM 191 C GLU A 12 -8.689 -4.383 -23.964 1.00 23.43 C ATOM 192 O GLU A 12 -9.674 -3.800 -24.415 1.00 12.40 O ATOM 193 CB GLU A 12 -7.726 -6.077 -25.534 1.00 0.12 C ATOM 194 CG GLU A 12 -7.090 -6.185 -26.909 1.00 64.23 C ATOM 195 CD GLU A 12 -6.890 -7.623 -27.348 1.00 41.22 C ATOM 196 OE1 GLU A 12 -5.901 -8.245 -26.907 1.00 71.20 O ATOM 197 OE2 GLU A 12 -7.722 -8.125 -28.132 1.00 64.34 O ATOM 0 H GLU A 12 -5.818 -5.655 -24.023 1.00 61.23 H new ATOM 0 HA GLU A 12 -7.413 -3.952 -25.626 1.00 32.41 H new ATOM 0 HB2 GLU A 12 -7.325 -6.863 -24.895 1.00 0.12 H new ATOM 0 HB3 GLU A 12 -8.798 -6.255 -25.624 1.00 0.12 H new ATOM 0 HG2 GLU A 12 -7.718 -5.671 -27.637 1.00 64.23 H new ATOM 0 HG3 GLU A 12 -6.127 -5.674 -26.901 1.00 64.23 H new ATOM 204 N LYS A 13 -8.589 -4.755 -22.692 1.00 5.52 N ATOM 205 CA LYS A 13 -9.653 -4.490 -21.731 1.00 72.52 C ATOM 206 C LYS A 13 -9.233 -3.413 -20.736 1.00 32.50 C ATOM 207 O LYS A 13 -10.030 -2.553 -20.364 1.00 73.32 O ATOM 208 CB LYS A 13 -10.024 -5.774 -20.984 1.00 42.41 C ATOM 209 CG LYS A 13 -10.853 -6.741 -21.811 1.00 13.22 C ATOM 210 CD LYS A 13 -12.187 -6.132 -22.209 1.00 35.02 C ATOM 211 CE LYS A 13 -13.265 -7.196 -22.351 1.00 13.23 C ATOM 212 NZ LYS A 13 -14.315 -6.795 -23.328 1.00 0.00 N ATOM 0 H LYS A 13 -7.781 -5.241 -22.303 1.00 5.52 H new ATOM 0 HA LYS A 13 -10.524 -4.131 -22.280 1.00 72.52 H new ATOM 0 HB2 LYS A 13 -9.110 -6.274 -20.663 1.00 42.41 H new ATOM 0 HB3 LYS A 13 -10.578 -5.513 -20.082 1.00 42.41 H new ATOM 0 HG2 LYS A 13 -10.299 -7.023 -22.706 1.00 13.22 H new ATOM 0 HG3 LYS A 13 -11.024 -7.654 -21.241 1.00 13.22 H new ATOM 0 HD2 LYS A 13 -12.492 -5.401 -21.460 1.00 35.02 H new ATOM 0 HD3 LYS A 13 -12.077 -5.596 -23.152 1.00 35.02 H new ATOM 0 HE2 LYS A 13 -12.810 -8.133 -22.671 1.00 13.23 H new ATOM 0 HE3 LYS A 13 -13.724 -7.380 -21.380 1.00 13.23 H new ATOM 0 HZ1 LYS A 13 -15.031 -7.546 -23.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.767 -5.914 -23.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.881 -6.644 -24.261 1.00 0.00 H new ATOM 226 N GLY A 14 -7.975 -3.466 -20.309 1.00 70.51 N ATOM 227 CA GLY A 14 -7.471 -2.489 -19.362 1.00 72.00 C ATOM 228 C GLY A 14 -7.397 -3.035 -17.950 1.00 4.11 C ATOM 229 O GLY A 14 -7.745 -2.345 -16.991 1.00 62.31 O ATOM 0 H GLY A 14 -7.296 -4.168 -20.602 1.00 70.51 H new ATOM 0 HA2 GLY A 14 -6.479 -2.163 -19.675 1.00 72.00 H new ATOM 0 HA3 GLY A 14 -8.115 -1.609 -19.375 1.00 72.00 H new ATOM 233 N TYR A 15 -6.943 -4.277 -17.821 1.00 11.33 N ATOM 234 CA TYR A 15 -6.828 -4.916 -16.516 1.00 30.44 C ATOM 235 C TYR A 15 -5.550 -5.745 -16.426 1.00 34.41 C ATOM 236 O TYR A 15 -4.834 -5.912 -17.412 1.00 52.23 O ATOM 237 CB TYR A 15 -8.045 -5.804 -16.250 1.00 60.43 C ATOM 238 CG TYR A 15 -7.985 -7.141 -16.955 1.00 42.44 C ATOM 239 CD1 TYR A 15 -7.377 -8.237 -16.356 1.00 62.25 C ATOM 240 CD2 TYR A 15 -8.535 -7.306 -18.220 1.00 63.44 C ATOM 241 CE1 TYR A 15 -7.319 -9.460 -16.997 1.00 43.10 C ATOM 242 CE2 TYR A 15 -8.483 -8.526 -18.868 1.00 4.33 C ATOM 243 CZ TYR A 15 -7.873 -9.599 -18.252 1.00 74.21 C ATOM 244 OH TYR A 15 -7.818 -10.815 -18.894 1.00 72.02 O ATOM 0 H TYR A 15 -6.649 -4.861 -18.604 1.00 11.33 H new ATOM 0 HA TYR A 15 -6.786 -4.133 -15.759 1.00 30.44 H new ATOM 0 HB2 TYR A 15 -8.134 -5.972 -15.177 1.00 60.43 H new ATOM 0 HB3 TYR A 15 -8.945 -5.276 -16.565 1.00 60.43 H new ATOM 0 HD1 TYR A 15 -6.942 -8.132 -15.373 1.00 62.25 H new ATOM 0 HD2 TYR A 15 -9.011 -6.467 -18.705 1.00 63.44 H new ATOM 0 HE1 TYR A 15 -6.842 -10.302 -16.518 1.00 43.10 H new ATOM 0 HE2 TYR A 15 -8.917 -8.638 -19.850 1.00 4.33 H new ATOM 0 HH TYR A 15 -8.255 -10.743 -19.768 1.00 72.02 H new ATOM 254 N GLY A 16 -5.272 -6.264 -15.234 1.00 23.51 N ATOM 255 CA GLY A 16 -4.081 -7.071 -15.036 1.00 13.43 C ATOM 256 C GLY A 16 -3.997 -7.646 -13.636 1.00 33.20 C ATOM 257 O GLY A 16 -4.778 -7.279 -12.758 1.00 35.01 O ATOM 0 H GLY A 16 -5.849 -6.140 -14.402 1.00 23.51 H new ATOM 0 HA2 GLY A 16 -4.073 -7.885 -15.761 1.00 13.43 H new ATOM 0 HA3 GLY A 16 -3.197 -6.463 -15.229 1.00 13.43 H new ATOM 261 N PHE A 17 -3.048 -8.553 -13.427 1.00 13.54 N ATOM 262 CA PHE A 17 -2.867 -9.182 -12.124 1.00 22.50 C ATOM 263 C PHE A 17 -1.403 -9.134 -11.696 1.00 11.25 C ATOM 264 O PHE A 17 -0.505 -9.434 -12.483 1.00 2.34 O ATOM 265 CB PHE A 17 -3.350 -10.634 -12.164 1.00 13.42 C ATOM 266 CG PHE A 17 -4.817 -10.785 -11.878 1.00 52.33 C ATOM 267 CD1 PHE A 17 -5.761 -10.430 -12.828 1.00 55.20 C ATOM 268 CD2 PHE A 17 -5.252 -11.281 -10.660 1.00 23.22 C ATOM 269 CE1 PHE A 17 -7.112 -10.568 -12.569 1.00 11.13 C ATOM 270 CE2 PHE A 17 -6.601 -11.422 -10.395 1.00 42.10 C ATOM 271 CZ PHE A 17 -7.532 -11.064 -11.350 1.00 52.31 C ATOM 0 H PHE A 17 -2.393 -8.868 -14.143 1.00 13.54 H new ATOM 0 HA PHE A 17 -3.459 -8.628 -11.395 1.00 22.50 H new ATOM 0 HB2 PHE A 17 -3.134 -11.053 -13.147 1.00 13.42 H new ATOM 0 HB3 PHE A 17 -2.784 -11.217 -11.437 1.00 13.42 H new ATOM 0 HD1 PHE A 17 -5.438 -10.041 -13.782 1.00 55.20 H new ATOM 0 HD2 PHE A 17 -4.528 -11.561 -9.909 1.00 23.22 H new ATOM 0 HE1 PHE A 17 -7.838 -10.289 -13.318 1.00 11.13 H new ATOM 0 HE2 PHE A 17 -6.927 -11.812 -9.442 1.00 42.10 H new ATOM 0 HZ PHE A 17 -8.587 -11.172 -11.144 1.00 52.31 H new ATOM 281 N ILE A 18 -1.172 -8.754 -10.444 1.00 3.34 N ATOM 282 CA ILE A 18 0.182 -8.666 -9.910 1.00 70.11 C ATOM 283 C ILE A 18 0.388 -9.656 -8.769 1.00 1.14 C ATOM 284 O ILE A 18 -0.547 -9.976 -8.036 1.00 13.23 O ATOM 285 CB ILE A 18 0.498 -7.245 -9.406 1.00 74.51 C ATOM 286 CG1 ILE A 18 0.337 -6.231 -10.540 1.00 51.01 C ATOM 287 CG2 ILE A 18 1.905 -7.188 -8.832 1.00 44.21 C ATOM 288 CD1 ILE A 18 0.064 -4.824 -10.058 1.00 13.44 C ATOM 0 H ILE A 18 -1.905 -8.502 -9.780 1.00 3.34 H new ATOM 0 HA ILE A 18 0.860 -8.911 -10.727 1.00 70.11 H new ATOM 0 HB ILE A 18 -0.207 -6.991 -8.614 1.00 74.51 H new ATOM 0 HG12 ILE A 18 1.243 -6.229 -11.146 1.00 51.01 H new ATOM 0 HG13 ILE A 18 -0.480 -6.549 -11.188 1.00 51.01 H new ATOM 0 HG21 ILE A 18 2.114 -6.178 -8.480 1.00 44.21 H new ATOM 0 HG22 ILE A 18 1.987 -7.887 -7.999 1.00 44.21 H new ATOM 0 HG23 ILE A 18 2.624 -7.459 -9.605 1.00 44.21 H new ATOM 0 HD11 ILE A 18 -0.039 -4.159 -10.916 1.00 13.44 H new ATOM 0 HD12 ILE A 18 -0.858 -4.811 -9.476 1.00 13.44 H new ATOM 0 HD13 ILE A 18 0.891 -4.486 -9.434 1.00 13.44 H new ATOM 300 N GLN A 19 1.619 -10.135 -8.624 1.00 22.54 N ATOM 301 CA GLN A 19 1.948 -11.088 -7.570 1.00 21.31 C ATOM 302 C GLN A 19 3.034 -10.533 -6.654 1.00 32.42 C ATOM 303 O GLN A 19 4.080 -10.083 -7.119 1.00 63.21 O ATOM 304 CB GLN A 19 2.406 -12.415 -8.178 1.00 20.12 C ATOM 305 CG GLN A 19 3.575 -12.273 -9.139 1.00 40.41 C ATOM 306 CD GLN A 19 3.149 -12.353 -10.592 1.00 1.22 C ATOM 307 OE1 GLN A 19 2.030 -11.716 -10.917 1.00 44.03 O flip ATOM 308 NE2 GLN A 19 3.818 -12.980 -11.413 1.00 31.41 N flip ATOM 0 H GLN A 19 2.405 -9.879 -9.222 1.00 22.54 H new ATOM 0 HA GLN A 19 1.050 -11.259 -6.976 1.00 21.31 H new ATOM 0 HB2 GLN A 19 2.688 -13.095 -7.374 1.00 20.12 H new ATOM 0 HB3 GLN A 19 1.568 -12.873 -8.704 1.00 20.12 H new ATOM 0 HG2 GLN A 19 4.072 -11.319 -8.962 1.00 40.41 H new ATOM 0 HG3 GLN A 19 4.305 -13.056 -8.935 1.00 40.41 H new ATOM 0 HE21 GLN A 19 4.672 -13.455 -11.119 1.00 31.41 H new ATOM 0 HE22 GLN A 19 3.519 -13.025 -12.387 1.00 31.41 H new ATOM 317 N GLN A 20 2.777 -10.569 -5.350 1.00 74.13 N ATOM 318 CA GLN A 20 3.732 -10.068 -4.370 1.00 23.54 C ATOM 319 C GLN A 20 3.957 -11.088 -3.258 1.00 75.41 C ATOM 320 O GLN A 20 3.288 -12.120 -3.206 1.00 52.01 O ATOM 321 CB GLN A 20 3.240 -8.748 -3.775 1.00 2.04 C ATOM 322 CG GLN A 20 4.361 -7.852 -3.272 1.00 52.13 C ATOM 323 CD GLN A 20 4.401 -7.760 -1.760 1.00 13.43 C ATOM 324 OE1 GLN A 20 3.239 -7.560 -1.148 1.00 32.35 O flip ATOM 325 NE2 GLN A 20 5.464 -7.866 -1.148 1.00 3.13 N flip ATOM 0 H GLN A 20 1.916 -10.940 -4.949 1.00 74.13 H new ATOM 0 HA GLN A 20 4.680 -9.897 -4.879 1.00 23.54 H new ATOM 0 HB2 GLN A 20 2.667 -8.210 -4.530 1.00 2.04 H new ATOM 0 HB3 GLN A 20 2.559 -8.962 -2.951 1.00 2.04 H new ATOM 0 HG2 GLN A 20 5.316 -8.233 -3.634 1.00 52.13 H new ATOM 0 HG3 GLN A 20 4.237 -6.853 -3.690 1.00 52.13 H new ATOM 0 HE21 GLN A 20 6.333 -8.019 -1.659 1.00 3.13 H new ATOM 0 HE22 GLN A 20 5.475 -7.801 -0.130 1.00 3.13 H new ATOM 334 N GLU A 21 4.902 -10.792 -2.372 1.00 30.34 N ATOM 335 CA GLU A 21 5.214 -11.685 -1.262 1.00 23.21 C ATOM 336 C GLU A 21 4.084 -11.696 -0.237 1.00 53.51 C ATOM 337 O GLU A 21 4.010 -12.584 0.611 1.00 74.22 O ATOM 338 CB GLU A 21 6.522 -11.262 -0.590 1.00 44.13 C ATOM 339 CG GLU A 21 6.351 -10.146 0.427 1.00 20.51 C ATOM 340 CD GLU A 21 7.460 -9.115 0.354 1.00 54.52 C ATOM 341 OE1 GLU A 21 7.915 -8.811 -0.769 1.00 12.35 O ATOM 342 OE2 GLU A 21 7.872 -8.611 1.420 1.00 53.43 O ATOM 0 H GLU A 21 5.465 -9.942 -2.401 1.00 30.34 H new ATOM 0 HA GLU A 21 5.328 -12.693 -1.662 1.00 23.21 H new ATOM 0 HB2 GLU A 21 6.963 -12.128 -0.096 1.00 44.13 H new ATOM 0 HB3 GLU A 21 7.226 -10.939 -1.356 1.00 44.13 H new ATOM 0 HG2 GLU A 21 5.392 -9.655 0.264 1.00 20.51 H new ATOM 0 HG3 GLU A 21 6.323 -10.574 1.429 1.00 20.51 H new ATOM 349 N GLU A 22 3.206 -10.700 -0.322 1.00 63.55 N ATOM 350 CA GLU A 22 2.081 -10.594 0.598 1.00 34.53 C ATOM 351 C GLU A 22 0.806 -10.202 -0.144 1.00 20.14 C ATOM 352 O GLU A 22 0.374 -9.051 -0.092 1.00 31.42 O ATOM 353 CB GLU A 22 2.383 -9.569 1.693 1.00 40.23 C ATOM 354 CG GLU A 22 3.676 -9.842 2.443 1.00 71.34 C ATOM 355 CD GLU A 22 3.602 -9.435 3.901 1.00 13.23 C ATOM 356 OE1 GLU A 22 2.566 -9.712 4.542 1.00 51.41 O ATOM 357 OE2 GLU A 22 4.578 -8.839 4.402 1.00 22.20 O ATOM 0 H GLU A 22 3.253 -9.956 -1.018 1.00 63.55 H new ATOM 0 HA GLU A 22 1.928 -11.570 1.057 1.00 34.53 H new ATOM 0 HB2 GLU A 22 2.435 -8.577 1.245 1.00 40.23 H new ATOM 0 HB3 GLU A 22 1.557 -9.555 2.404 1.00 40.23 H new ATOM 0 HG2 GLU A 22 3.912 -10.904 2.378 1.00 71.34 H new ATOM 0 HG3 GLU A 22 4.492 -9.304 1.961 1.00 71.34 H new ATOM 364 N GLY A 23 0.209 -11.169 -0.835 1.00 10.53 N ATOM 365 CA GLY A 23 -1.009 -10.905 -1.578 1.00 12.00 C ATOM 366 C GLY A 23 -0.825 -11.075 -3.073 1.00 24.32 C ATOM 367 O GLY A 23 -0.795 -10.106 -3.831 1.00 15.42 O ATOM 0 H GLY A 23 0.547 -12.130 -0.893 1.00 10.53 H new ATOM 0 HA2 GLY A 23 -1.794 -11.578 -1.233 1.00 12.00 H new ATOM 0 HA3 GLY A 23 -1.345 -9.889 -1.370 1.00 12.00 H new ATOM 371 N PRO A 24 -0.694 -12.334 -3.517 1.00 72.13 N ATOM 372 CA PRO A 24 -0.508 -12.658 -4.935 1.00 1.22 C ATOM 373 C PRO A 24 -1.762 -12.392 -5.760 1.00 35.52 C ATOM 374 O PRO A 24 -2.848 -12.200 -5.212 1.00 31.21 O ATOM 375 CB PRO A 24 -0.186 -14.154 -4.918 1.00 23.25 C ATOM 376 CG PRO A 24 -0.812 -14.662 -3.665 1.00 74.11 C ATOM 377 CD PRO A 24 -0.719 -13.538 -2.670 1.00 73.42 C ATOM 0 HA PRO A 24 0.269 -12.046 -5.394 1.00 1.22 H new ATOM 0 HB2 PRO A 24 -0.593 -14.656 -5.796 1.00 23.25 H new ATOM 0 HB3 PRO A 24 0.890 -14.327 -4.921 1.00 23.25 H new ATOM 0 HG2 PRO A 24 -1.850 -14.947 -3.835 1.00 74.11 H new ATOM 0 HG3 PRO A 24 -0.293 -15.549 -3.301 1.00 74.11 H new ATOM 0 HD2 PRO A 24 -1.570 -13.533 -1.989 1.00 73.42 H new ATOM 0 HD3 PRO A 24 0.179 -13.617 -2.057 1.00 73.42 H new ATOM 385 N ASP A 25 -1.606 -12.384 -7.079 1.00 54.20 N ATOM 386 CA ASP A 25 -2.728 -12.144 -7.980 1.00 43.40 C ATOM 387 C ASP A 25 -3.637 -11.046 -7.436 1.00 4.13 C ATOM 388 O ASP A 25 -4.668 -11.326 -6.825 1.00 54.33 O ATOM 389 CB ASP A 25 -3.528 -13.430 -8.187 1.00 34.24 C ATOM 390 CG ASP A 25 -3.960 -14.060 -6.877 1.00 24.32 C ATOM 391 OD1 ASP A 25 -3.136 -14.768 -6.260 1.00 54.00 O ATOM 392 OD2 ASP A 25 -5.121 -13.847 -6.469 1.00 43.50 O ATOM 0 H ASP A 25 -0.714 -12.541 -7.548 1.00 54.20 H new ATOM 0 HA ASP A 25 -2.328 -11.817 -8.939 1.00 43.40 H new ATOM 0 HB2 ASP A 25 -4.409 -13.213 -8.791 1.00 34.24 H new ATOM 0 HB3 ASP A 25 -2.925 -14.143 -8.748 1.00 34.24 H new ATOM 397 N VAL A 26 -3.246 -9.795 -7.660 1.00 64.42 N ATOM 398 CA VAL A 26 -4.025 -8.655 -7.193 1.00 22.25 C ATOM 399 C VAL A 26 -4.826 -8.033 -8.331 1.00 5.22 C ATOM 400 O VAL A 26 -4.423 -8.094 -9.493 1.00 14.21 O ATOM 401 CB VAL A 26 -3.121 -7.577 -6.566 1.00 0.03 C ATOM 402 CG1 VAL A 26 -2.569 -6.652 -7.640 1.00 32.12 C ATOM 403 CG2 VAL A 26 -3.885 -6.789 -5.513 1.00 2.45 C ATOM 0 H VAL A 26 -2.394 -9.546 -8.162 1.00 64.42 H new ATOM 0 HA VAL A 26 -4.711 -9.030 -6.433 1.00 22.25 H new ATOM 0 HB VAL A 26 -2.280 -8.071 -6.079 1.00 0.03 H new ATOM 0 HG11 VAL A 26 -1.933 -5.897 -7.178 1.00 32.12 H new ATOM 0 HG12 VAL A 26 -1.984 -7.232 -8.354 1.00 32.12 H new ATOM 0 HG13 VAL A 26 -3.394 -6.163 -8.158 1.00 32.12 H new ATOM 0 HG21 VAL A 26 -3.232 -6.032 -5.080 1.00 2.45 H new ATOM 0 HG22 VAL A 26 -4.746 -6.305 -5.974 1.00 2.45 H new ATOM 0 HG23 VAL A 26 -4.226 -7.465 -4.729 1.00 2.45 H new ATOM 413 N PHE A 27 -5.961 -7.433 -7.989 1.00 72.21 N ATOM 414 CA PHE A 27 -6.820 -6.799 -8.983 1.00 21.14 C ATOM 415 C PHE A 27 -6.258 -5.443 -9.401 1.00 35.23 C ATOM 416 O PHE A 27 -6.179 -4.516 -8.595 1.00 31.15 O ATOM 417 CB PHE A 27 -8.236 -6.629 -8.429 1.00 52.33 C ATOM 418 CG PHE A 27 -9.309 -6.779 -9.470 1.00 65.02 C ATOM 419 CD1 PHE A 27 -9.819 -8.029 -9.782 1.00 54.30 C ATOM 420 CD2 PHE A 27 -9.806 -5.671 -10.136 1.00 50.25 C ATOM 421 CE1 PHE A 27 -10.806 -8.170 -10.740 1.00 45.20 C ATOM 422 CE2 PHE A 27 -10.793 -5.806 -11.095 1.00 45.42 C ATOM 423 CZ PHE A 27 -11.294 -7.057 -11.397 1.00 4.25 C ATOM 0 H PHE A 27 -6.308 -7.372 -7.032 1.00 72.21 H new ATOM 0 HA PHE A 27 -6.856 -7.444 -9.861 1.00 21.14 H new ATOM 0 HB2 PHE A 27 -8.400 -7.364 -7.641 1.00 52.33 H new ATOM 0 HB3 PHE A 27 -8.322 -5.644 -7.969 1.00 52.33 H new ATOM 0 HD1 PHE A 27 -9.441 -8.903 -9.271 1.00 54.30 H new ATOM 0 HD2 PHE A 27 -9.418 -4.690 -9.904 1.00 50.25 H new ATOM 0 HE1 PHE A 27 -11.195 -9.150 -10.975 1.00 45.20 H new ATOM 0 HE2 PHE A 27 -11.172 -4.934 -11.607 1.00 45.42 H new ATOM 0 HZ PHE A 27 -12.065 -7.165 -12.145 1.00 4.25 H new ATOM 433 N VAL A 28 -5.869 -5.335 -10.667 1.00 74.52 N ATOM 434 CA VAL A 28 -5.316 -4.094 -11.194 1.00 3.21 C ATOM 435 C VAL A 28 -6.025 -3.677 -12.477 1.00 40.43 C ATOM 436 O VAL A 28 -6.403 -4.519 -13.292 1.00 52.33 O ATOM 437 CB VAL A 28 -3.807 -4.226 -11.474 1.00 21.40 C ATOM 438 CG1 VAL A 28 -3.217 -5.386 -10.686 1.00 12.24 C ATOM 439 CG2 VAL A 28 -3.555 -4.401 -12.964 1.00 75.40 C ATOM 0 H VAL A 28 -5.927 -6.093 -11.347 1.00 74.52 H new ATOM 0 HA VAL A 28 -5.471 -3.330 -10.432 1.00 3.21 H new ATOM 0 HB VAL A 28 -3.314 -3.310 -11.150 1.00 21.40 H new ATOM 0 HG11 VAL A 28 -2.150 -5.464 -10.897 1.00 12.24 H new ATOM 0 HG12 VAL A 28 -3.365 -5.214 -9.620 1.00 12.24 H new ATOM 0 HG13 VAL A 28 -3.713 -6.312 -10.976 1.00 12.24 H new ATOM 0 HG21 VAL A 28 -2.484 -4.493 -13.144 1.00 75.40 H new ATOM 0 HG22 VAL A 28 -4.060 -5.301 -13.315 1.00 75.40 H new ATOM 0 HG23 VAL A 28 -3.940 -3.535 -13.502 1.00 75.40 H new ATOM 449 N HIS A 29 -6.202 -2.371 -12.651 1.00 52.33 N ATOM 450 CA HIS A 29 -6.866 -1.841 -13.837 1.00 43.42 C ATOM 451 C HIS A 29 -6.247 -0.511 -14.257 1.00 41.22 C ATOM 452 O HIS A 29 -5.571 0.148 -13.467 1.00 12.43 O ATOM 453 CB HIS A 29 -8.361 -1.660 -13.573 1.00 42.02 C ATOM 454 CG HIS A 29 -9.187 -2.843 -13.975 1.00 11.23 C ATOM 455 ND1 HIS A 29 -10.077 -2.817 -15.028 1.00 1.41 N ATOM 456 CD2 HIS A 29 -9.254 -4.092 -13.459 1.00 22.42 C ATOM 457 CE1 HIS A 29 -10.656 -3.998 -15.141 1.00 74.32 C ATOM 458 NE2 HIS A 29 -10.174 -4.791 -14.201 1.00 51.21 N ATOM 0 H HIS A 29 -5.895 -1.661 -11.986 1.00 52.33 H new ATOM 0 HA HIS A 29 -6.732 -2.557 -14.648 1.00 43.42 H new ATOM 0 HB2 HIS A 29 -8.513 -1.465 -12.512 1.00 42.02 H new ATOM 0 HB3 HIS A 29 -8.713 -0.781 -14.113 1.00 42.02 H new ATOM 0 HD2 HIS A 29 -8.689 -4.469 -12.619 1.00 22.42 H new ATOM 0 HE1 HIS A 29 -11.398 -4.270 -15.877 1.00 74.32 H new ATOM 0 HE2 HIS A 29 -10.442 -5.764 -14.051 1.00 51.21 H new ATOM 466 N PHE A 30 -6.482 -0.123 -15.506 1.00 45.23 N ATOM 467 CA PHE A 30 -5.946 1.128 -16.032 1.00 23.51 C ATOM 468 C PHE A 30 -6.450 2.318 -15.222 1.00 54.54 C ATOM 469 O PHE A 30 -5.874 3.406 -15.269 1.00 61.33 O ATOM 470 CB PHE A 30 -6.334 1.295 -17.503 1.00 25.05 C ATOM 471 CG PHE A 30 -7.761 1.718 -17.702 1.00 2.23 C ATOM 472 CD1 PHE A 30 -8.790 0.795 -17.612 1.00 60.22 C ATOM 473 CD2 PHE A 30 -8.073 3.039 -17.979 1.00 13.31 C ATOM 474 CE1 PHE A 30 -10.105 1.181 -17.795 1.00 24.14 C ATOM 475 CE2 PHE A 30 -9.386 3.431 -18.162 1.00 1.33 C ATOM 476 CZ PHE A 30 -10.403 2.501 -18.071 1.00 23.13 C ATOM 0 H PHE A 30 -7.040 -0.656 -16.173 1.00 45.23 H new ATOM 0 HA PHE A 30 -4.860 1.091 -15.953 1.00 23.51 H new ATOM 0 HB2 PHE A 30 -5.677 2.034 -17.962 1.00 25.05 H new ATOM 0 HB3 PHE A 30 -6.167 0.352 -18.024 1.00 25.05 H new ATOM 0 HD1 PHE A 30 -8.562 -0.238 -17.396 1.00 60.22 H new ATOM 0 HD2 PHE A 30 -7.282 3.771 -18.053 1.00 13.31 H new ATOM 0 HE1 PHE A 30 -10.898 0.451 -17.722 1.00 24.14 H new ATOM 0 HE2 PHE A 30 -9.616 4.464 -18.376 1.00 1.33 H new ATOM 0 HZ PHE A 30 -11.429 2.805 -18.215 1.00 23.13 H new ATOM 486 N THR A 31 -7.532 2.106 -14.480 1.00 34.23 N ATOM 487 CA THR A 31 -8.117 3.160 -13.661 1.00 41.41 C ATOM 488 C THR A 31 -7.425 3.252 -12.306 1.00 45.21 C ATOM 489 O THR A 31 -7.811 4.051 -11.454 1.00 35.13 O ATOM 490 CB THR A 31 -9.624 2.930 -13.440 1.00 41.12 C ATOM 491 OG1 THR A 31 -9.913 1.528 -13.459 1.00 30.23 O ATOM 492 CG2 THR A 31 -10.442 3.636 -14.511 1.00 62.12 C ATOM 0 H THR A 31 -8.022 1.213 -14.429 1.00 34.23 H new ATOM 0 HA THR A 31 -7.975 4.095 -14.203 1.00 41.41 H new ATOM 0 HB THR A 31 -9.894 3.343 -12.468 1.00 41.12 H new ATOM 0 HG1 THR A 31 -9.995 1.223 -14.387 1.00 30.23 H new ATOM 0 HG21 THR A 31 -11.503 3.459 -14.334 1.00 62.12 H new ATOM 0 HG22 THR A 31 -10.242 4.707 -14.475 1.00 62.12 H new ATOM 0 HG23 THR A 31 -10.168 3.248 -15.492 1.00 62.12 H new ATOM 500 N ALA A 32 -6.398 2.430 -12.114 1.00 52.04 N ATOM 501 CA ALA A 32 -5.650 2.421 -10.863 1.00 60.15 C ATOM 502 C ALA A 32 -4.176 2.727 -11.103 1.00 45.04 C ATOM 503 O ALA A 32 -3.515 3.341 -10.265 1.00 12.20 O ATOM 504 CB ALA A 32 -5.805 1.078 -10.165 1.00 74.03 C ATOM 0 H ALA A 32 -6.065 1.762 -12.809 1.00 52.04 H new ATOM 0 HA ALA A 32 -6.056 3.202 -10.220 1.00 60.15 H new ATOM 0 HB1 ALA A 32 -5.241 1.086 -9.232 1.00 74.03 H new ATOM 0 HB2 ALA A 32 -6.859 0.899 -9.951 1.00 74.03 H new ATOM 0 HB3 ALA A 32 -5.426 0.286 -10.811 1.00 74.03 H new ATOM 510 N ILE A 33 -3.666 2.295 -12.252 1.00 24.23 N ATOM 511 CA ILE A 33 -2.269 2.524 -12.601 1.00 31.50 C ATOM 512 C ILE A 33 -1.904 3.998 -12.470 1.00 51.31 C ATOM 513 O ILE A 33 -2.583 4.866 -13.018 1.00 10.34 O ATOM 514 CB ILE A 33 -1.964 2.056 -14.036 1.00 41.24 C ATOM 515 CG1 ILE A 33 -2.072 0.533 -14.134 1.00 54.11 C ATOM 516 CG2 ILE A 33 -0.580 2.522 -14.462 1.00 42.53 C ATOM 517 CD1 ILE A 33 -2.571 0.048 -15.477 1.00 75.21 C ATOM 0 H ILE A 33 -4.199 1.785 -12.956 1.00 24.23 H new ATOM 0 HA ILE A 33 -1.669 1.941 -11.902 1.00 31.50 H new ATOM 0 HB ILE A 33 -2.699 2.497 -14.710 1.00 41.24 H new ATOM 0 HG12 ILE A 33 -1.093 0.094 -13.939 1.00 54.11 H new ATOM 0 HG13 ILE A 33 -2.744 0.174 -13.354 1.00 54.11 H new ATOM 0 HG21 ILE A 33 -0.379 2.183 -15.478 1.00 42.53 H new ATOM 0 HG22 ILE A 33 -0.536 3.611 -14.427 1.00 42.53 H new ATOM 0 HG23 ILE A 33 0.168 2.106 -13.787 1.00 42.53 H new ATOM 0 HD11 ILE A 33 -2.622 -1.041 -15.474 1.00 75.21 H new ATOM 0 HD12 ILE A 33 -3.563 0.458 -15.666 1.00 75.21 H new ATOM 0 HD13 ILE A 33 -1.887 0.377 -16.260 1.00 75.21 H new ATOM 529 N GLU A 34 -0.826 4.273 -11.742 1.00 53.31 N ATOM 530 CA GLU A 34 -0.371 5.644 -11.541 1.00 22.24 C ATOM 531 C GLU A 34 0.787 5.976 -12.478 1.00 33.30 C ATOM 532 O GLU A 34 1.954 5.815 -12.122 1.00 34.42 O ATOM 533 CB GLU A 34 0.059 5.853 -10.087 1.00 44.32 C ATOM 534 CG GLU A 34 -1.042 5.570 -9.080 1.00 21.44 C ATOM 535 CD GLU A 34 -1.560 6.828 -8.412 1.00 1.44 C ATOM 536 OE1 GLU A 34 -0.729 7.653 -7.976 1.00 51.11 O ATOM 537 OE2 GLU A 34 -2.795 6.989 -8.324 1.00 11.10 O ATOM 0 H GLU A 34 -0.252 3.566 -11.282 1.00 53.31 H new ATOM 0 HA GLU A 34 -1.202 6.313 -11.767 1.00 22.24 H new ATOM 0 HB2 GLU A 34 0.911 5.207 -9.872 1.00 44.32 H new ATOM 0 HB3 GLU A 34 0.399 6.881 -9.962 1.00 44.32 H new ATOM 0 HG2 GLU A 34 -1.867 5.064 -9.582 1.00 21.44 H new ATOM 0 HG3 GLU A 34 -0.665 4.887 -8.318 1.00 21.44 H new ATOM 544 N ALA A 35 0.454 6.440 -13.678 1.00 60.31 N ATOM 545 CA ALA A 35 1.464 6.796 -14.667 1.00 25.35 C ATOM 546 C ALA A 35 1.134 8.126 -15.334 1.00 44.42 C ATOM 547 O ALA A 35 0.019 8.634 -15.211 1.00 64.22 O ATOM 548 CB ALA A 35 1.592 5.696 -15.711 1.00 11.44 C ATOM 0 H ALA A 35 -0.508 6.578 -13.989 1.00 60.31 H new ATOM 0 HA ALA A 35 2.419 6.905 -14.152 1.00 25.35 H new ATOM 0 HB1 ALA A 35 2.350 5.976 -16.443 1.00 11.44 H new ATOM 0 HB2 ALA A 35 1.883 4.765 -15.225 1.00 11.44 H new ATOM 0 HB3 ALA A 35 0.635 5.559 -16.214 1.00 11.44 H new ATOM 554 N ASP A 36 2.110 8.687 -16.040 1.00 62.31 N ATOM 555 CA ASP A 36 1.923 9.959 -16.728 1.00 31.01 C ATOM 556 C ASP A 36 1.642 9.739 -18.211 1.00 61.20 C ATOM 557 O ASP A 36 2.507 9.963 -19.057 1.00 32.11 O ATOM 558 CB ASP A 36 3.159 10.843 -16.556 1.00 23.11 C ATOM 559 CG ASP A 36 3.052 11.761 -15.354 1.00 61.30 C ATOM 560 OD1 ASP A 36 2.176 11.518 -14.498 1.00 20.44 O ATOM 561 OD2 ASP A 36 3.845 12.722 -15.269 1.00 71.44 O ATOM 0 H ASP A 36 3.039 8.281 -16.151 1.00 62.31 H new ATOM 0 HA ASP A 36 1.063 10.460 -16.284 1.00 31.01 H new ATOM 0 HB2 ASP A 36 4.041 10.212 -16.450 1.00 23.11 H new ATOM 0 HB3 ASP A 36 3.302 11.442 -17.455 1.00 23.11 H new ATOM 566 N GLY A 37 0.426 9.297 -18.519 1.00 24.10 N ATOM 567 CA GLY A 37 0.054 9.052 -19.900 1.00 53.50 C ATOM 568 C GLY A 37 -0.406 7.627 -20.133 1.00 31.12 C ATOM 569 O GLY A 37 -0.799 6.933 -19.195 1.00 61.40 O ATOM 0 H GLY A 37 -0.307 9.104 -17.837 1.00 24.10 H new ATOM 0 HA2 GLY A 37 -0.743 9.739 -20.186 1.00 53.50 H new ATOM 0 HA3 GLY A 37 0.906 9.266 -20.546 1.00 53.50 H new ATOM 573 N PHE A 38 -0.359 7.189 -21.387 1.00 11.04 N ATOM 574 CA PHE A 38 -0.777 5.837 -21.741 1.00 3.45 C ATOM 575 C PHE A 38 0.425 4.900 -21.820 1.00 52.22 C ATOM 576 O PHE A 38 1.259 5.018 -22.718 1.00 31.01 O ATOM 577 CB PHE A 38 -1.522 5.845 -23.077 1.00 23.50 C ATOM 578 CG PHE A 38 -2.417 4.654 -23.271 1.00 25.22 C ATOM 579 CD1 PHE A 38 -3.410 4.360 -22.351 1.00 12.43 C ATOM 580 CD2 PHE A 38 -2.265 3.828 -24.373 1.00 45.42 C ATOM 581 CE1 PHE A 38 -4.234 3.265 -22.526 1.00 73.14 C ATOM 582 CE2 PHE A 38 -3.086 2.732 -24.554 1.00 70.34 C ATOM 583 CZ PHE A 38 -4.073 2.450 -23.630 1.00 41.31 C ATOM 0 H PHE A 38 -0.036 7.750 -22.175 1.00 11.04 H new ATOM 0 HA PHE A 38 -1.447 5.474 -20.962 1.00 3.45 H new ATOM 0 HB2 PHE A 38 -2.120 6.754 -23.145 1.00 23.50 H new ATOM 0 HB3 PHE A 38 -0.796 5.880 -23.889 1.00 23.50 H new ATOM 0 HD1 PHE A 38 -3.542 4.994 -21.487 1.00 12.43 H new ATOM 0 HD2 PHE A 38 -1.495 4.044 -25.099 1.00 45.42 H new ATOM 0 HE1 PHE A 38 -5.003 3.046 -21.800 1.00 73.14 H new ATOM 0 HE2 PHE A 38 -2.956 2.096 -25.417 1.00 70.34 H new ATOM 0 HZ PHE A 38 -4.717 1.595 -23.770 1.00 41.31 H new ATOM 593 N ARG A 39 0.506 3.970 -20.874 1.00 51.32 N ATOM 594 CA ARG A 39 1.606 3.014 -20.835 1.00 75.24 C ATOM 595 C ARG A 39 1.203 1.753 -20.076 1.00 71.01 C ATOM 596 O ARG A 39 1.024 1.779 -18.858 1.00 21.41 O ATOM 597 CB ARG A 39 2.836 3.645 -20.181 1.00 51.12 C ATOM 598 CG ARG A 39 4.139 3.317 -20.891 1.00 61.11 C ATOM 599 CD ARG A 39 4.489 1.843 -20.760 1.00 61.10 C ATOM 600 NE ARG A 39 4.988 1.515 -19.427 1.00 54.20 N ATOM 601 CZ ARG A 39 5.659 0.404 -19.146 1.00 71.21 C ATOM 602 NH1 ARG A 39 5.911 -0.481 -20.100 1.00 71.54 N ATOM 603 NH2 ARG A 39 6.080 0.177 -17.909 1.00 20.55 N ATOM 0 H ARG A 39 -0.177 3.858 -20.125 1.00 51.32 H new ATOM 0 HA ARG A 39 1.851 2.738 -21.861 1.00 75.24 H new ATOM 0 HB2 ARG A 39 2.708 4.727 -20.155 1.00 51.12 H new ATOM 0 HB3 ARG A 39 2.901 3.307 -19.147 1.00 51.12 H new ATOM 0 HG2 ARG A 39 4.056 3.580 -21.946 1.00 61.11 H new ATOM 0 HG3 ARG A 39 4.944 3.922 -20.474 1.00 61.11 H new ATOM 0 HD2 ARG A 39 3.607 1.240 -20.975 1.00 61.10 H new ATOM 0 HD3 ARG A 39 5.242 1.582 -21.503 1.00 61.10 H new ATOM 0 HE ARG A 39 4.811 2.176 -18.670 1.00 54.20 H new ATOM 0 HH11 ARG A 39 5.589 -0.309 -21.053 1.00 71.54 H new ATOM 0 HH12 ARG A 39 6.427 -1.334 -19.882 1.00 71.54 H new ATOM 0 HH21 ARG A 39 5.888 0.856 -17.172 1.00 20.55 H new ATOM 0 HH22 ARG A 39 6.595 -0.677 -17.694 1.00 20.55 H new ATOM 617 N THR A 40 1.061 0.650 -20.804 1.00 61.41 N ATOM 618 CA THR A 40 0.678 -0.620 -20.201 1.00 21.45 C ATOM 619 C THR A 40 1.873 -1.298 -19.540 1.00 64.14 C ATOM 620 O THR A 40 2.969 -0.738 -19.492 1.00 3.41 O ATOM 621 CB THR A 40 0.071 -1.578 -21.243 1.00 41.35 C ATOM 622 OG1 THR A 40 1.062 -1.940 -22.211 1.00 63.13 O ATOM 623 CG2 THR A 40 -1.116 -0.933 -21.943 1.00 32.50 C ATOM 0 H THR A 40 1.206 0.611 -21.813 1.00 61.41 H new ATOM 0 HA THR A 40 -0.074 -0.395 -19.444 1.00 21.45 H new ATOM 0 HB THR A 40 -0.274 -2.473 -20.725 1.00 41.35 H new ATOM 0 HG1 THR A 40 0.669 -2.551 -22.869 1.00 63.13 H new ATOM 0 HG21 THR A 40 -1.529 -1.628 -22.674 1.00 32.50 H new ATOM 0 HG22 THR A 40 -1.881 -0.684 -21.207 1.00 32.50 H new ATOM 0 HG23 THR A 40 -0.790 -0.024 -22.449 1.00 32.50 H new ATOM 631 N LEU A 41 1.657 -2.507 -19.034 1.00 13.34 N ATOM 632 CA LEU A 41 2.718 -3.262 -18.376 1.00 75.22 C ATOM 633 C LEU A 41 3.137 -4.460 -19.222 1.00 64.01 C ATOM 634 O LEU A 41 2.476 -4.803 -20.201 1.00 64.02 O ATOM 635 CB LEU A 41 2.255 -3.735 -16.997 1.00 13.51 C ATOM 636 CG LEU A 41 2.025 -2.640 -15.954 1.00 45.44 C ATOM 637 CD1 LEU A 41 3.204 -1.679 -15.921 1.00 61.12 C ATOM 638 CD2 LEU A 41 0.733 -1.891 -16.243 1.00 53.41 C ATOM 0 H LEU A 41 0.757 -2.986 -19.067 1.00 13.34 H new ATOM 0 HA LEU A 41 3.579 -2.604 -18.257 1.00 75.22 H new ATOM 0 HB2 LEU A 41 1.327 -4.293 -17.119 1.00 13.51 H new ATOM 0 HB3 LEU A 41 2.997 -4.431 -16.606 1.00 13.51 H new ATOM 0 HG LEU A 41 1.938 -3.110 -14.975 1.00 45.44 H new ATOM 0 HD11 LEU A 41 3.023 -0.907 -15.173 1.00 61.12 H new ATOM 0 HD12 LEU A 41 4.112 -2.226 -15.666 1.00 61.12 H new ATOM 0 HD13 LEU A 41 3.323 -1.215 -16.900 1.00 61.12 H new ATOM 0 HD21 LEU A 41 0.586 -1.116 -15.491 1.00 53.41 H new ATOM 0 HD22 LEU A 41 0.791 -1.432 -17.230 1.00 53.41 H new ATOM 0 HD23 LEU A 41 -0.105 -2.587 -16.215 1.00 53.41 H new ATOM 650 N ASN A 42 4.240 -5.094 -18.835 1.00 50.44 N ATOM 651 CA ASN A 42 4.747 -6.255 -19.557 1.00 43.34 C ATOM 652 C ASN A 42 4.926 -7.444 -18.618 1.00 44.32 C ATOM 653 O ASN A 42 5.553 -7.326 -17.566 1.00 24.40 O ATOM 654 CB ASN A 42 6.078 -5.919 -20.233 1.00 63.44 C ATOM 655 CG ASN A 42 6.082 -4.532 -20.846 1.00 62.33 C ATOM 656 OD1 ASN A 42 6.867 -3.670 -20.452 1.00 41.43 O ATOM 657 ND2 ASN A 42 5.202 -4.312 -21.816 1.00 0.31 N ATOM 0 H ASN A 42 4.799 -4.823 -18.026 1.00 50.44 H new ATOM 0 HA ASN A 42 4.017 -6.525 -20.320 1.00 43.34 H new ATOM 0 HB2 ASN A 42 6.883 -5.992 -19.501 1.00 63.44 H new ATOM 0 HB3 ASN A 42 6.285 -6.656 -21.009 1.00 63.44 H new ATOM 0 HD21 ASN A 42 5.158 -3.398 -22.267 1.00 0.31 H new ATOM 0 HD22 ASN A 42 4.570 -5.057 -22.110 1.00 0.31 H new ATOM 664 N GLU A 43 4.372 -8.587 -19.008 1.00 34.34 N ATOM 665 CA GLU A 43 4.470 -9.797 -18.200 1.00 23.31 C ATOM 666 C GLU A 43 5.924 -10.098 -17.845 1.00 52.41 C ATOM 667 O GLU A 43 6.801 -10.082 -18.708 1.00 12.12 O ATOM 668 CB GLU A 43 3.860 -10.986 -18.945 1.00 51.04 C ATOM 669 CG GLU A 43 3.972 -12.300 -18.191 1.00 61.21 C ATOM 670 CD GLU A 43 3.647 -13.500 -19.059 1.00 32.43 C ATOM 671 OE1 GLU A 43 2.881 -13.338 -20.032 1.00 42.01 O ATOM 672 OE2 GLU A 43 4.157 -14.602 -18.765 1.00 10.52 O ATOM 0 H GLU A 43 3.851 -8.701 -19.878 1.00 34.34 H new ATOM 0 HA GLU A 43 3.914 -9.632 -17.277 1.00 23.31 H new ATOM 0 HB2 GLU A 43 2.808 -10.779 -19.143 1.00 51.04 H new ATOM 0 HB3 GLU A 43 4.352 -11.089 -19.912 1.00 51.04 H new ATOM 0 HG2 GLU A 43 4.983 -12.404 -17.798 1.00 61.21 H new ATOM 0 HG3 GLU A 43 3.297 -12.282 -17.335 1.00 61.21 H new ATOM 679 N GLY A 44 6.171 -10.370 -16.567 1.00 71.44 N ATOM 680 CA GLY A 44 7.519 -10.670 -16.120 1.00 14.41 C ATOM 681 C GLY A 44 8.216 -9.459 -15.531 1.00 61.42 C ATOM 682 O GLY A 44 9.266 -9.586 -14.903 1.00 3.25 O ATOM 0 H GLY A 44 5.462 -10.388 -15.834 1.00 71.44 H new ATOM 0 HA2 GLY A 44 7.483 -11.464 -15.374 1.00 14.41 H new ATOM 0 HA3 GLY A 44 8.102 -11.048 -16.960 1.00 14.41 H new ATOM 686 N GLU A 45 7.632 -8.283 -15.737 1.00 32.12 N ATOM 687 CA GLU A 45 8.206 -7.045 -15.223 1.00 64.33 C ATOM 688 C GLU A 45 7.728 -6.773 -13.800 1.00 4.11 C ATOM 689 O GLU A 45 6.715 -7.316 -13.359 1.00 13.41 O ATOM 690 CB GLU A 45 7.837 -5.870 -16.131 1.00 35.22 C ATOM 691 CG GLU A 45 8.572 -4.585 -15.792 1.00 43.44 C ATOM 692 CD GLU A 45 8.910 -3.764 -17.022 1.00 71.54 C ATOM 693 OE1 GLU A 45 8.078 -2.923 -17.422 1.00 23.13 O ATOM 694 OE2 GLU A 45 10.007 -3.965 -17.585 1.00 53.43 O ATOM 0 H GLU A 45 6.762 -8.161 -16.256 1.00 32.12 H new ATOM 0 HA GLU A 45 9.290 -7.156 -15.208 1.00 64.33 H new ATOM 0 HB2 GLU A 45 8.052 -6.139 -17.165 1.00 35.22 H new ATOM 0 HB3 GLU A 45 6.764 -5.693 -16.064 1.00 35.22 H new ATOM 0 HG2 GLU A 45 7.959 -3.987 -15.118 1.00 43.44 H new ATOM 0 HG3 GLU A 45 9.491 -4.827 -15.257 1.00 43.44 H new ATOM 701 N HIS A 46 8.466 -5.929 -13.085 1.00 41.15 N ATOM 702 CA HIS A 46 8.118 -5.584 -11.712 1.00 3.24 C ATOM 703 C HIS A 46 7.278 -4.311 -11.667 1.00 70.12 C ATOM 704 O HIS A 46 7.527 -3.364 -12.413 1.00 61.13 O ATOM 705 CB HIS A 46 9.384 -5.403 -10.873 1.00 12.21 C ATOM 706 CG HIS A 46 10.538 -6.232 -11.344 1.00 64.23 C ATOM 707 ND1 HIS A 46 10.703 -7.557 -11.001 1.00 20.44 N ATOM 708 CD2 HIS A 46 11.588 -5.918 -12.139 1.00 3.13 C ATOM 709 CE1 HIS A 46 11.805 -8.022 -11.562 1.00 1.12 C ATOM 710 NE2 HIS A 46 12.361 -7.047 -12.258 1.00 52.13 N ATOM 0 H HIS A 46 9.308 -5.472 -13.434 1.00 41.15 H new ATOM 0 HA HIS A 46 7.529 -6.402 -11.297 1.00 3.24 H new ATOM 0 HB2 HIS A 46 9.672 -4.352 -10.888 1.00 12.21 H new ATOM 0 HB3 HIS A 46 9.163 -5.658 -9.837 1.00 12.21 H new ATOM 0 HD2 HIS A 46 11.782 -4.958 -12.595 1.00 3.13 H new ATOM 0 HE1 HIS A 46 12.186 -9.028 -11.468 1.00 1.12 H new ATOM 0 HE2 HIS A 46 13.224 -7.120 -12.796 1.00 52.13 H new ATOM 718 N VAL A 47 6.281 -4.296 -10.788 1.00 71.32 N ATOM 719 CA VAL A 47 5.404 -3.140 -10.646 1.00 71.22 C ATOM 720 C VAL A 47 4.769 -3.099 -9.261 1.00 75.20 C ATOM 721 O VAL A 47 4.397 -4.133 -8.708 1.00 35.43 O ATOM 722 CB VAL A 47 4.290 -3.147 -11.710 1.00 0.20 C ATOM 723 CG1 VAL A 47 4.885 -3.058 -13.107 1.00 1.00 C ATOM 724 CG2 VAL A 47 3.425 -4.390 -11.568 1.00 25.32 C ATOM 0 H VAL A 47 6.061 -5.072 -10.163 1.00 71.32 H new ATOM 0 HA VAL A 47 6.023 -2.254 -10.785 1.00 71.22 H new ATOM 0 HB VAL A 47 3.658 -2.273 -11.554 1.00 0.20 H new ATOM 0 HG11 VAL A 47 4.083 -3.064 -13.845 1.00 1.00 H new ATOM 0 HG12 VAL A 47 5.457 -2.135 -13.201 1.00 1.00 H new ATOM 0 HG13 VAL A 47 5.542 -3.911 -13.278 1.00 1.00 H new ATOM 0 HG21 VAL A 47 2.643 -4.378 -12.328 1.00 25.32 H new ATOM 0 HG22 VAL A 47 4.042 -5.279 -11.696 1.00 25.32 H new ATOM 0 HG23 VAL A 47 2.969 -4.405 -10.578 1.00 25.32 H new ATOM 734 N GLU A 48 4.647 -1.897 -8.707 1.00 2.11 N ATOM 735 CA GLU A 48 4.057 -1.722 -7.385 1.00 54.22 C ATOM 736 C GLU A 48 2.538 -1.602 -7.479 1.00 62.24 C ATOM 737 O GLU A 48 1.997 -1.223 -8.518 1.00 44.23 O ATOM 738 CB GLU A 48 4.636 -0.480 -6.704 1.00 33.22 C ATOM 739 CG GLU A 48 3.623 0.284 -5.868 1.00 33.53 C ATOM 740 CD GLU A 48 4.233 1.476 -5.158 1.00 11.52 C ATOM 741 OE1 GLU A 48 5.473 1.508 -5.011 1.00 52.10 O ATOM 742 OE2 GLU A 48 3.471 2.378 -4.749 1.00 64.40 O ATOM 0 H GLU A 48 4.949 -1.031 -9.153 1.00 2.11 H new ATOM 0 HA GLU A 48 4.299 -2.601 -6.788 1.00 54.22 H new ATOM 0 HB2 GLU A 48 5.468 -0.780 -6.067 1.00 33.22 H new ATOM 0 HB3 GLU A 48 5.042 0.186 -7.466 1.00 33.22 H new ATOM 0 HG2 GLU A 48 2.811 0.625 -6.510 1.00 33.53 H new ATOM 0 HG3 GLU A 48 3.185 -0.389 -5.130 1.00 33.53 H new ATOM 749 N PHE A 49 1.856 -1.929 -6.387 1.00 20.22 N ATOM 750 CA PHE A 49 0.400 -1.860 -6.346 1.00 30.35 C ATOM 751 C PHE A 49 -0.097 -1.722 -4.910 1.00 15.14 C ATOM 752 O PHE A 49 0.341 -2.447 -4.018 1.00 22.32 O ATOM 753 CB PHE A 49 -0.209 -3.107 -6.990 1.00 72.03 C ATOM 754 CG PHE A 49 0.082 -4.374 -6.238 1.00 71.01 C ATOM 755 CD1 PHE A 49 1.294 -5.026 -6.396 1.00 21.21 C ATOM 756 CD2 PHE A 49 -0.857 -4.913 -5.373 1.00 71.24 C ATOM 757 CE1 PHE A 49 1.565 -6.192 -5.705 1.00 24.11 C ATOM 758 CE2 PHE A 49 -0.591 -6.079 -4.679 1.00 53.55 C ATOM 759 CZ PHE A 49 0.621 -6.719 -4.846 1.00 72.43 C ATOM 0 H PHE A 49 2.288 -2.244 -5.518 1.00 20.22 H new ATOM 0 HA PHE A 49 0.087 -0.980 -6.907 1.00 30.35 H new ATOM 0 HB2 PHE A 49 -1.289 -2.978 -7.063 1.00 72.03 H new ATOM 0 HB3 PHE A 49 0.170 -3.203 -8.007 1.00 72.03 H new ATOM 0 HD1 PHE A 49 2.036 -4.619 -7.067 1.00 21.21 H new ATOM 0 HD2 PHE A 49 -1.807 -4.417 -5.239 1.00 71.24 H new ATOM 0 HE1 PHE A 49 2.514 -6.690 -5.837 1.00 24.11 H new ATOM 0 HE2 PHE A 49 -1.331 -6.489 -4.007 1.00 53.55 H new ATOM 0 HZ PHE A 49 0.830 -7.630 -4.306 1.00 72.43 H new ATOM 769 N GLU A 50 -1.016 -0.785 -4.695 1.00 45.44 N ATOM 770 CA GLU A 50 -1.571 -0.550 -3.368 1.00 35.11 C ATOM 771 C GLU A 50 -2.938 -1.214 -3.225 1.00 52.44 C ATOM 772 O GLU A 50 -3.951 -0.679 -3.678 1.00 3.25 O ATOM 773 CB GLU A 50 -1.691 0.951 -3.099 1.00 3.44 C ATOM 774 CG GLU A 50 -0.816 1.436 -1.955 1.00 5.10 C ATOM 775 CD GLU A 50 -1.500 2.485 -1.100 1.00 73.13 C ATOM 776 OE1 GLU A 50 -2.603 2.205 -0.587 1.00 34.23 O ATOM 777 OE2 GLU A 50 -0.932 3.586 -0.945 1.00 50.21 O ATOM 0 H GLU A 50 -1.391 -0.177 -5.423 1.00 45.44 H new ATOM 0 HA GLU A 50 -0.894 -0.990 -2.636 1.00 35.11 H new ATOM 0 HB2 GLU A 50 -1.426 1.496 -4.005 1.00 3.44 H new ATOM 0 HB3 GLU A 50 -2.731 1.190 -2.876 1.00 3.44 H new ATOM 0 HG2 GLU A 50 -0.539 0.587 -1.330 1.00 5.10 H new ATOM 0 HG3 GLU A 50 0.108 1.849 -2.359 1.00 5.10 H new ATOM 784 N VAL A 51 -2.959 -2.383 -2.594 1.00 22.20 N ATOM 785 CA VAL A 51 -4.200 -3.121 -2.391 1.00 11.42 C ATOM 786 C VAL A 51 -5.189 -2.313 -1.558 1.00 11.01 C ATOM 787 O VAL A 51 -4.860 -1.844 -0.469 1.00 41.31 O ATOM 788 CB VAL A 51 -3.943 -4.471 -1.696 1.00 73.11 C ATOM 789 CG1 VAL A 51 -3.152 -5.398 -2.606 1.00 60.02 C ATOM 790 CG2 VAL A 51 -3.219 -4.261 -0.375 1.00 43.02 C ATOM 0 H VAL A 51 -2.130 -2.840 -2.214 1.00 22.20 H new ATOM 0 HA VAL A 51 -4.625 -3.304 -3.378 1.00 11.42 H new ATOM 0 HB VAL A 51 -4.904 -4.941 -1.486 1.00 73.11 H new ATOM 0 HG11 VAL A 51 -2.980 -6.347 -2.098 1.00 60.02 H new ATOM 0 HG12 VAL A 51 -3.714 -5.574 -3.523 1.00 60.02 H new ATOM 0 HG13 VAL A 51 -2.194 -4.938 -2.850 1.00 60.02 H new ATOM 0 HG21 VAL A 51 -3.046 -5.226 0.102 1.00 43.02 H new ATOM 0 HG22 VAL A 51 -2.263 -3.770 -0.558 1.00 43.02 H new ATOM 0 HG23 VAL A 51 -3.828 -3.637 0.279 1.00 43.02 H new ATOM 800 N GLU A 52 -6.402 -2.156 -2.078 1.00 14.32 N ATOM 801 CA GLU A 52 -7.440 -1.404 -1.381 1.00 43.02 C ATOM 802 C GLU A 52 -8.639 -2.294 -1.069 1.00 14.34 C ATOM 803 O GLU A 52 -8.855 -3.331 -1.696 1.00 32.03 O ATOM 804 CB GLU A 52 -7.885 -0.206 -2.223 1.00 23.13 C ATOM 805 CG GLU A 52 -7.458 1.134 -1.648 1.00 21.05 C ATOM 806 CD GLU A 52 -8.389 2.263 -2.045 1.00 61.24 C ATOM 807 OE1 GLU A 52 -9.313 2.016 -2.848 1.00 31.52 O ATOM 808 OE2 GLU A 52 -8.193 3.394 -1.553 1.00 61.14 O ATOM 0 H GLU A 52 -6.690 -2.539 -2.978 1.00 14.32 H new ATOM 0 HA GLU A 52 -7.023 -1.043 -0.441 1.00 43.02 H new ATOM 0 HB2 GLU A 52 -7.476 -0.307 -3.228 1.00 23.13 H new ATOM 0 HB3 GLU A 52 -8.971 -0.222 -2.317 1.00 23.13 H new ATOM 0 HG2 GLU A 52 -7.422 1.064 -0.561 1.00 21.05 H new ATOM 0 HG3 GLU A 52 -6.448 1.365 -1.986 1.00 21.05 H new ATOM 815 N PRO A 53 -9.439 -1.880 -0.075 1.00 15.22 N ATOM 816 CA PRO A 53 -10.631 -2.624 0.344 1.00 1.15 C ATOM 817 C PRO A 53 -11.741 -2.577 -0.700 1.00 62.31 C ATOM 818 O PRO A 53 -11.803 -3.422 -1.592 1.00 44.04 O ATOM 819 CB PRO A 53 -11.068 -1.903 1.622 1.00 52.31 C ATOM 820 CG PRO A 53 -10.532 -0.520 1.479 1.00 23.31 C ATOM 821 CD PRO A 53 -9.243 -0.653 0.716 1.00 61.11 C ATOM 0 HA PRO A 53 -10.420 -3.684 0.487 1.00 1.15 H new ATOM 0 HB2 PRO A 53 -12.153 -1.898 1.723 1.00 52.31 H new ATOM 0 HB3 PRO A 53 -10.668 -2.393 2.510 1.00 52.31 H new ATOM 0 HG2 PRO A 53 -11.237 0.119 0.946 1.00 23.31 H new ATOM 0 HG3 PRO A 53 -10.363 -0.064 2.455 1.00 23.31 H new ATOM 0 HD2 PRO A 53 -9.063 0.212 0.078 1.00 61.11 H new ATOM 0 HD3 PRO A 53 -8.387 -0.739 1.385 1.00 61.11 H new ATOM 829 N GLY A 54 -12.616 -1.584 -0.583 1.00 14.51 N ATOM 830 CA GLY A 54 -13.712 -1.446 -1.524 1.00 52.53 C ATOM 831 C GLY A 54 -13.287 -0.774 -2.815 1.00 63.41 C ATOM 832 O GLY A 54 -13.778 0.302 -3.154 1.00 52.30 O ATOM 0 H GLY A 54 -12.586 -0.872 0.147 1.00 14.51 H new ATOM 0 HA2 GLY A 54 -14.120 -2.431 -1.748 1.00 52.53 H new ATOM 0 HA3 GLY A 54 -14.512 -0.867 -1.063 1.00 52.53 H new ATOM 836 N ARG A 55 -12.369 -1.410 -3.536 1.00 72.23 N ATOM 837 CA ARG A 55 -11.875 -0.866 -4.796 1.00 33.25 C ATOM 838 C ARG A 55 -11.885 -1.931 -5.889 1.00 11.23 C ATOM 839 O ARG A 55 -12.229 -1.653 -7.037 1.00 32.23 O ATOM 840 CB ARG A 55 -10.459 -0.316 -4.617 1.00 52.24 C ATOM 841 CG ARG A 55 -10.082 0.739 -5.644 1.00 52.53 C ATOM 842 CD ARG A 55 -10.776 2.063 -5.363 1.00 42.22 C ATOM 843 NE ARG A 55 -11.786 2.376 -6.370 1.00 53.41 N ATOM 844 CZ ARG A 55 -11.497 2.699 -7.626 1.00 32.41 C ATOM 845 NH1 ARG A 55 -10.234 2.749 -8.027 1.00 14.41 N ATOM 846 NH2 ARG A 55 -12.472 2.970 -8.484 1.00 14.33 N ATOM 0 H ARG A 55 -11.952 -2.302 -3.269 1.00 72.23 H new ATOM 0 HA ARG A 55 -12.537 -0.055 -5.098 1.00 33.25 H new ATOM 0 HB2 ARG A 55 -10.368 0.112 -3.619 1.00 52.24 H new ATOM 0 HB3 ARG A 55 -9.748 -1.140 -4.677 1.00 52.24 H new ATOM 0 HG2 ARG A 55 -9.002 0.885 -5.638 1.00 52.53 H new ATOM 0 HG3 ARG A 55 -10.351 0.390 -6.641 1.00 52.53 H new ATOM 0 HD2 ARG A 55 -11.244 2.025 -4.379 1.00 42.22 H new ATOM 0 HD3 ARG A 55 -10.035 2.862 -5.333 1.00 42.22 H new ATOM 0 HE ARG A 55 -12.767 2.345 -6.094 1.00 53.41 H new ATOM 0 HH11 ARG A 55 -9.482 2.539 -7.371 1.00 14.41 H new ATOM 0 HH12 ARG A 55 -10.015 2.997 -8.992 1.00 14.41 H new ATOM 0 HH21 ARG A 55 -13.445 2.931 -8.180 1.00 14.33 H new ATOM 0 HH22 ARG A 55 -12.249 3.218 -9.448 1.00 14.33 H new ATOM 860 N GLY A 56 -11.504 -3.151 -5.523 1.00 20.01 N ATOM 861 CA GLY A 56 -11.475 -4.238 -6.484 1.00 34.44 C ATOM 862 C GLY A 56 -12.589 -5.242 -6.257 1.00 41.40 C ATOM 863 O GLY A 56 -13.012 -5.465 -5.124 1.00 3.25 O ATOM 0 H GLY A 56 -11.215 -3.406 -4.579 1.00 20.01 H new ATOM 0 HA2 GLY A 56 -11.557 -3.830 -7.492 1.00 34.44 H new ATOM 0 HA3 GLY A 56 -10.513 -4.747 -6.423 1.00 34.44 H new ATOM 867 N GLY A 57 -13.067 -5.848 -7.340 1.00 1.33 N ATOM 868 CA GLY A 57 -14.135 -6.824 -7.233 1.00 32.04 C ATOM 869 C GLY A 57 -13.861 -7.869 -6.169 1.00 71.14 C ATOM 870 O GLY A 57 -14.671 -8.073 -5.264 1.00 44.53 O ATOM 0 H GLY A 57 -12.733 -5.680 -8.289 1.00 1.33 H new ATOM 0 HA2 GLY A 57 -15.069 -6.312 -7.003 1.00 32.04 H new ATOM 0 HA3 GLY A 57 -14.270 -7.317 -8.196 1.00 32.04 H new ATOM 874 N LYS A 58 -12.717 -8.536 -6.278 1.00 41.35 N ATOM 875 CA LYS A 58 -12.337 -9.566 -5.320 1.00 20.43 C ATOM 876 C LYS A 58 -11.963 -8.948 -3.976 1.00 71.51 C ATOM 877 O LYS A 58 -11.834 -9.650 -2.974 1.00 4.02 O ATOM 878 CB LYS A 58 -11.163 -10.387 -5.860 1.00 15.11 C ATOM 879 CG LYS A 58 -11.571 -11.428 -6.888 1.00 54.20 C ATOM 880 CD LYS A 58 -11.993 -12.729 -6.227 1.00 20.31 C ATOM 881 CE LYS A 58 -13.507 -12.874 -6.196 1.00 42.00 C ATOM 882 NZ LYS A 58 -13.931 -14.296 -6.319 1.00 63.23 N ATOM 0 H LYS A 58 -12.036 -8.381 -7.022 1.00 41.35 H new ATOM 0 HA LYS A 58 -13.194 -10.223 -5.172 1.00 20.43 H new ATOM 0 HB2 LYS A 58 -10.434 -9.712 -6.308 1.00 15.11 H new ATOM 0 HB3 LYS A 58 -10.666 -10.886 -5.028 1.00 15.11 H new ATOM 0 HG2 LYS A 58 -12.393 -11.042 -7.491 1.00 54.20 H new ATOM 0 HG3 LYS A 58 -10.739 -11.617 -7.566 1.00 54.20 H new ATOM 0 HD2 LYS A 58 -11.557 -13.570 -6.766 1.00 20.31 H new ATOM 0 HD3 LYS A 58 -11.602 -12.765 -5.210 1.00 20.31 H new ATOM 0 HE2 LYS A 58 -13.892 -12.459 -5.264 1.00 42.00 H new ATOM 0 HE3 LYS A 58 -13.944 -12.293 -7.008 1.00 42.00 H new ATOM 0 HZ1 LYS A 58 -14.969 -14.352 -6.294 1.00 63.23 H new ATOM 0 HZ2 LYS A 58 -13.585 -14.685 -7.219 1.00 63.23 H new ATOM 0 HZ3 LYS A 58 -13.535 -14.846 -5.530 1.00 63.23 H new ATOM 896 N GLY A 59 -11.792 -7.630 -3.963 1.00 52.11 N ATOM 897 CA GLY A 59 -11.436 -6.940 -2.737 1.00 34.11 C ATOM 898 C GLY A 59 -10.173 -6.115 -2.882 1.00 11.15 C ATOM 899 O GLY A 59 -10.218 -4.895 -3.043 1.00 62.22 O ATOM 0 H GLY A 59 -11.894 -7.027 -4.780 1.00 52.11 H new ATOM 0 HA2 GLY A 59 -12.258 -6.290 -2.437 1.00 34.11 H new ATOM 0 HA3 GLY A 59 -11.300 -7.670 -1.939 1.00 34.11 H new ATOM 903 N PRO A 60 -9.013 -6.786 -2.822 1.00 12.02 N ATOM 904 CA PRO A 60 -7.710 -6.126 -2.944 1.00 22.41 C ATOM 905 C PRO A 60 -7.451 -5.610 -4.355 1.00 74.33 C ATOM 906 O PRO A 60 -7.291 -6.393 -5.292 1.00 15.43 O ATOM 907 CB PRO A 60 -6.716 -7.236 -2.590 1.00 13.31 C ATOM 908 CG PRO A 60 -7.431 -8.502 -2.913 1.00 74.03 C ATOM 909 CD PRO A 60 -8.885 -8.240 -2.631 1.00 20.51 C ATOM 0 HA PRO A 60 -7.636 -5.248 -2.303 1.00 22.41 H new ATOM 0 HB2 PRO A 60 -5.796 -7.143 -3.167 1.00 13.31 H new ATOM 0 HB3 PRO A 60 -6.437 -7.197 -1.537 1.00 13.31 H new ATOM 0 HG2 PRO A 60 -7.280 -8.780 -3.956 1.00 74.03 H new ATOM 0 HG3 PRO A 60 -7.058 -9.327 -2.306 1.00 74.03 H new ATOM 0 HD2 PRO A 60 -9.532 -8.793 -3.312 1.00 20.51 H new ATOM 0 HD3 PRO A 60 -9.158 -8.538 -1.619 1.00 20.51 H new ATOM 917 N GLN A 61 -7.411 -4.290 -4.499 1.00 54.45 N ATOM 918 CA GLN A 61 -7.172 -3.670 -5.798 1.00 33.23 C ATOM 919 C GLN A 61 -5.854 -2.904 -5.801 1.00 25.22 C ATOM 920 O GLN A 61 -5.277 -2.637 -4.747 1.00 33.02 O ATOM 921 CB GLN A 61 -8.323 -2.729 -6.157 1.00 13.00 C ATOM 922 CG GLN A 61 -8.654 -2.710 -7.641 1.00 25.52 C ATOM 923 CD GLN A 61 -9.121 -1.350 -8.118 1.00 11.43 C ATOM 924 OE1 GLN A 61 -8.505 -0.327 -7.815 1.00 21.41 O ATOM 925 NE2 GLN A 61 -10.216 -1.329 -8.868 1.00 72.24 N ATOM 0 H GLN A 61 -7.541 -3.629 -3.733 1.00 54.45 H new ATOM 0 HA GLN A 61 -7.113 -4.462 -6.545 1.00 33.23 H new ATOM 0 HB2 GLN A 61 -9.211 -3.026 -5.599 1.00 13.00 H new ATOM 0 HB3 GLN A 61 -8.068 -1.719 -5.837 1.00 13.00 H new ATOM 0 HG2 GLN A 61 -7.773 -3.007 -8.210 1.00 25.52 H new ATOM 0 HG3 GLN A 61 -9.429 -3.448 -7.846 1.00 25.52 H new ATOM 0 HE21 GLN A 61 -10.695 -2.200 -9.095 1.00 72.24 H new ATOM 0 HE22 GLN A 61 -10.578 -0.442 -9.217 1.00 72.24 H new ATOM 934 N ALA A 62 -5.381 -2.554 -6.993 1.00 31.24 N ATOM 935 CA ALA A 62 -4.131 -1.818 -7.133 1.00 11.55 C ATOM 936 C ALA A 62 -4.371 -0.313 -7.073 1.00 51.21 C ATOM 937 O ALA A 62 -4.015 0.420 -7.996 1.00 53.31 O ATOM 938 CB ALA A 62 -3.440 -2.193 -8.435 1.00 54.33 C ATOM 0 H ALA A 62 -5.845 -2.769 -7.876 1.00 31.24 H new ATOM 0 HA ALA A 62 -3.483 -2.090 -6.300 1.00 11.55 H new ATOM 0 HB1 ALA A 62 -2.508 -1.635 -8.526 1.00 54.33 H new ATOM 0 HB2 ALA A 62 -3.225 -3.262 -8.438 1.00 54.33 H new ATOM 0 HB3 ALA A 62 -4.091 -1.951 -9.275 1.00 54.33 H new ATOM 944 N LYS A 63 -4.977 0.142 -5.982 1.00 15.31 N ATOM 945 CA LYS A 63 -5.265 1.560 -5.801 1.00 12.21 C ATOM 946 C LYS A 63 -4.115 2.419 -6.318 1.00 33.05 C ATOM 947 O LYS A 63 -4.329 3.387 -7.048 1.00 1.14 O ATOM 948 CB LYS A 63 -5.520 1.865 -4.323 1.00 44.40 C ATOM 949 CG LYS A 63 -5.809 3.330 -4.045 1.00 45.55 C ATOM 950 CD LYS A 63 -7.196 3.725 -4.523 1.00 1.41 C ATOM 951 CE LYS A 63 -7.186 4.134 -5.988 1.00 61.31 C ATOM 952 NZ LYS A 63 -8.148 5.237 -6.263 1.00 64.10 N ATOM 0 H LYS A 63 -5.279 -0.451 -5.209 1.00 15.31 H new ATOM 0 HA LYS A 63 -6.160 1.800 -6.375 1.00 12.21 H new ATOM 0 HB2 LYS A 63 -6.362 1.265 -3.977 1.00 44.40 H new ATOM 0 HB3 LYS A 63 -4.650 1.558 -3.742 1.00 44.40 H new ATOM 0 HG2 LYS A 63 -5.723 3.522 -2.975 1.00 45.55 H new ATOM 0 HG3 LYS A 63 -5.062 3.950 -4.541 1.00 45.55 H new ATOM 0 HD2 LYS A 63 -7.882 2.890 -4.382 1.00 1.41 H new ATOM 0 HD3 LYS A 63 -7.570 4.550 -3.916 1.00 1.41 H new ATOM 0 HE2 LYS A 63 -6.182 4.450 -6.270 1.00 61.31 H new ATOM 0 HE3 LYS A 63 -7.435 3.272 -6.607 1.00 61.31 H new ATOM 0 HZ1 LYS A 63 -8.111 5.487 -7.272 1.00 64.10 H new ATOM 0 HZ2 LYS A 63 -9.110 4.928 -6.018 1.00 64.10 H new ATOM 0 HZ3 LYS A 63 -7.896 6.068 -5.691 1.00 64.10 H new ATOM 966 N LYS A 64 -2.895 2.058 -5.935 1.00 71.13 N ATOM 967 CA LYS A 64 -1.710 2.793 -6.362 1.00 13.03 C ATOM 968 C LYS A 64 -0.685 1.855 -6.991 1.00 52.01 C ATOM 969 O LYS A 64 0.055 1.167 -6.288 1.00 60.44 O ATOM 970 CB LYS A 64 -1.084 3.526 -5.173 1.00 74.10 C ATOM 971 CG LYS A 64 -0.817 4.997 -5.438 1.00 41.41 C ATOM 972 CD LYS A 64 -2.110 5.788 -5.548 1.00 3.33 C ATOM 973 CE LYS A 64 -2.870 5.799 -4.230 1.00 61.14 C ATOM 974 NZ LYS A 64 -4.031 6.731 -4.267 1.00 44.23 N ATOM 0 H LYS A 64 -2.701 1.261 -5.329 1.00 71.13 H new ATOM 0 HA LYS A 64 -2.016 3.523 -7.111 1.00 13.03 H new ATOM 0 HB2 LYS A 64 -1.746 3.435 -4.312 1.00 74.10 H new ATOM 0 HB3 LYS A 64 -0.146 3.037 -4.908 1.00 74.10 H new ATOM 0 HG2 LYS A 64 -0.206 5.407 -4.634 1.00 41.41 H new ATOM 0 HG3 LYS A 64 -0.245 5.104 -6.360 1.00 41.41 H new ATOM 0 HD2 LYS A 64 -1.887 6.812 -5.849 1.00 3.33 H new ATOM 0 HD3 LYS A 64 -2.737 5.356 -6.327 1.00 3.33 H new ATOM 0 HE2 LYS A 64 -3.220 4.792 -4.004 1.00 61.14 H new ATOM 0 HE3 LYS A 64 -2.196 6.090 -3.424 1.00 61.14 H new ATOM 0 HZ1 LYS A 64 -4.523 6.710 -3.351 1.00 44.23 H new ATOM 0 HZ2 LYS A 64 -3.695 7.697 -4.457 1.00 44.23 H new ATOM 0 HZ3 LYS A 64 -4.687 6.438 -5.019 1.00 44.23 H new ATOM 988 N VAL A 65 -0.646 1.834 -8.320 1.00 33.13 N ATOM 989 CA VAL A 65 0.290 0.982 -9.044 1.00 0.44 C ATOM 990 C VAL A 65 1.433 1.800 -9.634 1.00 2.32 C ATOM 991 O VAL A 65 1.236 2.931 -10.078 1.00 51.41 O ATOM 992 CB VAL A 65 -0.413 0.211 -10.176 1.00 52.34 C ATOM 993 CG1 VAL A 65 0.326 0.403 -11.492 1.00 53.41 C ATOM 994 CG2 VAL A 65 -0.522 -1.265 -9.827 1.00 72.34 C ATOM 0 H VAL A 65 -1.252 2.397 -8.917 1.00 33.13 H new ATOM 0 HA VAL A 65 0.691 0.269 -8.324 1.00 0.44 H new ATOM 0 HB VAL A 65 -1.421 0.609 -10.292 1.00 52.34 H new ATOM 0 HG11 VAL A 65 -0.185 -0.149 -12.280 1.00 53.41 H new ATOM 0 HG12 VAL A 65 0.347 1.463 -11.746 1.00 53.41 H new ATOM 0 HG13 VAL A 65 1.347 0.033 -11.393 1.00 53.41 H new ATOM 0 HG21 VAL A 65 -1.021 -1.795 -10.638 1.00 72.34 H new ATOM 0 HG22 VAL A 65 0.476 -1.679 -9.683 1.00 72.34 H new ATOM 0 HG23 VAL A 65 -1.099 -1.380 -8.909 1.00 72.34 H new ATOM 1004 N ARG A 66 2.629 1.220 -9.636 1.00 10.44 N ATOM 1005 CA ARG A 66 3.805 1.896 -10.171 1.00 31.12 C ATOM 1006 C ARG A 66 4.596 0.967 -11.087 1.00 74.32 C ATOM 1007 O ARG A 66 4.506 -0.256 -10.975 1.00 1.03 O ATOM 1008 CB ARG A 66 4.699 2.388 -9.032 1.00 2.35 C ATOM 1009 CG ARG A 66 4.667 3.896 -8.840 1.00 61.21 C ATOM 1010 CD ARG A 66 5.576 4.332 -7.702 1.00 3.21 C ATOM 1011 NE ARG A 66 5.252 5.675 -7.227 1.00 23.44 N ATOM 1012 CZ ARG A 66 5.511 6.781 -7.915 1.00 70.54 C ATOM 1013 NH1 ARG A 66 6.094 6.704 -9.104 1.00 11.22 N ATOM 1014 NH2 ARG A 66 5.186 7.966 -7.416 1.00 11.11 N ATOM 0 H ARG A 66 2.809 0.284 -9.273 1.00 10.44 H new ATOM 0 HA ARG A 66 3.467 2.752 -10.754 1.00 31.12 H new ATOM 0 HB2 ARG A 66 4.390 1.906 -8.105 1.00 2.35 H new ATOM 0 HB3 ARG A 66 5.725 2.077 -9.227 1.00 2.35 H new ATOM 0 HG2 ARG A 66 4.976 4.388 -9.762 1.00 61.21 H new ATOM 0 HG3 ARG A 66 3.646 4.216 -8.634 1.00 61.21 H new ATOM 0 HD2 ARG A 66 5.489 3.625 -6.877 1.00 3.21 H new ATOM 0 HD3 ARG A 66 6.613 4.306 -8.036 1.00 3.21 H new ATOM 0 HE ARG A 66 4.802 5.768 -6.316 1.00 23.44 H new ATOM 0 HH11 ARG A 66 6.344 5.794 -9.491 1.00 11.22 H new ATOM 0 HH12 ARG A 66 6.292 7.555 -9.631 1.00 11.22 H new ATOM 0 HH21 ARG A 66 4.736 8.029 -6.503 1.00 11.11 H new ATOM 0 HH22 ARG A 66 5.386 8.815 -7.946 1.00 11.11 H new ATOM 1028 N ARG A 67 5.369 1.555 -11.994 1.00 14.41 N ATOM 1029 CA ARG A 67 6.173 0.781 -12.931 1.00 24.33 C ATOM 1030 C ARG A 67 7.574 0.541 -12.375 1.00 21.31 C ATOM 1031 O ARG A 67 8.213 1.458 -11.857 1.00 75.42 O ATOM 1032 CB ARG A 67 6.264 1.502 -14.277 1.00 11.35 C ATOM 1033 CG ARG A 67 4.915 1.720 -14.943 1.00 22.22 C ATOM 1034 CD ARG A 67 4.920 2.963 -15.818 1.00 44.14 C ATOM 1035 NE ARG A 67 5.183 4.175 -15.047 1.00 21.23 N ATOM 1036 CZ ARG A 67 5.612 5.311 -15.586 1.00 34.24 C ATOM 1037 NH1 ARG A 67 5.824 5.390 -16.892 1.00 2.00 N ATOM 1038 NH2 ARG A 67 5.828 6.371 -14.817 1.00 71.14 N ATOM 0 H ARG A 67 5.455 2.566 -12.100 1.00 14.41 H new ATOM 0 HA ARG A 67 5.687 -0.184 -13.076 1.00 24.33 H new ATOM 0 HB2 ARG A 67 6.748 2.468 -14.130 1.00 11.35 H new ATOM 0 HB3 ARG A 67 6.901 0.925 -14.947 1.00 11.35 H new ATOM 0 HG2 ARG A 67 4.662 0.849 -15.548 1.00 22.22 H new ATOM 0 HG3 ARG A 67 4.142 1.814 -14.180 1.00 22.22 H new ATOM 0 HD2 ARG A 67 5.677 2.856 -16.595 1.00 44.14 H new ATOM 0 HD3 ARG A 67 3.958 3.056 -16.322 1.00 44.14 H new ATOM 0 HE ARG A 67 5.029 4.148 -14.039 1.00 21.23 H new ATOM 0 HH11 ARG A 67 5.658 4.577 -17.486 1.00 2.00 H new ATOM 0 HH12 ARG A 67 6.153 6.263 -17.303 1.00 2.00 H new ATOM 0 HH21 ARG A 67 5.665 6.314 -13.812 1.00 71.14 H new ATOM 0 HH22 ARG A 67 6.157 7.243 -15.231 1.00 71.14 H new ATOM 1052 N ILE A 68 8.045 -0.697 -12.486 1.00 12.14 N ATOM 1053 CA ILE A 68 9.369 -1.057 -11.995 1.00 4.42 C ATOM 1054 C ILE A 68 10.067 -2.018 -12.950 1.00 62.45 C ATOM 1055 O ILE A 68 9.912 -3.235 -12.847 1.00 31.21 O ATOM 1056 CB ILE A 68 9.296 -1.701 -10.598 1.00 63.20 C ATOM 1057 CG1 ILE A 68 8.647 -0.739 -9.601 1.00 42.34 C ATOM 1058 CG2 ILE A 68 10.686 -2.103 -10.127 1.00 10.33 C ATOM 1059 CD1 ILE A 68 9.645 0.094 -8.828 1.00 24.12 C ATOM 0 H ILE A 68 7.529 -1.467 -12.912 1.00 12.14 H new ATOM 0 HA ILE A 68 9.943 -0.133 -11.930 1.00 4.42 H new ATOM 0 HB ILE A 68 8.681 -2.599 -10.660 1.00 63.20 H new ATOM 0 HG12 ILE A 68 7.970 -0.075 -10.138 1.00 42.34 H new ATOM 0 HG13 ILE A 68 8.042 -1.311 -8.898 1.00 42.34 H new ATOM 0 HG21 ILE A 68 10.618 -2.557 -9.138 1.00 10.33 H new ATOM 0 HG22 ILE A 68 11.114 -2.821 -10.827 1.00 10.33 H new ATOM 0 HG23 ILE A 68 11.323 -1.220 -10.078 1.00 10.33 H new ATOM 0 HD11 ILE A 68 9.114 0.753 -8.141 1.00 24.12 H new ATOM 0 HD12 ILE A 68 10.307 -0.563 -8.263 1.00 24.12 H new ATOM 0 HD13 ILE A 68 10.234 0.693 -9.522 1.00 24.12 H new TER 1071 ILE A 68