USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=23 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0165) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.346 K(o=-0.35,f=-5.8!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -115:sc= 0.0356 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 29:sc= 0.669 USER MOD Single : A 24 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.56) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -0.0157 (180deg=-0.141) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HE2:sc= -0.117 F(o=-1.9!,f=-0.12) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -1.39 (180deg=-1.54) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 140:sc=0.000355 USER MOD Single : A 43 TYR OH : rot -130:sc= -1.27 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 100:sc= -2.59! USER MOD Single : A 48 GLN : amide:sc= 0.168 K(o=0.17,f=-3.9!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 63 THR OG1 : rot -64:sc= 0.954 USER MOD Single : A 67 SER OG : rot 103:sc= 0.0678 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= -0.0401 (180deg=-0.26) USER MOD Single : A 73 SER OG : rot 180:sc= -0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.404 3.076 13.816 1.00 0.00 N ATOM 2 CA MET A 1 12.770 4.230 14.499 1.00 0.00 C ATOM 3 C MET A 1 12.014 5.103 13.502 1.00 0.00 C ATOM 4 O MET A 1 10.814 4.921 13.290 1.00 0.00 O ATOM 5 CB MET A 1 13.815 5.082 15.235 1.00 0.00 C ATOM 6 CG MET A 1 14.505 4.365 16.382 1.00 0.00 C ATOM 7 SD MET A 1 13.355 3.822 17.659 1.00 0.00 S ATOM 8 CE MET A 1 14.490 3.062 18.817 1.00 0.00 C ATOM 0 H1 MET A 1 13.841 2.451 14.523 1.00 0.00 H new ATOM 0 H2 MET A 1 12.682 2.548 13.285 1.00 0.00 H new ATOM 0 H3 MET A 1 14.134 3.419 13.160 1.00 0.00 H new ATOM 0 HA MET A 1 12.066 3.829 15.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.569 5.410 14.520 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.330 5.979 15.621 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.043 3.501 15.993 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.247 5.029 16.826 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.934 2.673 19.670 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.018 2.245 18.326 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.210 3.804 19.161 1.00 0.00 H new ATOM 20 N THR A 2 12.724 6.039 12.876 1.00 0.00 N ATOM 21 CA THR A 2 12.113 6.972 11.940 1.00 0.00 C ATOM 22 C THR A 2 11.704 6.259 10.652 1.00 0.00 C ATOM 23 O THR A 2 10.713 6.618 10.013 1.00 0.00 O ATOM 24 CB THR A 2 13.081 8.125 11.623 1.00 0.00 C ATOM 25 OG1 THR A 2 13.654 8.611 12.840 1.00 0.00 O ATOM 26 CG2 THR A 2 12.368 9.267 10.921 1.00 0.00 C ATOM 0 H THR A 2 13.728 6.169 13.003 1.00 0.00 H new ATOM 0 HA THR A 2 11.217 7.383 12.406 1.00 0.00 H new ATOM 0 HB THR A 2 13.858 7.744 10.961 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.272 9.345 12.640 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.079 10.066 10.711 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.939 8.908 9.986 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.573 9.648 11.562 1.00 0.00 H new ATOM 34 N HIS A 3 12.469 5.241 10.281 1.00 0.00 N ATOM 35 CA HIS A 3 12.127 4.412 9.135 1.00 0.00 C ATOM 36 C HIS A 3 11.707 3.033 9.622 1.00 0.00 C ATOM 37 O HIS A 3 12.243 2.531 10.611 1.00 0.00 O ATOM 38 CB HIS A 3 13.295 4.311 8.137 1.00 0.00 C ATOM 39 CG HIS A 3 14.452 3.458 8.580 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.563 3.959 9.225 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.674 2.129 8.438 1.00 0.00 C ATOM 42 CE1 HIS A 3 16.415 2.976 9.455 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.898 1.859 8.987 1.00 0.00 N ATOM 0 H HIS A 3 13.330 4.970 10.757 1.00 0.00 H new ATOM 0 HA HIS A 3 11.297 4.877 8.604 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.913 3.915 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.664 5.316 7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.008 1.415 7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.373 3.072 9.944 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.339 0.940 9.027 1.00 0.00 H new ATOM 52 N HIS A 4 10.738 2.440 8.950 1.00 0.00 N ATOM 53 CA HIS A 4 10.239 1.134 9.340 1.00 0.00 C ATOM 54 C HIS A 4 10.349 0.145 8.193 1.00 0.00 C ATOM 55 O HIS A 4 9.864 0.400 7.090 1.00 0.00 O ATOM 56 CB HIS A 4 8.780 1.214 9.797 1.00 0.00 C ATOM 57 CG HIS A 4 8.235 -0.087 10.274 1.00 0.00 C ATOM 58 ND1 HIS A 4 8.736 -0.772 11.358 1.00 0.00 N ATOM 59 CD2 HIS A 4 7.225 -0.829 9.794 1.00 0.00 C ATOM 60 CE1 HIS A 4 8.048 -1.885 11.526 1.00 0.00 C ATOM 61 NE2 HIS A 4 7.124 -1.944 10.588 1.00 0.00 N ATOM 0 H HIS A 4 10.281 2.842 8.132 1.00 0.00 H new ATOM 0 HA HIS A 4 10.854 0.789 10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.698 1.949 10.598 1.00 0.00 H new ATOM 0 HB3 HIS A 4 8.168 1.574 8.970 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.606 -0.593 8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 4 8.213 -2.621 12.299 1.00 0.00 H new ATOM 0 HE2 HIS A 4 6.445 -2.696 10.471 1.00 0.00 H new ATOM 70 N THR A 5 10.989 -0.977 8.458 1.00 0.00 N ATOM 71 CA THR A 5 10.989 -2.086 7.525 1.00 0.00 C ATOM 72 C THR A 5 9.923 -3.084 7.958 1.00 0.00 C ATOM 73 O THR A 5 9.725 -3.314 9.150 1.00 0.00 O ATOM 74 CB THR A 5 12.357 -2.788 7.467 1.00 0.00 C ATOM 75 OG1 THR A 5 13.405 -1.808 7.474 1.00 0.00 O ATOM 76 CG2 THR A 5 12.477 -3.650 6.216 1.00 0.00 C ATOM 0 H THR A 5 11.517 -1.145 9.314 1.00 0.00 H new ATOM 0 HA THR A 5 10.777 -1.698 6.528 1.00 0.00 H new ATOM 0 HB THR A 5 12.447 -3.432 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.275 -2.259 7.439 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.453 -4.134 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.695 -4.409 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.369 -3.023 5.331 1.00 0.00 H new ATOM 84 N GLU A 6 9.230 -3.657 6.997 1.00 0.00 N ATOM 85 CA GLU A 6 8.114 -4.543 7.288 1.00 0.00 C ATOM 86 C GLU A 6 8.034 -5.644 6.239 1.00 0.00 C ATOM 87 O GLU A 6 8.332 -5.413 5.070 1.00 0.00 O ATOM 88 CB GLU A 6 6.815 -3.732 7.309 1.00 0.00 C ATOM 89 CG GLU A 6 5.589 -4.511 7.754 1.00 0.00 C ATOM 90 CD GLU A 6 5.595 -4.819 9.232 1.00 0.00 C ATOM 91 OE1 GLU A 6 5.450 -3.877 10.037 1.00 0.00 O ATOM 92 OE2 GLU A 6 5.720 -6.004 9.598 1.00 0.00 O ATOM 0 H GLU A 6 9.418 -3.527 6.003 1.00 0.00 H new ATOM 0 HA GLU A 6 8.263 -5.006 8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.947 -2.877 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.634 -3.335 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.693 -3.940 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.534 -5.444 7.193 1.00 0.00 H new ATOM 99 N VAL A 7 7.666 -6.839 6.664 1.00 0.00 N ATOM 100 CA VAL A 7 7.496 -7.954 5.748 1.00 0.00 C ATOM 101 C VAL A 7 6.090 -8.520 5.868 1.00 0.00 C ATOM 102 O VAL A 7 5.693 -8.987 6.934 1.00 0.00 O ATOM 103 CB VAL A 7 8.527 -9.075 6.004 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.260 -10.272 5.105 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.934 -8.556 5.777 1.00 0.00 C ATOM 0 H VAL A 7 7.478 -7.063 7.641 1.00 0.00 H new ATOM 0 HA VAL A 7 7.658 -7.573 4.740 1.00 0.00 H new ATOM 0 HB VAL A 7 8.430 -9.396 7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.999 -11.048 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.262 -10.662 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.328 -9.965 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.651 -9.356 5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.033 -8.210 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.131 -7.729 6.459 1.00 0.00 H new ATOM 115 N PHE A 8 5.334 -8.463 4.782 1.00 0.00 N ATOM 116 CA PHE A 8 3.983 -9.001 4.776 1.00 0.00 C ATOM 117 C PHE A 8 3.892 -10.151 3.785 1.00 0.00 C ATOM 118 O PHE A 8 3.924 -9.937 2.573 1.00 0.00 O ATOM 119 CB PHE A 8 2.973 -7.909 4.409 1.00 0.00 C ATOM 120 CG PHE A 8 1.539 -8.299 4.644 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.023 -8.335 5.930 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.705 -8.618 3.584 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.296 -8.678 6.153 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.616 -8.965 3.804 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.116 -8.994 5.091 1.00 0.00 C ATOM 0 H PHE A 8 5.632 -8.051 3.897 1.00 0.00 H new ATOM 0 HA PHE A 8 3.747 -9.369 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.195 -7.013 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.101 -7.648 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.660 -8.092 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.091 -8.595 2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.685 -8.699 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.256 -9.213 2.970 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.147 -9.264 5.265 1.00 0.00 H new ATOM 135 N GLU A 9 3.808 -11.371 4.315 1.00 0.00 N ATOM 136 CA GLU A 9 3.693 -12.591 3.509 1.00 0.00 C ATOM 137 C GLU A 9 4.860 -12.739 2.525 1.00 0.00 C ATOM 138 O GLU A 9 4.784 -13.512 1.569 1.00 0.00 O ATOM 139 CB GLU A 9 2.361 -12.609 2.752 1.00 0.00 C ATOM 140 CG GLU A 9 1.147 -12.463 3.656 1.00 0.00 C ATOM 141 CD GLU A 9 1.106 -13.510 4.751 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.646 -14.637 4.487 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.522 -13.204 5.891 1.00 0.00 O ATOM 0 H GLU A 9 3.818 -11.544 5.320 1.00 0.00 H new ATOM 0 HA GLU A 9 3.728 -13.438 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.358 -11.802 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.280 -13.544 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.152 -11.471 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.240 -12.535 3.055 1.00 0.00 H new ATOM 150 N GLY A 10 5.946 -12.022 2.784 1.00 0.00 N ATOM 151 CA GLY A 10 7.101 -12.080 1.909 1.00 0.00 C ATOM 152 C GLY A 10 7.346 -10.771 1.185 1.00 0.00 C ATOM 153 O GLY A 10 8.437 -10.538 0.659 1.00 0.00 O ATOM 0 H GLY A 10 6.048 -11.400 3.586 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.984 -12.339 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.959 -12.875 1.177 1.00 0.00 H new ATOM 157 N GLY A 11 6.331 -9.912 1.161 1.00 0.00 N ATOM 158 CA GLY A 11 6.452 -8.629 0.493 1.00 0.00 C ATOM 159 C GLY A 11 7.197 -7.620 1.339 1.00 0.00 C ATOM 160 O GLY A 11 7.021 -7.575 2.558 1.00 0.00 O ATOM 0 H GLY A 11 5.424 -10.083 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.972 -8.761 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.458 -8.245 0.261 1.00 0.00 H new ATOM 164 N THR A 12 8.020 -6.806 0.698 1.00 0.00 N ATOM 165 CA THR A 12 8.851 -5.854 1.405 1.00 0.00 C ATOM 166 C THR A 12 8.141 -4.515 1.543 1.00 0.00 C ATOM 167 O THR A 12 7.840 -3.861 0.547 1.00 0.00 O ATOM 168 CB THR A 12 10.182 -5.638 0.666 1.00 0.00 C ATOM 169 OG1 THR A 12 10.681 -6.893 0.183 1.00 0.00 O ATOM 170 CG2 THR A 12 11.213 -4.997 1.582 1.00 0.00 C ATOM 0 H THR A 12 8.128 -6.788 -0.316 1.00 0.00 H new ATOM 0 HA THR A 12 9.048 -6.263 2.396 1.00 0.00 H new ATOM 0 HB THR A 12 10.001 -4.969 -0.175 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.528 -6.749 -0.288 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.146 -4.854 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.843 -4.031 1.927 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.390 -5.645 2.440 1.00 0.00 H new ATOM 178 N ILE A 13 7.867 -4.123 2.774 1.00 0.00 N ATOM 179 CA ILE A 13 7.248 -2.841 3.049 1.00 0.00 C ATOM 180 C ILE A 13 8.305 -1.844 3.516 1.00 0.00 C ATOM 181 O ILE A 13 8.975 -2.058 4.531 1.00 0.00 O ATOM 182 CB ILE A 13 6.132 -2.977 4.111 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.972 -3.812 3.553 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.643 -1.606 4.570 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.846 -4.039 4.539 1.00 0.00 C ATOM 0 H ILE A 13 8.066 -4.680 3.605 1.00 0.00 H new ATOM 0 HA ILE A 13 6.792 -2.476 2.129 1.00 0.00 H new ATOM 0 HB ILE A 13 6.544 -3.490 4.980 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.572 -3.315 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.357 -4.779 3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.859 -1.731 5.317 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.474 -1.051 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.247 -1.056 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.066 -4.637 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.229 -4.565 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.432 -3.079 4.846 1.00 0.00 H new ATOM 197 N ASP A 14 8.449 -0.771 2.760 1.00 0.00 N ATOM 198 CA ASP A 14 9.423 0.265 3.058 1.00 0.00 C ATOM 199 C ASP A 14 8.705 1.513 3.547 1.00 0.00 C ATOM 200 O ASP A 14 8.089 2.233 2.759 1.00 0.00 O ATOM 201 CB ASP A 14 10.252 0.604 1.810 1.00 0.00 C ATOM 202 CG ASP A 14 11.006 -0.585 1.247 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.139 -0.847 1.708 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.480 -1.254 0.326 1.00 0.00 O ATOM 0 H ASP A 14 7.895 -0.592 1.922 1.00 0.00 H new ATOM 0 HA ASP A 14 10.095 -0.101 3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.591 1.003 1.041 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.963 1.392 2.058 1.00 0.00 H new ATOM 209 N ILE A 15 8.761 1.764 4.840 1.00 0.00 N ATOM 210 CA ILE A 15 8.051 2.895 5.407 1.00 0.00 C ATOM 211 C ILE A 15 9.015 3.969 5.887 1.00 0.00 C ATOM 212 O ILE A 15 9.942 3.698 6.651 1.00 0.00 O ATOM 213 CB ILE A 15 7.141 2.467 6.575 1.00 0.00 C ATOM 214 CG1 ILE A 15 6.092 1.467 6.089 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.473 3.679 7.209 1.00 0.00 C ATOM 216 CD1 ILE A 15 5.131 1.026 7.169 1.00 0.00 C ATOM 0 H ILE A 15 9.286 1.206 5.514 1.00 0.00 H new ATOM 0 HA ILE A 15 7.429 3.305 4.611 1.00 0.00 H new ATOM 0 HB ILE A 15 7.756 1.984 7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.527 1.915 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.598 0.590 5.684 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.835 3.354 8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.236 4.358 7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.868 4.193 6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.415 0.317 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.686 0.549 7.977 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.598 1.893 7.558 1.00 0.00 H new ATOM 228 N GLU A 16 8.788 5.181 5.417 1.00 0.00 N ATOM 229 CA GLU A 16 9.548 6.345 5.849 1.00 0.00 C ATOM 230 C GLU A 16 8.637 7.309 6.595 1.00 0.00 C ATOM 231 O GLU A 16 7.592 7.706 6.077 1.00 0.00 O ATOM 232 CB GLU A 16 10.164 7.052 4.643 1.00 0.00 C ATOM 233 CG GLU A 16 11.604 6.664 4.345 1.00 0.00 C ATOM 234 CD GLU A 16 12.596 7.319 5.286 1.00 0.00 C ATOM 235 OE1 GLU A 16 12.558 8.561 5.422 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.423 6.602 5.892 1.00 0.00 O ATOM 0 H GLU A 16 8.070 5.390 4.723 1.00 0.00 H new ATOM 0 HA GLU A 16 10.347 6.015 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.555 6.839 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.119 8.128 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.705 5.581 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.845 6.942 3.319 1.00 0.00 H new ATOM 243 N ASP A 17 9.011 7.644 7.823 1.00 0.00 N ATOM 244 CA ASP A 17 8.276 8.623 8.633 1.00 0.00 C ATOM 245 C ASP A 17 6.848 8.137 8.929 1.00 0.00 C ATOM 246 O ASP A 17 5.987 8.905 9.358 1.00 0.00 O ATOM 247 CB ASP A 17 8.259 9.993 7.931 1.00 0.00 C ATOM 248 CG ASP A 17 7.764 11.119 8.824 1.00 0.00 C ATOM 249 OD1 ASP A 17 8.522 11.547 9.722 1.00 0.00 O ATOM 250 OD2 ASP A 17 6.630 11.596 8.618 1.00 0.00 O ATOM 0 H ASP A 17 9.828 7.250 8.289 1.00 0.00 H new ATOM 0 HA ASP A 17 8.790 8.732 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.265 10.229 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.624 9.933 7.047 1.00 0.00 H new ATOM 255 N ASP A 18 6.620 6.843 8.698 1.00 0.00 N ATOM 256 CA ASP A 18 5.316 6.197 8.918 1.00 0.00 C ATOM 257 C ASP A 18 4.252 6.730 7.947 1.00 0.00 C ATOM 258 O ASP A 18 3.081 6.357 8.020 1.00 0.00 O ATOM 259 CB ASP A 18 4.860 6.368 10.378 1.00 0.00 C ATOM 260 CG ASP A 18 3.734 5.425 10.764 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.009 4.224 10.988 1.00 0.00 O ATOM 262 OD2 ASP A 18 2.576 5.882 10.877 1.00 0.00 O ATOM 0 H ASP A 18 7.337 6.206 8.351 1.00 0.00 H new ATOM 0 HA ASP A 18 5.438 5.132 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.710 6.200 11.040 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.534 7.397 10.533 1.00 0.00 H new ATOM 267 N THR A 19 4.670 7.577 7.007 1.00 0.00 N ATOM 268 CA THR A 19 3.744 8.177 6.051 1.00 0.00 C ATOM 269 C THR A 19 4.177 7.921 4.607 1.00 0.00 C ATOM 270 O THR A 19 3.345 7.621 3.744 1.00 0.00 O ATOM 271 CB THR A 19 3.610 9.694 6.290 1.00 0.00 C ATOM 272 OG1 THR A 19 4.889 10.252 6.622 1.00 0.00 O ATOM 273 CG2 THR A 19 2.619 9.984 7.404 1.00 0.00 C ATOM 0 H THR A 19 5.642 7.862 6.888 1.00 0.00 H new ATOM 0 HA THR A 19 2.775 7.704 6.208 1.00 0.00 H new ATOM 0 HB THR A 19 3.240 10.152 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.868 10.594 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.543 11.061 7.552 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.641 9.585 7.134 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.960 9.514 8.326 1.00 0.00 H new ATOM 281 N SER A 20 5.474 8.053 4.355 1.00 0.00 N ATOM 282 CA SER A 20 6.045 7.782 3.043 1.00 0.00 C ATOM 283 C SER A 20 5.880 6.299 2.703 1.00 0.00 C ATOM 284 O SER A 20 6.457 5.433 3.370 1.00 0.00 O ATOM 285 CB SER A 20 7.526 8.173 3.048 1.00 0.00 C ATOM 286 OG SER A 20 7.700 9.508 3.503 1.00 0.00 O ATOM 0 H SER A 20 6.157 8.350 5.052 1.00 0.00 H new ATOM 0 HA SER A 20 5.526 8.369 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.083 7.491 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.936 8.071 2.043 1.00 0.00 H new ATOM 0 HG SER A 20 8.654 9.733 3.499 1.00 0.00 H new ATOM 292 N LEU A 21 5.083 6.010 1.682 1.00 0.00 N ATOM 293 CA LEU A 21 4.724 4.634 1.361 1.00 0.00 C ATOM 294 C LEU A 21 5.515 4.125 0.159 1.00 0.00 C ATOM 295 O LEU A 21 5.368 4.627 -0.957 1.00 0.00 O ATOM 296 CB LEU A 21 3.215 4.553 1.069 1.00 0.00 C ATOM 297 CG LEU A 21 2.538 3.182 1.267 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.140 2.114 0.369 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.620 2.758 2.727 1.00 0.00 C ATOM 0 H LEU A 21 4.673 6.709 1.062 1.00 0.00 H new ATOM 0 HA LEU A 21 4.968 4.004 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.707 5.277 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.052 4.866 0.038 1.00 0.00 H new ATOM 0 HG LEU A 21 1.491 3.290 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.633 1.165 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.019 2.405 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.201 2.005 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.138 1.788 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.666 2.685 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.115 3.497 3.349 1.00 0.00 H new ATOM 311 N THR A 22 6.347 3.124 0.400 1.00 0.00 N ATOM 312 CA THR A 22 7.019 2.400 -0.667 1.00 0.00 C ATOM 313 C THR A 22 6.965 0.897 -0.393 1.00 0.00 C ATOM 314 O THR A 22 7.093 0.464 0.749 1.00 0.00 O ATOM 315 CB THR A 22 8.486 2.862 -0.836 1.00 0.00 C ATOM 316 OG1 THR A 22 9.044 3.249 0.430 1.00 0.00 O ATOM 317 CG2 THR A 22 8.584 4.026 -1.814 1.00 0.00 C ATOM 0 H THR A 22 6.575 2.792 1.337 1.00 0.00 H new ATOM 0 HA THR A 22 6.497 2.616 -1.599 1.00 0.00 H new ATOM 0 HB THR A 22 9.053 2.021 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.605 2.747 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.626 4.331 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.201 3.717 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.995 4.864 -1.442 1.00 0.00 H new ATOM 325 N ILE A 23 6.728 0.108 -1.426 1.00 0.00 N ATOM 326 CA ILE A 23 6.685 -1.340 -1.283 1.00 0.00 C ATOM 327 C ILE A 23 7.590 -1.989 -2.319 1.00 0.00 C ATOM 328 O ILE A 23 7.406 -1.789 -3.521 1.00 0.00 O ATOM 329 CB ILE A 23 5.247 -1.892 -1.436 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.321 -1.291 -0.372 1.00 0.00 C ATOM 331 CG2 ILE A 23 5.246 -3.413 -1.341 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.881 -1.739 -0.492 1.00 0.00 C ATOM 0 H ILE A 23 6.562 0.444 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 23 7.033 -1.582 -0.279 1.00 0.00 H new ATOM 0 HB ILE A 23 4.874 -1.605 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.695 -1.561 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.361 -0.204 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.227 -3.784 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.870 -3.827 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.640 -3.717 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.288 -1.272 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.488 -1.445 -1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.828 -2.823 -0.392 1.00 0.00 H new ATOM 344 N ASN A 24 8.582 -2.747 -1.847 1.00 0.00 N ATOM 345 CA ASN A 24 9.549 -3.415 -2.723 1.00 0.00 C ATOM 346 C ASN A 24 10.325 -2.382 -3.554 1.00 0.00 C ATOM 347 O ASN A 24 10.891 -2.692 -4.602 1.00 0.00 O ATOM 348 CB ASN A 24 8.821 -4.440 -3.615 1.00 0.00 C ATOM 349 CG ASN A 24 9.755 -5.377 -4.369 1.00 0.00 C ATOM 350 OD1 ASN A 24 10.086 -5.146 -5.531 1.00 0.00 O ATOM 351 ND2 ASN A 24 10.184 -6.448 -3.714 1.00 0.00 N ATOM 0 H ASN A 24 8.738 -2.915 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 24 10.277 -3.953 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.150 -5.034 -2.995 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.201 -3.905 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.808 -7.111 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.889 -6.609 -2.751 1.00 0.00 H new ATOM 358 N GLY A 25 10.371 -1.154 -3.050 1.00 0.00 N ATOM 359 CA GLY A 25 11.077 -0.087 -3.739 1.00 0.00 C ATOM 360 C GLY A 25 10.159 0.771 -4.594 1.00 0.00 C ATOM 361 O GLY A 25 10.551 1.842 -5.059 1.00 0.00 O ATOM 0 H GLY A 25 9.930 -0.876 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.577 0.545 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.854 -0.520 -4.370 1.00 0.00 H new ATOM 365 N LYS A 26 8.938 0.302 -4.801 1.00 0.00 N ATOM 366 CA LYS A 26 7.970 1.002 -5.640 1.00 0.00 C ATOM 367 C LYS A 26 7.028 1.842 -4.781 1.00 0.00 C ATOM 368 O LYS A 26 6.474 1.348 -3.799 1.00 0.00 O ATOM 369 CB LYS A 26 7.181 -0.026 -6.462 1.00 0.00 C ATOM 370 CG LYS A 26 6.069 0.559 -7.317 1.00 0.00 C ATOM 371 CD LYS A 26 5.350 -0.529 -8.101 1.00 0.00 C ATOM 372 CE LYS A 26 4.196 0.026 -8.922 1.00 0.00 C ATOM 373 NZ LYS A 26 4.645 1.036 -9.915 1.00 0.00 N ATOM 0 H LYS A 26 8.589 -0.567 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 26 8.496 1.676 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.875 -0.562 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.749 -0.760 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.356 1.085 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.485 1.294 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.059 -1.027 -8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.973 -1.284 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.695 -0.792 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.462 0.477 -8.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.861 1.260 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.944 1.900 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.445 0.655 -10.460 1.00 0.00 H new ATOM 387 N GLU A 27 6.853 3.110 -5.137 1.00 0.00 N ATOM 388 CA GLU A 27 5.957 3.980 -4.385 1.00 0.00 C ATOM 389 C GLU A 27 4.515 3.732 -4.808 1.00 0.00 C ATOM 390 O GLU A 27 4.234 3.487 -5.984 1.00 0.00 O ATOM 391 CB GLU A 27 6.327 5.460 -4.557 1.00 0.00 C ATOM 392 CG GLU A 27 6.102 6.013 -5.954 1.00 0.00 C ATOM 393 CD GLU A 27 6.489 7.474 -6.063 1.00 0.00 C ATOM 394 OE1 GLU A 27 5.794 8.329 -5.472 1.00 0.00 O ATOM 395 OE2 GLU A 27 7.490 7.778 -6.745 1.00 0.00 O ATOM 0 H GLU A 27 7.313 3.554 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 27 6.063 3.741 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.745 6.050 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.377 5.591 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.682 5.431 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.052 5.896 -6.224 1.00 0.00 H new ATOM 402 N ILE A 28 3.610 3.775 -3.846 1.00 0.00 N ATOM 403 CA ILE A 28 2.214 3.452 -4.100 1.00 0.00 C ATOM 404 C ILE A 28 1.358 4.711 -4.127 1.00 0.00 C ATOM 405 O ILE A 28 1.412 5.524 -3.203 1.00 0.00 O ATOM 406 CB ILE A 28 1.664 2.478 -3.030 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.477 1.177 -3.021 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.186 2.185 -3.264 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.480 0.442 -4.344 1.00 0.00 C ATOM 0 H ILE A 28 3.816 4.031 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 28 2.166 2.969 -5.076 1.00 0.00 H new ATOM 0 HB ILE A 28 1.762 2.956 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.506 1.406 -2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.077 0.517 -2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.174 1.498 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.381 3.114 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.056 1.733 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.076 -0.466 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.458 0.180 -4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.908 1.082 -5.115 1.00 0.00 H new ATOM 421 N SER A 29 0.592 4.880 -5.201 1.00 0.00 N ATOM 422 CA SER A 29 -0.364 5.974 -5.288 1.00 0.00 C ATOM 423 C SER A 29 -1.425 5.840 -4.197 1.00 0.00 C ATOM 424 O SER A 29 -2.326 5.000 -4.278 1.00 0.00 O ATOM 425 CB SER A 29 -1.020 6.006 -6.666 1.00 0.00 C ATOM 426 OG SER A 29 -0.060 6.239 -7.688 1.00 0.00 O ATOM 0 H SER A 29 0.616 4.273 -6.021 1.00 0.00 H new ATOM 0 HA SER A 29 0.172 6.912 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.529 5.060 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.779 6.788 -6.692 1.00 0.00 H new ATOM 0 HG SER A 29 -0.507 6.253 -8.560 1.00 0.00 H new ATOM 432 N TYR A 30 -1.290 6.660 -3.169 1.00 0.00 N ATOM 433 CA TYR A 30 -2.174 6.612 -2.018 1.00 0.00 C ATOM 434 C TYR A 30 -3.126 7.788 -2.000 1.00 0.00 C ATOM 435 O TYR A 30 -3.027 8.706 -2.813 1.00 0.00 O ATOM 436 CB TYR A 30 -1.366 6.636 -0.713 1.00 0.00 C ATOM 437 CG TYR A 30 -0.127 7.520 -0.774 1.00 0.00 C ATOM 438 CD1 TYR A 30 -0.221 8.876 -1.074 1.00 0.00 C ATOM 439 CD2 TYR A 30 1.139 6.992 -0.540 1.00 0.00 C ATOM 440 CE1 TYR A 30 0.904 9.677 -1.139 1.00 0.00 C ATOM 441 CE2 TYR A 30 2.270 7.790 -0.603 1.00 0.00 C ATOM 442 CZ TYR A 30 2.145 9.131 -0.903 1.00 0.00 C ATOM 443 OH TYR A 30 3.262 9.933 -0.961 1.00 0.00 O ATOM 0 H TYR A 30 -0.566 7.376 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.742 5.685 -2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.009 6.983 0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.063 5.619 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.192 9.311 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.242 5.943 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.809 10.727 -1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.245 7.364 -0.418 1.00 0.00 H new ATOM 0 HH TYR A 30 4.060 9.397 -0.769 1.00 0.00 H new ATOM 453 N VAL A 31 -4.024 7.753 -1.033 1.00 0.00 N ATOM 454 CA VAL A 31 -4.903 8.871 -0.762 1.00 0.00 C ATOM 455 C VAL A 31 -4.453 9.543 0.528 1.00 0.00 C ATOM 456 O VAL A 31 -4.963 9.251 1.609 1.00 0.00 O ATOM 457 CB VAL A 31 -6.385 8.440 -0.641 1.00 0.00 C ATOM 458 CG1 VAL A 31 -7.294 9.655 -0.496 1.00 0.00 C ATOM 459 CG2 VAL A 31 -6.800 7.603 -1.841 1.00 0.00 C ATOM 0 H VAL A 31 -4.163 6.952 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.841 9.564 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.487 7.830 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.330 9.326 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.017 10.212 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.186 10.297 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.845 7.310 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.676 8.188 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.177 6.710 -1.895 1.00 0.00 H new ATOM 469 N HIS A 32 -3.438 10.389 0.420 1.00 0.00 N ATOM 470 CA HIS A 32 -2.906 11.083 1.584 1.00 0.00 C ATOM 471 C HIS A 32 -3.729 12.329 1.872 1.00 0.00 C ATOM 472 O HIS A 32 -3.492 13.389 1.286 1.00 0.00 O ATOM 473 CB HIS A 32 -1.432 11.448 1.380 1.00 0.00 C ATOM 474 CG HIS A 32 -0.485 10.620 2.198 1.00 0.00 C ATOM 475 ND1 HIS A 32 -0.306 9.275 2.271 1.00 0.00 N flip ATOM 476 CD2 HIS A 32 0.435 11.173 3.061 1.00 0.00 C flip ATOM 477 CE1 HIS A 32 0.710 9.050 3.170 1.00 0.00 C flip ATOM 478 NE2 HIS A 32 1.136 10.213 3.629 1.00 0.00 N flip ATOM 0 H HIS A 32 -2.968 10.611 -0.458 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.970 10.413 2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.182 11.334 0.325 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.290 12.499 1.630 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -0.827 8.566 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.562 12.230 3.244 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.096 8.082 3.454 1.00 0.00 H new ATOM 487 N ASP A 33 -4.723 12.166 2.745 1.00 0.00 N ATOM 488 CA ASP A 33 -5.646 13.239 3.124 1.00 0.00 C ATOM 489 C ASP A 33 -6.595 13.571 1.965 1.00 0.00 C ATOM 490 O ASP A 33 -6.358 13.177 0.820 1.00 0.00 O ATOM 491 CB ASP A 33 -4.887 14.478 3.602 1.00 0.00 C ATOM 492 CG ASP A 33 -5.804 15.518 4.204 1.00 0.00 C ATOM 493 OD1 ASP A 33 -6.316 15.293 5.320 1.00 0.00 O ATOM 494 OD2 ASP A 33 -6.028 16.555 3.558 1.00 0.00 O ATOM 0 H ASP A 33 -4.913 11.280 3.213 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.251 12.888 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.143 14.182 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.346 14.916 2.763 1.00 0.00 H new ATOM 499 N ALA A 34 -7.668 14.294 2.256 1.00 0.00 N ATOM 500 CA ALA A 34 -8.752 14.466 1.297 1.00 0.00 C ATOM 501 C ALA A 34 -8.768 15.857 0.663 1.00 0.00 C ATOM 502 O ALA A 34 -9.810 16.301 0.178 1.00 0.00 O ATOM 503 CB ALA A 34 -10.080 14.187 1.982 1.00 0.00 C ATOM 0 H ALA A 34 -7.811 14.770 3.147 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.588 13.756 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.892 14.315 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.087 13.165 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.214 14.881 2.812 1.00 0.00 H new ATOM 509 N VAL A 35 -7.629 16.550 0.666 1.00 0.00 N ATOM 510 CA VAL A 35 -7.523 17.832 -0.036 1.00 0.00 C ATOM 511 C VAL A 35 -7.850 17.651 -1.516 1.00 0.00 C ATOM 512 O VAL A 35 -8.757 18.290 -2.051 1.00 0.00 O ATOM 513 CB VAL A 35 -6.112 18.461 0.094 1.00 0.00 C ATOM 514 CG1 VAL A 35 -5.980 19.696 -0.790 1.00 0.00 C ATOM 515 CG2 VAL A 35 -5.814 18.820 1.539 1.00 0.00 C ATOM 0 H VAL A 35 -6.776 16.252 1.140 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.240 18.507 0.431 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.386 17.719 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.981 20.117 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.143 19.417 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.721 20.437 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.819 19.260 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.553 19.538 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.856 17.921 2.153 1.00 0.00 H new ATOM 525 N LYS A 36 -7.112 16.762 -2.165 1.00 0.00 N ATOM 526 CA LYS A 36 -7.344 16.449 -3.563 1.00 0.00 C ATOM 527 C LYS A 36 -8.134 15.156 -3.685 1.00 0.00 C ATOM 528 O LYS A 36 -9.059 15.060 -4.495 1.00 0.00 O ATOM 529 CB LYS A 36 -6.016 16.299 -4.303 1.00 0.00 C ATOM 530 CG LYS A 36 -5.230 17.591 -4.443 1.00 0.00 C ATOM 531 CD LYS A 36 -3.856 17.325 -5.034 1.00 0.00 C ATOM 532 CE LYS A 36 -3.105 18.612 -5.330 1.00 0.00 C ATOM 533 NZ LYS A 36 -1.696 18.347 -5.719 1.00 0.00 N ATOM 0 H LYS A 36 -6.343 16.243 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.912 17.266 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.401 15.568 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.211 15.896 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.776 18.287 -5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.126 18.066 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.275 16.717 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.962 16.748 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.609 19.152 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.125 19.256 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.214 19.248 -5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.209 17.854 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.677 17.753 -6.573 1.00 0.00 H new ATOM 547 N ASN A 37 -7.752 14.178 -2.862 1.00 0.00 N ATOM 548 CA ASN A 37 -8.320 12.828 -2.891 1.00 0.00 C ATOM 549 C ASN A 37 -7.923 12.124 -4.185 1.00 0.00 C ATOM 550 O ASN A 37 -7.032 11.278 -4.184 1.00 0.00 O ATOM 551 CB ASN A 37 -9.847 12.853 -2.732 1.00 0.00 C ATOM 552 CG ASN A 37 -10.425 11.486 -2.401 1.00 0.00 C ATOM 553 OD1 ASN A 37 -10.569 11.130 -1.231 1.00 0.00 O ATOM 554 ND2 ASN A 37 -10.770 10.715 -3.424 1.00 0.00 N ATOM 0 H ASN A 37 -7.033 14.301 -2.149 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.916 12.272 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.115 13.557 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.298 13.220 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.170 9.792 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.635 11.045 -4.380 1.00 0.00 H new ATOM 561 N LYS A 38 -8.569 12.513 -5.284 1.00 0.00 N ATOM 562 CA LYS A 38 -8.255 11.992 -6.613 1.00 0.00 C ATOM 563 C LYS A 38 -8.414 10.478 -6.682 1.00 0.00 C ATOM 564 O LYS A 38 -7.437 9.755 -6.887 1.00 0.00 O ATOM 565 CB LYS A 38 -6.838 12.404 -7.036 1.00 0.00 C ATOM 566 CG LYS A 38 -6.710 13.882 -7.372 1.00 0.00 C ATOM 567 CD LYS A 38 -7.492 14.239 -8.629 1.00 0.00 C ATOM 568 CE LYS A 38 -6.661 14.070 -9.896 1.00 0.00 C ATOM 569 NZ LYS A 38 -6.039 12.723 -10.003 1.00 0.00 N ATOM 0 H LYS A 38 -9.325 13.198 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.970 12.429 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.143 12.161 -6.233 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.541 11.815 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.072 14.479 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.659 14.135 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.380 13.610 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.837 15.271 -8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.295 14.243 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.879 14.829 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.586 12.623 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.324 12.610 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.771 11.993 -9.894 1.00 0.00 H new ATOM 583 N TRP A 39 -9.659 10.020 -6.534 1.00 0.00 N ATOM 584 CA TRP A 39 -9.989 8.596 -6.574 1.00 0.00 C ATOM 585 C TRP A 39 -9.379 7.877 -5.364 1.00 0.00 C ATOM 586 O TRP A 39 -8.787 8.506 -4.492 1.00 0.00 O ATOM 587 CB TRP A 39 -9.516 7.986 -7.909 1.00 0.00 C ATOM 588 CG TRP A 39 -10.029 6.601 -8.189 1.00 0.00 C ATOM 589 CD1 TRP A 39 -9.282 5.496 -8.477 1.00 0.00 C ATOM 590 CD2 TRP A 39 -11.399 6.174 -8.204 1.00 0.00 C ATOM 591 NE1 TRP A 39 -10.098 4.411 -8.673 1.00 0.00 N ATOM 592 CE2 TRP A 39 -11.401 4.799 -8.507 1.00 0.00 C ATOM 593 CE3 TRP A 39 -12.622 6.817 -7.984 1.00 0.00 C ATOM 594 CZ2 TRP A 39 -12.578 4.058 -8.604 1.00 0.00 C ATOM 595 CZ3 TRP A 39 -13.788 6.080 -8.081 1.00 0.00 C ATOM 596 CH2 TRP A 39 -13.758 4.712 -8.383 1.00 0.00 C ATOM 0 H TRP A 39 -10.465 10.626 -6.383 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.070 8.469 -6.516 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -9.825 8.643 -8.722 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -8.426 7.962 -7.915 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.204 5.478 -8.541 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.785 3.468 -8.905 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -12.655 7.869 -7.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.558 3.005 -8.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -14.738 6.567 -7.921 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -14.686 4.163 -8.442 1.00 0.00 H new ATOM 607 N SER A 40 -9.566 6.573 -5.289 1.00 0.00 N ATOM 608 CA SER A 40 -9.027 5.789 -4.196 1.00 0.00 C ATOM 609 C SER A 40 -7.724 5.114 -4.625 1.00 0.00 C ATOM 610 O SER A 40 -7.335 5.194 -5.792 1.00 0.00 O ATOM 611 CB SER A 40 -10.056 4.748 -3.760 1.00 0.00 C ATOM 612 OG SER A 40 -11.321 5.350 -3.516 1.00 0.00 O ATOM 0 H SER A 40 -10.090 6.032 -5.977 1.00 0.00 H new ATOM 0 HA SER A 40 -8.809 6.444 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.156 3.985 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.709 4.245 -2.857 1.00 0.00 H new ATOM 0 HG SER A 40 -11.963 4.663 -3.240 1.00 0.00 H new ATOM 618 N SER A 41 -7.048 4.466 -3.679 1.00 0.00 N ATOM 619 CA SER A 41 -5.842 3.716 -3.964 1.00 0.00 C ATOM 620 C SER A 41 -6.108 2.692 -5.075 1.00 0.00 C ATOM 621 O SER A 41 -6.787 1.688 -4.858 1.00 0.00 O ATOM 622 CB SER A 41 -5.403 3.026 -2.682 1.00 0.00 C ATOM 623 OG SER A 41 -5.342 3.959 -1.618 1.00 0.00 O ATOM 0 H SER A 41 -7.326 4.450 -2.698 1.00 0.00 H new ATOM 0 HA SER A 41 -5.052 4.381 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.101 2.226 -2.434 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.426 2.564 -2.826 1.00 0.00 H new ATOM 0 HG SER A 41 -5.690 3.546 -0.800 1.00 0.00 H new ATOM 629 N ARG A 42 -5.567 2.956 -6.263 1.00 0.00 N ATOM 630 CA ARG A 42 -5.922 2.198 -7.469 1.00 0.00 C ATOM 631 C ARG A 42 -5.442 0.753 -7.421 1.00 0.00 C ATOM 632 O ARG A 42 -5.825 -0.063 -8.257 1.00 0.00 O ATOM 633 CB ARG A 42 -5.360 2.882 -8.713 1.00 0.00 C ATOM 634 CG ARG A 42 -5.783 4.334 -8.838 1.00 0.00 C ATOM 635 CD ARG A 42 -5.617 4.843 -10.260 1.00 0.00 C ATOM 636 NE ARG A 42 -6.437 4.080 -11.204 1.00 0.00 N ATOM 637 CZ ARG A 42 -6.421 4.261 -12.526 1.00 0.00 C ATOM 638 NH1 ARG A 42 -5.642 5.190 -13.067 1.00 0.00 N ATOM 639 NH2 ARG A 42 -7.186 3.508 -13.309 1.00 0.00 N ATOM 0 H ARG A 42 -4.878 3.692 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.011 2.179 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.272 2.828 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.687 2.337 -9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.824 4.438 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.189 4.947 -8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.894 5.896 -10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.569 4.776 -10.551 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.059 3.365 -10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.051 5.770 -12.471 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.634 5.323 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.786 2.792 -12.900 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.174 3.646 -14.319 1.00 0.00 H new ATOM 653 N TYR A 43 -4.611 0.441 -6.444 1.00 0.00 N ATOM 654 CA TYR A 43 -4.101 -0.915 -6.275 1.00 0.00 C ATOM 655 C TYR A 43 -5.135 -1.804 -5.587 1.00 0.00 C ATOM 656 O TYR A 43 -4.998 -3.026 -5.559 1.00 0.00 O ATOM 657 CB TYR A 43 -2.800 -0.899 -5.467 1.00 0.00 C ATOM 658 CG TYR A 43 -1.641 -0.249 -6.188 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.539 1.135 -6.276 1.00 0.00 C ATOM 660 CD2 TYR A 43 -0.650 -1.019 -6.781 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.480 1.732 -6.935 1.00 0.00 C ATOM 662 CE2 TYR A 43 0.412 -0.432 -7.441 1.00 0.00 C ATOM 663 CZ TYR A 43 0.494 0.944 -7.516 1.00 0.00 C ATOM 664 OH TYR A 43 1.549 1.531 -8.176 1.00 0.00 O ATOM 0 H TYR A 43 -4.271 1.108 -5.751 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.898 -1.326 -7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.973 -0.373 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.529 -1.924 -5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.299 1.754 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.710 -2.096 -6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.415 2.808 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.175 -1.047 -7.896 1.00 0.00 H new ATOM 0 HH TYR A 43 1.651 1.120 -9.060 1.00 0.00 H new ATOM 674 N LEU A 44 -6.171 -1.178 -5.043 1.00 0.00 N ATOM 675 CA LEU A 44 -7.202 -1.893 -4.300 1.00 0.00 C ATOM 676 C LEU A 44 -8.575 -1.696 -4.940 1.00 0.00 C ATOM 677 O LEU A 44 -9.288 -0.743 -4.618 1.00 0.00 O ATOM 678 CB LEU A 44 -7.246 -1.447 -2.834 1.00 0.00 C ATOM 679 CG LEU A 44 -5.968 -1.685 -2.027 1.00 0.00 C ATOM 680 CD1 LEU A 44 -4.971 -0.560 -2.252 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.295 -1.825 -0.550 1.00 0.00 C ATOM 0 H LEU A 44 -6.320 -0.171 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.946 -2.952 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.479 -0.383 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.067 -1.967 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.512 -2.614 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.070 -0.750 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.714 -0.508 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.413 0.386 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.376 -1.994 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.775 -0.913 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.969 -2.669 -0.405 1.00 0.00 H new ATOM 693 N PRO A 45 -8.940 -2.562 -5.899 1.00 0.00 N ATOM 694 CA PRO A 45 -10.224 -2.476 -6.604 1.00 0.00 C ATOM 695 C PRO A 45 -11.422 -2.647 -5.668 1.00 0.00 C ATOM 696 O PRO A 45 -11.802 -3.771 -5.331 1.00 0.00 O ATOM 697 CB PRO A 45 -10.168 -3.627 -7.621 1.00 0.00 C ATOM 698 CG PRO A 45 -8.725 -3.992 -7.717 1.00 0.00 C ATOM 699 CD PRO A 45 -8.139 -3.702 -6.366 1.00 0.00 C ATOM 0 HA PRO A 45 -10.361 -1.497 -7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.768 -4.475 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.561 -3.317 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.604 -5.043 -7.978 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.226 -3.411 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.225 -4.558 -5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.080 -3.452 -6.430 1.00 0.00 H new ATOM 707 N TYR A 46 -11.983 -1.512 -5.244 1.00 0.00 N ATOM 708 CA TYR A 46 -13.158 -1.448 -4.377 1.00 0.00 C ATOM 709 C TYR A 46 -13.108 -2.450 -3.219 1.00 0.00 C ATOM 710 O TYR A 46 -14.000 -3.279 -3.045 1.00 0.00 O ATOM 711 CB TYR A 46 -14.469 -1.552 -5.184 1.00 0.00 C ATOM 712 CG TYR A 46 -14.615 -2.756 -6.107 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.183 -2.701 -7.430 1.00 0.00 C ATOM 714 CD2 TYR A 46 -15.206 -3.935 -5.664 1.00 0.00 C ATOM 715 CE1 TYR A 46 -14.335 -3.783 -8.278 1.00 0.00 C ATOM 716 CE2 TYR A 46 -15.356 -5.021 -6.506 1.00 0.00 C ATOM 717 CZ TYR A 46 -14.920 -4.940 -7.809 1.00 0.00 C ATOM 718 OH TYR A 46 -15.084 -6.020 -8.650 1.00 0.00 O ATOM 0 H TYR A 46 -11.624 -0.593 -5.501 1.00 0.00 H new ATOM 0 HA TYR A 46 -13.141 -0.462 -3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -15.301 -1.561 -4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.570 -0.649 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -13.721 -1.798 -7.800 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -15.554 -4.003 -4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -13.997 -3.722 -9.302 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -15.813 -5.929 -6.143 1.00 0.00 H new ATOM 0 HH TYR A 46 -15.511 -6.754 -8.161 1.00 0.00 H new ATOM 728 N THR A 47 -12.055 -2.362 -2.422 1.00 0.00 N ATOM 729 CA THR A 47 -11.931 -3.184 -1.231 1.00 0.00 C ATOM 730 C THR A 47 -12.181 -2.344 0.017 1.00 0.00 C ATOM 731 O THR A 47 -12.181 -1.109 -0.046 1.00 0.00 O ATOM 732 CB THR A 47 -10.539 -3.838 -1.143 1.00 0.00 C ATOM 733 OG1 THR A 47 -9.523 -2.837 -1.266 1.00 0.00 O ATOM 734 CG2 THR A 47 -10.361 -4.889 -2.230 1.00 0.00 C ATOM 0 H THR A 47 -11.272 -1.727 -2.580 1.00 0.00 H new ATOM 0 HA THR A 47 -12.678 -3.975 -1.294 1.00 0.00 H new ATOM 0 HB THR A 47 -10.452 -4.328 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.182 -2.606 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.370 -5.335 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.119 -5.664 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.466 -4.421 -3.209 1.00 0.00 H new ATOM 742 N GLN A 48 -12.403 -3.005 1.146 1.00 0.00 N ATOM 743 CA GLN A 48 -12.661 -2.307 2.397 1.00 0.00 C ATOM 744 C GLN A 48 -11.387 -2.197 3.234 1.00 0.00 C ATOM 745 O GLN A 48 -10.629 -3.162 3.368 1.00 0.00 O ATOM 746 CB GLN A 48 -13.778 -2.994 3.206 1.00 0.00 C ATOM 747 CG GLN A 48 -13.503 -4.452 3.568 1.00 0.00 C ATOM 748 CD GLN A 48 -13.762 -5.413 2.420 1.00 0.00 C ATOM 749 OE1 GLN A 48 -12.872 -5.692 1.617 1.00 0.00 O ATOM 750 NE2 GLN A 48 -14.977 -5.935 2.342 1.00 0.00 N ATOM 0 H GLN A 48 -12.409 -4.022 1.220 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.998 -1.301 2.146 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.941 -2.431 4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.704 -2.945 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.466 -4.551 3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.127 -4.733 4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.687 -5.678 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.202 -6.594 1.597 1.00 0.00 H new ATOM 759 N TYR A 49 -11.149 -1.007 3.772 1.00 0.00 N ATOM 760 CA TYR A 49 -9.992 -0.752 4.626 1.00 0.00 C ATOM 761 C TYR A 49 -10.237 0.476 5.494 1.00 0.00 C ATOM 762 O TYR A 49 -11.264 1.144 5.358 1.00 0.00 O ATOM 763 CB TYR A 49 -8.720 -0.566 3.788 1.00 0.00 C ATOM 764 CG TYR A 49 -8.892 0.368 2.607 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.860 1.748 2.768 1.00 0.00 C ATOM 766 CD2 TYR A 49 -9.091 -0.137 1.326 1.00 0.00 C ATOM 767 CE1 TYR A 49 -9.023 2.595 1.689 1.00 0.00 C ATOM 768 CE2 TYR A 49 -9.254 0.704 0.245 1.00 0.00 C ATOM 769 CZ TYR A 49 -9.220 2.067 0.431 1.00 0.00 C ATOM 770 OH TYR A 49 -9.389 2.907 -0.648 1.00 0.00 O ATOM 0 H TYR A 49 -11.749 -0.194 3.630 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.849 -1.618 5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.927 -0.182 4.430 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.391 -1.539 3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.705 2.165 3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.118 -1.206 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.996 3.665 1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.408 0.295 -0.743 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.515 2.374 -1.461 1.00 0.00 H new ATOM 780 N ASP A 50 -9.297 0.778 6.379 1.00 0.00 N ATOM 781 CA ASP A 50 -9.454 1.918 7.279 1.00 0.00 C ATOM 782 C ASP A 50 -8.132 2.637 7.530 1.00 0.00 C ATOM 783 O ASP A 50 -8.044 3.859 7.388 1.00 0.00 O ATOM 784 CB ASP A 50 -10.053 1.463 8.613 1.00 0.00 C ATOM 785 CG ASP A 50 -10.168 2.598 9.614 1.00 0.00 C ATOM 786 OD1 ASP A 50 -11.215 3.280 9.640 1.00 0.00 O ATOM 787 OD2 ASP A 50 -9.217 2.804 10.396 1.00 0.00 O ATOM 0 H ASP A 50 -8.427 0.258 6.495 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.130 2.621 6.792 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.040 1.036 8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.434 0.672 9.035 1.00 0.00 H new ATOM 792 N SER A 51 -7.105 1.879 7.883 1.00 0.00 N ATOM 793 CA SER A 51 -5.841 2.465 8.322 1.00 0.00 C ATOM 794 C SER A 51 -4.829 2.508 7.177 1.00 0.00 C ATOM 795 O SER A 51 -5.020 1.862 6.148 1.00 0.00 O ATOM 796 CB SER A 51 -5.286 1.667 9.509 1.00 0.00 C ATOM 797 OG SER A 51 -4.147 2.295 10.072 1.00 0.00 O ATOM 0 H SER A 51 -7.119 0.859 7.875 1.00 0.00 H new ATOM 0 HA SER A 51 -6.023 3.492 8.639 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.058 1.562 10.271 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.023 0.661 9.181 1.00 0.00 H new ATOM 0 HG SER A 51 -3.819 1.762 10.827 1.00 0.00 H new ATOM 803 N LEU A 52 -3.758 3.279 7.361 1.00 0.00 N ATOM 804 CA LEU A 52 -2.727 3.425 6.341 1.00 0.00 C ATOM 805 C LEU A 52 -1.894 2.148 6.257 1.00 0.00 C ATOM 806 O LEU A 52 -1.640 1.630 5.170 1.00 0.00 O ATOM 807 CB LEU A 52 -1.846 4.647 6.657 1.00 0.00 C ATOM 808 CG LEU A 52 -0.976 5.177 5.504 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.514 6.595 5.809 1.00 0.00 C ATOM 810 CD2 LEU A 52 0.231 4.283 5.261 1.00 0.00 C ATOM 0 H LEU A 52 -3.584 3.813 8.212 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.196 3.588 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.492 5.456 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.191 4.390 7.490 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.584 5.178 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.101 6.962 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.382 7.243 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.071 6.597 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.823 4.687 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.841 4.242 6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.106 3.278 5.005 1.00 0.00 H new ATOM 822 N LEU A 53 -1.490 1.634 7.411 1.00 0.00 N ATOM 823 CA LEU A 53 -0.742 0.389 7.468 1.00 0.00 C ATOM 824 C LEU A 53 -1.625 -0.778 7.046 1.00 0.00 C ATOM 825 O LEU A 53 -1.172 -1.710 6.381 1.00 0.00 O ATOM 826 CB LEU A 53 -0.203 0.166 8.878 1.00 0.00 C ATOM 827 CG LEU A 53 1.307 0.349 9.038 1.00 0.00 C ATOM 828 CD1 LEU A 53 2.059 -0.689 8.218 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.723 1.753 8.628 1.00 0.00 C ATOM 0 H LEU A 53 -1.669 2.061 8.320 1.00 0.00 H new ATOM 0 HA LEU A 53 0.099 0.452 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.709 0.854 9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.465 -0.844 9.194 1.00 0.00 H new ATOM 0 HG LEU A 53 1.560 0.209 10.089 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.132 -0.544 8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.786 -1.688 8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.799 -0.579 7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.801 1.863 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.456 1.922 7.585 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.211 2.482 9.256 1.00 0.00 H new ATOM 841 N ASP A 54 -2.891 -0.711 7.440 1.00 0.00 N ATOM 842 CA ASP A 54 -3.890 -1.685 7.011 1.00 0.00 C ATOM 843 C ASP A 54 -4.025 -1.665 5.491 1.00 0.00 C ATOM 844 O ASP A 54 -4.078 -2.713 4.847 1.00 0.00 O ATOM 845 CB ASP A 54 -5.233 -1.378 7.678 1.00 0.00 C ATOM 846 CG ASP A 54 -6.364 -2.254 7.182 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.416 -3.443 7.571 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.222 -1.746 6.431 1.00 0.00 O ATOM 0 H ASP A 54 -3.253 0.013 8.061 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.571 -2.683 7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.132 -1.503 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.488 -0.333 7.501 1.00 0.00 H new ATOM 853 N LEU A 55 -4.042 -0.459 4.930 1.00 0.00 N ATOM 854 CA LEU A 55 -4.073 -0.267 3.484 1.00 0.00 C ATOM 855 C LEU A 55 -2.880 -0.948 2.824 1.00 0.00 C ATOM 856 O LEU A 55 -3.040 -1.713 1.877 1.00 0.00 O ATOM 857 CB LEU A 55 -4.059 1.233 3.162 1.00 0.00 C ATOM 858 CG LEU A 55 -4.075 1.593 1.676 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.404 1.221 1.043 1.00 0.00 C ATOM 860 CD2 LEU A 55 -3.790 3.076 1.483 1.00 0.00 C ATOM 0 H LEU A 55 -4.035 0.410 5.464 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.986 -0.715 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.923 1.696 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.171 1.675 3.614 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.290 1.021 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.391 1.487 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.568 0.148 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.209 1.760 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.805 3.314 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.551 3.663 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.809 3.314 1.894 1.00 0.00 H new ATOM 872 N ALA A 56 -1.688 -0.672 3.346 1.00 0.00 N ATOM 873 CA ALA A 56 -0.455 -1.234 2.803 1.00 0.00 C ATOM 874 C ALA A 56 -0.494 -2.761 2.781 1.00 0.00 C ATOM 875 O ALA A 56 -0.096 -3.390 1.801 1.00 0.00 O ATOM 876 CB ALA A 56 0.747 -0.747 3.602 1.00 0.00 C ATOM 0 H ALA A 56 -1.550 -0.059 4.149 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.360 -0.890 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.659 -1.175 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.801 0.341 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.643 -1.058 4.642 1.00 0.00 H new ATOM 882 N ARG A 57 -0.989 -3.353 3.861 1.00 0.00 N ATOM 883 CA ARG A 57 -1.084 -4.803 3.955 1.00 0.00 C ATOM 884 C ARG A 57 -2.170 -5.337 3.023 1.00 0.00 C ATOM 885 O ARG A 57 -2.032 -6.416 2.450 1.00 0.00 O ATOM 886 CB ARG A 57 -1.363 -5.221 5.400 1.00 0.00 C ATOM 887 CG ARG A 57 -0.215 -4.903 6.346 1.00 0.00 C ATOM 888 CD ARG A 57 -0.567 -5.197 7.797 1.00 0.00 C ATOM 889 NE ARG A 57 0.589 -5.019 8.679 1.00 0.00 N ATOM 890 CZ ARG A 57 0.677 -4.083 9.625 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.329 -3.246 9.841 1.00 0.00 N ATOM 892 NH2 ARG A 57 1.774 -3.999 10.363 1.00 0.00 N ATOM 0 H ARG A 57 -1.330 -2.852 4.682 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.131 -5.232 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.264 -4.717 5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.564 -6.292 5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.661 -5.486 6.061 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.056 -3.852 6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.374 -4.538 8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.937 -6.219 7.882 1.00 0.00 H new ATOM 0 HE ARG A 57 1.379 -5.653 8.562 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.179 -3.315 9.281 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.253 -2.533 10.567 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.545 -4.648 10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.847 -3.285 11.088 1.00 0.00 H new ATOM 906 N ALA A 58 -3.239 -4.568 2.866 1.00 0.00 N ATOM 907 CA ALA A 58 -4.327 -4.937 1.970 1.00 0.00 C ATOM 908 C ALA A 58 -3.848 -4.983 0.522 1.00 0.00 C ATOM 909 O ALA A 58 -4.308 -5.812 -0.261 1.00 0.00 O ATOM 910 CB ALA A 58 -5.493 -3.971 2.122 1.00 0.00 C ATOM 0 H ALA A 58 -3.376 -3.681 3.350 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.670 -5.935 2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.297 -4.261 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.856 -3.998 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.163 -2.961 1.880 1.00 0.00 H new ATOM 916 N ILE A 59 -2.914 -4.098 0.181 1.00 0.00 N ATOM 917 CA ILE A 59 -2.344 -4.052 -1.164 1.00 0.00 C ATOM 918 C ILE A 59 -1.634 -5.364 -1.489 1.00 0.00 C ATOM 919 O ILE A 59 -1.879 -5.973 -2.531 1.00 0.00 O ATOM 920 CB ILE A 59 -1.328 -2.893 -1.310 1.00 0.00 C ATOM 921 CG1 ILE A 59 -1.984 -1.556 -0.967 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.759 -2.854 -2.723 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.017 -0.389 -0.952 1.00 0.00 C ATOM 0 H ILE A 59 -2.534 -3.400 0.821 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.170 -3.891 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.510 -3.067 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.774 -1.353 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.460 -1.635 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.047 -2.033 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.254 -3.796 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.569 -2.706 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.554 0.526 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.241 -0.569 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.560 -0.283 -1.936 1.00 0.00 H new ATOM 935 N ILE A 60 -0.773 -5.801 -0.580 1.00 0.00 N ATOM 936 CA ILE A 60 -0.009 -7.025 -0.776 1.00 0.00 C ATOM 937 C ILE A 60 -0.928 -8.244 -0.740 1.00 0.00 C ATOM 938 O ILE A 60 -0.773 -9.176 -1.523 1.00 0.00 O ATOM 939 CB ILE A 60 1.107 -7.170 0.283 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.052 -5.971 0.203 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.879 -8.468 0.078 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.153 -5.988 1.245 1.00 0.00 C ATOM 0 H ILE A 60 -0.586 -5.325 0.302 1.00 0.00 H new ATOM 0 HA ILE A 60 0.461 -6.965 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 60 0.650 -7.200 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.504 -5.942 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.472 -5.055 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.660 -8.550 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.198 -9.314 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.332 -8.469 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.782 -5.106 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.711 -5.985 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.759 -6.885 1.120 1.00 0.00 H new ATOM 954 N ARG A 61 -1.898 -8.218 0.162 1.00 0.00 N ATOM 955 CA ARG A 61 -2.830 -9.326 0.323 1.00 0.00 C ATOM 956 C ARG A 61 -3.675 -9.553 -0.933 1.00 0.00 C ATOM 957 O ARG A 61 -4.038 -10.688 -1.244 1.00 0.00 O ATOM 958 CB ARG A 61 -3.749 -9.060 1.516 1.00 0.00 C ATOM 959 CG ARG A 61 -4.747 -10.173 1.790 1.00 0.00 C ATOM 960 CD ARG A 61 -5.711 -9.785 2.896 1.00 0.00 C ATOM 961 NE ARG A 61 -6.517 -8.622 2.536 1.00 0.00 N ATOM 962 CZ ARG A 61 -6.826 -7.640 3.378 1.00 0.00 C ATOM 963 NH1 ARG A 61 -6.333 -7.637 4.611 1.00 0.00 N ATOM 964 NH2 ARG A 61 -7.607 -6.650 2.971 1.00 0.00 N ATOM 0 H ARG A 61 -2.061 -7.437 0.797 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.242 -10.227 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.137 -8.908 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.294 -8.132 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.304 -10.398 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.214 -11.082 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.367 -10.627 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.151 -9.570 3.806 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.865 -8.559 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.715 -8.389 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.572 -6.882 5.254 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.967 -6.644 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.848 -5.894 3.612 1.00 0.00 H new ATOM 978 N ASP A 62 -3.983 -8.478 -1.654 1.00 0.00 N ATOM 979 CA ASP A 62 -4.902 -8.567 -2.789 1.00 0.00 C ATOM 980 C ASP A 62 -4.155 -8.800 -4.102 1.00 0.00 C ATOM 981 O ASP A 62 -4.767 -9.019 -5.148 1.00 0.00 O ATOM 982 CB ASP A 62 -5.756 -7.296 -2.881 1.00 0.00 C ATOM 983 CG ASP A 62 -6.976 -7.469 -3.774 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.928 -8.160 -3.351 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.001 -6.904 -4.888 1.00 0.00 O ATOM 0 H ASP A 62 -3.615 -7.543 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.554 -9.425 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.081 -7.009 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.144 -6.479 -3.264 1.00 0.00 H new ATOM 990 N THR A 63 -2.831 -8.770 -4.048 1.00 0.00 N ATOM 991 CA THR A 63 -2.023 -8.937 -5.248 1.00 0.00 C ATOM 992 C THR A 63 -0.994 -10.051 -5.075 1.00 0.00 C ATOM 993 O THR A 63 -0.366 -10.186 -4.025 1.00 0.00 O ATOM 994 CB THR A 63 -1.300 -7.627 -5.635 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.539 -7.137 -4.527 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.291 -6.563 -6.085 1.00 0.00 C ATOM 0 H THR A 63 -2.295 -8.632 -3.191 1.00 0.00 H new ATOM 0 HA THR A 63 -2.709 -9.209 -6.050 1.00 0.00 H new ATOM 0 HB THR A 63 -0.631 -7.848 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.145 -6.896 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.752 -5.653 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.844 -6.924 -6.952 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.988 -6.349 -5.275 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.819 -10.848 -6.113 1.00 0.00 N ATOM 1005 CA VAL A 64 0.157 -11.922 -6.086 1.00 0.00 C ATOM 1006 C VAL A 64 1.493 -11.411 -6.618 1.00 0.00 C ATOM 1007 O VAL A 64 2.509 -12.106 -6.593 1.00 0.00 O ATOM 1008 CB VAL A 64 -0.325 -13.133 -6.911 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.260 -12.847 -8.401 1.00 0.00 C ATOM 1010 CG2 VAL A 64 0.465 -14.386 -6.558 1.00 0.00 C ATOM 0 H VAL A 64 -1.341 -10.772 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 64 0.282 -12.253 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.369 -13.313 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.606 -13.720 -8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.895 -11.993 -8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.768 -12.622 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.104 -15.224 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.522 -14.221 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.335 -14.612 -5.500 1.00 0.00 H new ATOM 1020 N GLU A 65 1.472 -10.175 -7.096 1.00 0.00 N ATOM 1021 CA GLU A 65 2.673 -9.517 -7.599 1.00 0.00 C ATOM 1022 C GLU A 65 3.712 -9.363 -6.494 1.00 0.00 C ATOM 1023 O GLU A 65 4.899 -9.602 -6.708 1.00 0.00 O ATOM 1024 CB GLU A 65 2.326 -8.141 -8.165 1.00 0.00 C ATOM 1025 CG GLU A 65 1.278 -8.174 -9.264 1.00 0.00 C ATOM 1026 CD GLU A 65 1.702 -8.995 -10.467 1.00 0.00 C ATOM 1027 OE1 GLU A 65 2.380 -8.446 -11.363 1.00 0.00 O ATOM 1028 OE2 GLU A 65 1.347 -10.187 -10.531 1.00 0.00 O ATOM 0 H GLU A 65 0.630 -9.602 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 65 3.090 -10.140 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.969 -7.505 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.233 -7.680 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.351 -8.582 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.064 -7.154 -9.585 1.00 0.00 H new ATOM 1035 N PHE A 66 3.260 -8.957 -5.312 1.00 0.00 N ATOM 1036 CA PHE A 66 4.153 -8.784 -4.176 1.00 0.00 C ATOM 1037 C PHE A 66 4.281 -10.087 -3.397 1.00 0.00 C ATOM 1038 O PHE A 66 5.329 -10.383 -2.822 1.00 0.00 O ATOM 1039 CB PHE A 66 3.651 -7.666 -3.260 1.00 0.00 C ATOM 1040 CG PHE A 66 3.563 -6.326 -3.935 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.711 -5.611 -4.236 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.334 -5.784 -4.270 1.00 0.00 C ATOM 1043 CE1 PHE A 66 4.635 -4.380 -4.859 1.00 0.00 C ATOM 1044 CE2 PHE A 66 2.251 -4.553 -4.892 1.00 0.00 C ATOM 1045 CZ PHE A 66 3.403 -3.850 -5.188 1.00 0.00 C ATOM 0 H PHE A 66 2.282 -8.742 -5.118 1.00 0.00 H new ATOM 0 HA PHE A 66 5.137 -8.505 -4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.666 -7.936 -2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.316 -7.587 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.677 -6.021 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.430 -6.329 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.538 -3.833 -5.088 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.286 -4.140 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.340 -2.888 -5.675 1.00 0.00 H new ATOM 1055 N SER A 67 3.212 -10.865 -3.396 1.00 0.00 N ATOM 1056 CA SER A 67 3.197 -12.144 -2.706 1.00 0.00 C ATOM 1057 C SER A 67 3.755 -13.248 -3.605 1.00 0.00 C ATOM 1058 O SER A 67 3.007 -14.054 -4.168 1.00 0.00 O ATOM 1059 CB SER A 67 1.772 -12.477 -2.261 1.00 0.00 C ATOM 1060 OG SER A 67 1.240 -11.442 -1.448 1.00 0.00 O ATOM 0 H SER A 67 2.338 -10.632 -3.868 1.00 0.00 H new ATOM 0 HA SER A 67 3.833 -12.076 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.138 -12.620 -3.136 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.770 -13.417 -1.708 1.00 0.00 H new ATOM 0 HG SER A 67 0.618 -10.899 -1.975 1.00 0.00 H new ATOM 1066 N GLY A 68 5.074 -13.264 -3.751 1.00 0.00 N ATOM 1067 CA GLY A 68 5.714 -14.232 -4.614 1.00 0.00 C ATOM 1068 C GLY A 68 6.569 -15.223 -3.850 1.00 0.00 C ATOM 1069 O GLY A 68 7.280 -14.854 -2.910 1.00 0.00 O ATOM 0 H GLY A 68 5.712 -12.620 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.951 -14.773 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.334 -13.709 -5.342 1.00 0.00 H new ATOM 1073 N VAL A 69 6.500 -16.480 -4.254 1.00 0.00 N ATOM 1074 CA VAL A 69 7.304 -17.530 -3.644 1.00 0.00 C ATOM 1075 C VAL A 69 8.619 -17.695 -4.400 1.00 0.00 C ATOM 1076 O VAL A 69 8.627 -17.820 -5.626 1.00 0.00 O ATOM 1077 CB VAL A 69 6.550 -18.877 -3.625 1.00 0.00 C ATOM 1078 CG1 VAL A 69 7.382 -19.952 -2.941 1.00 0.00 C ATOM 1079 CG2 VAL A 69 5.208 -18.729 -2.930 1.00 0.00 C ATOM 0 H VAL A 69 5.892 -16.802 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 69 7.508 -17.234 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 69 6.375 -19.181 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.831 -20.892 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.321 -20.083 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.591 -19.652 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.692 -19.689 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.364 -18.398 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.603 -17.994 -3.460 1.00 0.00 H new ATOM 1089 N LYS A 70 9.725 -17.676 -3.673 1.00 0.00 N ATOM 1090 CA LYS A 70 11.035 -17.820 -4.284 1.00 0.00 C ATOM 1091 C LYS A 70 11.334 -19.287 -4.577 1.00 0.00 C ATOM 1092 O LYS A 70 11.616 -19.653 -5.717 1.00 0.00 O ATOM 1093 CB LYS A 70 12.118 -17.230 -3.377 1.00 0.00 C ATOM 1094 CG LYS A 70 13.511 -17.297 -3.979 1.00 0.00 C ATOM 1095 CD LYS A 70 14.552 -16.649 -3.079 1.00 0.00 C ATOM 1096 CE LYS A 70 14.299 -15.160 -2.899 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.300 -14.431 -4.193 1.00 0.00 N ATOM 0 H LYS A 70 9.741 -17.562 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 70 11.033 -17.272 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.873 -16.190 -3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.115 -17.763 -2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.781 -18.339 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.511 -16.800 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.545 -17.139 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.544 -16.800 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.340 -15.013 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.064 -14.739 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.363 -13.408 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.116 -14.734 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.422 -14.639 -4.710 1.00 0.00 H new ATOM 1111 N GLU A 71 11.261 -20.120 -3.544 1.00 0.00 N ATOM 1112 CA GLU A 71 11.541 -21.542 -3.681 1.00 0.00 C ATOM 1113 C GLU A 71 11.037 -22.293 -2.458 1.00 0.00 C ATOM 1114 O GLU A 71 11.314 -21.901 -1.325 1.00 0.00 O ATOM 1115 CB GLU A 71 13.045 -21.775 -3.861 1.00 0.00 C ATOM 1116 CG GLU A 71 13.424 -23.230 -4.092 1.00 0.00 C ATOM 1117 CD GLU A 71 14.910 -23.412 -4.321 1.00 0.00 C ATOM 1118 OE1 GLU A 71 15.397 -23.043 -5.411 1.00 0.00 O ATOM 1119 OE2 GLU A 71 15.598 -23.921 -3.410 1.00 0.00 O ATOM 0 H GLU A 71 11.009 -19.831 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 71 11.023 -21.916 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.396 -21.181 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.567 -21.411 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.117 -23.823 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.877 -23.612 -4.954 1.00 0.00 H new ATOM 1126 N GLY A 72 10.297 -23.362 -2.691 1.00 0.00 N ATOM 1127 CA GLY A 72 9.753 -24.142 -1.599 1.00 0.00 C ATOM 1128 C GLY A 72 9.015 -25.364 -2.096 1.00 0.00 C ATOM 1129 O GLY A 72 7.785 -25.400 -2.098 1.00 0.00 O ATOM 0 H GLY A 72 10.061 -23.707 -3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.560 -24.450 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.076 -23.522 -1.011 1.00 0.00 H new ATOM 1133 N SER A 73 9.766 -26.355 -2.551 1.00 0.00 N ATOM 1134 CA SER A 73 9.191 -27.584 -3.073 1.00 0.00 C ATOM 1135 C SER A 73 10.179 -28.732 -2.903 1.00 0.00 C ATOM 1136 O SER A 73 9.949 -29.589 -2.030 1.00 0.00 O ATOM 1137 CB SER A 73 8.817 -27.413 -4.547 1.00 0.00 C ATOM 1138 OG SER A 73 7.958 -26.294 -4.727 1.00 0.00 O ATOM 1139 OXT SER A 73 11.209 -28.738 -3.606 1.00 0.00 O ATOM 0 H SER A 73 10.786 -26.330 -2.569 1.00 0.00 H new ATOM 0 HA SER A 73 8.284 -27.815 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.720 -27.282 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.325 -28.316 -4.908 1.00 0.00 H new ATOM 0 HG SER A 73 7.734 -26.203 -5.677 1.00 0.00 H new TER 1145 SER A 73