USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 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 41 SER OG : rot -72:sc= 0.965 USER MOD Set 1.2: A 49 TYR OH : rot -156:sc= 2.96 USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= -0.0127 F(o=-0.87,f=-0.21) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.198 K(o=-0.21,f=-1) USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.0315 X(o=-0.011,f=-0.004) USER MOD Set 3.2: A 5 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.35 (180deg=0.463) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0.14 K(o=0.14,f=-5.6!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -115:sc= 0.765 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.13) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 40:sc= -3.23! USER MOD Single : A 32 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.0043) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -0.0104 (180deg=-0.146) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -59:sc= -0.0341 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 180:sc= 0.00952 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -77:sc= 0.287 USER MOD Single : A 67 SER OG : rot 104:sc= 0.0308 USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= 1.11 (180deg=-0.867) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.255 10.372 9.996 1.00 0.00 N ATOM 2 CA MET A 1 13.886 9.931 9.644 1.00 0.00 C ATOM 3 C MET A 1 13.566 8.610 10.327 1.00 0.00 C ATOM 4 O MET A 1 14.415 7.723 10.415 1.00 0.00 O ATOM 5 CB MET A 1 13.732 9.762 8.124 1.00 0.00 C ATOM 6 CG MET A 1 13.866 11.052 7.326 1.00 0.00 C ATOM 7 SD MET A 1 15.555 11.686 7.278 1.00 0.00 S ATOM 8 CE MET A 1 15.326 13.170 6.297 1.00 0.00 C ATOM 0 H1 MET A 1 15.680 10.867 9.186 1.00 0.00 H new ATOM 0 H2 MET A 1 15.213 11.016 10.812 1.00 0.00 H new ATOM 0 H3 MET A 1 15.835 9.544 10.238 1.00 0.00 H new ATOM 0 HA MET A 1 13.193 10.700 9.985 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.482 9.053 7.773 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.756 9.322 7.918 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.521 10.879 6.307 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.213 11.809 7.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.283 13.678 6.176 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.932 12.901 5.317 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.624 13.834 6.801 1.00 0.00 H new ATOM 20 N THR A 2 12.349 8.481 10.822 1.00 0.00 N ATOM 21 CA THR A 2 11.907 7.233 11.409 1.00 0.00 C ATOM 22 C THR A 2 11.515 6.262 10.306 1.00 0.00 C ATOM 23 O THR A 2 10.599 6.532 9.528 1.00 0.00 O ATOM 24 CB THR A 2 10.714 7.459 12.352 1.00 0.00 C ATOM 25 OG1 THR A 2 11.028 8.511 13.275 1.00 0.00 O ATOM 26 CG2 THR A 2 10.379 6.192 13.124 1.00 0.00 C ATOM 0 H THR A 2 11.651 9.225 10.829 1.00 0.00 H new ATOM 0 HA THR A 2 12.728 6.816 11.992 1.00 0.00 H new ATOM 0 HB THR A 2 9.848 7.735 11.751 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.267 8.657 13.876 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.532 6.381 13.783 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.124 5.396 12.424 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.241 5.890 13.719 1.00 0.00 H new ATOM 34 N HIS A 3 12.221 5.147 10.216 1.00 0.00 N ATOM 35 CA HIS A 3 11.963 4.187 9.153 1.00 0.00 C ATOM 36 C HIS A 3 11.335 2.921 9.723 1.00 0.00 C ATOM 37 O HIS A 3 11.779 2.400 10.746 1.00 0.00 O ATOM 38 CB HIS A 3 13.252 3.868 8.359 1.00 0.00 C ATOM 39 CG HIS A 3 14.152 2.819 8.964 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.171 3.105 9.850 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.185 1.474 8.786 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.788 1.986 10.187 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.209 0.983 9.555 1.00 0.00 N ATOM 0 H HIS A 3 12.969 4.885 10.858 1.00 0.00 H new ATOM 0 HA HIS A 3 11.256 4.633 8.454 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.969 3.543 7.358 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.824 4.789 8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.526 0.896 8.155 1.00 0.00 H new ATOM 0 HE1 HIS A 3 16.625 1.906 10.865 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.479 0.002 9.627 1.00 0.00 H new ATOM 52 N HIS A 4 10.290 2.443 9.067 1.00 0.00 N ATOM 53 CA HIS A 4 9.649 1.200 9.457 1.00 0.00 C ATOM 54 C HIS A 4 9.740 0.201 8.318 1.00 0.00 C ATOM 55 O HIS A 4 9.206 0.429 7.234 1.00 0.00 O ATOM 56 CB HIS A 4 8.178 1.438 9.825 1.00 0.00 C ATOM 57 CG HIS A 4 7.458 0.213 10.284 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.808 -0.507 11.407 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.396 -0.416 9.750 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.988 -1.537 11.535 1.00 0.00 C ATOM 61 NE2 HIS A 4 6.118 -1.502 10.543 1.00 0.00 N ATOM 0 H HIS A 4 9.867 2.900 8.259 1.00 0.00 H new ATOM 0 HA HIS A 4 10.163 0.803 10.333 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.129 2.191 10.611 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.660 1.848 8.958 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.860 -0.121 8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.024 -2.280 12.318 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.364 -2.171 10.391 1.00 0.00 H new ATOM 70 N THR A 5 10.423 -0.896 8.571 1.00 0.00 N ATOM 71 CA THR A 5 10.541 -1.962 7.610 1.00 0.00 C ATOM 72 C THR A 5 9.768 -3.185 8.081 1.00 0.00 C ATOM 73 O THR A 5 9.980 -3.670 9.193 1.00 0.00 O ATOM 74 CB THR A 5 12.016 -2.318 7.413 1.00 0.00 C ATOM 75 OG1 THR A 5 12.759 -1.934 8.576 1.00 0.00 O ATOM 76 CG2 THR A 5 12.590 -1.634 6.180 1.00 0.00 C ATOM 0 H THR A 5 10.910 -1.070 9.450 1.00 0.00 H new ATOM 0 HA THR A 5 10.122 -1.630 6.660 1.00 0.00 H new ATOM 0 HB THR A 5 12.093 -3.395 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.704 -2.163 8.451 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.639 -1.907 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.036 -1.952 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.506 -0.553 6.292 1.00 0.00 H new ATOM 84 N GLU A 6 8.864 -3.671 7.247 1.00 0.00 N ATOM 85 CA GLU A 6 8.002 -4.777 7.628 1.00 0.00 C ATOM 86 C GLU A 6 7.768 -5.705 6.442 1.00 0.00 C ATOM 87 O GLU A 6 7.634 -5.248 5.312 1.00 0.00 O ATOM 88 CB GLU A 6 6.672 -4.226 8.146 1.00 0.00 C ATOM 89 CG GLU A 6 5.808 -5.252 8.855 1.00 0.00 C ATOM 90 CD GLU A 6 4.521 -4.654 9.382 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.572 -3.558 9.984 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.458 -5.285 9.212 1.00 0.00 O ATOM 0 H GLU A 6 8.708 -3.318 6.303 1.00 0.00 H new ATOM 0 HA GLU A 6 8.485 -5.353 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.875 -3.403 8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.112 -3.813 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.574 -6.064 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.369 -5.687 9.682 1.00 0.00 H new ATOM 99 N VAL A 7 7.740 -7.001 6.696 1.00 0.00 N ATOM 100 CA VAL A 7 7.488 -7.973 5.645 1.00 0.00 C ATOM 101 C VAL A 7 6.081 -8.551 5.770 1.00 0.00 C ATOM 102 O VAL A 7 5.696 -9.066 6.825 1.00 0.00 O ATOM 103 CB VAL A 7 8.521 -9.122 5.673 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.213 -10.162 4.606 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.930 -8.580 5.489 1.00 0.00 C ATOM 0 H VAL A 7 7.889 -7.406 7.620 1.00 0.00 H new ATOM 0 HA VAL A 7 7.581 -7.449 4.694 1.00 0.00 H new ATOM 0 HB VAL A 7 8.457 -9.605 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.956 -10.958 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.222 -10.580 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.240 -9.693 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.643 -9.404 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.000 -8.066 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.159 -7.880 6.293 1.00 0.00 H new ATOM 115 N PHE A 8 5.317 -8.449 4.694 1.00 0.00 N ATOM 116 CA PHE A 8 3.977 -9.005 4.651 1.00 0.00 C ATOM 117 C PHE A 8 3.873 -10.012 3.513 1.00 0.00 C ATOM 118 O PHE A 8 3.901 -9.636 2.341 1.00 0.00 O ATOM 119 CB PHE A 8 2.942 -7.890 4.464 1.00 0.00 C ATOM 120 CG PHE A 8 1.520 -8.339 4.643 1.00 0.00 C ATOM 121 CD1 PHE A 8 0.994 -8.526 5.912 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.707 -8.569 3.546 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.314 -8.935 6.081 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.601 -8.977 3.709 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.112 -9.160 4.977 1.00 0.00 C ATOM 0 H PHE A 8 5.606 -7.983 3.834 1.00 0.00 H new ATOM 0 HA PHE A 8 3.775 -9.510 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.152 -7.091 5.175 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.056 -7.467 3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.614 -8.350 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.101 -8.427 2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.712 -9.079 7.075 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.224 -9.153 2.845 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.136 -9.479 5.106 1.00 0.00 H new ATOM 135 N GLU A 9 3.794 -11.292 3.872 1.00 0.00 N ATOM 136 CA GLU A 9 3.630 -12.382 2.906 1.00 0.00 C ATOM 137 C GLU A 9 4.762 -12.417 1.879 1.00 0.00 C ATOM 138 O GLU A 9 4.610 -12.963 0.785 1.00 0.00 O ATOM 139 CB GLU A 9 2.270 -12.274 2.204 1.00 0.00 C ATOM 140 CG GLU A 9 1.094 -12.385 3.161 1.00 0.00 C ATOM 141 CD GLU A 9 1.163 -13.630 4.023 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.651 -14.688 3.598 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.739 -13.560 5.130 1.00 0.00 O ATOM 0 H GLU A 9 3.842 -11.605 4.842 1.00 0.00 H new ATOM 0 HA GLU A 9 3.670 -13.318 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.214 -11.321 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.193 -13.058 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.067 -11.504 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.165 -12.393 2.591 1.00 0.00 H new ATOM 150 N GLY A 10 5.905 -11.857 2.249 1.00 0.00 N ATOM 151 CA GLY A 10 7.044 -11.840 1.357 1.00 0.00 C ATOM 152 C GLY A 10 7.333 -10.455 0.819 1.00 0.00 C ATOM 153 O GLY A 10 8.452 -10.171 0.384 1.00 0.00 O ATOM 0 H GLY A 10 6.063 -11.413 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.922 -12.212 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.861 -12.520 0.525 1.00 0.00 H new ATOM 157 N GLY A 11 6.328 -9.589 0.867 1.00 0.00 N ATOM 158 CA GLY A 11 6.477 -8.250 0.343 1.00 0.00 C ATOM 159 C GLY A 11 7.061 -7.305 1.366 1.00 0.00 C ATOM 160 O GLY A 11 6.669 -7.327 2.534 1.00 0.00 O ATOM 0 H GLY A 11 5.410 -9.794 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.120 -8.274 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.506 -7.877 0.018 1.00 0.00 H new ATOM 164 N THR A 12 7.997 -6.482 0.932 1.00 0.00 N ATOM 165 CA THR A 12 8.664 -5.550 1.821 1.00 0.00 C ATOM 166 C THR A 12 7.913 -4.226 1.887 1.00 0.00 C ATOM 167 O THR A 12 7.586 -3.632 0.858 1.00 0.00 O ATOM 168 CB THR A 12 10.108 -5.287 1.362 1.00 0.00 C ATOM 169 OG1 THR A 12 10.796 -6.534 1.192 1.00 0.00 O ATOM 170 CG2 THR A 12 10.850 -4.425 2.372 1.00 0.00 C ATOM 0 H THR A 12 8.314 -6.440 -0.037 1.00 0.00 H new ATOM 0 HA THR A 12 8.680 -6.004 2.812 1.00 0.00 H new ATOM 0 HB THR A 12 10.076 -4.754 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.715 -6.363 0.898 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.869 -4.253 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.338 -3.469 2.481 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.876 -4.934 3.335 1.00 0.00 H new ATOM 178 N ILE A 13 7.619 -3.787 3.098 1.00 0.00 N ATOM 179 CA ILE A 13 7.022 -2.484 3.315 1.00 0.00 C ATOM 180 C ILE A 13 8.103 -1.486 3.709 1.00 0.00 C ATOM 181 O ILE A 13 8.779 -1.656 4.727 1.00 0.00 O ATOM 182 CB ILE A 13 5.944 -2.536 4.423 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.870 -3.573 4.078 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.312 -1.166 4.626 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.830 -3.762 5.165 1.00 0.00 C ATOM 0 H ILE A 13 7.786 -4.320 3.952 1.00 0.00 H new ATOM 0 HA ILE A 13 6.544 -2.172 2.386 1.00 0.00 H new ATOM 0 HB ILE A 13 6.427 -2.832 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.370 -3.272 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.353 -4.530 3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.557 -1.226 5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.081 -0.450 4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.845 -0.839 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.104 -4.511 4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.318 -4.094 6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.319 -2.817 5.348 1.00 0.00 H new ATOM 197 N ASP A 14 8.263 -0.455 2.895 1.00 0.00 N ATOM 198 CA ASP A 14 9.238 0.593 3.152 1.00 0.00 C ATOM 199 C ASP A 14 8.532 1.865 3.597 1.00 0.00 C ATOM 200 O ASP A 14 7.930 2.565 2.782 1.00 0.00 O ATOM 201 CB ASP A 14 10.060 0.897 1.894 1.00 0.00 C ATOM 202 CG ASP A 14 11.071 -0.180 1.543 1.00 0.00 C ATOM 203 OD1 ASP A 14 10.675 -1.227 0.988 1.00 0.00 O ATOM 204 OD2 ASP A 14 12.281 0.041 1.782 1.00 0.00 O ATOM 0 H ASP A 14 7.723 -0.321 2.040 1.00 0.00 H new ATOM 0 HA ASP A 14 9.906 0.243 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.381 1.032 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.585 1.842 2.035 1.00 0.00 H new ATOM 209 N ILE A 15 8.584 2.150 4.886 1.00 0.00 N ATOM 210 CA ILE A 15 7.985 3.364 5.418 1.00 0.00 C ATOM 211 C ILE A 15 9.062 4.296 5.962 1.00 0.00 C ATOM 212 O ILE A 15 9.819 3.929 6.858 1.00 0.00 O ATOM 213 CB ILE A 15 6.962 3.056 6.536 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.845 2.149 6.005 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.377 4.348 7.091 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.798 1.792 7.041 1.00 0.00 C ATOM 0 H ILE A 15 9.034 1.559 5.584 1.00 0.00 H new ATOM 0 HA ILE A 15 7.459 3.850 4.596 1.00 0.00 H new ATOM 0 HB ILE A 15 7.478 2.534 7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.357 2.644 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.288 1.231 5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.659 4.114 7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.178 4.963 7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.875 4.893 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.043 1.149 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.271 1.267 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.325 2.703 7.409 1.00 0.00 H new ATOM 228 N GLU A 16 9.130 5.496 5.413 1.00 0.00 N ATOM 229 CA GLU A 16 10.085 6.495 5.867 1.00 0.00 C ATOM 230 C GLU A 16 9.371 7.759 6.312 1.00 0.00 C ATOM 231 O GLU A 16 8.585 8.330 5.557 1.00 0.00 O ATOM 232 CB GLU A 16 11.079 6.838 4.759 1.00 0.00 C ATOM 233 CG GLU A 16 12.206 5.831 4.598 1.00 0.00 C ATOM 234 CD GLU A 16 13.149 6.194 3.468 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.994 7.091 3.652 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.050 5.578 2.385 1.00 0.00 O ATOM 0 H GLU A 16 8.531 5.805 4.647 1.00 0.00 H new ATOM 0 HA GLU A 16 10.627 6.074 6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.540 6.917 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.509 7.818 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.768 5.767 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.783 4.844 4.412 1.00 0.00 H new ATOM 243 N ASP A 17 9.616 8.159 7.555 1.00 0.00 N ATOM 244 CA ASP A 17 9.145 9.444 8.078 1.00 0.00 C ATOM 245 C ASP A 17 7.614 9.489 8.161 1.00 0.00 C ATOM 246 O ASP A 17 7.015 10.545 8.354 1.00 0.00 O ATOM 247 CB ASP A 17 9.691 10.582 7.199 1.00 0.00 C ATOM 248 CG ASP A 17 9.363 11.962 7.724 1.00 0.00 C ATOM 249 OD1 ASP A 17 9.982 12.382 8.723 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.501 12.638 7.126 1.00 0.00 O ATOM 0 H ASP A 17 10.145 7.606 8.230 1.00 0.00 H new ATOM 0 HA ASP A 17 9.519 9.569 9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.773 10.481 7.118 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.285 10.479 6.192 1.00 0.00 H new ATOM 255 N ASP A 18 6.997 8.313 8.044 1.00 0.00 N ATOM 256 CA ASP A 18 5.533 8.167 8.042 1.00 0.00 C ATOM 257 C ASP A 18 4.911 8.812 6.806 1.00 0.00 C ATOM 258 O ASP A 18 3.687 8.883 6.687 1.00 0.00 O ATOM 259 CB ASP A 18 4.894 8.767 9.305 1.00 0.00 C ATOM 260 CG ASP A 18 5.304 8.057 10.576 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.884 6.899 10.781 1.00 0.00 O ATOM 262 OD2 ASP A 18 6.040 8.658 11.387 1.00 0.00 O ATOM 0 H ASP A 18 7.496 7.429 7.947 1.00 0.00 H new ATOM 0 HA ASP A 18 5.331 7.096 8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.170 9.819 9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.809 8.728 9.209 1.00 0.00 H new ATOM 267 N THR A 19 5.754 9.269 5.890 1.00 0.00 N ATOM 268 CA THR A 19 5.288 9.944 4.688 1.00 0.00 C ATOM 269 C THR A 19 5.705 9.185 3.429 1.00 0.00 C ATOM 270 O THR A 19 4.954 9.113 2.456 1.00 0.00 O ATOM 271 CB THR A 19 5.827 11.387 4.629 1.00 0.00 C ATOM 272 OG1 THR A 19 7.230 11.397 4.933 1.00 0.00 O ATOM 273 CG2 THR A 19 5.087 12.286 5.610 1.00 0.00 C ATOM 0 H THR A 19 6.768 9.184 5.958 1.00 0.00 H new ATOM 0 HA THR A 19 4.199 9.972 4.730 1.00 0.00 H new ATOM 0 HB THR A 19 5.667 11.769 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.381 11.894 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.487 13.298 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.026 12.299 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.218 11.905 6.623 1.00 0.00 H new ATOM 281 N SER A 20 6.902 8.618 3.458 1.00 0.00 N ATOM 282 CA SER A 20 7.405 7.831 2.345 1.00 0.00 C ATOM 283 C SER A 20 6.814 6.428 2.403 1.00 0.00 C ATOM 284 O SER A 20 7.051 5.688 3.363 1.00 0.00 O ATOM 285 CB SER A 20 8.935 7.762 2.397 1.00 0.00 C ATOM 286 OG SER A 20 9.467 7.093 1.267 1.00 0.00 O ATOM 0 H SER A 20 7.546 8.690 4.246 1.00 0.00 H new ATOM 0 HA SER A 20 7.110 8.305 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.343 8.771 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.246 7.246 3.305 1.00 0.00 H new ATOM 0 HG SER A 20 10.445 7.069 1.332 1.00 0.00 H new ATOM 292 N LEU A 21 6.033 6.072 1.391 1.00 0.00 N ATOM 293 CA LEU A 21 5.397 4.764 1.339 1.00 0.00 C ATOM 294 C LEU A 21 5.839 4.019 0.086 1.00 0.00 C ATOM 295 O LEU A 21 5.571 4.449 -1.040 1.00 0.00 O ATOM 296 CB LEU A 21 3.871 4.914 1.342 1.00 0.00 C ATOM 297 CG LEU A 21 3.076 3.763 1.982 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.407 2.423 1.343 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.326 3.714 3.483 1.00 0.00 C ATOM 0 H LEU A 21 5.825 6.673 0.594 1.00 0.00 H new ATOM 0 HA LEU A 21 5.697 4.195 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.619 5.837 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.536 5.030 0.311 1.00 0.00 H new ATOM 0 HG LEU A 21 2.018 3.957 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.825 1.637 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.164 2.457 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.470 2.214 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.756 2.894 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.388 3.558 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.013 4.655 3.935 1.00 0.00 H new ATOM 311 N THR A 22 6.518 2.906 0.286 1.00 0.00 N ATOM 312 CA THR A 22 6.945 2.067 -0.818 1.00 0.00 C ATOM 313 C THR A 22 6.674 0.606 -0.493 1.00 0.00 C ATOM 314 O THR A 22 6.992 0.144 0.600 1.00 0.00 O ATOM 315 CB THR A 22 8.448 2.251 -1.096 1.00 0.00 C ATOM 316 OG1 THR A 22 8.945 3.356 -0.334 1.00 0.00 O ATOM 317 CG2 THR A 22 8.704 2.513 -2.570 1.00 0.00 C ATOM 0 H THR A 22 6.787 2.560 1.207 1.00 0.00 H new ATOM 0 HA THR A 22 6.383 2.360 -1.704 1.00 0.00 H new ATOM 0 HB THR A 22 8.961 1.333 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.902 3.471 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.774 2.639 -2.737 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.342 1.669 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.180 3.419 -2.875 1.00 0.00 H new ATOM 325 N ILE A 23 6.064 -0.113 -1.421 1.00 0.00 N ATOM 326 CA ILE A 23 5.834 -1.535 -1.233 1.00 0.00 C ATOM 327 C ILE A 23 6.601 -2.322 -2.281 1.00 0.00 C ATOM 328 O ILE A 23 6.432 -2.093 -3.478 1.00 0.00 O ATOM 329 CB ILE A 23 4.336 -1.898 -1.295 1.00 0.00 C ATOM 330 CG1 ILE A 23 3.560 -1.150 -0.207 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.159 -3.401 -1.139 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.072 -1.437 -0.209 1.00 0.00 C ATOM 0 H ILE A 23 5.722 0.262 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 23 6.191 -1.796 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 23 3.940 -1.598 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.970 -1.416 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.714 -0.079 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.099 -3.649 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.686 -3.915 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.565 -3.717 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.591 -0.871 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.646 -1.144 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.907 -2.502 -0.049 1.00 0.00 H new ATOM 344 N ASN A 24 7.489 -3.205 -1.811 1.00 0.00 N ATOM 345 CA ASN A 24 8.346 -4.030 -2.675 1.00 0.00 C ATOM 346 C ASN A 24 9.434 -3.178 -3.334 1.00 0.00 C ATOM 347 O ASN A 24 10.412 -3.698 -3.865 1.00 0.00 O ATOM 348 CB ASN A 24 7.510 -4.759 -3.743 1.00 0.00 C ATOM 349 CG ASN A 24 8.312 -5.749 -4.574 1.00 0.00 C ATOM 350 OD1 ASN A 24 8.900 -5.392 -5.597 1.00 0.00 O ATOM 351 ND2 ASN A 24 8.328 -7.002 -4.147 1.00 0.00 N ATOM 0 H ASN A 24 7.635 -3.370 -0.815 1.00 0.00 H new ATOM 0 HA ASN A 24 8.830 -4.781 -2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.692 -5.287 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.061 -4.021 -4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.840 -7.712 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.828 -7.257 -3.295 1.00 0.00 H new ATOM 358 N GLY A 25 9.275 -1.865 -3.251 1.00 0.00 N ATOM 359 CA GLY A 25 10.173 -0.950 -3.926 1.00 0.00 C ATOM 360 C GLY A 25 9.426 -0.069 -4.904 1.00 0.00 C ATOM 361 O GLY A 25 10.022 0.725 -5.627 1.00 0.00 O ATOM 0 H GLY A 25 8.530 -1.413 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.684 -0.329 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.941 -1.514 -4.455 1.00 0.00 H new ATOM 365 N LYS A 26 8.109 -0.212 -4.913 1.00 0.00 N ATOM 366 CA LYS A 26 7.253 0.537 -5.818 1.00 0.00 C ATOM 367 C LYS A 26 6.507 1.609 -5.029 1.00 0.00 C ATOM 368 O LYS A 26 5.966 1.324 -3.955 1.00 0.00 O ATOM 369 CB LYS A 26 6.277 -0.428 -6.501 1.00 0.00 C ATOM 370 CG LYS A 26 5.515 0.168 -7.671 1.00 0.00 C ATOM 371 CD LYS A 26 4.740 -0.909 -8.414 1.00 0.00 C ATOM 372 CE LYS A 26 4.086 -0.367 -9.673 1.00 0.00 C ATOM 373 NZ LYS A 26 3.392 -1.435 -10.445 1.00 0.00 N ATOM 0 H LYS A 26 7.606 -0.849 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 26 7.848 1.028 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.832 -1.298 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.560 -0.784 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.828 0.934 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.211 0.658 -8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.413 -1.725 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.976 -1.325 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.370 0.410 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.843 0.101 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.959 -1.023 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.079 -2.164 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.652 -1.865 -9.854 1.00 0.00 H new ATOM 387 N GLU A 27 6.494 2.835 -5.547 1.00 0.00 N ATOM 388 CA GLU A 27 5.910 3.963 -4.826 1.00 0.00 C ATOM 389 C GLU A 27 4.392 3.825 -4.740 1.00 0.00 C ATOM 390 O GLU A 27 3.730 3.478 -5.722 1.00 0.00 O ATOM 391 CB GLU A 27 6.294 5.292 -5.495 1.00 0.00 C ATOM 392 CG GLU A 27 5.742 5.457 -6.900 1.00 0.00 C ATOM 393 CD GLU A 27 6.160 6.757 -7.550 1.00 0.00 C ATOM 394 OE1 GLU A 27 5.659 7.824 -7.143 1.00 0.00 O ATOM 395 OE2 GLU A 27 6.981 6.721 -8.488 1.00 0.00 O ATOM 0 H GLU A 27 6.880 3.072 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 27 6.310 3.960 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.937 6.115 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.381 5.368 -5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.079 4.624 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.654 5.408 -6.865 1.00 0.00 H new ATOM 402 N ILE A 28 3.849 4.079 -3.558 1.00 0.00 N ATOM 403 CA ILE A 28 2.419 3.958 -3.339 1.00 0.00 C ATOM 404 C ILE A 28 1.792 5.328 -3.115 1.00 0.00 C ATOM 405 O ILE A 28 2.083 5.997 -2.123 1.00 0.00 O ATOM 406 CB ILE A 28 2.100 3.048 -2.132 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.808 1.697 -2.277 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.599 2.840 -2.013 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.384 0.911 -3.500 1.00 0.00 C ATOM 0 H ILE A 28 4.379 4.370 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 28 1.996 3.504 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 28 2.462 3.536 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.884 1.864 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.614 1.098 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.387 2.197 -1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.108 3.803 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.224 2.371 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.929 -0.033 -3.533 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.314 0.711 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.604 1.488 -4.398 1.00 0.00 H new ATOM 421 N SER A 29 0.946 5.742 -4.044 1.00 0.00 N ATOM 422 CA SER A 29 0.254 7.014 -3.933 1.00 0.00 C ATOM 423 C SER A 29 -1.242 6.779 -3.747 1.00 0.00 C ATOM 424 O SER A 29 -1.784 5.770 -4.210 1.00 0.00 O ATOM 425 CB SER A 29 0.515 7.871 -5.173 1.00 0.00 C ATOM 426 OG SER A 29 0.015 9.189 -5.005 1.00 0.00 O ATOM 0 H SER A 29 0.722 5.213 -4.887 1.00 0.00 H new ATOM 0 HA SER A 29 0.633 7.549 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.586 7.909 -5.372 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.045 7.410 -6.042 1.00 0.00 H new ATOM 0 HG SER A 29 0.198 9.714 -5.812 1.00 0.00 H new ATOM 432 N TYR A 30 -1.903 7.698 -3.062 1.00 0.00 N ATOM 433 CA TYR A 30 -3.326 7.572 -2.799 1.00 0.00 C ATOM 434 C TYR A 30 -4.051 8.822 -3.270 1.00 0.00 C ATOM 435 O TYR A 30 -3.434 9.870 -3.459 1.00 0.00 O ATOM 436 CB TYR A 30 -3.593 7.393 -1.298 1.00 0.00 C ATOM 437 CG TYR A 30 -2.595 6.513 -0.589 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.600 5.140 -0.771 1.00 0.00 C ATOM 439 CD2 TYR A 30 -1.650 7.060 0.268 1.00 0.00 C ATOM 440 CE1 TYR A 30 -1.691 4.336 -0.119 1.00 0.00 C ATOM 441 CE2 TYR A 30 -0.738 6.262 0.924 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.761 4.900 0.726 1.00 0.00 C ATOM 443 OH TYR A 30 0.142 4.095 1.376 1.00 0.00 O ATOM 0 H TYR A 30 -1.475 8.541 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.689 6.696 -3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.597 8.374 -0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.589 6.971 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.327 4.693 -1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.629 8.129 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.708 3.267 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.010 6.702 1.589 1.00 0.00 H new ATOM 0 HH TYR A 30 0.449 3.391 0.768 1.00 0.00 H new ATOM 453 N VAL A 31 -5.353 8.711 -3.471 1.00 0.00 N ATOM 454 CA VAL A 31 -6.186 9.890 -3.603 1.00 0.00 C ATOM 455 C VAL A 31 -6.732 10.218 -2.212 1.00 0.00 C ATOM 456 O VAL A 31 -7.814 9.785 -1.814 1.00 0.00 O ATOM 457 CB VAL A 31 -7.323 9.718 -4.653 1.00 0.00 C ATOM 458 CG1 VAL A 31 -8.165 8.479 -4.387 1.00 0.00 C ATOM 459 CG2 VAL A 31 -8.197 10.965 -4.712 1.00 0.00 C ATOM 0 H VAL A 31 -5.851 7.824 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.588 10.718 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.848 9.581 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.945 8.400 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.531 7.593 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.623 8.555 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.985 10.823 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.645 11.142 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.587 11.824 -4.992 1.00 0.00 H new ATOM 469 N HIS A 32 -5.933 10.953 -1.453 1.00 0.00 N ATOM 470 CA HIS A 32 -6.137 11.056 -0.015 1.00 0.00 C ATOM 471 C HIS A 32 -6.994 12.256 0.357 1.00 0.00 C ATOM 472 O HIS A 32 -6.979 12.722 1.498 1.00 0.00 O ATOM 473 CB HIS A 32 -4.783 11.119 0.695 1.00 0.00 C ATOM 474 CG HIS A 32 -4.806 10.532 2.070 1.00 0.00 C ATOM 475 ND1 HIS A 32 -4.491 11.242 3.204 1.00 0.00 N ATOM 476 CD2 HIS A 32 -5.106 9.280 2.484 1.00 0.00 C ATOM 477 CE1 HIS A 32 -4.598 10.454 4.257 1.00 0.00 C ATOM 478 NE2 HIS A 32 -4.974 9.254 3.851 1.00 0.00 N ATOM 0 H HIS A 32 -5.139 11.486 -1.807 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.677 10.167 0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.042 10.591 0.095 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.462 12.159 0.757 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.396 8.452 1.855 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.410 10.742 5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.138 8.446 4.451 1.00 0.00 H new ATOM 487 N ASP A 33 -7.757 12.738 -0.601 1.00 0.00 N ATOM 488 CA ASP A 33 -8.696 13.822 -0.359 1.00 0.00 C ATOM 489 C ASP A 33 -10.032 13.466 -0.967 1.00 0.00 C ATOM 490 O ASP A 33 -10.117 13.130 -2.150 1.00 0.00 O ATOM 491 CB ASP A 33 -8.203 15.131 -0.953 1.00 0.00 C ATOM 492 CG ASP A 33 -8.830 16.341 -0.289 1.00 0.00 C ATOM 493 OD1 ASP A 33 -9.950 16.735 -0.677 1.00 0.00 O ATOM 494 OD2 ASP A 33 -8.199 16.907 0.629 1.00 0.00 O ATOM 0 H ASP A 33 -7.748 12.396 -1.562 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.792 13.956 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.119 15.186 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.426 15.149 -2.020 1.00 0.00 H new ATOM 499 N ALA A 34 -11.067 13.539 -0.163 1.00 0.00 N ATOM 500 CA ALA A 34 -12.391 13.138 -0.594 1.00 0.00 C ATOM 501 C ALA A 34 -13.465 13.883 0.182 1.00 0.00 C ATOM 502 O ALA A 34 -13.278 14.223 1.350 1.00 0.00 O ATOM 503 CB ALA A 34 -12.573 11.637 -0.429 1.00 0.00 C ATOM 0 H ALA A 34 -11.019 13.874 0.799 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.492 13.391 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.573 11.353 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.831 11.112 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.446 11.368 0.620 1.00 0.00 H new ATOM 509 N VAL A 35 -14.575 14.140 -0.483 1.00 0.00 N ATOM 510 CA VAL A 35 -15.724 14.772 0.144 1.00 0.00 C ATOM 511 C VAL A 35 -16.857 13.758 0.260 1.00 0.00 C ATOM 512 O VAL A 35 -17.588 13.719 1.249 1.00 0.00 O ATOM 513 CB VAL A 35 -16.205 15.994 -0.675 1.00 0.00 C ATOM 514 CG1 VAL A 35 -17.414 16.651 -0.027 1.00 0.00 C ATOM 515 CG2 VAL A 35 -15.073 17.002 -0.846 1.00 0.00 C ATOM 0 H VAL A 35 -14.707 13.918 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.429 15.119 1.134 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.507 15.639 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.728 17.506 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.230 15.931 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.151 16.987 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.429 17.855 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.738 17.343 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.242 16.530 -1.370 1.00 0.00 H new ATOM 525 N LYS A 36 -16.969 12.920 -0.760 1.00 0.00 N ATOM 526 CA LYS A 36 -17.996 11.889 -0.812 1.00 0.00 C ATOM 527 C LYS A 36 -17.504 10.605 -0.153 1.00 0.00 C ATOM 528 O LYS A 36 -18.156 9.562 -0.243 1.00 0.00 O ATOM 529 CB LYS A 36 -18.372 11.617 -2.270 1.00 0.00 C ATOM 530 CG LYS A 36 -18.816 12.861 -3.024 1.00 0.00 C ATOM 531 CD LYS A 36 -19.016 12.582 -4.505 1.00 0.00 C ATOM 532 CE LYS A 36 -19.528 13.812 -5.237 1.00 0.00 C ATOM 533 NZ LYS A 36 -20.909 14.170 -4.816 1.00 0.00 N ATOM 0 H LYS A 36 -16.353 12.935 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.873 12.239 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.516 11.178 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.174 10.879 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.747 13.233 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.071 13.647 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.073 12.260 -4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.723 11.762 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.861 14.652 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.511 13.629 -6.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -21.299 14.878 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.507 13.319 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -20.888 14.563 -3.854 1.00 0.00 H new ATOM 547 N ASN A 37 -16.350 10.704 0.513 1.00 0.00 N ATOM 548 CA ASN A 37 -15.713 9.562 1.173 1.00 0.00 C ATOM 549 C ASN A 37 -15.293 8.513 0.148 1.00 0.00 C ATOM 550 O ASN A 37 -15.206 8.805 -1.046 1.00 0.00 O ATOM 551 CB ASN A 37 -16.648 8.943 2.223 1.00 0.00 C ATOM 552 CG ASN A 37 -16.865 9.846 3.424 1.00 0.00 C ATOM 553 OD1 ASN A 37 -16.075 9.653 4.474 1.00 0.00 O flip ATOM 554 ND2 ASN A 37 -17.741 10.708 3.414 1.00 0.00 N flip ATOM 0 H ASN A 37 -15.832 11.577 0.609 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.820 9.923 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.610 8.723 1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.231 7.993 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.329 10.828 2.589 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.880 11.304 4.230 1.00 0.00 H new ATOM 561 N LYS A 38 -15.019 7.299 0.627 1.00 0.00 N ATOM 562 CA LYS A 38 -14.583 6.194 -0.230 1.00 0.00 C ATOM 563 C LYS A 38 -13.293 6.541 -0.968 1.00 0.00 C ATOM 564 O LYS A 38 -13.196 6.391 -2.185 1.00 0.00 O ATOM 565 CB LYS A 38 -15.678 5.805 -1.229 1.00 0.00 C ATOM 566 CG LYS A 38 -16.950 5.292 -0.573 1.00 0.00 C ATOM 567 CD LYS A 38 -17.954 4.808 -1.604 1.00 0.00 C ATOM 568 CE LYS A 38 -19.244 4.347 -0.947 1.00 0.00 C ATOM 569 NZ LYS A 38 -20.227 3.852 -1.945 1.00 0.00 N ATOM 0 H LYS A 38 -15.092 7.054 1.614 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.387 5.339 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.921 6.672 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.290 5.038 -1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.706 4.477 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.397 6.085 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.170 5.611 -2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.522 3.988 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.024 3.556 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.681 5.173 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.093 3.547 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.457 4.615 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.820 3.048 -2.464 1.00 0.00 H new ATOM 583 N TRP A 39 -12.305 7.009 -0.218 1.00 0.00 N ATOM 584 CA TRP A 39 -10.996 7.300 -0.779 1.00 0.00 C ATOM 585 C TRP A 39 -10.177 6.016 -0.864 1.00 0.00 C ATOM 586 O TRP A 39 -10.401 5.075 -0.097 1.00 0.00 O ATOM 587 CB TRP A 39 -10.269 8.357 0.065 1.00 0.00 C ATOM 588 CG TRP A 39 -10.065 7.962 1.496 1.00 0.00 C ATOM 589 CD1 TRP A 39 -8.988 7.308 2.017 1.00 0.00 C ATOM 590 CD2 TRP A 39 -10.960 8.199 2.592 1.00 0.00 C ATOM 591 NE1 TRP A 39 -9.156 7.120 3.365 1.00 0.00 N ATOM 592 CE2 TRP A 39 -10.358 7.658 3.743 1.00 0.00 C ATOM 593 CE3 TRP A 39 -12.205 8.817 2.712 1.00 0.00 C ATOM 594 CZ2 TRP A 39 -10.959 7.713 4.995 1.00 0.00 C ATOM 595 CZ3 TRP A 39 -12.804 8.869 3.956 1.00 0.00 C ATOM 596 CH2 TRP A 39 -12.179 8.323 5.083 1.00 0.00 C ATOM 0 H TRP A 39 -12.387 7.195 0.782 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.121 7.704 -1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -9.298 8.562 -0.386 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -10.838 9.286 0.033 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.127 6.985 1.450 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.493 6.655 3.986 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -12.691 9.247 1.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.480 7.290 5.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -13.771 9.339 4.060 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -12.671 8.385 6.042 1.00 0.00 H new ATOM 607 N SER A 40 -9.243 5.967 -1.799 1.00 0.00 N ATOM 608 CA SER A 40 -8.456 4.764 -2.020 1.00 0.00 C ATOM 609 C SER A 40 -7.081 5.101 -2.593 1.00 0.00 C ATOM 610 O SER A 40 -6.735 6.269 -2.771 1.00 0.00 O ATOM 611 CB SER A 40 -9.198 3.817 -2.962 1.00 0.00 C ATOM 612 OG SER A 40 -10.433 3.392 -2.408 1.00 0.00 O ATOM 0 H SER A 40 -9.011 6.745 -2.417 1.00 0.00 H new ATOM 0 HA SER A 40 -8.311 4.273 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.378 4.317 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.574 2.948 -3.171 1.00 0.00 H new ATOM 0 HG SER A 40 -10.270 2.935 -1.557 1.00 0.00 H new ATOM 618 N SER A 41 -6.298 4.068 -2.863 1.00 0.00 N ATOM 619 CA SER A 41 -4.983 4.227 -3.452 1.00 0.00 C ATOM 620 C SER A 41 -5.071 4.351 -4.971 1.00 0.00 C ATOM 621 O SER A 41 -4.988 5.449 -5.524 1.00 0.00 O ATOM 622 CB SER A 41 -4.122 3.027 -3.067 1.00 0.00 C ATOM 623 OG SER A 41 -4.854 1.813 -3.200 1.00 0.00 O ATOM 0 H SER A 41 -6.558 3.099 -2.679 1.00 0.00 H new ATOM 0 HA SER A 41 -4.532 5.144 -3.073 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.235 2.993 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.776 3.137 -2.039 1.00 0.00 H new ATOM 0 HG SER A 41 -5.526 1.756 -2.488 1.00 0.00 H new ATOM 629 N ARG A 42 -5.271 3.209 -5.619 1.00 0.00 N ATOM 630 CA ARG A 42 -5.308 3.109 -7.075 1.00 0.00 C ATOM 631 C ARG A 42 -5.435 1.643 -7.467 1.00 0.00 C ATOM 632 O ARG A 42 -6.134 1.295 -8.416 1.00 0.00 O ATOM 633 CB ARG A 42 -4.034 3.706 -7.691 1.00 0.00 C ATOM 634 CG ARG A 42 -3.966 3.652 -9.212 1.00 0.00 C ATOM 635 CD ARG A 42 -5.087 4.450 -9.868 1.00 0.00 C ATOM 636 NE ARG A 42 -6.317 3.671 -10.006 1.00 0.00 N ATOM 637 CZ ARG A 42 -7.504 4.194 -10.314 1.00 0.00 C ATOM 638 NH1 ARG A 42 -7.642 5.508 -10.471 1.00 0.00 N ATOM 639 NH2 ARG A 42 -8.556 3.401 -10.468 1.00 0.00 N ATOM 0 H ARG A 42 -5.414 2.317 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.164 3.670 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.949 4.746 -7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.171 3.178 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.003 4.040 -9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.022 2.614 -9.540 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.289 5.342 -9.275 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.762 4.788 -10.852 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.263 2.663 -9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.836 6.123 -10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.553 5.901 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.456 2.393 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.465 3.799 -10.704 1.00 0.00 H new ATOM 653 N TYR A 43 -4.762 0.788 -6.705 1.00 0.00 N ATOM 654 CA TYR A 43 -4.749 -0.644 -6.979 1.00 0.00 C ATOM 655 C TYR A 43 -5.943 -1.322 -6.318 1.00 0.00 C ATOM 656 O TYR A 43 -6.417 -2.361 -6.778 1.00 0.00 O ATOM 657 CB TYR A 43 -3.434 -1.259 -6.488 1.00 0.00 C ATOM 658 CG TYR A 43 -2.213 -0.519 -6.989 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.722 -0.729 -8.273 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.564 0.408 -6.184 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.619 -0.036 -8.737 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.459 1.100 -6.639 1.00 0.00 C ATOM 663 CZ TYR A 43 0.008 0.876 -7.917 1.00 0.00 C ATOM 664 OH TYR A 43 1.097 1.579 -8.382 1.00 0.00 O ATOM 0 H TYR A 43 -4.216 1.064 -5.889 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.824 -0.799 -8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.427 -1.265 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.381 -2.298 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.210 -1.445 -8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.930 0.591 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.251 -0.209 -9.737 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.037 1.813 -5.997 1.00 0.00 H new ATOM 0 HH TYR A 43 1.421 2.182 -7.680 1.00 0.00 H new ATOM 674 N LEU A 44 -6.419 -0.734 -5.225 1.00 0.00 N ATOM 675 CA LEU A 44 -7.635 -1.204 -4.568 1.00 0.00 C ATOM 676 C LEU A 44 -8.605 -0.042 -4.363 1.00 0.00 C ATOM 677 O LEU A 44 -8.713 0.495 -3.263 1.00 0.00 O ATOM 678 CB LEU A 44 -7.335 -1.863 -3.210 1.00 0.00 C ATOM 679 CG LEU A 44 -6.630 -3.226 -3.250 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.145 -3.072 -3.536 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.847 -3.968 -1.939 1.00 0.00 C ATOM 0 H LEU A 44 -5.981 0.070 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.085 -1.954 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.720 -1.178 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.276 -1.982 -2.673 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.065 -3.808 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.675 -4.055 -3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.009 -2.583 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.685 -2.467 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.342 -4.933 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.440 -3.380 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.914 -4.123 -1.781 1.00 0.00 H new ATOM 693 N PRO A 45 -9.297 0.391 -5.425 1.00 0.00 N ATOM 694 CA PRO A 45 -10.215 1.514 -5.367 1.00 0.00 C ATOM 695 C PRO A 45 -11.662 1.082 -5.146 1.00 0.00 C ATOM 696 O PRO A 45 -12.457 1.041 -6.084 1.00 0.00 O ATOM 697 CB PRO A 45 -10.038 2.149 -6.747 1.00 0.00 C ATOM 698 CG PRO A 45 -9.624 1.023 -7.655 1.00 0.00 C ATOM 699 CD PRO A 45 -9.235 -0.154 -6.784 1.00 0.00 C ATOM 0 HA PRO A 45 -10.006 2.184 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.965 2.609 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.282 2.934 -6.724 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.441 0.751 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.787 1.327 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.920 -0.992 -6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.237 -0.519 -7.025 1.00 0.00 H new ATOM 707 N TYR A 46 -11.988 0.749 -3.905 1.00 0.00 N ATOM 708 CA TYR A 46 -13.334 0.319 -3.549 1.00 0.00 C ATOM 709 C TYR A 46 -13.658 0.703 -2.114 1.00 0.00 C ATOM 710 O TYR A 46 -14.561 1.502 -1.860 1.00 0.00 O ATOM 711 CB TYR A 46 -13.493 -1.195 -3.727 1.00 0.00 C ATOM 712 CG TYR A 46 -13.669 -1.624 -5.162 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.864 -1.385 -5.827 1.00 0.00 C ATOM 714 CD2 TYR A 46 -12.646 -2.260 -5.854 1.00 0.00 C ATOM 715 CE1 TYR A 46 -15.038 -1.771 -7.139 1.00 0.00 C ATOM 716 CE2 TYR A 46 -12.813 -2.651 -7.168 1.00 0.00 C ATOM 717 CZ TYR A 46 -14.010 -2.403 -7.805 1.00 0.00 C ATOM 718 OH TYR A 46 -14.183 -2.801 -9.113 1.00 0.00 O ATOM 0 H TYR A 46 -11.334 0.769 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.030 0.824 -4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.617 -1.694 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.354 -1.531 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -15.671 -0.889 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.706 -2.451 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -15.974 -1.579 -7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.011 -3.148 -7.693 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.363 -3.230 -9.436 1.00 0.00 H new ATOM 728 N THR A 47 -12.905 0.141 -1.180 1.00 0.00 N ATOM 729 CA THR A 47 -13.140 0.376 0.233 1.00 0.00 C ATOM 730 C THR A 47 -12.295 1.539 0.735 1.00 0.00 C ATOM 731 O THR A 47 -11.160 1.731 0.292 1.00 0.00 O ATOM 732 CB THR A 47 -12.837 -0.888 1.063 1.00 0.00 C ATOM 733 OG1 THR A 47 -11.581 -1.457 0.657 1.00 0.00 O ATOM 734 CG2 THR A 47 -13.943 -1.920 0.901 1.00 0.00 C ATOM 0 H THR A 47 -12.123 -0.483 -1.379 1.00 0.00 H new ATOM 0 HA THR A 47 -14.194 0.627 0.355 1.00 0.00 H new ATOM 0 HB THR A 47 -12.781 -0.600 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.397 -2.258 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.707 -2.803 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.888 -1.496 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.027 -2.202 -0.149 1.00 0.00 H new ATOM 742 N GLN A 48 -12.856 2.325 1.644 1.00 0.00 N ATOM 743 CA GLN A 48 -12.136 3.449 2.212 1.00 0.00 C ATOM 744 C GLN A 48 -11.377 3.010 3.462 1.00 0.00 C ATOM 745 O GLN A 48 -11.967 2.652 4.484 1.00 0.00 O ATOM 746 CB GLN A 48 -13.090 4.622 2.505 1.00 0.00 C ATOM 747 CG GLN A 48 -14.152 4.340 3.555 1.00 0.00 C ATOM 748 CD GLN A 48 -15.272 5.362 3.539 1.00 0.00 C ATOM 749 OE1 GLN A 48 -15.185 6.412 4.175 1.00 0.00 O ATOM 750 NE2 GLN A 48 -16.344 5.052 2.828 1.00 0.00 N ATOM 0 H GLN A 48 -13.804 2.203 2.001 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.406 3.804 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.499 5.479 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.585 4.908 1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -14.569 3.347 3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.689 4.329 4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -16.378 4.172 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.136 5.693 2.794 1.00 0.00 H new ATOM 759 N TYR A 49 -10.063 3.000 3.346 1.00 0.00 N ATOM 760 CA TYR A 49 -9.184 2.598 4.432 1.00 0.00 C ATOM 761 C TYR A 49 -8.389 3.795 4.935 1.00 0.00 C ATOM 762 O TYR A 49 -8.053 4.692 4.163 1.00 0.00 O ATOM 763 CB TYR A 49 -8.241 1.478 3.968 1.00 0.00 C ATOM 764 CG TYR A 49 -7.912 1.510 2.485 1.00 0.00 C ATOM 765 CD1 TYR A 49 -7.433 2.664 1.874 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.090 0.379 1.694 1.00 0.00 C ATOM 767 CE1 TYR A 49 -7.144 2.691 0.524 1.00 0.00 C ATOM 768 CE2 TYR A 49 -7.800 0.400 0.343 1.00 0.00 C ATOM 769 CZ TYR A 49 -7.326 1.559 -0.236 1.00 0.00 C ATOM 770 OH TYR A 49 -7.038 1.586 -1.582 1.00 0.00 O ATOM 0 H TYR A 49 -9.572 3.271 2.494 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.791 2.217 5.253 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.313 1.543 4.535 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.694 0.516 4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.284 3.555 2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.461 -0.530 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.776 3.598 0.066 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.944 -0.487 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.554 0.891 -2.041 1.00 0.00 H new ATOM 780 N ASP A 50 -8.086 3.808 6.222 1.00 0.00 N ATOM 781 CA ASP A 50 -7.436 4.961 6.830 1.00 0.00 C ATOM 782 C ASP A 50 -6.077 4.601 7.426 1.00 0.00 C ATOM 783 O ASP A 50 -5.161 5.425 7.436 1.00 0.00 O ATOM 784 CB ASP A 50 -8.339 5.577 7.908 1.00 0.00 C ATOM 785 CG ASP A 50 -7.712 6.788 8.573 1.00 0.00 C ATOM 786 OD1 ASP A 50 -7.518 7.816 7.889 1.00 0.00 O ATOM 787 OD2 ASP A 50 -7.411 6.719 9.785 1.00 0.00 O ATOM 0 H ASP A 50 -8.277 3.039 6.864 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.267 5.693 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.290 5.865 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.559 4.825 8.665 1.00 0.00 H new ATOM 792 N SER A 51 -5.925 3.372 7.909 1.00 0.00 N ATOM 793 CA SER A 51 -4.674 2.972 8.524 1.00 0.00 C ATOM 794 C SER A 51 -3.629 2.699 7.451 1.00 0.00 C ATOM 795 O SER A 51 -3.886 1.968 6.492 1.00 0.00 O ATOM 796 CB SER A 51 -4.880 1.736 9.398 1.00 0.00 C ATOM 797 OG SER A 51 -5.902 1.952 10.358 1.00 0.00 O ATOM 0 H SER A 51 -6.644 2.648 7.885 1.00 0.00 H new ATOM 0 HA SER A 51 -4.319 3.784 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.140 0.883 8.771 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.948 1.486 9.905 1.00 0.00 H new ATOM 0 HG SER A 51 -6.015 1.145 10.903 1.00 0.00 H new ATOM 803 N LEU A 52 -2.457 3.296 7.616 1.00 0.00 N ATOM 804 CA LEU A 52 -1.377 3.157 6.646 1.00 0.00 C ATOM 805 C LEU A 52 -0.942 1.702 6.523 1.00 0.00 C ATOM 806 O LEU A 52 -0.703 1.207 5.421 1.00 0.00 O ATOM 807 CB LEU A 52 -0.171 4.032 7.028 1.00 0.00 C ATOM 808 CG LEU A 52 -0.345 5.545 6.827 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.841 5.846 5.424 1.00 0.00 C ATOM 810 CD2 LEU A 52 -1.283 6.135 7.868 1.00 0.00 C ATOM 0 H LEU A 52 -2.228 3.885 8.417 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.758 3.494 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.067 3.850 8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.689 3.705 6.444 1.00 0.00 H new ATOM 0 HG LEU A 52 0.631 6.013 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.958 6.923 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.120 5.475 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.802 5.357 5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.386 7.207 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.261 5.660 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.876 5.962 8.864 1.00 0.00 H new ATOM 822 N LEU A 53 -0.854 1.015 7.656 1.00 0.00 N ATOM 823 CA LEU A 53 -0.487 -0.382 7.674 1.00 0.00 C ATOM 824 C LEU A 53 -1.600 -1.228 7.070 1.00 0.00 C ATOM 825 O LEU A 53 -1.341 -2.139 6.288 1.00 0.00 O ATOM 826 CB LEU A 53 -0.188 -0.827 9.107 1.00 0.00 C ATOM 827 CG LEU A 53 1.237 -0.566 9.608 1.00 0.00 C ATOM 828 CD1 LEU A 53 2.253 -1.252 8.709 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.523 0.926 9.696 1.00 0.00 C ATOM 0 H LEU A 53 -1.035 1.413 8.577 1.00 0.00 H new ATOM 0 HA LEU A 53 0.412 -0.520 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.885 -0.323 9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.389 -1.896 9.184 1.00 0.00 H new ATOM 0 HG LEU A 53 1.322 -0.984 10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.259 -1.055 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.070 -2.327 8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.159 -0.867 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.541 1.081 10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.413 1.376 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.820 1.391 10.388 1.00 0.00 H new ATOM 841 N ASP A 54 -2.840 -0.889 7.411 1.00 0.00 N ATOM 842 CA ASP A 54 -4.016 -1.589 6.883 1.00 0.00 C ATOM 843 C ASP A 54 -4.028 -1.513 5.365 1.00 0.00 C ATOM 844 O ASP A 54 -4.284 -2.500 4.673 1.00 0.00 O ATOM 845 CB ASP A 54 -5.299 -0.944 7.424 1.00 0.00 C ATOM 846 CG ASP A 54 -6.557 -1.647 6.955 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.742 -2.836 7.285 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.379 -1.007 6.267 1.00 0.00 O ATOM 0 H ASP A 54 -3.061 -0.129 8.055 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.969 -2.631 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.271 -0.950 8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.334 0.100 7.112 1.00 0.00 H new ATOM 853 N LEU A 55 -3.735 -0.322 4.874 1.00 0.00 N ATOM 854 CA LEU A 55 -3.690 -0.049 3.452 1.00 0.00 C ATOM 855 C LEU A 55 -2.577 -0.858 2.788 1.00 0.00 C ATOM 856 O LEU A 55 -2.803 -1.539 1.784 1.00 0.00 O ATOM 857 CB LEU A 55 -3.460 1.448 3.250 1.00 0.00 C ATOM 858 CG LEU A 55 -4.162 2.077 2.048 1.00 0.00 C ATOM 859 CD1 LEU A 55 -4.066 3.591 2.125 1.00 0.00 C ATOM 860 CD2 LEU A 55 -3.572 1.574 0.740 1.00 0.00 C ATOM 0 H LEU A 55 -3.520 0.487 5.456 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.634 -0.340 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.785 1.970 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.388 1.621 3.151 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.212 1.784 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.569 4.032 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.542 3.940 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.018 3.890 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.092 2.040 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.513 1.829 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.687 0.492 0.682 1.00 0.00 H new ATOM 872 N ALA A 56 -1.384 -0.791 3.373 1.00 0.00 N ATOM 873 CA ALA A 56 -0.220 -1.494 2.842 1.00 0.00 C ATOM 874 C ALA A 56 -0.464 -3.000 2.775 1.00 0.00 C ATOM 875 O ALA A 56 -0.191 -3.636 1.754 1.00 0.00 O ATOM 876 CB ALA A 56 1.012 -1.192 3.686 1.00 0.00 C ATOM 0 H ALA A 56 -1.198 -0.254 4.220 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.047 -1.138 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.872 -1.723 3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.208 -0.120 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.839 -1.517 4.712 1.00 0.00 H new ATOM 882 N ARG A 57 -0.992 -3.563 3.857 1.00 0.00 N ATOM 883 CA ARG A 57 -1.272 -4.992 3.914 1.00 0.00 C ATOM 884 C ARG A 57 -2.293 -5.376 2.856 1.00 0.00 C ATOM 885 O ARG A 57 -2.136 -6.385 2.171 1.00 0.00 O ATOM 886 CB ARG A 57 -1.809 -5.396 5.287 1.00 0.00 C ATOM 887 CG ARG A 57 -0.918 -5.037 6.456 1.00 0.00 C ATOM 888 CD ARG A 57 -1.547 -5.504 7.755 1.00 0.00 C ATOM 889 NE ARG A 57 -3.010 -5.453 7.697 1.00 0.00 N ATOM 890 CZ ARG A 57 -3.787 -4.874 8.610 1.00 0.00 C ATOM 891 NH1 ARG A 57 -3.259 -4.255 9.656 1.00 0.00 N ATOM 892 NH2 ARG A 57 -5.105 -4.917 8.471 1.00 0.00 N ATOM 0 H ARG A 57 -1.234 -3.051 4.705 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.334 -5.515 3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.781 -4.925 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.973 -6.474 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.062 -5.498 6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.761 -3.959 6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.226 -6.524 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.193 -4.880 8.576 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.467 -5.893 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.246 -4.218 9.769 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.866 -3.815 10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.518 -5.392 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.706 -4.475 9.167 1.00 0.00 H new ATOM 906 N ALA A 58 -3.331 -4.558 2.718 1.00 0.00 N ATOM 907 CA ALA A 58 -4.396 -4.836 1.765 1.00 0.00 C ATOM 908 C ALA A 58 -3.849 -4.926 0.348 1.00 0.00 C ATOM 909 O ALA A 58 -4.222 -5.822 -0.410 1.00 0.00 O ATOM 910 CB ALA A 58 -5.480 -3.776 1.845 1.00 0.00 C ATOM 0 H ALA A 58 -3.456 -3.699 3.254 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.834 -5.800 2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.265 -4.004 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.902 -3.762 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.052 -2.800 1.618 1.00 0.00 H new ATOM 916 N ILE A 59 -2.960 -4.005 0.000 1.00 0.00 N ATOM 917 CA ILE A 59 -2.341 -4.002 -1.316 1.00 0.00 C ATOM 918 C ILE A 59 -1.520 -5.270 -1.537 1.00 0.00 C ATOM 919 O ILE A 59 -1.664 -5.937 -2.564 1.00 0.00 O ATOM 920 CB ILE A 59 -1.444 -2.763 -1.519 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.281 -1.484 -1.420 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.725 -2.828 -2.859 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.477 -0.213 -1.580 1.00 0.00 C ATOM 0 H ILE A 59 -2.652 -3.250 0.613 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.148 -3.967 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.690 -2.751 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.058 -1.510 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.785 -1.465 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.099 -1.944 -2.979 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.102 -3.722 -2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.459 -2.865 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.139 0.649 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.717 -0.163 -0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.995 -0.208 -2.557 1.00 0.00 H new ATOM 935 N ILE A 60 -0.682 -5.618 -0.566 1.00 0.00 N ATOM 936 CA ILE A 60 0.178 -6.788 -0.693 1.00 0.00 C ATOM 937 C ILE A 60 -0.652 -8.067 -0.734 1.00 0.00 C ATOM 938 O ILE A 60 -0.357 -8.987 -1.494 1.00 0.00 O ATOM 939 CB ILE A 60 1.207 -6.874 0.453 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.029 -5.587 0.506 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.123 -8.075 0.253 1.00 0.00 C ATOM 942 CD1 ILE A 60 2.991 -5.524 1.675 1.00 0.00 C ATOM 0 H ILE A 60 -0.580 -5.110 0.312 1.00 0.00 H new ATOM 0 HA ILE A 60 0.723 -6.681 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 60 0.676 -6.997 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.592 -5.488 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.351 -4.735 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.844 -8.123 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.528 -8.988 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.653 -7.974 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.539 -4.582 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.433 -5.590 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.694 -6.354 1.613 1.00 0.00 H new ATOM 954 N ARG A 61 -1.695 -8.110 0.081 1.00 0.00 N ATOM 955 CA ARG A 61 -2.546 -9.288 0.182 1.00 0.00 C ATOM 956 C ARG A 61 -3.359 -9.491 -1.097 1.00 0.00 C ATOM 957 O ARG A 61 -3.643 -10.624 -1.486 1.00 0.00 O ATOM 958 CB ARG A 61 -3.481 -9.140 1.387 1.00 0.00 C ATOM 959 CG ARG A 61 -4.253 -10.396 1.751 1.00 0.00 C ATOM 960 CD ARG A 61 -5.114 -10.162 2.984 1.00 0.00 C ATOM 961 NE ARG A 61 -5.786 -11.379 3.432 1.00 0.00 N ATOM 962 CZ ARG A 61 -6.408 -11.497 4.609 1.00 0.00 C ATOM 963 NH1 ARG A 61 -6.443 -10.468 5.451 1.00 0.00 N ATOM 964 NH2 ARG A 61 -7.002 -12.638 4.935 1.00 0.00 N ATOM 0 H ARG A 61 -1.974 -7.338 0.686 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.913 -10.165 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.892 -8.829 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.192 -8.340 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.883 -10.697 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.558 -11.215 1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.491 -9.776 3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.860 -9.398 2.764 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.780 -12.187 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.995 -9.587 5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.918 -10.560 6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.984 -13.426 4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.477 -12.727 5.833 1.00 0.00 H new ATOM 978 N ASP A 62 -3.710 -8.392 -1.759 1.00 0.00 N ATOM 979 CA ASP A 62 -4.578 -8.451 -2.935 1.00 0.00 C ATOM 980 C ASP A 62 -3.792 -8.704 -4.216 1.00 0.00 C ATOM 981 O ASP A 62 -4.317 -9.258 -5.184 1.00 0.00 O ATOM 982 CB ASP A 62 -5.379 -7.152 -3.063 1.00 0.00 C ATOM 983 CG ASP A 62 -6.310 -7.138 -4.261 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.332 -7.857 -4.235 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.036 -6.396 -5.231 1.00 0.00 O ATOM 0 H ASP A 62 -3.409 -7.452 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.259 -9.291 -2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.964 -7.003 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.688 -6.313 -3.139 1.00 0.00 H new ATOM 990 N THR A 63 -2.535 -8.324 -4.209 1.00 0.00 N ATOM 991 CA THR A 63 -1.705 -8.437 -5.403 1.00 0.00 C ATOM 992 C THR A 63 -0.655 -9.527 -5.247 1.00 0.00 C ATOM 993 O THR A 63 -0.476 -10.082 -4.165 1.00 0.00 O ATOM 994 CB THR A 63 -1.002 -7.107 -5.731 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.192 -6.693 -4.625 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.014 -6.021 -6.062 1.00 0.00 C ATOM 0 H THR A 63 -2.059 -7.934 -3.396 1.00 0.00 H new ATOM 0 HA THR A 63 -2.374 -8.697 -6.223 1.00 0.00 H new ATOM 0 HB THR A 63 -0.369 -7.266 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.764 -6.315 -3.924 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.490 -5.093 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.605 -6.325 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.673 -5.866 -5.208 1.00 0.00 H new ATOM 1004 N VAL A 64 0.023 -9.844 -6.338 1.00 0.00 N ATOM 1005 CA VAL A 64 1.136 -10.778 -6.294 1.00 0.00 C ATOM 1006 C VAL A 64 2.431 -10.038 -6.628 1.00 0.00 C ATOM 1007 O VAL A 64 3.522 -10.449 -6.233 1.00 0.00 O ATOM 1008 CB VAL A 64 0.922 -11.968 -7.266 1.00 0.00 C ATOM 1009 CG1 VAL A 64 0.883 -11.498 -8.714 1.00 0.00 C ATOM 1010 CG2 VAL A 64 1.997 -13.032 -7.074 1.00 0.00 C ATOM 0 H VAL A 64 -0.178 -9.468 -7.265 1.00 0.00 H new ATOM 0 HA VAL A 64 1.201 -11.191 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.044 -12.415 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.732 -12.355 -9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.064 -10.791 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.826 -11.011 -8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.823 -13.854 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.978 -12.597 -7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.960 -13.406 -6.051 1.00 0.00 H new ATOM 1020 N GLU A 65 2.284 -8.917 -7.329 1.00 0.00 N ATOM 1021 CA GLU A 65 3.417 -8.087 -7.732 1.00 0.00 C ATOM 1022 C GLU A 65 4.160 -7.547 -6.515 1.00 0.00 C ATOM 1023 O GLU A 65 5.376 -7.671 -6.408 1.00 0.00 O ATOM 1024 CB GLU A 65 2.919 -6.915 -8.573 1.00 0.00 C ATOM 1025 CG GLU A 65 2.182 -7.331 -9.832 1.00 0.00 C ATOM 1026 CD GLU A 65 1.389 -6.192 -10.433 1.00 0.00 C ATOM 1027 OE1 GLU A 65 1.991 -5.336 -11.115 1.00 0.00 O ATOM 1028 OE2 GLU A 65 0.159 -6.146 -10.223 1.00 0.00 O ATOM 0 H GLU A 65 1.379 -8.559 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 65 4.101 -8.704 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.258 -6.298 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.770 -6.292 -8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.899 -7.699 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.510 -8.157 -9.601 1.00 0.00 H new ATOM 1035 N PHE A 66 3.407 -6.961 -5.593 1.00 0.00 N ATOM 1036 CA PHE A 66 3.985 -6.321 -4.419 1.00 0.00 C ATOM 1037 C PHE A 66 4.475 -7.353 -3.408 1.00 0.00 C ATOM 1038 O PHE A 66 5.273 -7.039 -2.525 1.00 0.00 O ATOM 1039 CB PHE A 66 2.962 -5.383 -3.779 1.00 0.00 C ATOM 1040 CG PHE A 66 2.578 -4.227 -4.660 1.00 0.00 C ATOM 1041 CD1 PHE A 66 3.311 -3.051 -4.639 1.00 0.00 C ATOM 1042 CD2 PHE A 66 1.485 -4.311 -5.505 1.00 0.00 C ATOM 1043 CE1 PHE A 66 2.961 -1.987 -5.447 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.130 -3.249 -6.314 1.00 0.00 C ATOM 1045 CZ PHE A 66 1.870 -2.085 -6.284 1.00 0.00 C ATOM 0 H PHE A 66 2.389 -6.916 -5.637 1.00 0.00 H new ATOM 0 HA PHE A 66 4.849 -5.739 -4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.067 -5.951 -3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.368 -4.998 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.165 -2.966 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.902 -5.219 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.543 -1.077 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.275 -3.330 -6.969 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.595 -1.253 -6.915 1.00 0.00 H new ATOM 1055 N SER A 67 3.996 -8.586 -3.542 1.00 0.00 N ATOM 1056 CA SER A 67 4.450 -9.672 -2.689 1.00 0.00 C ATOM 1057 C SER A 67 5.854 -10.108 -3.101 1.00 0.00 C ATOM 1058 O SER A 67 6.741 -10.257 -2.262 1.00 0.00 O ATOM 1059 CB SER A 67 3.484 -10.856 -2.772 1.00 0.00 C ATOM 1060 OG SER A 67 2.157 -10.452 -2.488 1.00 0.00 O ATOM 0 H SER A 67 3.295 -8.855 -4.233 1.00 0.00 H new ATOM 0 HA SER A 67 4.477 -9.319 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.528 -11.296 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.791 -11.630 -2.068 1.00 0.00 H new ATOM 0 HG SER A 67 1.647 -10.392 -3.323 1.00 0.00 H new ATOM 1066 N GLY A 68 6.048 -10.289 -4.403 1.00 0.00 N ATOM 1067 CA GLY A 68 7.338 -10.711 -4.910 1.00 0.00 C ATOM 1068 C GLY A 68 7.737 -12.075 -4.389 1.00 0.00 C ATOM 1069 O GLY A 68 8.717 -12.203 -3.652 1.00 0.00 O ATOM 0 H GLY A 68 5.332 -10.150 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.309 -10.734 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.095 -9.980 -4.627 1.00 0.00 H new ATOM 1073 N VAL A 69 6.966 -13.092 -4.754 1.00 0.00 N ATOM 1074 CA VAL A 69 7.233 -14.450 -4.304 1.00 0.00 C ATOM 1075 C VAL A 69 8.489 -15.013 -4.980 1.00 0.00 C ATOM 1076 O VAL A 69 8.451 -15.517 -6.102 1.00 0.00 O ATOM 1077 CB VAL A 69 6.008 -15.376 -4.526 1.00 0.00 C ATOM 1078 CG1 VAL A 69 5.522 -15.335 -5.969 1.00 0.00 C ATOM 1079 CG2 VAL A 69 6.323 -16.806 -4.099 1.00 0.00 C ATOM 0 H VAL A 69 6.151 -13.001 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 69 7.418 -14.413 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 69 5.199 -15.001 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.663 -15.997 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.232 -14.316 -6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.323 -15.663 -6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.449 -17.436 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.160 -17.185 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.586 -16.820 -3.041 1.00 0.00 H new ATOM 1089 N LYS A 70 9.609 -14.875 -4.288 1.00 0.00 N ATOM 1090 CA LYS A 70 10.893 -15.349 -4.783 1.00 0.00 C ATOM 1091 C LYS A 70 10.980 -16.870 -4.736 1.00 0.00 C ATOM 1092 O LYS A 70 11.464 -17.501 -5.677 1.00 0.00 O ATOM 1093 CB LYS A 70 12.020 -14.731 -3.950 1.00 0.00 C ATOM 1094 CG LYS A 70 13.346 -15.470 -4.044 1.00 0.00 C ATOM 1095 CD LYS A 70 14.375 -14.865 -3.106 1.00 0.00 C ATOM 1096 CE LYS A 70 15.504 -15.836 -2.804 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.009 -17.056 -2.108 1.00 0.00 N ATOM 0 H LYS A 70 9.654 -14.433 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 70 10.995 -15.043 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.169 -13.700 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.709 -14.699 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.198 -16.522 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.716 -15.431 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.785 -13.959 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.890 -14.571 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.997 -16.122 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.253 -15.342 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.744 -17.410 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.154 -16.822 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.782 -17.789 -2.811 1.00 0.00 H new ATOM 1111 N GLU A 71 10.508 -17.448 -3.640 1.00 0.00 N ATOM 1112 CA GLU A 71 10.618 -18.884 -3.422 1.00 0.00 C ATOM 1113 C GLU A 71 9.890 -19.656 -4.517 1.00 0.00 C ATOM 1114 O GLU A 71 10.500 -20.425 -5.262 1.00 0.00 O ATOM 1115 CB GLU A 71 10.062 -19.256 -2.047 1.00 0.00 C ATOM 1116 CG GLU A 71 10.576 -18.362 -0.928 1.00 0.00 C ATOM 1117 CD GLU A 71 12.075 -18.144 -0.995 1.00 0.00 C ATOM 1118 OE1 GLU A 71 12.830 -19.132 -0.897 1.00 0.00 O ATOM 1119 OE2 GLU A 71 12.501 -16.983 -1.166 1.00 0.00 O ATOM 0 H GLU A 71 10.044 -16.943 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 71 11.673 -19.156 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.974 -19.201 -2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.323 -20.291 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.070 -17.398 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.320 -18.807 0.034 1.00 0.00 H new ATOM 1126 N GLY A 72 8.591 -19.432 -4.620 1.00 0.00 N ATOM 1127 CA GLY A 72 7.817 -20.068 -5.661 1.00 0.00 C ATOM 1128 C GLY A 72 6.525 -20.659 -5.144 1.00 0.00 C ATOM 1129 O GLY A 72 6.444 -21.092 -3.991 1.00 0.00 O ATOM 0 H GLY A 72 8.059 -18.821 -4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.593 -19.339 -6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.413 -20.855 -6.123 1.00 0.00 H new ATOM 1133 N SER A 73 5.510 -20.641 -5.987 1.00 0.00 N ATOM 1134 CA SER A 73 4.229 -21.247 -5.680 1.00 0.00 C ATOM 1135 C SER A 73 3.627 -21.811 -6.964 1.00 0.00 C ATOM 1136 O SER A 73 2.966 -21.048 -7.706 1.00 0.00 O ATOM 1137 CB SER A 73 3.290 -20.220 -5.038 1.00 0.00 C ATOM 1138 OG SER A 73 3.872 -19.671 -3.864 1.00 0.00 O ATOM 1139 OXT SER A 73 3.877 -23.002 -7.253 1.00 0.00 O ATOM 0 H SER A 73 5.551 -20.204 -6.908 1.00 0.00 H new ATOM 0 HA SER A 73 4.369 -22.058 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.074 -19.423 -5.749 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.340 -20.693 -4.791 1.00 0.00 H new ATOM 0 HG SER A 73 3.258 -19.017 -3.470 1.00 0.00 H new TER 1145 SER A 73