USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 67 THR OG1 : rot 180:sc= -2.04! USER MOD Set 1.2: A 76 GLN : amide:sc=0.000174 X(o=-2,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0364 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.522 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-4.2!) USER MOD Single : A 10 MET CE :methyl 167:sc= -0.0173 (180deg=-0.413) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.952 X(o=-0.95,f=-0.6) USER MOD Single : A 20 HIS : no HD1:sc= -5.99! C(o=-6!,f=-10!) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 150:sc= 0.974 USER MOD Single : A 35 SER OG : rot -145:sc= -2.26 USER MOD Single : A 38 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-1.1) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -59:sc= 0.00599 USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0702) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.987 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc=-0.00613 X(o=-0.0061,f=-0.41) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -1.09! C(o=-1.1!,f=-2.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.521 -18.161 23.647 1.00 0.00 N ATOM 2 CA GLY A 1 -15.355 -17.859 22.771 1.00 0.00 C ATOM 3 C GLY A 1 -15.630 -16.720 21.809 1.00 0.00 C ATOM 4 O GLY A 1 -16.784 -16.431 21.492 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.346 -17.783 24.600 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.376 -17.721 23.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.656 -19.191 23.703 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.495 -17.607 23.391 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.089 -18.752 22.205 1.00 0.00 H new ATOM 10 N SER A 2 -14.566 -16.072 21.345 1.00 0.00 N ATOM 11 CA SER A 2 -14.694 -14.956 20.415 1.00 0.00 C ATOM 12 C SER A 2 -15.441 -13.792 21.058 1.00 0.00 C ATOM 13 O SER A 2 -16.665 -13.823 21.189 1.00 0.00 O ATOM 14 CB SER A 2 -15.416 -15.401 19.138 1.00 0.00 C ATOM 15 OG SER A 2 -15.479 -16.814 19.050 1.00 0.00 O ATOM 0 H SER A 2 -13.605 -16.301 21.598 1.00 0.00 H new ATOM 0 HA SER A 2 -13.690 -14.620 20.155 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.425 -14.988 19.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.897 -15.003 18.266 1.00 0.00 H new ATOM 0 HG SER A 2 -15.946 -17.070 18.227 1.00 0.00 H new ATOM 21 N MET A 3 -14.697 -12.766 21.457 1.00 0.00 N ATOM 22 CA MET A 3 -15.288 -11.589 22.086 1.00 0.00 C ATOM 23 C MET A 3 -15.873 -10.651 21.034 1.00 0.00 C ATOM 24 O MET A 3 -17.010 -10.196 21.154 1.00 0.00 O ATOM 25 CB MET A 3 -14.238 -10.850 22.918 1.00 0.00 C ATOM 26 CG MET A 3 -13.530 -11.735 23.930 1.00 0.00 C ATOM 27 SD MET A 3 -13.095 -10.853 25.442 1.00 0.00 S ATOM 28 CE MET A 3 -13.393 -12.121 26.673 1.00 0.00 C ATOM 0 H MET A 3 -13.683 -12.725 21.356 1.00 0.00 H new ATOM 0 HA MET A 3 -16.093 -11.920 22.742 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.497 -10.414 22.248 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.718 -10.024 23.443 1.00 0.00 H new ATOM 0 HG2 MET A 3 -14.172 -12.580 24.179 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.625 -12.143 23.479 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.168 -11.726 27.664 1.00 0.00 H new ATOM 0 HE2 MET A 3 -14.438 -12.428 26.633 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.754 -12.981 26.472 1.00 0.00 H new ATOM 38 N ILE A 4 -15.085 -10.366 20.001 1.00 0.00 N ATOM 39 CA ILE A 4 -15.519 -9.485 18.925 1.00 0.00 C ATOM 40 C ILE A 4 -15.724 -8.060 19.430 1.00 0.00 C ATOM 41 O ILE A 4 -16.683 -7.385 19.054 1.00 0.00 O ATOM 42 CB ILE A 4 -16.824 -9.987 18.278 1.00 0.00 C ATOM 43 CG1 ILE A 4 -16.702 -11.472 17.928 1.00 0.00 C ATOM 44 CG2 ILE A 4 -17.153 -9.166 17.039 1.00 0.00 C ATOM 45 CD1 ILE A 4 -17.940 -12.044 17.272 1.00 0.00 C ATOM 0 H ILE A 4 -14.141 -10.734 19.888 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.729 -9.489 18.174 1.00 0.00 H new ATOM 0 HB ILE A 4 -17.639 -9.867 18.992 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -15.851 -11.611 17.261 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -16.490 -12.035 18.837 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -18.078 -9.534 16.594 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -17.275 -8.119 17.318 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -16.342 -9.256 16.317 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -17.781 -13.100 17.053 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -18.791 -11.938 17.945 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -18.142 -11.507 16.345 1.00 0.00 H new ATOM 57 N HIS A 5 -14.812 -7.608 20.284 1.00 0.00 N ATOM 58 CA HIS A 5 -14.883 -6.262 20.842 1.00 0.00 C ATOM 59 C HIS A 5 -14.552 -5.210 19.786 1.00 0.00 C ATOM 60 O HIS A 5 -14.911 -4.040 19.929 1.00 0.00 O ATOM 61 CB HIS A 5 -13.923 -6.134 22.026 1.00 0.00 C ATOM 62 CG HIS A 5 -14.123 -4.887 22.829 1.00 0.00 C ATOM 63 ND1 HIS A 5 -13.111 -4.277 23.540 1.00 0.00 N ATOM 64 CD2 HIS A 5 -15.229 -4.131 23.032 1.00 0.00 C ATOM 65 CE1 HIS A 5 -13.583 -3.203 24.145 1.00 0.00 C ATOM 66 NE2 HIS A 5 -14.866 -3.091 23.853 1.00 0.00 N ATOM 0 H HIS A 5 -14.013 -8.155 20.606 1.00 0.00 H new ATOM 0 HA HIS A 5 -15.903 -6.091 21.185 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -14.046 -6.999 22.678 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.898 -6.157 21.656 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -16.213 -4.312 22.624 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.016 -2.530 24.772 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -15.487 -2.352 24.183 1.00 0.00 H new ATOM 74 N ARG A 6 -13.863 -5.629 18.728 1.00 0.00 N ATOM 75 CA ARG A 6 -13.481 -4.720 17.651 1.00 0.00 C ATOM 76 C ARG A 6 -12.568 -3.614 18.174 1.00 0.00 C ATOM 77 O ARG A 6 -13.038 -2.591 18.673 1.00 0.00 O ATOM 78 CB ARG A 6 -14.723 -4.106 17.001 1.00 0.00 C ATOM 79 CG ARG A 6 -14.494 -3.641 15.572 1.00 0.00 C ATOM 80 CD ARG A 6 -15.796 -3.233 14.899 1.00 0.00 C ATOM 81 NE ARG A 6 -15.897 -3.758 13.539 1.00 0.00 N ATOM 82 CZ ARG A 6 -16.838 -3.393 12.669 1.00 0.00 C ATOM 83 NH1 ARG A 6 -17.767 -2.512 13.016 1.00 0.00 N ATOM 84 NH2 ARG A 6 -16.850 -3.915 11.449 1.00 0.00 N ATOM 0 H ARG A 6 -13.558 -6.593 18.593 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.938 -5.295 16.901 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.529 -4.840 17.011 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.056 -3.259 17.601 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.803 -2.798 15.570 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.023 -4.440 15.000 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.638 -3.593 15.490 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.866 -2.146 14.874 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.206 -4.445 13.238 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.764 -2.110 13.953 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.485 -2.237 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.139 -4.595 11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.570 -3.636 10.782 1.00 0.00 H new ATOM 98 N MET A 7 -11.261 -3.826 18.057 1.00 0.00 N ATOM 99 CA MET A 7 -10.284 -2.848 18.521 1.00 0.00 C ATOM 100 C MET A 7 -9.499 -2.265 17.349 1.00 0.00 C ATOM 101 O MET A 7 -9.655 -1.093 17.007 1.00 0.00 O ATOM 102 CB MET A 7 -9.327 -3.493 19.527 1.00 0.00 C ATOM 103 CG MET A 7 -9.061 -2.631 20.752 1.00 0.00 C ATOM 104 SD MET A 7 -9.989 -3.174 22.200 1.00 0.00 S ATOM 105 CE MET A 7 -8.821 -4.308 22.948 1.00 0.00 C ATOM 0 H MET A 7 -10.854 -4.666 17.645 1.00 0.00 H new ATOM 0 HA MET A 7 -10.821 -2.036 19.012 1.00 0.00 H new ATOM 0 HB2 MET A 7 -9.741 -4.449 19.848 1.00 0.00 H new ATOM 0 HB3 MET A 7 -8.380 -3.706 19.030 1.00 0.00 H new ATOM 0 HG2 MET A 7 -7.995 -2.650 20.980 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.320 -1.597 20.526 1.00 0.00 H new ATOM 0 HE1 MET A 7 -9.252 -4.727 23.857 1.00 0.00 H new ATOM 0 HE2 MET A 7 -8.596 -5.113 22.248 1.00 0.00 H new ATOM 0 HE3 MET A 7 -7.903 -3.775 23.194 1.00 0.00 H new ATOM 115 N SER A 8 -8.654 -3.090 16.738 1.00 0.00 N ATOM 116 CA SER A 8 -7.845 -2.655 15.603 1.00 0.00 C ATOM 117 C SER A 8 -8.384 -3.227 14.296 1.00 0.00 C ATOM 118 O SER A 8 -8.201 -4.407 14.001 1.00 0.00 O ATOM 119 CB SER A 8 -6.389 -3.085 15.795 1.00 0.00 C ATOM 120 OG SER A 8 -5.525 -2.360 14.937 1.00 0.00 O ATOM 0 H SER A 8 -8.511 -4.063 17.009 1.00 0.00 H new ATOM 0 HA SER A 8 -7.895 -1.567 15.551 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.094 -2.926 16.832 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.293 -4.152 15.596 1.00 0.00 H new ATOM 0 HG SER A 8 -4.601 -2.652 15.081 1.00 0.00 H new ATOM 126 N ASN A 9 -9.049 -2.382 13.512 1.00 0.00 N ATOM 127 CA ASN A 9 -9.612 -2.808 12.234 1.00 0.00 C ATOM 128 C ASN A 9 -8.595 -2.645 11.110 1.00 0.00 C ATOM 129 O ASN A 9 -7.691 -1.814 11.193 1.00 0.00 O ATOM 130 CB ASN A 9 -10.873 -2.003 11.913 1.00 0.00 C ATOM 131 CG ASN A 9 -12.007 -2.296 12.875 1.00 0.00 C ATOM 132 OD1 ASN A 9 -11.976 -3.284 13.607 1.00 0.00 O ATOM 133 ND2 ASN A 9 -13.016 -1.434 12.877 1.00 0.00 N ATOM 0 H ASN A 9 -9.211 -1.401 13.739 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.873 -3.863 12.316 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.639 -0.939 11.945 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.195 -2.228 10.896 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -13.808 -1.578 13.503 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.999 -0.628 12.252 1.00 0.00 H new ATOM 140 N MET A 10 -8.750 -3.442 10.057 1.00 0.00 N ATOM 141 CA MET A 10 -7.845 -3.384 8.915 1.00 0.00 C ATOM 142 C MET A 10 -8.073 -2.108 8.112 1.00 0.00 C ATOM 143 O MET A 10 -9.152 -1.517 8.159 1.00 0.00 O ATOM 144 CB MET A 10 -8.041 -4.605 8.014 1.00 0.00 C ATOM 145 CG MET A 10 -8.118 -5.919 8.776 1.00 0.00 C ATOM 146 SD MET A 10 -6.619 -6.907 8.623 1.00 0.00 S ATOM 147 CE MET A 10 -5.425 -5.839 9.423 1.00 0.00 C ATOM 0 H MET A 10 -9.493 -4.135 9.971 1.00 0.00 H new ATOM 0 HA MET A 10 -6.823 -3.383 9.293 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.956 -4.476 7.436 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.218 -4.656 7.301 1.00 0.00 H new ATOM 0 HG2 MET A 10 -8.305 -5.712 9.830 1.00 0.00 H new ATOM 0 HG3 MET A 10 -8.967 -6.496 8.410 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.509 -6.397 9.615 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.204 -4.991 8.775 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.835 -5.478 10.366 1.00 0.00 H new ATOM 157 N ALA A 11 -7.052 -1.687 7.373 1.00 0.00 N ATOM 158 CA ALA A 11 -7.146 -0.481 6.562 1.00 0.00 C ATOM 159 C ALA A 11 -7.447 -0.819 5.105 1.00 0.00 C ATOM 160 O ALA A 11 -6.836 -1.717 4.525 1.00 0.00 O ATOM 161 CB ALA A 11 -5.860 0.328 6.667 1.00 0.00 C ATOM 0 H ALA A 11 -6.152 -2.163 7.320 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.971 0.120 6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.944 1.227 6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.692 0.611 7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.022 -0.273 6.314 1.00 0.00 H new ATOM 167 N THR A 12 -8.394 -0.093 4.520 1.00 0.00 N ATOM 168 CA THR A 12 -8.777 -0.313 3.131 1.00 0.00 C ATOM 169 C THR A 12 -8.751 0.999 2.353 1.00 0.00 C ATOM 170 O THR A 12 -9.287 2.010 2.806 1.00 0.00 O ATOM 171 CB THR A 12 -10.167 -0.948 3.052 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.799 -0.935 4.320 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.140 -2.380 2.569 1.00 0.00 C ATOM 0 H THR A 12 -8.910 0.653 4.987 1.00 0.00 H new ATOM 0 HA THR A 12 -8.056 -0.996 2.682 1.00 0.00 H new ATOM 0 HB THR A 12 -10.719 -0.346 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.687 -1.344 4.247 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.157 -2.772 2.536 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.703 -2.419 1.571 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.541 -2.983 3.251 1.00 0.00 H new ATOM 181 N PHE A 13 -8.126 0.974 1.180 1.00 0.00 N ATOM 182 CA PHE A 13 -8.029 2.161 0.336 1.00 0.00 C ATOM 183 C PHE A 13 -8.889 2.012 -0.914 1.00 0.00 C ATOM 184 O PHE A 13 -9.072 0.907 -1.423 1.00 0.00 O ATOM 185 CB PHE A 13 -6.571 2.399 -0.064 1.00 0.00 C ATOM 186 CG PHE A 13 -6.359 3.664 -0.842 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.307 4.888 -0.198 1.00 0.00 C ATOM 188 CD2 PHE A 13 -6.206 3.628 -2.218 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.107 6.054 -0.910 1.00 0.00 C ATOM 190 CE2 PHE A 13 -6.004 4.790 -2.936 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.954 6.005 -2.281 1.00 0.00 C ATOM 0 H PHE A 13 -7.678 0.144 0.792 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.394 3.016 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.957 2.429 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.224 1.554 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.424 4.932 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.245 2.681 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.070 7.003 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.885 4.749 -4.009 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.795 6.915 -2.841 1.00 0.00 H new ATOM 201 N SER A 14 -9.411 3.132 -1.407 1.00 0.00 N ATOM 202 CA SER A 14 -10.247 3.122 -2.603 1.00 0.00 C ATOM 203 C SER A 14 -9.490 3.696 -3.799 1.00 0.00 C ATOM 204 O SER A 14 -8.660 4.592 -3.647 1.00 0.00 O ATOM 205 CB SER A 14 -11.531 3.920 -2.363 1.00 0.00 C ATOM 206 OG SER A 14 -11.931 3.848 -1.005 1.00 0.00 O ATOM 0 H SER A 14 -9.270 4.056 -0.998 1.00 0.00 H new ATOM 0 HA SER A 14 -10.510 2.088 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.373 4.961 -2.644 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.327 3.535 -3.001 1.00 0.00 H new ATOM 0 HG SER A 14 -12.752 4.367 -0.878 1.00 0.00 H new ATOM 212 N LEU A 15 -9.779 3.173 -4.987 1.00 0.00 N ATOM 213 CA LEU A 15 -9.121 3.637 -6.204 1.00 0.00 C ATOM 214 C LEU A 15 -10.119 4.317 -7.138 1.00 0.00 C ATOM 215 O LEU A 15 -9.810 5.337 -7.754 1.00 0.00 O ATOM 216 CB LEU A 15 -8.452 2.464 -6.922 1.00 0.00 C ATOM 217 CG LEU A 15 -7.508 1.629 -6.059 1.00 0.00 C ATOM 218 CD1 LEU A 15 -7.136 0.337 -6.771 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.260 2.426 -5.710 1.00 0.00 C ATOM 0 H LEU A 15 -10.462 2.430 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.361 4.366 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.229 1.811 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.893 2.851 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.023 1.374 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.463 -0.245 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.038 -0.242 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.640 0.571 -7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.599 1.816 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.743 2.711 -6.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.543 3.323 -5.159 1.00 0.00 H new ATOM 231 N GLY A 16 -11.315 3.744 -7.238 1.00 0.00 N ATOM 232 CA GLY A 16 -12.337 4.311 -8.101 1.00 0.00 C ATOM 233 C GLY A 16 -12.404 3.626 -9.452 1.00 0.00 C ATOM 234 O GLY A 16 -12.932 2.520 -9.570 1.00 0.00 O ATOM 0 H GLY A 16 -11.594 2.900 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.307 4.233 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.137 5.373 -8.245 1.00 0.00 H new ATOM 238 N LYS A 17 -11.868 4.286 -10.475 1.00 0.00 N ATOM 239 CA LYS A 17 -11.868 3.734 -11.826 1.00 0.00 C ATOM 240 C LYS A 17 -10.670 4.242 -12.625 1.00 0.00 C ATOM 241 O LYS A 17 -10.825 4.827 -13.697 1.00 0.00 O ATOM 242 CB LYS A 17 -13.168 4.095 -12.548 1.00 0.00 C ATOM 243 CG LYS A 17 -13.366 5.589 -12.738 1.00 0.00 C ATOM 244 CD LYS A 17 -14.825 5.985 -12.571 1.00 0.00 C ATOM 245 CE LYS A 17 -15.185 6.181 -11.107 1.00 0.00 C ATOM 246 NZ LYS A 17 -16.047 7.378 -10.902 1.00 0.00 N ATOM 0 H LYS A 17 -11.429 5.203 -10.394 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.794 2.649 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.178 3.609 -13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.010 3.695 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.756 6.132 -12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.021 5.879 -13.730 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.018 6.906 -13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.464 5.215 -13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.701 5.295 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.273 6.286 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.270 7.476 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.545 8.228 -11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -16.929 7.267 -11.442 1.00 0.00 H new ATOM 260 N HIS A 18 -9.476 4.010 -12.093 1.00 0.00 N ATOM 261 CA HIS A 18 -8.247 4.439 -12.753 1.00 0.00 C ATOM 262 C HIS A 18 -7.431 3.231 -13.205 1.00 0.00 C ATOM 263 O HIS A 18 -7.707 2.101 -12.800 1.00 0.00 O ATOM 264 CB HIS A 18 -7.414 5.312 -11.810 1.00 0.00 C ATOM 265 CG HIS A 18 -7.532 6.778 -12.095 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.719 7.470 -12.000 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.600 7.686 -12.475 1.00 0.00 C ATOM 268 CE1 HIS A 18 -8.518 8.738 -12.309 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.239 8.895 -12.601 1.00 0.00 N ATOM 0 H HIS A 18 -9.332 3.527 -11.206 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.516 5.026 -13.631 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.725 5.123 -10.783 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.367 5.018 -11.885 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.551 7.494 -12.647 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.270 9.513 -12.321 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.798 9.773 -12.876 1.00 0.00 H new ATOM 277 N PRO A 19 -6.409 3.449 -14.052 1.00 0.00 N ATOM 278 CA PRO A 19 -5.558 2.364 -14.548 1.00 0.00 C ATOM 279 C PRO A 19 -4.856 1.635 -13.410 1.00 0.00 C ATOM 280 O PRO A 19 -4.638 0.426 -13.477 1.00 0.00 O ATOM 281 CB PRO A 19 -4.538 3.078 -15.444 1.00 0.00 C ATOM 282 CG PRO A 19 -4.585 4.508 -15.026 1.00 0.00 C ATOM 283 CD PRO A 19 -5.997 4.758 -14.582 1.00 0.00 C ATOM 0 HA PRO A 19 -6.130 1.600 -15.075 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.539 2.662 -15.313 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.794 2.967 -16.498 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.881 4.702 -14.217 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.312 5.166 -15.851 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.050 5.537 -13.821 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.631 5.077 -15.410 1.00 0.00 H new ATOM 291 N HIS A 20 -4.523 2.391 -12.364 1.00 0.00 N ATOM 292 CA HIS A 20 -3.853 1.860 -11.176 1.00 0.00 C ATOM 293 C HIS A 20 -3.242 3.000 -10.369 1.00 0.00 C ATOM 294 O HIS A 20 -3.584 4.163 -10.582 1.00 0.00 O ATOM 295 CB HIS A 20 -2.787 0.825 -11.544 1.00 0.00 C ATOM 296 CG HIS A 20 -1.638 1.405 -12.288 1.00 0.00 C ATOM 297 ND1 HIS A 20 -0.783 2.317 -11.727 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.201 1.203 -13.553 1.00 0.00 C ATOM 299 CE1 HIS A 20 0.129 2.658 -12.605 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.096 1.997 -13.725 1.00 0.00 N ATOM 0 H HIS A 20 -4.711 3.392 -12.316 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.600 1.353 -10.565 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.420 0.352 -10.633 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.244 0.041 -12.148 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.639 0.543 -14.287 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.931 3.362 -12.439 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.460 2.065 -14.577 1.00 0.00 H new ATOM 308 N VAL A 21 -2.338 2.677 -9.449 1.00 0.00 N ATOM 309 CA VAL A 21 -1.703 3.707 -8.633 1.00 0.00 C ATOM 310 C VAL A 21 -0.238 3.397 -8.362 1.00 0.00 C ATOM 311 O VAL A 21 0.175 2.239 -8.349 1.00 0.00 O ATOM 312 CB VAL A 21 -2.419 3.890 -7.282 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.725 4.646 -7.462 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.658 2.542 -6.619 1.00 0.00 C ATOM 0 H VAL A 21 -2.032 1.724 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.776 4.628 -9.211 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.776 4.481 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.214 4.764 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.521 5.629 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.378 4.089 -8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.165 2.690 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.278 1.923 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.703 2.046 -6.449 1.00 0.00 H new ATOM 324 N GLU A 22 0.536 4.449 -8.125 1.00 0.00 N ATOM 325 CA GLU A 22 1.948 4.309 -7.830 1.00 0.00 C ATOM 326 C GLU A 22 2.141 4.006 -6.350 1.00 0.00 C ATOM 327 O GLU A 22 1.462 4.587 -5.505 1.00 0.00 O ATOM 328 CB GLU A 22 2.691 5.593 -8.207 1.00 0.00 C ATOM 329 CG GLU A 22 3.796 5.372 -9.221 1.00 0.00 C ATOM 330 CD GLU A 22 4.264 6.661 -9.871 1.00 0.00 C ATOM 331 OE1 GLU A 22 3.680 7.724 -9.574 1.00 0.00 O ATOM 332 OE2 GLU A 22 5.215 6.604 -10.679 1.00 0.00 O ATOM 0 H GLU A 22 0.202 5.413 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 22 2.354 3.484 -8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.978 6.312 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.117 6.035 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.642 4.890 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.443 4.688 -9.993 1.00 0.00 H new ATOM 339 N LEU A 23 3.050 3.087 -6.040 1.00 0.00 N ATOM 340 CA LEU A 23 3.311 2.707 -4.653 1.00 0.00 C ATOM 341 C LEU A 23 3.320 3.926 -3.731 1.00 0.00 C ATOM 342 O LEU A 23 2.918 3.841 -2.572 1.00 0.00 O ATOM 343 CB LEU A 23 4.643 1.962 -4.544 1.00 0.00 C ATOM 344 CG LEU A 23 5.860 2.731 -5.058 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.375 3.690 -3.995 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.955 1.763 -5.482 1.00 0.00 C ATOM 0 H LEU A 23 3.618 2.592 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 23 2.504 2.047 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.812 1.702 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.564 1.026 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 23 5.559 3.316 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.241 4.228 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.591 4.402 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.662 3.128 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.816 2.324 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.253 1.154 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.581 1.116 -6.276 1.00 0.00 H new ATOM 358 N CYS A 24 3.777 5.061 -4.256 1.00 0.00 N ATOM 359 CA CYS A 24 3.834 6.294 -3.478 1.00 0.00 C ATOM 360 C CYS A 24 2.433 6.851 -3.232 1.00 0.00 C ATOM 361 O CYS A 24 2.134 7.347 -2.147 1.00 0.00 O ATOM 362 CB CYS A 24 4.692 7.336 -4.199 1.00 0.00 C ATOM 363 SG CYS A 24 5.957 8.099 -3.157 1.00 0.00 S ATOM 0 H CYS A 24 4.112 5.151 -5.215 1.00 0.00 H new ATOM 0 HA CYS A 24 4.286 6.065 -2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.177 6.864 -5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.042 8.117 -4.593 1.00 0.00 H new ATOM 0 HG CYS A 24 6.631 8.963 -3.856 1.00 0.00 H new ATOM 369 N ASP A 25 1.577 6.757 -4.245 1.00 0.00 N ATOM 370 CA ASP A 25 0.207 7.243 -4.132 1.00 0.00 C ATOM 371 C ASP A 25 -0.544 6.470 -3.059 1.00 0.00 C ATOM 372 O ASP A 25 -1.140 7.055 -2.155 1.00 0.00 O ATOM 373 CB ASP A 25 -0.523 7.111 -5.471 1.00 0.00 C ATOM 374 CG ASP A 25 0.058 8.013 -6.543 1.00 0.00 C ATOM 375 OD1 ASP A 25 0.930 8.844 -6.210 1.00 0.00 O ATOM 376 OD2 ASP A 25 -0.359 7.889 -7.712 1.00 0.00 O ATOM 0 H ASP A 25 1.808 6.350 -5.151 1.00 0.00 H new ATOM 0 HA ASP A 25 0.242 8.296 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.474 6.075 -5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.577 7.351 -5.331 1.00 0.00 H new ATOM 381 N LEU A 26 -0.507 5.148 -3.168 1.00 0.00 N ATOM 382 CA LEU A 26 -1.177 4.279 -2.212 1.00 0.00 C ATOM 383 C LEU A 26 -0.663 4.528 -0.797 1.00 0.00 C ATOM 384 O LEU A 26 -1.443 4.646 0.145 1.00 0.00 O ATOM 385 CB LEU A 26 -0.958 2.815 -2.597 1.00 0.00 C ATOM 386 CG LEU A 26 -2.117 1.874 -2.274 1.00 0.00 C ATOM 387 CD1 LEU A 26 -3.415 2.402 -2.864 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.829 0.473 -2.790 1.00 0.00 C ATOM 0 H LEU A 26 -0.017 4.653 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.244 4.502 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.758 2.764 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.065 2.452 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.226 1.826 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.229 1.718 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.631 3.385 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.317 2.482 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.666 -0.182 -2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.691 0.505 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.923 0.091 -2.320 1.00 0.00 H new ATOM 400 N LEU A 27 0.656 4.598 -0.664 1.00 0.00 N ATOM 401 CA LEU A 27 1.296 4.821 0.630 1.00 0.00 C ATOM 402 C LEU A 27 1.003 6.219 1.170 1.00 0.00 C ATOM 403 O LEU A 27 0.426 6.372 2.246 1.00 0.00 O ATOM 404 CB LEU A 27 2.809 4.622 0.501 1.00 0.00 C ATOM 405 CG LEU A 27 3.303 3.192 0.741 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.419 2.183 0.018 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.751 3.051 0.295 1.00 0.00 C ATOM 0 H LEU A 27 1.309 4.503 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 27 0.887 4.097 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.116 4.932 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.308 5.285 1.208 1.00 0.00 H new ATOM 0 HG LEU A 27 3.246 2.985 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.790 1.175 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.396 2.266 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.437 2.385 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.088 2.030 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.828 3.280 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.375 3.742 0.861 1.00 0.00 H new ATOM 419 N LYS A 28 1.418 7.237 0.421 1.00 0.00 N ATOM 420 CA LYS A 28 1.216 8.628 0.821 1.00 0.00 C ATOM 421 C LYS A 28 -0.213 8.877 1.303 1.00 0.00 C ATOM 422 O LYS A 28 -0.439 9.199 2.469 1.00 0.00 O ATOM 423 CB LYS A 28 1.541 9.561 -0.349 1.00 0.00 C ATOM 424 CG LYS A 28 1.599 11.031 0.034 1.00 0.00 C ATOM 425 CD LYS A 28 2.475 11.822 -0.926 1.00 0.00 C ATOM 426 CE LYS A 28 1.788 12.037 -2.266 1.00 0.00 C ATOM 427 NZ LYS A 28 2.455 13.099 -3.072 1.00 0.00 N ATOM 0 H LYS A 28 1.899 7.124 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 28 1.889 8.835 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.499 9.269 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.789 9.428 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.592 11.448 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.987 11.129 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.720 12.788 -0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.416 11.294 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.788 11.103 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.746 12.309 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.955 13.213 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.433 13.997 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.443 12.828 -3.254 1.00 0.00 H new ATOM 441 N LEU A 29 -1.170 8.741 0.392 1.00 0.00 N ATOM 442 CA LEU A 29 -2.577 8.966 0.713 1.00 0.00 C ATOM 443 C LEU A 29 -3.029 8.157 1.930 1.00 0.00 C ATOM 444 O LEU A 29 -3.774 8.660 2.772 1.00 0.00 O ATOM 445 CB LEU A 29 -3.455 8.627 -0.496 1.00 0.00 C ATOM 446 CG LEU A 29 -4.159 9.825 -1.137 1.00 0.00 C ATOM 447 CD1 LEU A 29 -5.006 10.561 -0.110 1.00 0.00 C ATOM 448 CD2 LEU A 29 -3.141 10.764 -1.768 1.00 0.00 C ATOM 0 H LEU A 29 -0.998 8.475 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.688 10.021 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.837 8.141 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.209 7.903 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.820 9.458 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.498 11.409 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.759 9.884 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.368 10.918 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.658 11.611 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.455 11.124 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.580 10.230 -2.535 1.00 0.00 H new ATOM 460 N GLU A 30 -2.595 6.902 2.016 1.00 0.00 N ATOM 461 CA GLU A 30 -2.987 6.043 3.132 1.00 0.00 C ATOM 462 C GLU A 30 -2.302 6.447 4.433 1.00 0.00 C ATOM 463 O GLU A 30 -2.726 6.033 5.512 1.00 0.00 O ATOM 464 CB GLU A 30 -2.681 4.578 2.822 1.00 0.00 C ATOM 465 CG GLU A 30 -3.800 3.864 2.080 1.00 0.00 C ATOM 466 CD GLU A 30 -5.015 3.614 2.953 1.00 0.00 C ATOM 467 OE1 GLU A 30 -5.456 4.555 3.645 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.526 2.475 2.948 1.00 0.00 O ATOM 0 H GLU A 30 -1.978 6.460 1.334 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.062 6.167 3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.770 4.524 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.483 4.052 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.095 4.459 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.429 2.912 1.700 1.00 0.00 H new ATOM 475 N GLY A 31 -1.255 7.261 4.339 1.00 0.00 N ATOM 476 CA GLY A 31 -0.561 7.701 5.534 1.00 0.00 C ATOM 477 C GLY A 31 0.654 6.854 5.875 1.00 0.00 C ATOM 478 O GLY A 31 1.052 6.780 7.037 1.00 0.00 O ATOM 0 H GLY A 31 -0.877 7.621 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.247 8.736 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.254 7.683 6.375 1.00 0.00 H new ATOM 482 N TRP A 32 1.255 6.222 4.868 1.00 0.00 N ATOM 483 CA TRP A 32 2.439 5.394 5.095 1.00 0.00 C ATOM 484 C TRP A 32 3.664 6.277 5.296 1.00 0.00 C ATOM 485 O TRP A 32 4.239 6.322 6.383 1.00 0.00 O ATOM 486 CB TRP A 32 2.677 4.435 3.923 1.00 0.00 C ATOM 487 CG TRP A 32 1.566 3.450 3.722 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.226 3.719 3.726 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.691 2.038 3.488 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.486 2.568 3.508 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.387 1.526 3.360 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.773 1.149 3.372 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.134 0.182 3.125 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.509 -0.188 3.139 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.200 -0.656 3.018 1.00 0.00 C ATOM 0 H TRP A 32 0.946 6.266 3.897 1.00 0.00 H new ATOM 0 HA TRP A 32 2.268 4.801 5.993 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.807 5.015 3.010 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.607 3.892 4.091 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.209 4.696 3.879 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.503 2.500 3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.789 1.503 3.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.877 -0.187 3.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.331 -0.883 3.049 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.030 -1.707 2.835 1.00 0.00 H new ATOM 506 N SER A 33 4.048 6.989 4.241 1.00 0.00 N ATOM 507 CA SER A 33 5.197 7.882 4.301 1.00 0.00 C ATOM 508 C SER A 33 4.737 9.326 4.466 1.00 0.00 C ATOM 509 O SER A 33 3.665 9.703 3.993 1.00 0.00 O ATOM 510 CB SER A 33 6.047 7.745 3.036 1.00 0.00 C ATOM 511 OG SER A 33 7.113 8.679 3.034 1.00 0.00 O ATOM 0 H SER A 33 3.580 6.964 3.335 1.00 0.00 H new ATOM 0 HA SER A 33 5.804 7.605 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.446 6.733 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.423 7.899 2.156 1.00 0.00 H new ATOM 0 HG SER A 33 7.874 8.306 2.541 1.00 0.00 H new ATOM 517 N GLU A 34 5.551 10.133 5.138 1.00 0.00 N ATOM 518 CA GLU A 34 5.215 11.535 5.358 1.00 0.00 C ATOM 519 C GLU A 34 5.536 12.361 4.119 1.00 0.00 C ATOM 520 O GLU A 34 4.834 13.317 3.795 1.00 0.00 O ATOM 521 CB GLU A 34 5.985 12.077 6.565 1.00 0.00 C ATOM 522 CG GLU A 34 5.155 12.139 7.837 1.00 0.00 C ATOM 523 CD GLU A 34 5.665 11.204 8.916 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.822 11.376 9.354 1.00 0.00 O ATOM 525 OE2 GLU A 34 4.905 10.300 9.326 1.00 0.00 O ATOM 0 H GLU A 34 6.443 9.843 5.538 1.00 0.00 H new ATOM 0 HA GLU A 34 4.146 11.609 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.858 11.449 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.353 13.076 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.156 13.161 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.121 11.887 7.603 1.00 0.00 H new ATOM 532 N SER A 35 6.595 11.971 3.424 1.00 0.00 N ATOM 533 CA SER A 35 7.012 12.655 2.208 1.00 0.00 C ATOM 534 C SER A 35 6.665 11.821 0.977 1.00 0.00 C ATOM 535 O SER A 35 6.375 12.359 -0.091 1.00 0.00 O ATOM 536 CB SER A 35 8.514 12.948 2.250 1.00 0.00 C ATOM 537 OG SER A 35 9.089 12.481 3.459 1.00 0.00 O ATOM 0 H SER A 35 7.184 11.180 3.683 1.00 0.00 H new ATOM 0 HA SER A 35 6.475 13.602 2.143 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.005 12.471 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.682 14.021 2.154 1.00 0.00 H new ATOM 0 HG SER A 35 9.803 13.092 3.739 1.00 0.00 H new ATOM 543 N GLY A 36 6.701 10.501 1.143 1.00 0.00 N ATOM 544 CA GLY A 36 6.392 9.602 0.045 1.00 0.00 C ATOM 545 C GLY A 36 7.495 8.587 -0.198 1.00 0.00 C ATOM 546 O GLY A 36 7.271 7.380 -0.102 1.00 0.00 O ATOM 0 H GLY A 36 6.939 10.038 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.460 9.078 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.230 10.183 -0.863 1.00 0.00 H new ATOM 550 N ALA A 37 8.689 9.080 -0.509 1.00 0.00 N ATOM 551 CA ALA A 37 9.839 8.215 -0.763 1.00 0.00 C ATOM 552 C ALA A 37 11.053 8.650 0.059 1.00 0.00 C ATOM 553 O ALA A 37 12.157 8.138 -0.128 1.00 0.00 O ATOM 554 CB ALA A 37 10.177 8.218 -2.247 1.00 0.00 C ATOM 0 H ALA A 37 8.888 10.077 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 37 9.575 7.202 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.035 7.570 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.322 7.853 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.416 9.233 -2.564 1.00 0.00 H new ATOM 560 N GLN A 38 10.838 9.605 0.960 1.00 0.00 N ATOM 561 CA GLN A 38 11.907 10.124 1.807 1.00 0.00 C ATOM 562 C GLN A 38 12.623 9.009 2.567 1.00 0.00 C ATOM 563 O GLN A 38 13.813 8.774 2.360 1.00 0.00 O ATOM 564 CB GLN A 38 11.340 11.142 2.793 1.00 0.00 C ATOM 565 CG GLN A 38 12.396 11.797 3.666 1.00 0.00 C ATOM 566 CD GLN A 38 13.105 12.936 2.963 1.00 0.00 C ATOM 567 OE1 GLN A 38 13.805 12.730 1.972 1.00 0.00 O ATOM 568 NE2 GLN A 38 12.925 14.150 3.474 1.00 0.00 N ATOM 0 H GLN A 38 9.928 10.037 1.122 1.00 0.00 H new ATOM 0 HA GLN A 38 12.639 10.606 1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.808 11.915 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.608 10.648 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.929 12.171 4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.129 11.048 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.336 14.275 4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.376 14.957 3.043 1.00 0.00 H new ATOM 577 N ALA A 39 11.897 8.334 3.455 1.00 0.00 N ATOM 578 CA ALA A 39 12.473 7.255 4.258 1.00 0.00 C ATOM 579 C ALA A 39 12.702 5.979 3.444 1.00 0.00 C ATOM 580 O ALA A 39 12.918 4.910 4.012 1.00 0.00 O ATOM 581 CB ALA A 39 11.577 6.962 5.454 1.00 0.00 C ATOM 0 H ALA A 39 10.910 8.514 3.638 1.00 0.00 H new ATOM 0 HA ALA A 39 13.450 7.593 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.013 6.158 6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.486 7.858 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.590 6.661 5.104 1.00 0.00 H new ATOM 587 N LYS A 40 12.659 6.092 2.116 1.00 0.00 N ATOM 588 CA LYS A 40 12.865 4.943 1.237 1.00 0.00 C ATOM 589 C LYS A 40 11.666 3.998 1.273 1.00 0.00 C ATOM 590 O LYS A 40 11.747 2.864 0.801 1.00 0.00 O ATOM 591 CB LYS A 40 14.141 4.187 1.620 1.00 0.00 C ATOM 592 CG LYS A 40 15.350 5.090 1.811 1.00 0.00 C ATOM 593 CD LYS A 40 15.999 5.440 0.482 1.00 0.00 C ATOM 594 CE LYS A 40 17.247 4.609 0.236 1.00 0.00 C ATOM 595 NZ LYS A 40 17.796 4.824 -1.132 1.00 0.00 N ATOM 0 H LYS A 40 12.483 6.969 1.626 1.00 0.00 H new ATOM 0 HA LYS A 40 12.973 5.322 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.962 3.633 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.365 3.453 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.046 6.004 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.078 4.594 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.286 5.276 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.257 6.499 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.005 4.865 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.013 3.553 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.647 4.240 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.082 4.556 -1.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.044 5.827 -1.253 1.00 0.00 H new ATOM 609 N ILE A 41 10.550 4.473 1.823 1.00 0.00 N ATOM 610 CA ILE A 41 9.336 3.669 1.903 1.00 0.00 C ATOM 611 C ILE A 41 8.787 3.376 0.505 1.00 0.00 C ATOM 612 O ILE A 41 7.944 2.497 0.327 1.00 0.00 O ATOM 613 CB ILE A 41 8.254 4.375 2.752 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.757 4.586 4.183 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.955 3.577 2.759 1.00 0.00 C ATOM 616 CD1 ILE A 41 8.386 5.932 4.766 1.00 0.00 C ATOM 0 H ILE A 41 10.463 5.409 2.219 1.00 0.00 H new ATOM 0 HA ILE A 41 9.597 2.728 2.386 1.00 0.00 H new ATOM 0 HB ILE A 41 8.051 5.347 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.352 3.800 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.842 4.481 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.212 4.097 3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.585 3.475 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.138 2.588 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.776 6.009 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.813 6.725 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.301 6.033 4.786 1.00 0.00 H new ATOM 628 N ALA A 42 9.275 4.117 -0.490 1.00 0.00 N ATOM 629 CA ALA A 42 8.836 3.932 -1.866 1.00 0.00 C ATOM 630 C ALA A 42 9.391 2.634 -2.449 1.00 0.00 C ATOM 631 O ALA A 42 8.691 1.622 -2.507 1.00 0.00 O ATOM 632 CB ALA A 42 9.253 5.125 -2.715 1.00 0.00 C ATOM 0 H ALA A 42 9.974 4.849 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 42 7.748 3.862 -1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.919 4.975 -3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.800 6.032 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.338 5.223 -2.697 1.00 0.00 H new ATOM 638 N ILE A 43 10.653 2.660 -2.875 1.00 0.00 N ATOM 639 CA ILE A 43 11.282 1.470 -3.444 1.00 0.00 C ATOM 640 C ILE A 43 11.127 0.283 -2.503 1.00 0.00 C ATOM 641 O ILE A 43 11.001 -0.861 -2.941 1.00 0.00 O ATOM 642 CB ILE A 43 12.785 1.678 -3.725 1.00 0.00 C ATOM 643 CG1 ILE A 43 13.034 3.018 -4.421 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.322 0.533 -4.571 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.247 3.192 -5.700 1.00 0.00 C ATOM 0 H ILE A 43 11.254 3.483 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 43 10.776 1.276 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 43 13.313 1.691 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.780 3.827 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.097 3.110 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.383 0.690 -4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.185 -0.408 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.783 0.496 -5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.474 4.164 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.518 2.405 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.181 3.132 -5.482 1.00 0.00 H new ATOM 657 N ALA A 44 11.133 0.571 -1.204 1.00 0.00 N ATOM 658 CA ALA A 44 10.990 -0.464 -0.193 1.00 0.00 C ATOM 659 C ALA A 44 9.634 -1.145 -0.309 1.00 0.00 C ATOM 660 O ALA A 44 9.547 -2.294 -0.739 1.00 0.00 O ATOM 661 CB ALA A 44 11.176 0.125 1.199 1.00 0.00 C ATOM 0 H ALA A 44 11.236 1.514 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 44 11.763 -1.215 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.066 -0.662 1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.171 0.564 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.425 0.896 1.371 1.00 0.00 H new ATOM 667 N GLU A 45 8.574 -0.433 0.081 1.00 0.00 N ATOM 668 CA GLU A 45 7.216 -0.976 0.023 1.00 0.00 C ATOM 669 C GLU A 45 7.037 -1.882 -1.190 1.00 0.00 C ATOM 670 O GLU A 45 6.429 -2.948 -1.097 1.00 0.00 O ATOM 671 CB GLU A 45 6.184 0.151 -0.010 1.00 0.00 C ATOM 672 CG GLU A 45 4.749 -0.340 0.097 1.00 0.00 C ATOM 673 CD GLU A 45 4.151 -0.691 -1.252 1.00 0.00 C ATOM 674 OE1 GLU A 45 3.957 0.228 -2.075 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.876 -1.887 -1.483 1.00 0.00 O ATOM 0 H GLU A 45 8.630 0.520 0.440 1.00 0.00 H new ATOM 0 HA GLU A 45 7.060 -1.571 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.386 0.842 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.300 0.712 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.716 -1.216 0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.140 0.430 0.571 1.00 0.00 H new ATOM 682 N GLY A 46 7.593 -1.462 -2.319 1.00 0.00 N ATOM 683 CA GLY A 46 7.505 -2.267 -3.520 1.00 0.00 C ATOM 684 C GLY A 46 8.212 -3.594 -3.335 1.00 0.00 C ATOM 685 O GLY A 46 7.571 -4.638 -3.203 1.00 0.00 O ATOM 0 H GLY A 46 8.100 -0.583 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.458 -2.440 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.948 -1.728 -4.357 1.00 0.00 H new ATOM 689 N GLN A 47 9.543 -3.547 -3.337 1.00 0.00 N ATOM 690 CA GLN A 47 10.377 -4.742 -3.178 1.00 0.00 C ATOM 691 C GLN A 47 9.936 -5.629 -2.004 1.00 0.00 C ATOM 692 O GLN A 47 10.436 -6.744 -1.850 1.00 0.00 O ATOM 693 CB GLN A 47 11.840 -4.332 -2.990 1.00 0.00 C ATOM 694 CG GLN A 47 12.124 -3.686 -1.642 1.00 0.00 C ATOM 695 CD GLN A 47 13.087 -4.495 -0.795 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.262 -4.637 -1.133 1.00 0.00 O ATOM 697 NE2 GLN A 47 12.591 -5.031 0.315 1.00 0.00 N ATOM 0 H GLN A 47 10.074 -2.684 -3.448 1.00 0.00 H new ATOM 0 HA GLN A 47 10.261 -5.332 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.472 -5.213 -3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.118 -3.637 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.536 -2.689 -1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.187 -3.561 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.610 -4.888 0.557 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.191 -5.586 0.926 1.00 0.00 H new ATOM 706 N VAL A 48 9.016 -5.141 -1.172 1.00 0.00 N ATOM 707 CA VAL A 48 8.556 -5.920 -0.029 1.00 0.00 C ATOM 708 C VAL A 48 7.621 -7.044 -0.483 1.00 0.00 C ATOM 709 O VAL A 48 8.090 -8.139 -0.788 1.00 0.00 O ATOM 710 CB VAL A 48 7.852 -5.041 1.029 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.398 -5.887 2.212 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.776 -3.923 1.492 1.00 0.00 C ATOM 0 H VAL A 48 8.581 -4.223 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 48 9.440 -6.355 0.437 1.00 0.00 H new ATOM 0 HB VAL A 48 6.970 -4.591 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.905 -5.250 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.701 -6.651 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.263 -6.366 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.265 -3.313 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.676 -4.353 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.050 -3.301 0.640 1.00 0.00 H new ATOM 722 N LYS A 49 6.312 -6.792 -0.538 1.00 0.00 N ATOM 723 CA LYS A 49 5.378 -7.828 -0.971 1.00 0.00 C ATOM 724 C LYS A 49 3.994 -7.254 -1.266 1.00 0.00 C ATOM 725 O LYS A 49 3.337 -6.717 -0.376 1.00 0.00 O ATOM 726 CB LYS A 49 5.261 -8.917 0.107 1.00 0.00 C ATOM 727 CG LYS A 49 6.067 -10.176 -0.187 1.00 0.00 C ATOM 728 CD LYS A 49 5.340 -11.097 -1.155 1.00 0.00 C ATOM 729 CE LYS A 49 5.216 -12.509 -0.605 1.00 0.00 C ATOM 730 NZ LYS A 49 3.936 -13.150 -1.013 1.00 0.00 N ATOM 0 H LYS A 49 5.883 -5.899 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 49 5.770 -8.259 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.588 -8.504 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.212 -9.189 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.035 -9.899 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.263 -10.708 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.347 -10.698 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.875 -11.122 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.053 -13.111 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.279 -12.482 0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.888 -14.111 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.137 -12.589 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.887 -13.198 -2.051 1.00 0.00 H new ATOM 744 N VAL A 50 3.538 -7.400 -2.509 1.00 0.00 N ATOM 745 CA VAL A 50 2.214 -6.926 -2.886 1.00 0.00 C ATOM 746 C VAL A 50 1.329 -8.117 -3.230 1.00 0.00 C ATOM 747 O VAL A 50 1.830 -9.182 -3.589 1.00 0.00 O ATOM 748 CB VAL A 50 2.258 -5.958 -4.084 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.896 -5.318 -4.302 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.326 -4.894 -3.879 1.00 0.00 C ATOM 0 H VAL A 50 4.064 -7.840 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 50 1.806 -6.379 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 50 2.516 -6.529 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.946 -4.637 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.157 -6.094 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.608 -4.763 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.339 -4.222 -4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.104 -4.325 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.301 -5.372 -3.777 1.00 0.00 H new ATOM 760 N ASP A 51 0.020 -7.947 -3.096 1.00 0.00 N ATOM 761 CA ASP A 51 -0.923 -9.028 -3.374 1.00 0.00 C ATOM 762 C ASP A 51 -0.577 -9.756 -4.668 1.00 0.00 C ATOM 763 O ASP A 51 -0.916 -9.302 -5.762 1.00 0.00 O ATOM 764 CB ASP A 51 -2.340 -8.476 -3.455 1.00 0.00 C ATOM 765 CG ASP A 51 -3.395 -9.530 -3.177 1.00 0.00 C ATOM 766 OD1 ASP A 51 -3.051 -10.729 -3.172 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.568 -9.153 -2.964 1.00 0.00 O ATOM 0 H ASP A 51 -0.414 -7.074 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.856 -9.746 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.449 -7.661 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.505 -8.055 -4.447 1.00 0.00 H new ATOM 772 N GLY A 52 0.105 -10.889 -4.530 1.00 0.00 N ATOM 773 CA GLY A 52 0.493 -11.666 -5.689 1.00 0.00 C ATOM 774 C GLY A 52 1.420 -10.901 -6.611 1.00 0.00 C ATOM 775 O GLY A 52 1.532 -11.220 -7.795 1.00 0.00 O ATOM 0 H GLY A 52 0.395 -11.282 -3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.985 -12.582 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.400 -11.963 -6.240 1.00 0.00 H new ATOM 779 N ALA A 53 2.083 -9.883 -6.070 1.00 0.00 N ATOM 780 CA ALA A 53 2.999 -9.071 -6.858 1.00 0.00 C ATOM 781 C ALA A 53 4.190 -8.593 -6.028 1.00 0.00 C ATOM 782 O ALA A 53 4.218 -7.457 -5.554 1.00 0.00 O ATOM 783 CB ALA A 53 2.261 -7.885 -7.464 1.00 0.00 C ATOM 0 H ALA A 53 2.002 -9.603 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 53 3.390 -9.696 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.956 -7.285 -8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.460 -8.246 -8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.838 -7.274 -6.667 1.00 0.00 H new ATOM 789 N VAL A 54 5.169 -9.466 -5.838 1.00 0.00 N ATOM 790 CA VAL A 54 6.350 -9.120 -5.059 1.00 0.00 C ATOM 791 C VAL A 54 7.424 -8.483 -5.943 1.00 0.00 C ATOM 792 O VAL A 54 8.519 -9.026 -6.100 1.00 0.00 O ATOM 793 CB VAL A 54 6.930 -10.360 -4.350 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.414 -11.389 -5.360 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.049 -9.960 -3.403 1.00 0.00 C ATOM 0 H VAL A 54 5.170 -10.415 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 54 6.041 -8.397 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 54 6.134 -10.819 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.818 -12.253 -4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.580 -11.704 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.191 -10.948 -5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.445 -10.849 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.844 -9.471 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.661 -9.273 -2.651 1.00 0.00 H new ATOM 805 N GLU A 55 7.101 -7.329 -6.524 1.00 0.00 N ATOM 806 CA GLU A 55 8.036 -6.624 -7.399 1.00 0.00 C ATOM 807 C GLU A 55 8.705 -5.458 -6.672 1.00 0.00 C ATOM 808 O GLU A 55 8.419 -5.197 -5.504 1.00 0.00 O ATOM 809 CB GLU A 55 7.315 -6.116 -8.651 1.00 0.00 C ATOM 810 CG GLU A 55 6.263 -7.078 -9.187 1.00 0.00 C ATOM 811 CD GLU A 55 6.540 -7.514 -10.613 1.00 0.00 C ATOM 812 OE1 GLU A 55 6.231 -6.738 -11.542 1.00 0.00 O ATOM 813 OE2 GLU A 55 7.065 -8.632 -10.801 1.00 0.00 O ATOM 0 H GLU A 55 6.201 -6.863 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 55 8.812 -7.330 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.839 -5.162 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.052 -5.926 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.220 -7.957 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.284 -6.601 -9.141 1.00 0.00 H new ATOM 820 N THR A 56 9.603 -4.766 -7.370 1.00 0.00 N ATOM 821 CA THR A 56 10.320 -3.633 -6.787 1.00 0.00 C ATOM 822 C THR A 56 10.459 -2.479 -7.778 1.00 0.00 C ATOM 823 O THR A 56 11.510 -1.842 -7.855 1.00 0.00 O ATOM 824 CB THR A 56 11.707 -4.076 -6.321 1.00 0.00 C ATOM 825 OG1 THR A 56 12.455 -2.967 -5.851 1.00 0.00 O ATOM 826 CG2 THR A 56 12.517 -4.748 -7.410 1.00 0.00 C ATOM 0 H THR A 56 9.851 -4.969 -8.338 1.00 0.00 H new ATOM 0 HA THR A 56 9.738 -3.279 -5.936 1.00 0.00 H new ATOM 0 HB THR A 56 11.529 -4.799 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.542 -2.304 -6.567 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.490 -5.038 -7.013 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.990 -5.635 -7.761 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.655 -4.056 -8.240 1.00 0.00 H new ATOM 834 N ARG A 57 9.401 -2.213 -8.537 1.00 0.00 N ATOM 835 CA ARG A 57 9.421 -1.134 -9.520 1.00 0.00 C ATOM 836 C ARG A 57 9.021 0.196 -8.882 1.00 0.00 C ATOM 837 O ARG A 57 8.637 0.242 -7.713 1.00 0.00 O ATOM 838 CB ARG A 57 8.484 -1.461 -10.685 1.00 0.00 C ATOM 839 CG ARG A 57 8.529 -2.920 -11.119 1.00 0.00 C ATOM 840 CD ARG A 57 7.199 -3.371 -11.701 1.00 0.00 C ATOM 841 NE ARG A 57 7.380 -4.217 -12.878 1.00 0.00 N ATOM 842 CZ ARG A 57 7.949 -3.801 -14.008 1.00 0.00 C ATOM 843 NH1 ARG A 57 8.370 -2.547 -14.124 1.00 0.00 N ATOM 844 NH2 ARG A 57 8.093 -4.639 -15.024 1.00 0.00 N ATOM 0 H ARG A 57 8.521 -2.727 -8.491 1.00 0.00 H new ATOM 0 HA ARG A 57 10.439 -1.039 -9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.463 -1.208 -10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.743 -0.830 -11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.316 -3.056 -11.861 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.784 -3.547 -10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.638 -3.918 -10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.605 -2.497 -11.969 1.00 0.00 H new ATOM 0 HE ARG A 57 7.052 -5.182 -12.832 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.258 -1.897 -13.346 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.805 -2.233 -14.992 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.768 -5.602 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.529 -4.321 -15.890 1.00 0.00 H new ATOM 858 N LYS A 58 9.115 1.275 -9.657 1.00 0.00 N ATOM 859 CA LYS A 58 8.760 2.602 -9.166 1.00 0.00 C ATOM 860 C LYS A 58 7.248 2.761 -9.082 1.00 0.00 C ATOM 861 O LYS A 58 6.710 3.169 -8.052 1.00 0.00 O ATOM 862 CB LYS A 58 9.354 3.683 -10.074 1.00 0.00 C ATOM 863 CG LYS A 58 10.874 3.705 -10.079 1.00 0.00 C ATOM 864 CD LYS A 58 11.426 3.863 -11.488 1.00 0.00 C ATOM 865 CE LYS A 58 12.944 3.958 -11.485 1.00 0.00 C ATOM 866 NZ LYS A 58 13.581 2.695 -11.017 1.00 0.00 N ATOM 0 H LYS A 58 9.434 1.255 -10.626 1.00 0.00 H new ATOM 0 HA LYS A 58 9.175 2.716 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.998 3.527 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.986 4.658 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.229 4.525 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.253 2.782 -9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.115 3.016 -12.099 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.005 4.758 -11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.295 4.190 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.255 4.781 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.612 2.759 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.362 2.548 -10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.214 1.895 -11.571 1.00 0.00 H new ATOM 880 N ARG A 59 6.564 2.425 -10.170 1.00 0.00 N ATOM 881 CA ARG A 59 5.111 2.517 -10.219 1.00 0.00 C ATOM 882 C ARG A 59 4.492 1.127 -10.158 1.00 0.00 C ATOM 883 O ARG A 59 4.969 0.198 -10.809 1.00 0.00 O ATOM 884 CB ARG A 59 4.655 3.243 -11.490 1.00 0.00 C ATOM 885 CG ARG A 59 5.308 2.730 -12.766 1.00 0.00 C ATOM 886 CD ARG A 59 5.862 3.872 -13.603 1.00 0.00 C ATOM 887 NE ARG A 59 5.875 3.550 -15.028 1.00 0.00 N ATOM 888 CZ ARG A 59 6.690 2.655 -15.579 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.565 1.992 -14.831 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.629 2.419 -16.882 1.00 0.00 N ATOM 0 H ARG A 59 6.994 2.086 -11.031 1.00 0.00 H new ATOM 0 HA ARG A 59 4.775 3.091 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.573 3.145 -11.583 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.871 4.306 -11.386 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.112 2.039 -12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.578 2.169 -13.350 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.261 4.766 -13.439 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.875 4.104 -13.274 1.00 0.00 H new ATOM 0 HE ARG A 59 5.220 4.041 -15.637 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.615 2.168 -13.828 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.187 1.307 -15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.958 2.924 -17.461 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.254 1.733 -17.306 1.00 0.00 H new ATOM 904 N CYS A 60 3.434 0.984 -9.367 1.00 0.00 N ATOM 905 CA CYS A 60 2.768 -0.302 -9.225 1.00 0.00 C ATOM 906 C CYS A 60 1.513 -0.365 -10.084 1.00 0.00 C ATOM 907 O CYS A 60 0.553 0.371 -9.857 1.00 0.00 O ATOM 908 CB CYS A 60 2.408 -0.551 -7.758 1.00 0.00 C ATOM 909 SG CYS A 60 2.601 -2.270 -7.230 1.00 0.00 S ATOM 0 H CYS A 60 3.022 1.739 -8.818 1.00 0.00 H new ATOM 0 HA CYS A 60 3.455 -1.078 -9.563 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.033 0.083 -7.129 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.375 -0.245 -7.592 1.00 0.00 H new ATOM 0 HG CYS A 60 2.275 -2.378 -5.976 1.00 0.00 H new ATOM 915 N LYS A 61 1.520 -1.258 -11.066 1.00 0.00 N ATOM 916 CA LYS A 61 0.375 -1.424 -11.949 1.00 0.00 C ATOM 917 C LYS A 61 -0.609 -2.411 -11.340 1.00 0.00 C ATOM 918 O LYS A 61 -0.684 -3.569 -11.751 1.00 0.00 O ATOM 919 CB LYS A 61 0.824 -1.900 -13.330 1.00 0.00 C ATOM 920 CG LYS A 61 1.205 -0.768 -14.269 1.00 0.00 C ATOM 921 CD LYS A 61 2.390 -1.141 -15.143 1.00 0.00 C ATOM 922 CE LYS A 61 3.699 -1.063 -14.372 1.00 0.00 C ATOM 923 NZ LYS A 61 4.694 -2.058 -14.862 1.00 0.00 N ATOM 0 H LYS A 61 2.305 -1.877 -11.270 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.119 -0.460 -12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.677 -2.568 -13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.022 -2.482 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.353 -0.515 -14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.447 0.122 -13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.254 -2.151 -15.530 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.433 -0.473 -16.003 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.114 -0.059 -14.463 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.507 -1.233 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.572 -1.972 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.309 -3.018 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.897 -1.880 -15.866 1.00 0.00 H new ATOM 937 N ILE A 62 -1.350 -1.945 -10.342 1.00 0.00 N ATOM 938 CA ILE A 62 -2.320 -2.782 -9.650 1.00 0.00 C ATOM 939 C ILE A 62 -3.650 -2.056 -9.488 1.00 0.00 C ATOM 940 O ILE A 62 -3.686 -0.849 -9.245 1.00 0.00 O ATOM 941 CB ILE A 62 -1.808 -3.192 -8.255 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.287 -3.393 -8.273 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.518 -4.450 -7.776 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.163 -4.610 -9.054 1.00 0.00 C ATOM 0 H ILE A 62 -1.297 -0.988 -9.993 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.463 -3.675 -10.259 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.032 -2.387 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.182 -2.506 -8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.070 -3.480 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.145 -4.725 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.590 -4.263 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.328 -5.264 -8.476 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.250 -4.683 -9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.275 -5.506 -8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.162 -4.518 -10.090 1.00 0.00 H new ATOM 956 N VAL A 63 -4.740 -2.800 -9.622 1.00 0.00 N ATOM 957 CA VAL A 63 -6.076 -2.235 -9.491 1.00 0.00 C ATOM 958 C VAL A 63 -7.035 -3.253 -8.887 1.00 0.00 C ATOM 959 O VAL A 63 -6.669 -4.408 -8.666 1.00 0.00 O ATOM 960 CB VAL A 63 -6.636 -1.770 -10.850 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.110 -0.387 -11.200 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.295 -2.770 -11.944 1.00 0.00 C ATOM 0 H VAL A 63 -4.724 -3.800 -9.822 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.990 -1.371 -8.832 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.722 -1.712 -10.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.516 -0.076 -12.162 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.414 0.323 -10.431 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.022 -0.415 -11.258 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.700 -2.422 -12.894 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.212 -2.866 -12.024 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.728 -3.740 -11.699 1.00 0.00 H new ATOM 972 N ALA A 64 -8.265 -2.824 -8.625 1.00 0.00 N ATOM 973 CA ALA A 64 -9.278 -3.705 -8.053 1.00 0.00 C ATOM 974 C ALA A 64 -9.016 -3.963 -6.566 1.00 0.00 C ATOM 975 O ALA A 64 -8.380 -3.152 -5.892 1.00 0.00 O ATOM 976 CB ALA A 64 -9.336 -5.016 -8.832 1.00 0.00 C ATOM 0 H ALA A 64 -8.585 -1.871 -8.800 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.245 -3.209 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.095 -5.665 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.588 -4.810 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.366 -5.510 -8.785 1.00 0.00 H new ATOM 982 N GLY A 65 -9.511 -5.093 -6.064 1.00 0.00 N ATOM 983 CA GLY A 65 -9.334 -5.438 -4.670 1.00 0.00 C ATOM 984 C GLY A 65 -8.014 -6.125 -4.407 1.00 0.00 C ATOM 985 O GLY A 65 -7.946 -7.351 -4.319 1.00 0.00 O ATOM 0 H GLY A 65 -10.036 -5.779 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.396 -4.534 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.148 -6.090 -4.354 1.00 0.00 H new ATOM 989 N GLN A 66 -6.965 -5.327 -4.291 1.00 0.00 N ATOM 990 CA GLN A 66 -5.626 -5.852 -4.048 1.00 0.00 C ATOM 991 C GLN A 66 -5.029 -5.275 -2.766 1.00 0.00 C ATOM 992 O GLN A 66 -5.431 -4.208 -2.301 1.00 0.00 O ATOM 993 CB GLN A 66 -4.712 -5.532 -5.232 1.00 0.00 C ATOM 994 CG GLN A 66 -5.292 -5.943 -6.575 1.00 0.00 C ATOM 995 CD GLN A 66 -4.674 -7.221 -7.107 1.00 0.00 C ATOM 996 OE1 GLN A 66 -4.302 -8.110 -6.340 1.00 0.00 O ATOM 997 NE2 GLN A 66 -4.561 -7.319 -8.426 1.00 0.00 N ATOM 0 H GLN A 66 -7.013 -4.311 -4.361 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.706 -6.933 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.510 -4.461 -5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.756 -6.035 -5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.369 -6.078 -6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.136 -5.140 -7.296 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.883 -6.557 -9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.152 -8.156 -8.842 1.00 0.00 H new ATOM 1006 N THR A 67 -4.077 -6.006 -2.196 1.00 0.00 N ATOM 1007 CA THR A 67 -3.418 -5.604 -0.955 1.00 0.00 C ATOM 1008 C THR A 67 -1.940 -5.277 -1.178 1.00 0.00 C ATOM 1009 O THR A 67 -1.304 -5.809 -2.087 1.00 0.00 O ATOM 1010 CB THR A 67 -3.537 -6.729 0.079 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.745 -7.446 -0.091 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.489 -6.246 1.513 1.00 0.00 C ATOM 0 H THR A 67 -3.740 -6.890 -2.578 1.00 0.00 H new ATOM 0 HA THR A 67 -3.913 -4.703 -0.592 1.00 0.00 H new ATOM 0 HB THR A 67 -2.670 -7.365 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.799 -8.160 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.579 -7.098 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.542 -5.738 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.312 -5.554 1.691 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.401 -4.406 -0.324 1.00 0.00 N ATOM 1021 CA VAL A 68 0.003 -4.004 -0.395 1.00 0.00 C ATOM 1022 C VAL A 68 0.666 -4.201 0.975 1.00 0.00 C ATOM 1023 O VAL A 68 0.007 -4.062 2.006 1.00 0.00 O ATOM 1024 CB VAL A 68 0.132 -2.527 -0.864 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.858 -1.664 0.160 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.829 -2.451 -2.217 1.00 0.00 C ATOM 0 H VAL A 68 -1.922 -3.962 0.432 1.00 0.00 H new ATOM 0 HA VAL A 68 0.513 -4.630 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.878 -2.131 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.925 -0.641 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.308 -1.675 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.861 -2.058 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.909 -1.409 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.826 -2.884 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.251 -3.006 -2.956 1.00 0.00 H new ATOM 1036 N SER A 69 1.957 -4.545 0.994 1.00 0.00 N ATOM 1037 CA SER A 69 2.650 -4.777 2.263 1.00 0.00 C ATOM 1038 C SER A 69 4.102 -4.287 2.251 1.00 0.00 C ATOM 1039 O SER A 69 4.844 -4.498 1.282 1.00 0.00 O ATOM 1040 CB SER A 69 2.617 -6.266 2.614 1.00 0.00 C ATOM 1041 OG SER A 69 1.311 -6.679 2.977 1.00 0.00 O ATOM 0 H SER A 69 2.534 -4.667 0.162 1.00 0.00 H new ATOM 0 HA SER A 69 2.120 -4.197 3.019 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.962 -6.851 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.305 -6.464 3.436 1.00 0.00 H new ATOM 0 HG SER A 69 1.319 -7.635 3.195 1.00 0.00 H new ATOM 1047 N PHE A 70 4.495 -3.653 3.361 1.00 0.00 N ATOM 1048 CA PHE A 70 5.852 -3.133 3.547 1.00 0.00 C ATOM 1049 C PHE A 70 6.272 -3.274 5.009 1.00 0.00 C ATOM 1050 O PHE A 70 5.615 -2.736 5.898 1.00 0.00 O ATOM 1051 CB PHE A 70 5.923 -1.656 3.137 1.00 0.00 C ATOM 1052 CG PHE A 70 7.235 -0.980 3.450 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.392 -1.718 3.650 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.304 0.400 3.549 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.589 -1.093 3.945 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.498 1.029 3.842 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.641 0.282 4.042 1.00 0.00 C ATOM 0 H PHE A 70 3.879 -3.486 4.157 1.00 0.00 H new ATOM 0 HA PHE A 70 6.529 -3.710 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.737 -1.581 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.121 -1.114 3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.357 -2.795 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.413 0.991 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.482 -1.680 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.537 2.106 3.915 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.575 0.773 4.274 1.00 0.00 H new ATOM 1067 N ALA A 71 7.368 -3.990 5.249 1.00 0.00 N ATOM 1068 CA ALA A 71 7.877 -4.194 6.605 1.00 0.00 C ATOM 1069 C ALA A 71 6.766 -4.641 7.555 1.00 0.00 C ATOM 1070 O ALA A 71 6.574 -5.836 7.779 1.00 0.00 O ATOM 1071 CB ALA A 71 8.543 -2.921 7.116 1.00 0.00 C ATOM 0 H ALA A 71 7.923 -4.440 4.521 1.00 0.00 H new ATOM 0 HA ALA A 71 8.621 -4.990 6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.917 -3.087 8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.373 -2.656 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.816 -2.109 7.127 1.00 0.00 H new ATOM 1077 N GLY A 72 6.033 -3.675 8.104 1.00 0.00 N ATOM 1078 CA GLY A 72 4.949 -3.990 9.013 1.00 0.00 C ATOM 1079 C GLY A 72 3.637 -3.350 8.606 1.00 0.00 C ATOM 1080 O GLY A 72 2.604 -3.602 9.226 1.00 0.00 O ATOM 0 H GLY A 72 6.173 -2.679 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.822 -5.072 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.214 -3.658 10.017 1.00 0.00 H new ATOM 1084 N HIS A 73 3.671 -2.513 7.573 1.00 0.00 N ATOM 1085 CA HIS A 73 2.468 -1.841 7.115 1.00 0.00 C ATOM 1086 C HIS A 73 1.724 -2.688 6.084 1.00 0.00 C ATOM 1087 O HIS A 73 2.134 -2.774 4.927 1.00 0.00 O ATOM 1088 CB HIS A 73 2.808 -0.474 6.511 1.00 0.00 C ATOM 1089 CG HIS A 73 3.835 0.299 7.282 1.00 0.00 C ATOM 1090 ND1 HIS A 73 4.323 -0.102 8.507 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.469 1.464 6.992 1.00 0.00 C ATOM 1092 CE1 HIS A 73 5.208 0.778 8.939 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.315 1.736 8.039 1.00 0.00 N ATOM 0 H HIS A 73 4.513 -2.288 7.044 1.00 0.00 H new ATOM 0 HA HIS A 73 1.821 -1.697 7.980 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.167 -0.619 5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.896 0.119 6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.333 2.064 6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.752 0.723 9.871 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.928 2.548 8.109 1.00 0.00 H new ATOM 1101 N SER A 74 0.627 -3.306 6.510 1.00 0.00 N ATOM 1102 CA SER A 74 -0.174 -4.140 5.619 1.00 0.00 C ATOM 1103 C SER A 74 -1.576 -3.562 5.449 1.00 0.00 C ATOM 1104 O SER A 74 -2.402 -3.629 6.360 1.00 0.00 O ATOM 1105 CB SER A 74 -0.258 -5.569 6.158 1.00 0.00 C ATOM 1106 OG SER A 74 0.766 -5.818 7.104 1.00 0.00 O ATOM 0 H SER A 74 0.272 -3.246 7.464 1.00 0.00 H new ATOM 0 HA SER A 74 0.313 -4.158 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.232 -5.730 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.176 -6.277 5.334 1.00 0.00 H new ATOM 0 HG SER A 74 0.689 -6.737 7.435 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.835 -2.989 4.279 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.133 -2.392 3.985 1.00 0.00 C ATOM 1114 C VAL A 75 -3.718 -2.962 2.698 1.00 0.00 C ATOM 1115 O VAL A 75 -2.984 -3.447 1.838 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.017 -0.865 3.845 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.382 -0.229 3.670 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.292 -0.269 5.043 1.00 0.00 C ATOM 0 H VAL A 75 -1.161 -2.925 3.516 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.794 -2.630 4.819 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.431 -0.652 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.271 0.851 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.856 -0.627 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.002 -0.454 4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.221 0.812 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.845 -0.498 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.290 -0.694 5.110 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.040 -2.901 2.571 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.716 -3.418 1.387 1.00 0.00 C ATOM 1130 C GLN A 76 -6.336 -2.290 0.575 1.00 0.00 C ATOM 1131 O GLN A 76 -6.583 -1.199 1.090 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.792 -4.429 1.792 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.570 -5.814 1.208 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.868 -6.549 0.936 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -8.842 -6.411 1.677 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.889 -7.339 -0.133 1.00 0.00 N ATOM 0 H GLN A 76 -5.663 -2.500 3.272 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.974 -3.918 0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.821 -4.502 2.879 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.766 -4.060 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.005 -5.726 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.962 -6.401 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.059 -7.425 -0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.735 -7.860 -0.366 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.570 -2.557 -0.705 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.146 -1.565 -1.602 1.00 0.00 C ATOM 1147 C VAL A 77 -8.154 -2.197 -2.553 1.00 0.00 C ATOM 1148 O VAL A 77 -8.010 -3.353 -2.948 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.049 -0.870 -2.433 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.635 0.269 -3.254 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.930 -0.371 -1.532 1.00 0.00 C ATOM 0 H VAL A 77 -6.369 -3.455 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.654 -0.829 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.628 -1.601 -3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.843 0.745 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.394 -0.123 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.088 1.002 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.166 0.116 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.333 0.342 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.489 -1.213 -0.999 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.170 -1.426 -2.922 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.202 -1.897 -3.835 1.00 0.00 C ATOM 1163 C VAL A 78 -10.595 -0.799 -4.817 1.00 0.00 C ATOM 1164 O VAL A 78 -10.083 0.318 -4.748 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.454 -2.379 -3.078 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.155 -3.657 -2.309 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -11.966 -1.294 -2.144 1.00 0.00 C ATOM 0 H VAL A 78 -9.301 -0.467 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.784 -2.741 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.235 -2.595 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.051 -3.982 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.842 -4.435 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.357 -3.471 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.851 -1.654 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.191 -1.042 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.224 -0.407 -2.723 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.503 -1.122 -5.730 1.00 0.00 N ATOM 1178 CA ALA A 79 -11.957 -0.157 -6.724 1.00 0.00 C ATOM 1179 C ALA A 79 -12.926 0.848 -6.110 1.00 0.00 C ATOM 1180 O ALA A 79 -13.108 1.932 -6.703 1.00 0.00 O ATOM 1181 CB ALA A 79 -12.604 -0.873 -7.899 1.00 0.00 C ATOM 1182 OXT ALA A 79 -13.493 0.544 -5.039 1.00 0.00 O ATOM 0 H ALA A 79 -11.938 -2.042 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.088 0.393 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.938 -0.140 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.879 -1.544 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.459 -1.450 -7.547 1.00 0.00 H new TER 1188 ALA A 79