USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 739 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 43 ASN :FLIP amide:sc= -0.971 F(o=-2.7,f=-1.8) USER MOD Set 1.2: A 45 THR OG1 : rot 97:sc= -0.805 USER MOD Set 2.1: A 35 SER OG : rot -159:sc= -1.29 USER MOD Set 2.2: A 83 ASN : amide:sc= -2.36! C(o=-3.6!,f=-13!) USER MOD Set 3.1: A 29 CYS SG : rot 124:sc= 0.785 USER MOD Set 3.2: A 79 CYS SG : rot 179:sc= 1.09 USER MOD Set 4.1: A 24 MET CE :methyl -118:sc= -0.226 (180deg=0) USER MOD Set 4.2: A 65 ASN : amide:sc= -1.62 K(o=-1.9,f=-4.7!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0145 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.43) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -54:sc= 0.66 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 70:sc= -5.33! USER MOD Single : A 53 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-4.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -8.31! C(o=-8.3!,f=-9.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.923 USER MOD Single : A 77 TYR OH : rot -35:sc= 1.28 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 159:sc= -4.68! (180deg=-4.99!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00131 X(o=-0.0013,f=0) USER MOD Single : A 88 SER OG : rot 160:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0162 F(o=-0.74,f=-0.016) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.9) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 34:sc= 0.00501 USER MOD Single : A 101 SER OG : rot -53:sc= 0.597 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.951 5.913 -0.268 1.00 0.00 N ATOM 2 CA GLY A 1 16.693 5.914 -1.515 1.00 0.00 C ATOM 3 C GLY A 1 18.060 6.554 -1.376 1.00 0.00 C ATOM 4 O GLY A 1 18.223 7.534 -0.650 1.00 0.00 O ATOM 0 H1 GLY A 1 14.963 6.180 -0.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.980 4.962 0.153 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.377 6.596 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.809 4.889 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.121 6.448 -2.274 1.00 0.00 H new ATOM 8 N SER A 2 19.046 5.997 -2.072 1.00 0.00 N ATOM 9 CA SER A 2 20.407 6.517 -2.019 1.00 0.00 C ATOM 10 C SER A 2 20.684 7.438 -3.203 1.00 0.00 C ATOM 11 O SER A 2 19.896 7.508 -4.147 1.00 0.00 O ATOM 12 CB SER A 2 21.415 5.365 -2.008 1.00 0.00 C ATOM 13 OG SER A 2 21.195 4.507 -0.902 1.00 0.00 O ATOM 0 H SER A 2 18.928 5.186 -2.679 1.00 0.00 H new ATOM 0 HA SER A 2 20.514 7.094 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.334 4.797 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.428 5.764 -1.967 1.00 0.00 H new ATOM 0 HG SER A 2 21.850 3.778 -0.918 1.00 0.00 H new ATOM 19 N SER A 3 21.809 8.143 -3.146 1.00 0.00 N ATOM 20 CA SER A 3 22.189 9.064 -4.211 1.00 0.00 C ATOM 21 C SER A 3 22.377 8.321 -5.530 1.00 0.00 C ATOM 22 O SER A 3 22.676 7.127 -5.546 1.00 0.00 O ATOM 23 CB SER A 3 23.477 9.802 -3.840 1.00 0.00 C ATOM 24 OG SER A 3 23.210 10.890 -2.973 1.00 0.00 O ATOM 0 H SER A 3 22.473 8.094 -2.374 1.00 0.00 H new ATOM 0 HA SER A 3 21.385 9.790 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.170 9.111 -3.359 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.965 10.165 -4.744 1.00 0.00 H new ATOM 0 HG SER A 3 24.049 11.344 -2.750 1.00 0.00 H new ATOM 30 N GLY A 4 22.200 9.037 -6.636 1.00 0.00 N ATOM 31 CA GLY A 4 22.354 8.430 -7.945 1.00 0.00 C ATOM 32 C GLY A 4 21.168 8.697 -8.851 1.00 0.00 C ATOM 33 O GLY A 4 20.434 9.665 -8.655 1.00 0.00 O ATOM 0 H GLY A 4 21.953 10.026 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.260 8.813 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.485 7.354 -7.830 1.00 0.00 H new ATOM 37 N SER A 5 20.981 7.837 -9.848 1.00 0.00 N ATOM 38 CA SER A 5 19.880 7.989 -10.791 1.00 0.00 C ATOM 39 C SER A 5 18.920 6.806 -10.700 1.00 0.00 C ATOM 40 O SER A 5 17.702 6.975 -10.757 1.00 0.00 O ATOM 41 CB SER A 5 20.416 8.116 -12.218 1.00 0.00 C ATOM 42 OG SER A 5 20.960 9.404 -12.445 1.00 0.00 O ATOM 0 H SER A 5 21.578 7.028 -10.023 1.00 0.00 H new ATOM 0 HA SER A 5 19.336 8.898 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.181 7.359 -12.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.613 7.926 -12.930 1.00 0.00 H new ATOM 0 HG SER A 5 21.297 9.459 -13.363 1.00 0.00 H new ATOM 48 N SER A 6 19.479 5.608 -10.557 1.00 0.00 N ATOM 49 CA SER A 6 18.674 4.396 -10.462 1.00 0.00 C ATOM 50 C SER A 6 17.771 4.439 -9.233 1.00 0.00 C ATOM 51 O SER A 6 16.560 4.245 -9.331 1.00 0.00 O ATOM 52 CB SER A 6 19.577 3.163 -10.403 1.00 0.00 C ATOM 53 OG SER A 6 18.820 1.970 -10.511 1.00 0.00 O ATOM 0 H SER A 6 20.486 5.451 -10.504 1.00 0.00 H new ATOM 0 HA SER A 6 18.046 4.335 -11.351 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.310 3.206 -11.209 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.133 3.161 -9.466 1.00 0.00 H new ATOM 0 HG SER A 6 19.421 1.197 -10.472 1.00 0.00 H new ATOM 59 N GLY A 7 18.371 4.694 -8.074 1.00 0.00 N ATOM 60 CA GLY A 7 17.607 4.758 -6.842 1.00 0.00 C ATOM 61 C GLY A 7 17.392 3.392 -6.222 1.00 0.00 C ATOM 62 O GLY A 7 18.141 2.447 -6.473 1.00 0.00 O ATOM 0 H GLY A 7 19.372 4.857 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.125 5.400 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.640 5.219 -7.041 1.00 0.00 H new ATOM 66 N PRO A 8 16.347 3.273 -5.389 1.00 0.00 N ATOM 67 CA PRO A 8 16.012 2.016 -4.713 1.00 0.00 C ATOM 68 C PRO A 8 15.486 0.961 -5.680 1.00 0.00 C ATOM 69 O PRO A 8 15.449 1.177 -6.891 1.00 0.00 O ATOM 70 CB PRO A 8 14.919 2.426 -3.723 1.00 0.00 C ATOM 71 CG PRO A 8 14.303 3.644 -4.321 1.00 0.00 C ATOM 72 CD PRO A 8 15.413 4.357 -5.043 1.00 0.00 C ATOM 0 HA PRO A 8 16.884 1.561 -4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.183 1.632 -3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.336 2.636 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.499 3.378 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.867 4.280 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.048 4.872 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.886 5.108 -4.411 1.00 0.00 H new ATOM 80 N PHE A 9 15.080 -0.182 -5.137 1.00 0.00 N ATOM 81 CA PHE A 9 14.556 -1.272 -5.952 1.00 0.00 C ATOM 82 C PHE A 9 13.036 -1.187 -6.062 1.00 0.00 C ATOM 83 O PHE A 9 12.342 -2.203 -6.013 1.00 0.00 O ATOM 84 CB PHE A 9 14.961 -2.622 -5.356 1.00 0.00 C ATOM 85 CG PHE A 9 16.394 -2.986 -5.617 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.393 -2.597 -4.739 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.743 -3.719 -6.740 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.713 -2.930 -4.978 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.062 -4.056 -6.984 1.00 0.00 C ATOM 90 CZ PHE A 9 19.047 -3.662 -6.101 1.00 0.00 C ATOM 0 H PHE A 9 15.104 -0.377 -4.136 1.00 0.00 H new ATOM 0 HA PHE A 9 14.980 -1.182 -6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.790 -2.601 -4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.316 -3.399 -5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.137 -2.027 -3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.976 -4.031 -7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.483 -2.618 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.321 -4.626 -7.864 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.078 -3.926 -6.288 1.00 0.00 H new ATOM 100 N ILE A 10 12.527 0.031 -6.209 1.00 0.00 N ATOM 101 CA ILE A 10 11.090 0.249 -6.326 1.00 0.00 C ATOM 102 C ILE A 10 10.761 1.100 -7.548 1.00 0.00 C ATOM 103 O ILE A 10 10.689 2.325 -7.462 1.00 0.00 O ATOM 104 CB ILE A 10 10.520 0.933 -5.070 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.750 0.057 -3.837 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.038 1.223 -5.251 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.528 0.784 -2.529 1.00 0.00 C ATOM 0 H ILE A 10 13.088 0.882 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 10 10.630 -0.733 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 10 11.040 1.880 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.082 -0.803 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.769 -0.329 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.650 1.707 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.898 1.882 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.502 0.289 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.709 0.102 -1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.214 1.628 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.501 1.146 -2.484 1.00 0.00 H new ATOM 119 N MET A 11 10.561 0.441 -8.685 1.00 0.00 N ATOM 120 CA MET A 11 10.237 1.137 -9.924 1.00 0.00 C ATOM 121 C MET A 11 9.181 2.212 -9.684 1.00 0.00 C ATOM 122 O MET A 11 9.208 3.272 -10.308 1.00 0.00 O ATOM 123 CB MET A 11 9.740 0.144 -10.977 1.00 0.00 C ATOM 124 CG MET A 11 10.729 -0.972 -11.274 1.00 0.00 C ATOM 125 SD MET A 11 11.997 -0.479 -12.457 1.00 0.00 S ATOM 126 CE MET A 11 12.964 -1.983 -12.562 1.00 0.00 C ATOM 0 H MET A 11 10.618 -0.574 -8.773 1.00 0.00 H new ATOM 0 HA MET A 11 11.144 1.619 -10.289 1.00 0.00 H new ATOM 0 HB2 MET A 11 8.802 -0.294 -10.637 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.525 0.683 -11.900 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.206 -1.286 -10.346 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.190 -1.836 -11.664 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.790 -1.837 -13.258 1.00 0.00 H new ATOM 0 HE2 MET A 11 13.359 -2.231 -11.577 1.00 0.00 H new ATOM 0 HE3 MET A 11 12.332 -2.798 -12.915 1.00 0.00 H new ATOM 136 N ASP A 12 8.252 1.930 -8.777 1.00 0.00 N ATOM 137 CA ASP A 12 7.188 2.872 -8.453 1.00 0.00 C ATOM 138 C ASP A 12 6.923 2.899 -6.951 1.00 0.00 C ATOM 139 O ASP A 12 6.688 1.861 -6.334 1.00 0.00 O ATOM 140 CB ASP A 12 5.906 2.504 -9.203 1.00 0.00 C ATOM 141 CG ASP A 12 4.988 3.694 -9.398 1.00 0.00 C ATOM 142 OD1 ASP A 12 4.203 3.995 -8.474 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.052 4.324 -10.475 1.00 0.00 O ATOM 0 H ASP A 12 8.215 1.056 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 12 7.510 3.866 -8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.165 2.085 -10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.377 1.727 -8.652 1.00 0.00 H new ATOM 148 N ALA A 13 6.964 4.093 -6.370 1.00 0.00 N ATOM 149 CA ALA A 13 6.728 4.255 -4.940 1.00 0.00 C ATOM 150 C ALA A 13 5.390 4.940 -4.679 1.00 0.00 C ATOM 151 O ALA A 13 4.960 5.820 -5.425 1.00 0.00 O ATOM 152 CB ALA A 13 7.861 5.047 -4.305 1.00 0.00 C ATOM 0 H ALA A 13 7.158 4.962 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 13 6.694 3.264 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.672 5.160 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.802 4.518 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.922 6.031 -4.769 1.00 0.00 H new ATOM 158 N PRO A 14 4.715 4.527 -3.596 1.00 0.00 N ATOM 159 CA PRO A 14 3.416 5.088 -3.212 1.00 0.00 C ATOM 160 C PRO A 14 3.529 6.525 -2.715 1.00 0.00 C ATOM 161 O PRO A 14 4.596 6.959 -2.280 1.00 0.00 O ATOM 162 CB PRO A 14 2.953 4.166 -2.081 1.00 0.00 C ATOM 163 CG PRO A 14 4.209 3.605 -1.511 1.00 0.00 C ATOM 164 CD PRO A 14 5.168 3.482 -2.663 1.00 0.00 C ATOM 0 HA PRO A 14 2.726 5.133 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.388 4.716 -1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.301 3.377 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.611 4.258 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.028 2.635 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.199 3.644 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.126 2.492 -3.117 1.00 0.00 H new ATOM 172 N ARG A 15 2.423 7.258 -2.783 1.00 0.00 N ATOM 173 CA ARG A 15 2.399 8.647 -2.340 1.00 0.00 C ATOM 174 C ARG A 15 1.075 8.977 -1.657 1.00 0.00 C ATOM 175 O ARG A 15 0.052 8.346 -1.926 1.00 0.00 O ATOM 176 CB ARG A 15 2.621 9.587 -3.527 1.00 0.00 C ATOM 177 CG ARG A 15 2.839 11.036 -3.124 1.00 0.00 C ATOM 178 CD ARG A 15 3.679 11.779 -4.150 1.00 0.00 C ATOM 179 NE ARG A 15 3.499 13.226 -4.062 1.00 0.00 N ATOM 180 CZ ARG A 15 4.161 14.097 -4.815 1.00 0.00 C ATOM 181 NH1 ARG A 15 5.043 13.669 -5.709 1.00 0.00 N ATOM 182 NH2 ARG A 15 3.941 15.398 -4.676 1.00 0.00 N ATOM 0 H ARG A 15 1.532 6.914 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 15 3.205 8.786 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.485 9.243 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.759 9.529 -4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.875 11.533 -3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.331 11.074 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.731 11.535 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.411 11.441 -5.151 1.00 0.00 H new ATOM 0 HE ARG A 15 2.828 13.588 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.214 12.669 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.550 14.340 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.263 15.730 -3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.450 16.066 -5.255 1.00 0.00 H new ATOM 196 N ASP A 16 1.102 9.969 -0.774 1.00 0.00 N ATOM 197 CA ASP A 16 -0.095 10.383 -0.052 1.00 0.00 C ATOM 198 C ASP A 16 -1.312 10.380 -0.972 1.00 0.00 C ATOM 199 O ASP A 16 -1.298 10.991 -2.041 1.00 0.00 O ATOM 200 CB ASP A 16 0.101 11.776 0.548 1.00 0.00 C ATOM 201 CG ASP A 16 1.518 12.000 1.039 1.00 0.00 C ATOM 202 OD1 ASP A 16 2.125 11.040 1.558 1.00 0.00 O ATOM 203 OD2 ASP A 16 2.020 13.136 0.905 1.00 0.00 O ATOM 0 H ASP A 16 1.940 10.502 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.268 9.670 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.144 12.529 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.594 11.913 1.377 1.00 0.00 H new ATOM 208 N LEU A 17 -2.364 9.686 -0.550 1.00 0.00 N ATOM 209 CA LEU A 17 -3.590 9.602 -1.336 1.00 0.00 C ATOM 210 C LEU A 17 -4.792 10.069 -0.522 1.00 0.00 C ATOM 211 O LEU A 17 -4.856 9.855 0.688 1.00 0.00 O ATOM 212 CB LEU A 17 -3.813 8.167 -1.818 1.00 0.00 C ATOM 213 CG LEU A 17 -5.178 7.872 -2.440 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.259 8.446 -3.846 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.443 6.374 -2.458 1.00 0.00 C ATOM 0 H LEU A 17 -2.392 9.174 0.332 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.483 10.257 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.043 7.928 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.668 7.494 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.945 8.349 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.238 8.226 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.114 9.526 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.483 7.998 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.419 6.182 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.672 5.875 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.429 5.990 -1.438 1.00 0.00 H new ATOM 227 N ASN A 18 -5.745 10.707 -1.195 1.00 0.00 N ATOM 228 CA ASN A 18 -6.946 11.203 -0.535 1.00 0.00 C ATOM 229 C ASN A 18 -8.197 10.556 -1.122 1.00 0.00 C ATOM 230 O ASN A 18 -8.508 10.741 -2.299 1.00 0.00 O ATOM 231 CB ASN A 18 -7.035 12.725 -0.667 1.00 0.00 C ATOM 232 CG ASN A 18 -7.067 13.178 -2.114 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.031 13.266 -2.772 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.262 13.469 -2.616 1.00 0.00 N ATOM 0 H ASN A 18 -5.708 10.892 -2.197 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.884 10.940 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.931 13.079 -0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.182 13.181 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.347 13.780 -3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.095 13.382 -2.034 1.00 0.00 H new ATOM 241 N ILE A 19 -8.909 9.799 -0.295 1.00 0.00 N ATOM 242 CA ILE A 19 -10.126 9.127 -0.732 1.00 0.00 C ATOM 243 C ILE A 19 -11.213 9.208 0.334 1.00 0.00 C ATOM 244 O ILE A 19 -10.933 9.486 1.500 1.00 0.00 O ATOM 245 CB ILE A 19 -9.862 7.647 -1.069 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.117 7.006 -1.665 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.414 6.893 0.174 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.857 5.669 -2.324 1.00 0.00 C ATOM 0 H ILE A 19 -8.664 9.636 0.682 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.464 9.641 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.064 7.594 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.858 6.875 -0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.549 7.686 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.231 5.849 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.497 7.339 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.192 6.951 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.790 5.273 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.140 5.796 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.454 4.973 -1.588 1.00 0.00 H new ATOM 260 N SER A 20 -12.454 8.961 -0.073 1.00 0.00 N ATOM 261 CA SER A 20 -13.584 9.008 0.848 1.00 0.00 C ATOM 262 C SER A 20 -13.829 7.639 1.477 1.00 0.00 C ATOM 263 O SER A 20 -13.383 6.617 0.958 1.00 0.00 O ATOM 264 CB SER A 20 -14.843 9.479 0.119 1.00 0.00 C ATOM 265 OG SER A 20 -14.752 10.852 -0.220 1.00 0.00 O ATOM 0 H SER A 20 -12.703 8.726 -1.034 1.00 0.00 H new ATOM 0 HA SER A 20 -13.346 9.716 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.987 8.887 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.716 9.314 0.751 1.00 0.00 H new ATOM 0 HG SER A 20 -15.568 11.129 -0.687 1.00 0.00 H new ATOM 271 N GLU A 21 -14.541 7.630 2.599 1.00 0.00 N ATOM 272 CA GLU A 21 -14.845 6.388 3.300 1.00 0.00 C ATOM 273 C GLU A 21 -15.880 5.570 2.534 1.00 0.00 C ATOM 274 O GLU A 21 -16.946 6.072 2.179 1.00 0.00 O ATOM 275 CB GLU A 21 -15.357 6.685 4.711 1.00 0.00 C ATOM 276 CG GLU A 21 -15.852 5.453 5.451 1.00 0.00 C ATOM 277 CD GLU A 21 -16.855 5.789 6.538 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.824 6.520 6.245 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.670 5.322 7.681 1.00 0.00 O ATOM 0 H GLU A 21 -14.918 8.468 3.042 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.926 5.806 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.557 7.148 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.167 7.411 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.310 4.766 4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.002 4.934 5.894 1.00 0.00 H new ATOM 286 N GLY A 22 -15.557 4.305 2.281 1.00 0.00 N ATOM 287 CA GLY A 22 -16.468 3.437 1.558 1.00 0.00 C ATOM 288 C GLY A 22 -16.232 3.468 0.061 1.00 0.00 C ATOM 289 O GLY A 22 -17.167 3.314 -0.725 1.00 0.00 O ATOM 0 H GLY A 22 -14.681 3.866 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.355 2.415 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.495 3.738 1.767 1.00 0.00 H new ATOM 293 N ARG A 23 -14.980 3.669 -0.335 1.00 0.00 N ATOM 294 CA ARG A 23 -14.625 3.723 -1.748 1.00 0.00 C ATOM 295 C ARG A 23 -13.411 2.844 -2.038 1.00 0.00 C ATOM 296 O ARG A 23 -12.707 2.421 -1.122 1.00 0.00 O ATOM 297 CB ARG A 23 -14.335 5.165 -2.169 1.00 0.00 C ATOM 298 CG ARG A 23 -15.532 6.091 -2.034 1.00 0.00 C ATOM 299 CD ARG A 23 -15.468 7.235 -3.034 1.00 0.00 C ATOM 300 NE ARG A 23 -16.716 7.992 -3.081 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.854 7.505 -3.563 1.00 0.00 C ATOM 302 NH1 ARG A 23 -17.901 6.268 -4.037 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.948 8.256 -3.571 1.00 0.00 N ATOM 0 H ARG A 23 -14.194 3.797 0.303 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.471 3.347 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.516 5.553 -1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.997 5.171 -3.205 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.451 5.524 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.570 6.493 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.649 7.903 -2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.247 6.838 -4.025 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.714 8.947 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.062 5.688 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.776 5.896 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.916 9.208 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.821 7.881 -3.941 1.00 0.00 H new ATOM 317 N MET A 24 -13.175 2.574 -3.317 1.00 0.00 N ATOM 318 CA MET A 24 -12.046 1.746 -3.727 1.00 0.00 C ATOM 319 C MET A 24 -10.784 2.588 -3.887 1.00 0.00 C ATOM 320 O MET A 24 -10.751 3.530 -4.679 1.00 0.00 O ATOM 321 CB MET A 24 -12.364 1.027 -5.040 1.00 0.00 C ATOM 322 CG MET A 24 -11.626 -0.292 -5.204 1.00 0.00 C ATOM 323 SD MET A 24 -12.199 -1.235 -6.630 1.00 0.00 S ATOM 324 CE MET A 24 -11.415 -2.816 -6.328 1.00 0.00 C ATOM 0 H MET A 24 -13.750 2.916 -4.087 1.00 0.00 H new ATOM 0 HA MET A 24 -11.870 1.004 -2.948 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.437 0.843 -5.093 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.111 1.682 -5.874 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.559 -0.096 -5.308 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.754 -0.890 -4.302 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.726 -3.042 -7.142 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.866 -2.776 -5.387 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.176 -3.594 -6.271 1.00 0.00 H new ATOM 334 N ALA A 25 -9.748 2.242 -3.130 1.00 0.00 N ATOM 335 CA ALA A 25 -8.483 2.965 -3.190 1.00 0.00 C ATOM 336 C ALA A 25 -7.335 2.032 -3.558 1.00 0.00 C ATOM 337 O ALA A 25 -7.465 0.811 -3.477 1.00 0.00 O ATOM 338 CB ALA A 25 -8.204 3.650 -1.861 1.00 0.00 C ATOM 0 H ALA A 25 -9.760 1.466 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.563 3.724 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.257 4.186 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.006 4.354 -1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.149 2.902 -1.070 1.00 0.00 H new ATOM 344 N GLU A 26 -6.211 2.616 -3.964 1.00 0.00 N ATOM 345 CA GLU A 26 -5.040 1.835 -4.346 1.00 0.00 C ATOM 346 C GLU A 26 -3.760 2.640 -4.145 1.00 0.00 C ATOM 347 O GLU A 26 -3.745 3.859 -4.322 1.00 0.00 O ATOM 348 CB GLU A 26 -5.151 1.389 -5.806 1.00 0.00 C ATOM 349 CG GLU A 26 -6.387 0.554 -6.095 1.00 0.00 C ATOM 350 CD GLU A 26 -6.414 0.024 -7.515 1.00 0.00 C ATOM 351 OE1 GLU A 26 -5.332 -0.307 -8.044 1.00 0.00 O ATOM 352 OE2 GLU A 26 -7.515 -0.061 -8.097 1.00 0.00 O ATOM 0 H GLU A 26 -6.087 3.626 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.999 0.953 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.161 2.271 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.264 0.813 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.426 -0.283 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.278 1.157 -5.919 1.00 0.00 H new ATOM 359 N LEU A 27 -2.687 1.951 -3.772 1.00 0.00 N ATOM 360 CA LEU A 27 -1.401 2.601 -3.546 1.00 0.00 C ATOM 361 C LEU A 27 -0.418 2.267 -4.663 1.00 0.00 C ATOM 362 O LEU A 27 -0.012 1.116 -4.826 1.00 0.00 O ATOM 363 CB LEU A 27 -0.821 2.172 -2.197 1.00 0.00 C ATOM 364 CG LEU A 27 -1.278 2.981 -0.982 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.244 2.124 0.274 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.409 4.219 -0.809 1.00 0.00 C ATOM 0 H LEU A 27 -2.682 0.942 -3.620 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.563 3.679 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.078 1.126 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.266 2.227 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.306 3.303 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.572 2.717 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.908 1.269 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.227 1.772 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.748 4.783 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.629 3.918 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.484 4.844 -1.699 1.00 0.00 H new ATOM 378 N LYS A 28 -0.036 3.282 -5.431 1.00 0.00 N ATOM 379 CA LYS A 28 0.902 3.099 -6.532 1.00 0.00 C ATOM 380 C LYS A 28 2.240 2.571 -6.024 1.00 0.00 C ATOM 381 O LYS A 28 3.004 3.298 -5.387 1.00 0.00 O ATOM 382 CB LYS A 28 1.112 4.420 -7.275 1.00 0.00 C ATOM 383 CG LYS A 28 -0.135 4.928 -7.979 1.00 0.00 C ATOM 384 CD LYS A 28 -0.376 4.191 -9.286 1.00 0.00 C ATOM 385 CE LYS A 28 -1.747 4.512 -9.861 1.00 0.00 C ATOM 386 NZ LYS A 28 -2.812 3.660 -9.263 1.00 0.00 N ATOM 0 H LYS A 28 -0.362 4.241 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 28 0.479 2.366 -7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.452 5.175 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.907 4.291 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.999 4.804 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.034 5.995 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.395 4.464 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.292 3.117 -9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.979 5.562 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.731 4.368 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.731 3.909 -9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.604 2.659 -9.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.845 3.816 -8.235 1.00 0.00 H new ATOM 400 N CYS A 29 2.518 1.304 -6.311 1.00 0.00 N ATOM 401 CA CYS A 29 3.764 0.679 -5.883 1.00 0.00 C ATOM 402 C CYS A 29 4.153 -0.457 -6.824 1.00 0.00 C ATOM 403 O CYS A 29 3.366 -1.372 -7.067 1.00 0.00 O ATOM 404 CB CYS A 29 3.631 0.151 -4.454 1.00 0.00 C ATOM 405 SG CYS A 29 5.189 -0.404 -3.724 1.00 0.00 S ATOM 0 H CYS A 29 1.897 0.690 -6.838 1.00 0.00 H new ATOM 0 HA CYS A 29 4.549 1.435 -5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.207 0.935 -3.826 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.924 -0.679 -4.449 1.00 0.00 H new ATOM 0 HG CYS A 29 5.399 0.234 -2.611 1.00 0.00 H new ATOM 411 N ARG A 30 5.371 -0.391 -7.351 1.00 0.00 N ATOM 412 CA ARG A 30 5.864 -1.412 -8.268 1.00 0.00 C ATOM 413 C ARG A 30 7.118 -2.080 -7.714 1.00 0.00 C ATOM 414 O ARG A 30 8.034 -1.409 -7.237 1.00 0.00 O ATOM 415 CB ARG A 30 6.162 -0.798 -9.637 1.00 0.00 C ATOM 416 CG ARG A 30 4.916 -0.417 -10.418 1.00 0.00 C ATOM 417 CD ARG A 30 4.423 -1.570 -11.278 1.00 0.00 C ATOM 418 NE ARG A 30 3.372 -1.153 -12.203 1.00 0.00 N ATOM 419 CZ ARG A 30 3.612 -0.582 -13.378 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.860 -0.360 -13.769 1.00 0.00 N ATOM 421 NH2 ARG A 30 2.603 -0.230 -14.165 1.00 0.00 N ATOM 0 H ARG A 30 6.035 0.359 -7.159 1.00 0.00 H new ATOM 0 HA ARG A 30 5.088 -2.170 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.781 0.089 -9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.746 -1.507 -10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.130 -0.116 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.131 0.444 -11.051 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.259 -1.985 -11.842 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.046 -2.366 -10.636 1.00 0.00 H new ATOM 0 HE ARG A 30 2.401 -1.309 -11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.638 -0.628 -13.167 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.041 0.079 -14.672 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.642 -0.398 -13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.789 0.208 -15.067 1.00 0.00 H new ATOM 435 N THR A 31 7.154 -3.408 -7.779 1.00 0.00 N ATOM 436 CA THR A 31 8.294 -4.168 -7.283 1.00 0.00 C ATOM 437 C THR A 31 8.821 -5.126 -8.345 1.00 0.00 C ATOM 438 O THR A 31 8.065 -5.687 -9.138 1.00 0.00 O ATOM 439 CB THR A 31 7.928 -4.970 -6.020 1.00 0.00 C ATOM 440 OG1 THR A 31 6.853 -5.872 -6.307 1.00 0.00 O ATOM 441 CG2 THR A 31 7.526 -4.040 -4.885 1.00 0.00 C ATOM 0 H THR A 31 6.405 -3.979 -8.171 1.00 0.00 H new ATOM 0 HA THR A 31 9.071 -3.445 -7.033 1.00 0.00 H new ATOM 0 HB THR A 31 8.806 -5.537 -5.710 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.104 -5.375 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.272 -4.630 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.356 -3.374 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.662 -3.449 -5.188 1.00 0.00 H new ATOM 449 N PRO A 32 10.148 -5.319 -8.363 1.00 0.00 N ATOM 450 CA PRO A 32 10.805 -6.211 -9.323 1.00 0.00 C ATOM 451 C PRO A 32 10.496 -7.680 -9.055 1.00 0.00 C ATOM 452 O PRO A 32 9.929 -8.042 -8.024 1.00 0.00 O ATOM 453 CB PRO A 32 12.294 -5.929 -9.106 1.00 0.00 C ATOM 454 CG PRO A 32 12.386 -5.433 -7.705 1.00 0.00 C ATOM 455 CD PRO A 32 11.109 -4.682 -7.447 1.00 0.00 C ATOM 0 HA PRO A 32 10.467 -6.032 -10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.892 -6.829 -9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.663 -5.187 -9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.500 -6.260 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.253 -4.785 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.793 -4.771 -6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.219 -3.618 -7.656 1.00 0.00 H new ATOM 463 N PRO A 33 10.878 -8.548 -10.003 1.00 0.00 N ATOM 464 CA PRO A 33 10.652 -9.992 -9.891 1.00 0.00 C ATOM 465 C PRO A 33 11.523 -10.633 -8.817 1.00 0.00 C ATOM 466 O PRO A 33 12.586 -10.115 -8.476 1.00 0.00 O ATOM 467 CB PRO A 33 11.036 -10.519 -11.276 1.00 0.00 C ATOM 468 CG PRO A 33 11.997 -9.515 -11.811 1.00 0.00 C ATOM 469 CD PRO A 33 11.558 -8.187 -11.258 1.00 0.00 C ATOM 0 HA PRO A 33 9.627 -10.223 -9.601 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.491 -11.507 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.162 -10.613 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.016 -9.748 -11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.987 -9.507 -12.901 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.406 -7.526 -11.080 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.888 -7.668 -11.943 1.00 0.00 H new ATOM 477 N MET A 34 11.066 -11.763 -8.287 1.00 0.00 N ATOM 478 CA MET A 34 11.806 -12.475 -7.252 1.00 0.00 C ATOM 479 C MET A 34 12.111 -11.557 -6.072 1.00 0.00 C ATOM 480 O MET A 34 13.264 -11.415 -5.666 1.00 0.00 O ATOM 481 CB MET A 34 13.108 -13.041 -7.823 1.00 0.00 C ATOM 482 CG MET A 34 12.918 -13.816 -9.116 1.00 0.00 C ATOM 483 SD MET A 34 14.290 -14.933 -9.465 1.00 0.00 S ATOM 484 CE MET A 34 13.566 -16.509 -9.019 1.00 0.00 C ATOM 0 H MET A 34 10.187 -12.205 -8.557 1.00 0.00 H new ATOM 0 HA MET A 34 11.185 -13.298 -6.898 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.804 -12.221 -7.999 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.567 -13.695 -7.081 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.993 -14.390 -9.058 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.807 -13.114 -9.943 1.00 0.00 H new ATOM 0 HE1 MET A 34 14.295 -17.303 -9.180 1.00 0.00 H new ATOM 0 HE2 MET A 34 13.275 -16.491 -7.969 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.687 -16.693 -9.636 1.00 0.00 H new ATOM 494 N SER A 35 11.070 -10.936 -5.527 1.00 0.00 N ATOM 495 CA SER A 35 11.228 -10.029 -4.396 1.00 0.00 C ATOM 496 C SER A 35 10.052 -10.153 -3.432 1.00 0.00 C ATOM 497 O SER A 35 8.936 -10.478 -3.836 1.00 0.00 O ATOM 498 CB SER A 35 11.349 -8.585 -4.887 1.00 0.00 C ATOM 499 OG SER A 35 12.701 -8.248 -5.149 1.00 0.00 O ATOM 0 H SER A 35 10.109 -11.044 -5.850 1.00 0.00 H new ATOM 0 HA SER A 35 12.140 -10.303 -3.866 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.756 -8.454 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.940 -7.907 -4.138 1.00 0.00 H new ATOM 0 HG SER A 35 12.804 -7.274 -5.134 1.00 0.00 H new ATOM 505 N SER A 36 10.312 -9.891 -2.155 1.00 0.00 N ATOM 506 CA SER A 36 9.277 -9.976 -1.131 1.00 0.00 C ATOM 507 C SER A 36 8.629 -8.615 -0.899 1.00 0.00 C ATOM 508 O SER A 36 9.255 -7.698 -0.366 1.00 0.00 O ATOM 509 CB SER A 36 9.868 -10.502 0.178 1.00 0.00 C ATOM 510 OG SER A 36 10.049 -11.906 0.129 1.00 0.00 O ATOM 0 H SER A 36 11.230 -9.618 -1.805 1.00 0.00 H new ATOM 0 HA SER A 36 8.511 -10.668 -1.480 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.824 -10.016 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.208 -10.246 1.007 1.00 0.00 H new ATOM 0 HG SER A 36 10.429 -12.217 0.977 1.00 0.00 H new ATOM 516 N VAL A 37 7.369 -8.490 -1.304 1.00 0.00 N ATOM 517 CA VAL A 37 6.633 -7.242 -1.140 1.00 0.00 C ATOM 518 C VAL A 37 5.565 -7.371 -0.060 1.00 0.00 C ATOM 519 O VAL A 37 4.815 -8.347 -0.026 1.00 0.00 O ATOM 520 CB VAL A 37 5.965 -6.807 -2.458 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.985 -7.867 -2.936 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.269 -5.465 -2.285 1.00 0.00 C ATOM 0 H VAL A 37 6.837 -9.238 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 37 7.358 -6.485 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 37 6.739 -6.694 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.523 -7.542 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.515 -8.805 -3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.213 -8.016 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.803 -5.173 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.505 -5.548 -1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.000 -4.711 -1.993 1.00 0.00 H new ATOM 532 N LYS A 38 5.500 -6.379 0.822 1.00 0.00 N ATOM 533 CA LYS A 38 4.523 -6.379 1.903 1.00 0.00 C ATOM 534 C LYS A 38 4.044 -4.963 2.205 1.00 0.00 C ATOM 535 O LYS A 38 4.444 -4.008 1.538 1.00 0.00 O ATOM 536 CB LYS A 38 5.126 -7.004 3.164 1.00 0.00 C ATOM 537 CG LYS A 38 5.467 -8.476 3.009 1.00 0.00 C ATOM 538 CD LYS A 38 5.459 -9.194 4.349 1.00 0.00 C ATOM 539 CE LYS A 38 6.709 -8.879 5.157 1.00 0.00 C ATOM 540 NZ LYS A 38 7.811 -9.838 4.869 1.00 0.00 N ATOM 0 H LYS A 38 6.113 -5.564 0.809 1.00 0.00 H new ATOM 0 HA LYS A 38 3.667 -6.973 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.029 -6.457 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.423 -6.887 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.749 -8.948 2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.449 -8.576 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.575 -8.901 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.391 -10.270 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.041 -7.866 4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.471 -8.908 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.645 -9.590 5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.503 -10.802 5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.056 -9.793 3.859 1.00 0.00 H new ATOM 554 N TRP A 39 3.190 -4.834 3.213 1.00 0.00 N ATOM 555 CA TRP A 39 2.658 -3.533 3.603 1.00 0.00 C ATOM 556 C TRP A 39 2.385 -3.483 5.102 1.00 0.00 C ATOM 557 O TRP A 39 1.689 -4.342 5.645 1.00 0.00 O ATOM 558 CB TRP A 39 1.375 -3.229 2.828 1.00 0.00 C ATOM 559 CG TRP A 39 1.621 -2.826 1.405 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.857 -3.657 0.347 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.658 -1.492 0.887 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.038 -2.919 -0.798 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.920 -1.589 -0.494 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.492 -0.226 1.454 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.021 -0.467 -1.312 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.594 0.887 0.640 1.00 0.00 C ATOM 567 CH2 TRP A 39 1.855 0.760 -0.731 1.00 0.00 C ATOM 0 H TRP A 39 2.851 -5.614 3.776 1.00 0.00 H new ATOM 0 HA TRP A 39 3.406 -2.777 3.364 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.733 -4.110 2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.833 -2.431 3.335 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.896 -4.735 0.402 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.229 -3.300 -1.725 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.288 -0.119 2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.223 -0.562 -2.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.470 1.871 1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.926 1.648 -1.341 1.00 0.00 H new ATOM 578 N LEU A 40 2.937 -2.474 5.766 1.00 0.00 N ATOM 579 CA LEU A 40 2.752 -2.313 7.204 1.00 0.00 C ATOM 580 C LEU A 40 1.635 -1.317 7.502 1.00 0.00 C ATOM 581 O LEU A 40 1.581 -0.235 6.916 1.00 0.00 O ATOM 582 CB LEU A 40 4.054 -1.845 7.857 1.00 0.00 C ATOM 583 CG LEU A 40 4.160 -2.051 9.368 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.617 -2.111 9.798 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.428 -0.942 10.110 1.00 0.00 C ATOM 0 H LEU A 40 3.516 -1.755 5.332 1.00 0.00 H new ATOM 0 HA LEU A 40 2.471 -3.281 7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.884 -2.367 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.182 -0.783 7.646 1.00 0.00 H new ATOM 0 HG LEU A 40 3.689 -3.001 9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.672 -2.258 10.877 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.112 -2.941 9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.113 -1.177 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.514 -1.105 11.184 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.869 0.021 9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.376 -0.947 9.825 1.00 0.00 H new ATOM 597 N LEU A 41 0.746 -1.689 8.416 1.00 0.00 N ATOM 598 CA LEU A 41 -0.369 -0.828 8.794 1.00 0.00 C ATOM 599 C LEU A 41 -0.018 0.013 10.016 1.00 0.00 C ATOM 600 O LEU A 41 0.771 -0.389 10.871 1.00 0.00 O ATOM 601 CB LEU A 41 -1.614 -1.670 9.079 1.00 0.00 C ATOM 602 CG LEU A 41 -2.035 -2.642 7.977 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.206 -1.910 6.655 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.017 -3.765 7.839 1.00 0.00 C ATOM 0 H LEU A 41 0.776 -2.581 8.909 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.576 -0.155 7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.441 -2.240 9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.447 -0.995 9.278 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.994 -3.080 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.506 -2.619 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.973 -1.142 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.262 -1.444 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.333 -4.447 7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.043 -3.345 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.945 -4.308 8.781 1.00 0.00 H new ATOM 616 N PRO A 42 -0.619 1.209 10.105 1.00 0.00 N ATOM 617 CA PRO A 42 -0.388 2.131 11.221 1.00 0.00 C ATOM 618 C PRO A 42 -0.989 1.623 12.527 1.00 0.00 C ATOM 619 O PRO A 42 -0.932 2.300 13.552 1.00 0.00 O ATOM 620 CB PRO A 42 -1.091 3.414 10.772 1.00 0.00 C ATOM 621 CG PRO A 42 -2.140 2.958 9.819 1.00 0.00 C ATOM 622 CD PRO A 42 -1.572 1.753 9.122 1.00 0.00 C ATOM 0 HA PRO A 42 0.674 2.261 11.429 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.529 3.943 11.619 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.393 4.101 10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.061 2.707 10.344 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.385 3.743 9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.348 1.030 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.077 2.024 8.190 1.00 0.00 H new ATOM 630 N ASN A 43 -1.565 0.426 12.481 1.00 0.00 N ATOM 631 CA ASN A 43 -2.177 -0.173 13.662 1.00 0.00 C ATOM 632 C ASN A 43 -1.241 -1.194 14.302 1.00 0.00 C ATOM 633 O ASN A 43 -1.579 -1.817 15.307 1.00 0.00 O ATOM 634 CB ASN A 43 -3.502 -0.842 13.291 1.00 0.00 C ATOM 635 CG ASN A 43 -3.378 -1.733 12.071 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.624 -2.818 12.204 1.00 0.00 O flip ATOM 637 ND2 ASN A 43 -3.955 -1.450 11.020 1.00 0.00 N flip ATOM 0 H ASN A 43 -1.621 -0.148 11.640 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.368 0.621 14.384 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.856 -1.434 14.135 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.253 -0.075 13.102 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.525 -0.606 10.962 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.863 -2.060 10.208 1.00 0.00 H new ATOM 644 N GLY A 44 -0.061 -1.358 13.712 1.00 0.00 N ATOM 645 CA GLY A 44 0.907 -2.303 14.238 1.00 0.00 C ATOM 646 C GLY A 44 0.753 -3.686 13.636 1.00 0.00 C ATOM 647 O GLY A 44 0.489 -4.656 14.348 1.00 0.00 O ATOM 0 H GLY A 44 0.242 -0.853 12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.914 -1.935 14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.797 -2.367 15.321 1.00 0.00 H new ATOM 651 N THR A 45 0.916 -3.778 12.320 1.00 0.00 N ATOM 652 CA THR A 45 0.790 -5.051 11.622 1.00 0.00 C ATOM 653 C THR A 45 1.328 -4.953 10.199 1.00 0.00 C ATOM 654 O THR A 45 1.687 -3.871 9.733 1.00 0.00 O ATOM 655 CB THR A 45 -0.675 -5.524 11.574 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.332 -5.208 12.806 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.752 -7.022 11.320 1.00 0.00 C ATOM 0 H THR A 45 1.136 -2.986 11.716 1.00 0.00 H new ATOM 0 HA THR A 45 1.379 -5.777 12.181 1.00 0.00 H new ATOM 0 HB THR A 45 -1.174 -5.007 10.754 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.827 -4.368 12.707 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.796 -7.333 11.290 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.277 -7.254 10.367 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.238 -7.554 12.121 1.00 0.00 H new ATOM 665 N VAL A 46 1.380 -6.089 9.511 1.00 0.00 N ATOM 666 CA VAL A 46 1.872 -6.131 8.139 1.00 0.00 C ATOM 667 C VAL A 46 1.191 -7.239 7.344 1.00 0.00 C ATOM 668 O VAL A 46 0.971 -8.339 7.854 1.00 0.00 O ATOM 669 CB VAL A 46 3.397 -6.346 8.096 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.875 -6.491 6.660 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.116 -5.201 8.793 1.00 0.00 C ATOM 0 H VAL A 46 1.087 -6.993 9.882 1.00 0.00 H new ATOM 0 HA VAL A 46 1.635 -5.167 7.689 1.00 0.00 H new ATOM 0 HB VAL A 46 3.632 -7.269 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.954 -6.642 6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.384 -7.347 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.630 -5.587 6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.192 -5.369 8.753 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.877 -4.263 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.795 -5.149 9.833 1.00 0.00 H new ATOM 681 N LEU A 47 0.859 -6.944 6.092 1.00 0.00 N ATOM 682 CA LEU A 47 0.203 -7.916 5.225 1.00 0.00 C ATOM 683 C LEU A 47 1.057 -8.214 3.997 1.00 0.00 C ATOM 684 O LEU A 47 1.954 -7.445 3.651 1.00 0.00 O ATOM 685 CB LEU A 47 -1.170 -7.397 4.792 1.00 0.00 C ATOM 686 CG LEU A 47 -2.245 -7.356 5.878 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.545 -6.798 5.321 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.465 -8.744 6.463 1.00 0.00 C ATOM 0 H LEU A 47 1.033 -6.039 5.655 1.00 0.00 H new ATOM 0 HA LEU A 47 0.075 -8.840 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.046 -6.390 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.531 -8.021 3.975 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.903 -6.697 6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.299 -6.776 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.378 -5.787 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.892 -7.431 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.233 -8.696 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.785 -9.425 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.534 -9.106 6.900 1.00 0.00 H new ATOM 700 N SER A 48 0.771 -9.334 3.341 1.00 0.00 N ATOM 701 CA SER A 48 1.514 -9.735 2.152 1.00 0.00 C ATOM 702 C SER A 48 0.667 -10.638 1.261 1.00 0.00 C ATOM 703 O SER A 48 -0.394 -11.113 1.668 1.00 0.00 O ATOM 704 CB SER A 48 2.803 -10.457 2.550 1.00 0.00 C ATOM 705 OG SER A 48 2.556 -11.823 2.834 1.00 0.00 O ATOM 0 H SER A 48 0.030 -9.980 3.613 1.00 0.00 H new ATOM 0 HA SER A 48 1.768 -8.835 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.532 -10.376 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.239 -9.974 3.424 1.00 0.00 H new ATOM 0 HG SER A 48 3.396 -12.262 3.084 1.00 0.00 H new ATOM 711 N HIS A 49 1.143 -10.870 0.042 1.00 0.00 N ATOM 712 CA HIS A 49 0.430 -11.716 -0.909 1.00 0.00 C ATOM 713 C HIS A 49 -0.277 -12.862 -0.192 1.00 0.00 C ATOM 714 O HIS A 49 -1.469 -13.093 -0.395 1.00 0.00 O ATOM 715 CB HIS A 49 1.398 -12.272 -1.954 1.00 0.00 C ATOM 716 CG HIS A 49 0.736 -12.645 -3.245 1.00 0.00 C ATOM 717 ND1 HIS A 49 0.972 -11.982 -4.431 1.00 0.00 N ATOM 718 CD2 HIS A 49 -0.158 -13.620 -3.532 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.250 -12.532 -5.391 1.00 0.00 C ATOM 720 NE2 HIS A 49 -0.444 -13.528 -4.872 1.00 0.00 N ATOM 0 H HIS A 49 2.019 -10.484 -0.311 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.321 -11.105 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.171 -11.530 -2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.897 -13.150 -1.544 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.570 -14.337 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.231 -12.220 -6.425 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.088 -14.131 -5.383 1.00 0.00 H new ATOM 729 N ALA A 50 0.466 -13.577 0.647 1.00 0.00 N ATOM 730 CA ALA A 50 -0.090 -14.698 1.394 1.00 0.00 C ATOM 731 C ALA A 50 -1.384 -14.302 2.097 1.00 0.00 C ATOM 732 O ALA A 50 -2.422 -14.937 1.912 1.00 0.00 O ATOM 733 CB ALA A 50 0.924 -15.214 2.404 1.00 0.00 C ATOM 0 H ALA A 50 1.454 -13.399 0.826 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.320 -15.495 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.495 -16.051 2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.822 -15.545 1.882 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.183 -14.416 3.100 1.00 0.00 H new ATOM 739 N SER A 51 -1.315 -13.248 2.904 1.00 0.00 N ATOM 740 CA SER A 51 -2.481 -12.769 3.638 1.00 0.00 C ATOM 741 C SER A 51 -3.752 -12.942 2.811 1.00 0.00 C ATOM 742 O SER A 51 -3.738 -12.783 1.591 1.00 0.00 O ATOM 743 CB SER A 51 -2.302 -11.298 4.018 1.00 0.00 C ATOM 744 OG SER A 51 -3.281 -10.892 4.958 1.00 0.00 O ATOM 0 H SER A 51 -0.464 -12.709 3.066 1.00 0.00 H new ATOM 0 HA SER A 51 -2.576 -13.362 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.307 -11.145 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.371 -10.677 3.125 1.00 0.00 H new ATOM 0 HG SER A 51 -3.104 -11.322 5.821 1.00 0.00 H new ATOM 750 N ARG A 52 -4.849 -13.268 3.486 1.00 0.00 N ATOM 751 CA ARG A 52 -6.129 -13.463 2.816 1.00 0.00 C ATOM 752 C ARG A 52 -7.087 -12.318 3.128 1.00 0.00 C ATOM 753 O ARG A 52 -8.302 -12.451 2.975 1.00 0.00 O ATOM 754 CB ARG A 52 -6.753 -14.794 3.240 1.00 0.00 C ATOM 755 CG ARG A 52 -7.015 -14.896 4.733 1.00 0.00 C ATOM 756 CD ARG A 52 -7.854 -16.118 5.070 1.00 0.00 C ATOM 757 NE ARG A 52 -7.031 -17.305 5.283 1.00 0.00 N ATOM 758 CZ ARG A 52 -6.576 -18.071 4.298 1.00 0.00 C ATOM 759 NH1 ARG A 52 -6.862 -17.775 3.038 1.00 0.00 N ATOM 760 NH2 ARG A 52 -5.833 -19.135 4.572 1.00 0.00 N ATOM 0 H ARG A 52 -4.877 -13.403 4.497 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.949 -13.480 1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.692 -14.932 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.092 -15.607 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.066 -14.946 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.526 -13.997 5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.441 -15.919 5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.560 -16.307 4.262 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.792 -17.560 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.433 -16.957 2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.511 -18.365 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.610 -19.366 5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.484 -19.722 3.814 1.00 0.00 H new ATOM 774 N HIS A 53 -6.533 -11.192 3.567 1.00 0.00 N ATOM 775 CA HIS A 53 -7.338 -10.023 3.901 1.00 0.00 C ATOM 776 C HIS A 53 -8.256 -9.647 2.743 1.00 0.00 C ATOM 777 O HIS A 53 -7.831 -9.535 1.593 1.00 0.00 O ATOM 778 CB HIS A 53 -6.436 -8.841 4.257 1.00 0.00 C ATOM 779 CG HIS A 53 -7.066 -7.872 5.210 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.099 -7.031 4.854 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.804 -7.614 6.513 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.444 -6.296 5.897 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.674 -6.632 6.916 1.00 0.00 N ATOM 0 H HIS A 53 -5.530 -11.065 3.700 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.955 -10.272 4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.512 -9.219 4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.164 -8.314 3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.051 -8.092 7.122 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.223 -5.548 5.913 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.719 -6.227 7.851 1.00 0.00 H new ATOM 792 N PRO A 54 -9.547 -9.448 3.050 1.00 0.00 N ATOM 793 CA PRO A 54 -10.552 -9.081 2.048 1.00 0.00 C ATOM 794 C PRO A 54 -10.357 -7.663 1.522 1.00 0.00 C ATOM 795 O PRO A 54 -10.307 -7.441 0.312 1.00 0.00 O ATOM 796 CB PRO A 54 -11.873 -9.191 2.814 1.00 0.00 C ATOM 797 CG PRO A 54 -11.501 -8.982 4.241 1.00 0.00 C ATOM 798 CD PRO A 54 -10.124 -9.564 4.400 1.00 0.00 C ATOM 0 HA PRO A 54 -10.500 -9.720 1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.589 -8.441 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.338 -10.166 2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.508 -7.922 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.212 -9.474 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.538 -9.014 5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.162 -10.601 4.733 1.00 0.00 H new ATOM 806 N ARG A 55 -10.246 -6.707 2.439 1.00 0.00 N ATOM 807 CA ARG A 55 -10.057 -5.311 2.067 1.00 0.00 C ATOM 808 C ARG A 55 -8.652 -5.079 1.519 1.00 0.00 C ATOM 809 O ARG A 55 -8.477 -4.789 0.335 1.00 0.00 O ATOM 810 CB ARG A 55 -10.300 -4.402 3.274 1.00 0.00 C ATOM 811 CG ARG A 55 -11.767 -4.081 3.508 1.00 0.00 C ATOM 812 CD ARG A 55 -11.945 -3.074 4.633 1.00 0.00 C ATOM 813 NE ARG A 55 -11.101 -1.896 4.452 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.840 -1.825 4.864 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.280 -2.859 5.477 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.136 -0.719 4.662 1.00 0.00 N ATOM 0 H ARG A 55 -10.284 -6.874 3.444 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.778 -5.069 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.895 -4.880 4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.751 -3.471 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.204 -3.685 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.307 -4.997 3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.990 -2.767 4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.706 -3.548 5.585 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.502 -1.083 3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.818 -3.712 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.312 -2.802 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.563 0.078 4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.168 -0.666 4.979 1.00 0.00 H new ATOM 830 N ILE A 56 -7.654 -5.210 2.387 1.00 0.00 N ATOM 831 CA ILE A 56 -6.265 -5.016 1.989 1.00 0.00 C ATOM 832 C ILE A 56 -5.781 -6.162 1.108 1.00 0.00 C ATOM 833 O ILE A 56 -5.417 -7.228 1.603 1.00 0.00 O ATOM 834 CB ILE A 56 -5.340 -4.898 3.214 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.954 -3.962 4.257 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.964 -4.403 2.794 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.114 -3.815 5.506 1.00 0.00 C ATOM 0 H ILE A 56 -7.782 -5.450 3.370 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.225 -4.085 1.424 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.228 -5.885 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.100 -2.979 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.940 -4.336 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.322 -4.325 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.526 -5.105 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.057 -3.424 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.610 -3.137 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.989 -4.790 5.977 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.137 -3.411 5.242 1.00 0.00 H new ATOM 849 N SER A 57 -5.777 -5.933 -0.202 1.00 0.00 N ATOM 850 CA SER A 57 -5.338 -6.948 -1.153 1.00 0.00 C ATOM 851 C SER A 57 -4.063 -6.509 -1.866 1.00 0.00 C ATOM 852 O SER A 57 -4.022 -5.452 -2.497 1.00 0.00 O ATOM 853 CB SER A 57 -6.439 -7.225 -2.179 1.00 0.00 C ATOM 854 OG SER A 57 -7.563 -7.836 -1.569 1.00 0.00 O ATOM 0 H SER A 57 -6.072 -5.055 -0.628 1.00 0.00 H new ATOM 0 HA SER A 57 -5.128 -7.863 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.742 -6.291 -2.653 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.052 -7.872 -2.966 1.00 0.00 H new ATOM 0 HG SER A 57 -8.253 -8.001 -2.245 1.00 0.00 H new ATOM 860 N VAL A 58 -3.022 -7.328 -1.760 1.00 0.00 N ATOM 861 CA VAL A 58 -1.744 -7.027 -2.395 1.00 0.00 C ATOM 862 C VAL A 58 -1.658 -7.654 -3.782 1.00 0.00 C ATOM 863 O VAL A 58 -1.462 -8.862 -3.918 1.00 0.00 O ATOM 864 CB VAL A 58 -0.562 -7.528 -1.543 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.761 -7.182 -2.209 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.632 -6.943 -0.140 1.00 0.00 C ATOM 0 H VAL A 58 -3.038 -8.206 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.683 -5.942 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.628 -8.613 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.584 -7.544 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.808 -7.653 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.840 -6.101 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.210 -7.307 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.592 -5.855 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.565 -7.247 0.335 1.00 0.00 H new ATOM 876 N LEU A 59 -1.804 -6.825 -4.809 1.00 0.00 N ATOM 877 CA LEU A 59 -1.742 -7.297 -6.188 1.00 0.00 C ATOM 878 C LEU A 59 -0.335 -7.771 -6.539 1.00 0.00 C ATOM 879 O LEU A 59 0.618 -7.510 -5.807 1.00 0.00 O ATOM 880 CB LEU A 59 -2.172 -6.186 -7.148 1.00 0.00 C ATOM 881 CG LEU A 59 -3.419 -5.398 -6.746 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.845 -4.464 -7.869 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.553 -6.344 -6.379 1.00 0.00 C ATOM 0 H LEU A 59 -1.966 -5.823 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.425 -8.140 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.344 -5.486 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.346 -6.628 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.178 -4.795 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.734 -3.911 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.038 -3.763 -8.085 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.068 -5.047 -8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.432 -5.765 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.794 -6.973 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.247 -6.972 -5.542 1.00 0.00 H new ATOM 895 N ASN A 60 -0.214 -8.467 -7.665 1.00 0.00 N ATOM 896 CA ASN A 60 1.077 -8.976 -8.114 1.00 0.00 C ATOM 897 C ASN A 60 2.118 -7.861 -8.150 1.00 0.00 C ATOM 898 O ASN A 60 3.058 -7.850 -7.355 1.00 0.00 O ATOM 899 CB ASN A 60 0.944 -9.611 -9.499 1.00 0.00 C ATOM 900 CG ASN A 60 0.295 -10.981 -9.448 1.00 0.00 C ATOM 901 OD1 ASN A 60 0.907 -11.954 -9.009 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.952 -11.061 -9.898 1.00 0.00 N ATOM 0 H ASN A 60 -0.994 -8.691 -8.283 1.00 0.00 H new ATOM 0 HA ASN A 60 1.408 -9.735 -7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.354 -8.956 -10.141 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.931 -9.697 -9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.441 -11.956 -9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.420 -10.227 -10.253 1.00 0.00 H new ATOM 909 N ASP A 61 1.943 -6.926 -9.077 1.00 0.00 N ATOM 910 CA ASP A 61 2.866 -5.806 -9.217 1.00 0.00 C ATOM 911 C ASP A 61 3.327 -5.308 -7.851 1.00 0.00 C ATOM 912 O ASP A 61 4.486 -4.935 -7.673 1.00 0.00 O ATOM 913 CB ASP A 61 2.204 -4.666 -9.992 1.00 0.00 C ATOM 914 CG ASP A 61 1.968 -5.016 -11.448 1.00 0.00 C ATOM 915 OD1 ASP A 61 2.953 -5.062 -12.214 1.00 0.00 O ATOM 916 OD2 ASP A 61 0.798 -5.244 -11.822 1.00 0.00 O ATOM 0 H ASP A 61 1.170 -6.921 -9.743 1.00 0.00 H new ATOM 0 HA ASP A 61 3.738 -6.153 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.253 -4.416 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.832 -3.777 -9.932 1.00 0.00 H new ATOM 921 N GLY A 62 2.410 -5.304 -6.887 1.00 0.00 N ATOM 922 CA GLY A 62 2.742 -4.849 -5.550 1.00 0.00 C ATOM 923 C GLY A 62 1.909 -3.657 -5.120 1.00 0.00 C ATOM 924 O GLY A 62 2.360 -2.827 -4.331 1.00 0.00 O ATOM 0 H GLY A 62 1.444 -5.608 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.593 -5.666 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.798 -4.583 -5.512 1.00 0.00 H new ATOM 928 N THR A 63 0.689 -3.571 -5.641 1.00 0.00 N ATOM 929 CA THR A 63 -0.207 -2.471 -5.310 1.00 0.00 C ATOM 930 C THR A 63 -1.149 -2.853 -4.174 1.00 0.00 C ATOM 931 O THR A 63 -1.637 -3.982 -4.112 1.00 0.00 O ATOM 932 CB THR A 63 -1.041 -2.038 -6.530 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.184 -1.507 -7.546 1.00 0.00 O ATOM 934 CG2 THR A 63 -2.076 -0.995 -6.136 1.00 0.00 C ATOM 0 H THR A 63 0.299 -4.251 -6.294 1.00 0.00 H new ATOM 0 HA THR A 63 0.420 -1.637 -4.994 1.00 0.00 H new ATOM 0 HB THR A 63 -1.561 -2.915 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.722 -1.236 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.653 -0.705 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.746 -1.413 -5.384 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.572 -0.119 -5.727 1.00 0.00 H new ATOM 942 N LEU A 64 -1.403 -1.906 -3.277 1.00 0.00 N ATOM 943 CA LEU A 64 -2.288 -2.143 -2.143 1.00 0.00 C ATOM 944 C LEU A 64 -3.688 -1.606 -2.423 1.00 0.00 C ATOM 945 O LEU A 64 -3.930 -0.403 -2.337 1.00 0.00 O ATOM 946 CB LEU A 64 -1.721 -1.488 -0.882 1.00 0.00 C ATOM 947 CG LEU A 64 -2.189 -2.077 0.449 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.677 -3.500 0.613 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.730 -1.206 1.609 1.00 0.00 C ATOM 0 H LEU A 64 -1.008 -0.966 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.356 -3.220 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.634 -1.551 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.980 -0.429 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.279 -2.103 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.020 -3.903 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.056 -4.119 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.587 -3.499 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.072 -1.641 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.642 -1.147 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.147 -0.205 1.499 1.00 0.00 H new ATOM 961 N ASN A 65 -4.606 -2.507 -2.756 1.00 0.00 N ATOM 962 CA ASN A 65 -5.983 -2.124 -3.048 1.00 0.00 C ATOM 963 C ASN A 65 -6.843 -2.186 -1.789 1.00 0.00 C ATOM 964 O ASN A 65 -6.613 -3.014 -0.907 1.00 0.00 O ATOM 965 CB ASN A 65 -6.571 -3.037 -4.126 1.00 0.00 C ATOM 966 CG ASN A 65 -7.960 -2.604 -4.555 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.888 -2.564 -3.746 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.109 -2.277 -5.833 1.00 0.00 N ATOM 0 H ASN A 65 -4.422 -3.507 -2.830 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.979 -1.097 -3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.911 -3.043 -4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.612 -4.059 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.020 -1.978 -6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.312 -2.325 -6.468 1.00 0.00 H new ATOM 975 N PHE A 66 -7.834 -1.304 -1.712 1.00 0.00 N ATOM 976 CA PHE A 66 -8.728 -1.257 -0.561 1.00 0.00 C ATOM 977 C PHE A 66 -10.188 -1.294 -1.005 1.00 0.00 C ATOM 978 O PHE A 66 -10.741 -0.284 -1.440 1.00 0.00 O ATOM 979 CB PHE A 66 -8.466 0.004 0.265 1.00 0.00 C ATOM 980 CG PHE A 66 -7.094 0.046 0.875 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.988 0.366 0.104 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.911 -0.234 2.220 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.724 0.406 0.663 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.650 -0.195 2.784 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.555 0.124 2.004 1.00 0.00 C ATOM 0 H PHE A 66 -8.038 -0.612 -2.433 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.531 -2.134 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.599 0.879 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.210 0.070 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.115 0.587 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.763 -0.485 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.870 0.657 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.520 -0.414 3.834 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.568 0.153 2.443 1.00 0.00 H new ATOM 995 N SER A 67 -10.805 -2.465 -0.891 1.00 0.00 N ATOM 996 CA SER A 67 -12.199 -2.636 -1.284 1.00 0.00 C ATOM 997 C SER A 67 -13.055 -1.484 -0.765 1.00 0.00 C ATOM 998 O SER A 67 -13.977 -1.027 -1.442 1.00 0.00 O ATOM 999 CB SER A 67 -12.741 -3.966 -0.757 1.00 0.00 C ATOM 1000 OG SER A 67 -12.255 -5.054 -1.523 1.00 0.00 O ATOM 0 H SER A 67 -10.362 -3.310 -0.530 1.00 0.00 H new ATOM 0 HA SER A 67 -12.245 -2.639 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.451 -4.093 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.831 -3.955 -0.785 1.00 0.00 H new ATOM 0 HG SER A 67 -12.614 -5.892 -1.165 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.742 -1.018 0.440 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.481 0.081 1.050 1.00 0.00 C ATOM 1008 C HIS A 68 -12.756 0.603 2.287 1.00 0.00 C ATOM 1009 O HIS A 68 -12.768 -0.033 3.341 1.00 0.00 O ATOM 1010 CB HIS A 68 -14.892 -0.372 1.426 1.00 0.00 C ATOM 1011 CG HIS A 68 -14.917 -1.546 2.355 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -14.385 -2.775 2.029 1.00 0.00 N ATOM 1013 CD2 HIS A 68 -15.414 -1.673 3.608 1.00 0.00 C ATOM 1014 CE1 HIS A 68 -14.554 -3.608 3.041 1.00 0.00 C ATOM 1015 NE2 HIS A 68 -15.176 -2.963 4.012 1.00 0.00 N ATOM 0 H HIS A 68 -11.982 -1.384 1.013 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.548 0.889 0.322 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.420 0.460 1.891 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.437 -0.627 0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.906 -0.902 4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -14.238 -4.640 3.069 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.437 -3.359 4.915 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.123 1.764 2.151 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.393 2.371 3.256 1.00 0.00 C ATOM 1026 C VAL A 69 -12.345 2.852 4.346 1.00 0.00 C ATOM 1027 O VAL A 69 -13.465 3.277 4.063 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.536 3.558 2.778 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.446 3.083 1.829 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.410 4.612 2.115 1.00 0.00 C ATOM 0 H VAL A 69 -12.102 2.303 1.285 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.738 1.601 3.664 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.056 4.010 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.851 3.936 1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.803 2.368 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.902 2.605 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.789 5.444 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.920 4.175 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.149 4.974 2.830 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.891 2.782 5.593 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.703 3.210 6.727 1.00 0.00 C ATOM 1042 C LEU A 70 -12.030 4.357 7.475 1.00 0.00 C ATOM 1043 O LEU A 70 -10.814 4.537 7.394 1.00 0.00 O ATOM 1044 CB LEU A 70 -12.944 2.038 7.679 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.200 0.681 7.022 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.048 -0.441 8.037 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.583 0.647 6.389 1.00 0.00 C ATOM 0 H LEU A 70 -10.966 2.433 5.844 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.661 3.561 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.078 1.944 8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.798 2.280 8.312 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.459 0.534 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.234 -1.399 7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.036 -0.430 8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.765 -0.299 8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.748 -0.326 5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.339 0.816 7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.655 1.426 5.630 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.829 5.130 8.203 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.311 6.259 8.968 1.00 0.00 C ATOM 1061 C LEU A 71 -11.214 5.810 9.927 1.00 0.00 C ATOM 1062 O LEU A 71 -10.367 6.605 10.335 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.441 6.933 9.748 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.488 7.670 8.911 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.527 8.322 9.809 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.823 8.708 8.019 1.00 0.00 C ATOM 0 H LEU A 71 -13.837 4.996 8.280 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.884 6.976 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.949 6.173 10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.000 7.642 10.448 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.993 6.944 8.274 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.263 8.841 9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -16.025 7.557 10.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.038 9.036 10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.583 9.223 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.291 9.431 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.118 8.215 7.350 1.00 0.00 H new ATOM 1078 N SER A 72 -11.233 4.529 10.283 1.00 0.00 N ATOM 1079 CA SER A 72 -10.241 3.973 11.195 1.00 0.00 C ATOM 1080 C SER A 72 -8.985 3.550 10.440 1.00 0.00 C ATOM 1081 O SER A 72 -7.920 3.375 11.033 1.00 0.00 O ATOM 1082 CB SER A 72 -10.824 2.777 11.950 1.00 0.00 C ATOM 1083 OG SER A 72 -11.946 3.160 12.725 1.00 0.00 O ATOM 0 H SER A 72 -11.925 3.857 9.953 1.00 0.00 H new ATOM 0 HA SER A 72 -9.969 4.748 11.912 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.116 2.002 11.241 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.061 2.345 12.598 1.00 0.00 H new ATOM 0 HG SER A 72 -12.301 2.377 13.196 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.118 3.387 9.128 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.995 2.985 8.290 1.00 0.00 C ATOM 1091 C ASP A 73 -7.053 4.160 8.043 1.00 0.00 C ATOM 1092 O ASP A 73 -5.895 3.973 7.667 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.498 2.430 6.957 1.00 0.00 C ATOM 1094 CG ASP A 73 -9.040 1.020 7.084 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.240 0.097 7.343 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.266 0.840 6.925 1.00 0.00 O ATOM 0 H ASP A 73 -9.993 3.527 8.622 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.444 2.204 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.279 3.082 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.684 2.439 6.233 1.00 0.00 H new ATOM 1101 N THR A 74 -7.558 5.371 8.257 1.00 0.00 N ATOM 1102 CA THR A 74 -6.763 6.576 8.055 1.00 0.00 C ATOM 1103 C THR A 74 -5.466 6.519 8.855 1.00 0.00 C ATOM 1104 O THR A 74 -5.478 6.263 10.058 1.00 0.00 O ATOM 1105 CB THR A 74 -7.547 7.839 8.459 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.726 7.962 7.655 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.686 9.084 8.299 1.00 0.00 C ATOM 0 H THR A 74 -8.513 5.543 8.570 1.00 0.00 H new ATOM 0 HA THR A 74 -6.529 6.627 6.992 1.00 0.00 H new ATOM 0 HB THR A 74 -7.831 7.744 9.507 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.220 8.766 7.919 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.260 9.963 8.590 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.804 9.000 8.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.376 9.181 7.258 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.348 6.761 8.177 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.058 6.733 8.842 1.00 0.00 C ATOM 1117 C GLY A 75 -1.901 6.762 7.862 1.00 0.00 C ATOM 1118 O GLY A 75 -1.940 7.483 6.866 1.00 0.00 O ATOM 0 H GLY A 75 -4.312 6.976 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.981 7.586 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.988 5.835 9.456 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.867 5.977 8.147 1.00 0.00 N ATOM 1123 CA VAL A 76 0.307 5.915 7.284 1.00 0.00 C ATOM 1124 C VAL A 76 0.688 4.472 6.977 1.00 0.00 C ATOM 1125 O VAL A 76 0.790 3.640 7.880 1.00 0.00 O ATOM 1126 CB VAL A 76 1.512 6.628 7.925 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.747 6.481 7.050 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.194 8.096 8.171 1.00 0.00 C ATOM 0 H VAL A 76 -0.818 5.375 8.969 1.00 0.00 H new ATOM 0 HA VAL A 76 0.045 6.423 6.356 1.00 0.00 H new ATOM 0 HB VAL A 76 1.720 6.159 8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.588 6.991 7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.985 5.424 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.555 6.922 6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.057 8.584 8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.959 8.581 7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.338 8.176 8.841 1.00 0.00 H new ATOM 1138 N TYR A 77 0.900 4.181 5.699 1.00 0.00 N ATOM 1139 CA TYR A 77 1.269 2.836 5.272 1.00 0.00 C ATOM 1140 C TYR A 77 2.706 2.802 4.761 1.00 0.00 C ATOM 1141 O TYR A 77 3.195 3.771 4.178 1.00 0.00 O ATOM 1142 CB TYR A 77 0.316 2.346 4.180 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.128 2.280 4.622 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.835 3.435 4.930 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.787 1.061 4.729 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.154 3.379 5.335 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.107 0.995 5.132 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.786 2.157 5.434 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.101 2.097 5.836 1.00 0.00 O ATOM 0 H TYR A 77 0.823 4.858 4.940 1.00 0.00 H new ATOM 0 HA TYR A 77 1.194 2.174 6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.393 3.008 3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.632 1.356 3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.345 4.394 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.258 0.149 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.688 4.287 5.573 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.604 0.039 5.210 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.272 2.796 6.501 1.00 0.00 H new ATOM 1159 N THR A 78 3.380 1.678 4.984 1.00 0.00 N ATOM 1160 CA THR A 78 4.761 1.515 4.548 1.00 0.00 C ATOM 1161 C THR A 78 4.942 0.217 3.769 1.00 0.00 C ATOM 1162 O THR A 78 4.620 -0.864 4.262 1.00 0.00 O ATOM 1163 CB THR A 78 5.732 1.523 5.743 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.597 2.746 6.476 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.170 1.364 5.273 1.00 0.00 C ATOM 0 H THR A 78 2.991 0.867 5.464 1.00 0.00 H new ATOM 0 HA THR A 78 4.989 2.360 3.899 1.00 0.00 H new ATOM 0 HB THR A 78 5.483 0.682 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.217 2.742 7.235 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.837 1.373 6.135 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.276 0.419 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.428 2.187 4.606 1.00 0.00 H new ATOM 1173 N CYS A 79 5.461 0.332 2.551 1.00 0.00 N ATOM 1174 CA CYS A 79 5.685 -0.834 1.703 1.00 0.00 C ATOM 1175 C CYS A 79 7.127 -1.318 1.816 1.00 0.00 C ATOM 1176 O CYS A 79 8.064 -0.588 1.497 1.00 0.00 O ATOM 1177 CB CYS A 79 5.358 -0.502 0.247 1.00 0.00 C ATOM 1178 SG CYS A 79 5.703 -1.846 -0.912 1.00 0.00 S ATOM 0 H CYS A 79 5.734 1.220 2.129 1.00 0.00 H new ATOM 0 HA CYS A 79 5.025 -1.632 2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.304 -0.236 0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.930 0.377 -0.051 1.00 0.00 H new ATOM 0 HG CYS A 79 5.375 -1.477 -2.115 1.00 0.00 H new ATOM 1184 N MET A 80 7.297 -2.555 2.273 1.00 0.00 N ATOM 1185 CA MET A 80 8.625 -3.136 2.428 1.00 0.00 C ATOM 1186 C MET A 80 9.033 -3.901 1.173 1.00 0.00 C ATOM 1187 O MET A 80 8.231 -4.630 0.589 1.00 0.00 O ATOM 1188 CB MET A 80 8.658 -4.068 3.641 1.00 0.00 C ATOM 1189 CG MET A 80 8.049 -3.459 4.893 1.00 0.00 C ATOM 1190 SD MET A 80 8.476 -4.371 6.389 1.00 0.00 S ATOM 1191 CE MET A 80 6.869 -4.516 7.167 1.00 0.00 C ATOM 0 H MET A 80 6.532 -3.173 2.542 1.00 0.00 H new ATOM 0 HA MET A 80 9.335 -2.323 2.584 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.124 -4.987 3.397 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.692 -4.345 3.848 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.388 -2.428 4.992 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.965 -3.430 4.787 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.882 -5.342 7.878 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.634 -3.590 7.691 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.112 -4.704 6.406 1.00 0.00 H new ATOM 1201 N VAL A 81 10.286 -3.731 0.763 1.00 0.00 N ATOM 1202 CA VAL A 81 10.801 -4.406 -0.422 1.00 0.00 C ATOM 1203 C VAL A 81 12.150 -5.058 -0.141 1.00 0.00 C ATOM 1204 O VAL A 81 13.150 -4.374 0.079 1.00 0.00 O ATOM 1205 CB VAL A 81 10.953 -3.429 -1.603 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.408 -4.167 -2.852 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.646 -2.692 -1.855 1.00 0.00 C ATOM 0 H VAL A 81 10.963 -3.131 1.234 1.00 0.00 H new ATOM 0 HA VAL A 81 10.076 -5.176 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 81 11.716 -2.693 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.510 -3.460 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.369 -4.644 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.671 -4.926 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.771 -2.006 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.862 -3.412 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.368 -2.130 -0.964 1.00 0.00 H new ATOM 1217 N THR A 82 12.172 -6.387 -0.149 1.00 0.00 N ATOM 1218 CA THR A 82 13.398 -7.134 0.106 1.00 0.00 C ATOM 1219 C THR A 82 13.784 -7.984 -1.099 1.00 0.00 C ATOM 1220 O THR A 82 13.000 -8.808 -1.566 1.00 0.00 O ATOM 1221 CB THR A 82 13.254 -8.046 1.339 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.760 -7.291 2.451 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.588 -8.679 1.702 1.00 0.00 C ATOM 0 H THR A 82 11.354 -6.969 -0.329 1.00 0.00 H new ATOM 0 HA THR A 82 14.182 -6.401 0.296 1.00 0.00 H new ATOM 0 HB THR A 82 12.547 -8.840 1.096 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.669 -7.878 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.462 -9.319 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.947 -9.276 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.313 -7.897 1.927 1.00 0.00 H new ATOM 1231 N ASN A 83 14.999 -7.778 -1.597 1.00 0.00 N ATOM 1232 CA ASN A 83 15.490 -8.527 -2.748 1.00 0.00 C ATOM 1233 C ASN A 83 16.922 -9.000 -2.519 1.00 0.00 C ATOM 1234 O ASN A 83 17.705 -8.337 -1.838 1.00 0.00 O ATOM 1235 CB ASN A 83 15.421 -7.665 -4.011 1.00 0.00 C ATOM 1236 CG ASN A 83 15.571 -8.483 -5.278 1.00 0.00 C ATOM 1237 OD1 ASN A 83 16.039 -9.621 -5.244 1.00 0.00 O ATOM 1238 ND2 ASN A 83 15.173 -7.906 -6.406 1.00 0.00 N ATOM 0 H ASN A 83 15.661 -7.099 -1.222 1.00 0.00 H new ATOM 0 HA ASN A 83 14.854 -9.402 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.469 -7.135 -4.034 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.205 -6.909 -3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.249 -8.408 -7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.791 -6.960 -6.388 1.00 0.00 H new ATOM 1245 N VAL A 84 17.259 -10.151 -3.093 1.00 0.00 N ATOM 1246 CA VAL A 84 18.597 -10.712 -2.953 1.00 0.00 C ATOM 1247 C VAL A 84 19.665 -9.682 -3.303 1.00 0.00 C ATOM 1248 O VAL A 84 20.829 -9.828 -2.932 1.00 0.00 O ATOM 1249 CB VAL A 84 18.782 -11.951 -3.849 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.813 -11.550 -5.316 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.049 -12.701 -3.466 1.00 0.00 C ATOM 0 H VAL A 84 16.623 -10.713 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 84 18.709 -11.006 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 84 17.933 -12.617 -3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.944 -12.439 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.875 -11.061 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.642 -10.863 -5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.164 -13.573 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.911 -12.045 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.981 -13.023 -2.427 1.00 0.00 H new ATOM 1261 N ALA A 85 19.260 -8.638 -4.020 1.00 0.00 N ATOM 1262 CA ALA A 85 20.181 -7.581 -4.418 1.00 0.00 C ATOM 1263 C ALA A 85 20.265 -6.495 -3.351 1.00 0.00 C ATOM 1264 O ALA A 85 21.354 -6.101 -2.936 1.00 0.00 O ATOM 1265 CB ALA A 85 19.754 -6.983 -5.751 1.00 0.00 C ATOM 0 H ALA A 85 18.300 -8.502 -4.337 1.00 0.00 H new ATOM 0 HA ALA A 85 21.172 -8.020 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.451 -6.195 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.753 -7.760 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.752 -6.565 -5.658 1.00 0.00 H new ATOM 1271 N GLY A 86 19.106 -6.014 -2.911 1.00 0.00 N ATOM 1272 CA GLY A 86 19.071 -4.977 -1.896 1.00 0.00 C ATOM 1273 C GLY A 86 17.735 -4.908 -1.183 1.00 0.00 C ATOM 1274 O GLY A 86 16.833 -5.696 -1.464 1.00 0.00 O ATOM 0 H GLY A 86 18.191 -6.324 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.860 -5.160 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.283 -4.013 -2.359 1.00 0.00 H new ATOM 1278 N ASN A 87 17.609 -3.964 -0.257 1.00 0.00 N ATOM 1279 CA ASN A 87 16.374 -3.797 0.501 1.00 0.00 C ATOM 1280 C ASN A 87 15.959 -2.329 0.549 1.00 0.00 C ATOM 1281 O ASN A 87 16.784 -1.449 0.794 1.00 0.00 O ATOM 1282 CB ASN A 87 16.545 -4.337 1.922 1.00 0.00 C ATOM 1283 CG ASN A 87 17.823 -3.848 2.576 1.00 0.00 C ATOM 1284 OD1 ASN A 87 17.850 -2.783 3.193 1.00 0.00 O ATOM 1285 ND2 ASN A 87 18.891 -4.626 2.443 1.00 0.00 N ATOM 0 H ASN A 87 18.346 -3.303 -0.013 1.00 0.00 H new ATOM 0 HA ASN A 87 15.589 -4.362 -0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.691 -4.034 2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.547 -5.427 1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.779 -4.349 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.823 -5.501 1.923 1.00 0.00 H new ATOM 1292 N SER A 88 14.676 -2.074 0.315 1.00 0.00 N ATOM 1293 CA SER A 88 14.152 -0.714 0.329 1.00 0.00 C ATOM 1294 C SER A 88 12.680 -0.702 0.728 1.00 0.00 C ATOM 1295 O SER A 88 11.990 -1.716 0.627 1.00 0.00 O ATOM 1296 CB SER A 88 14.324 -0.065 -1.046 1.00 0.00 C ATOM 1297 OG SER A 88 15.688 0.215 -1.311 1.00 0.00 O ATOM 0 H SER A 88 13.980 -2.792 0.113 1.00 0.00 H new ATOM 0 HA SER A 88 14.715 -0.142 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.929 -0.728 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.745 0.857 -1.091 1.00 0.00 H new ATOM 0 HG SER A 88 15.819 0.321 -2.276 1.00 0.00 H new ATOM 1303 N ASN A 89 12.206 0.453 1.184 1.00 0.00 N ATOM 1304 CA ASN A 89 10.815 0.598 1.600 1.00 0.00 C ATOM 1305 C ASN A 89 10.341 2.037 1.422 1.00 0.00 C ATOM 1306 O ASN A 89 11.143 2.970 1.429 1.00 0.00 O ATOM 1307 CB ASN A 89 10.652 0.172 3.061 1.00 0.00 C ATOM 1308 CG ASN A 89 11.759 0.710 3.947 1.00 0.00 C ATOM 1309 OD1 ASN A 89 11.795 2.026 4.115 1.00 0.00 O flip ATOM 1310 ND2 ASN A 89 12.571 -0.050 4.474 1.00 0.00 N flip ATOM 0 H ASN A 89 12.764 1.302 1.275 1.00 0.00 H new ATOM 0 HA ASN A 89 10.203 -0.047 0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.689 0.522 3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.640 -0.916 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.505 -1.056 4.317 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.310 0.326 5.068 1.00 0.00 H new ATOM 1317 N ALA A 90 9.033 2.207 1.262 1.00 0.00 N ATOM 1318 CA ALA A 90 8.451 3.532 1.085 1.00 0.00 C ATOM 1319 C ALA A 90 7.296 3.759 2.054 1.00 0.00 C ATOM 1320 O ALA A 90 6.813 2.821 2.689 1.00 0.00 O ATOM 1321 CB ALA A 90 7.981 3.713 -0.351 1.00 0.00 C ATOM 0 H ALA A 90 8.356 1.444 1.251 1.00 0.00 H new ATOM 0 HA ALA A 90 9.222 4.272 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.548 4.706 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.828 3.603 -1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.229 2.960 -0.585 1.00 0.00 H new ATOM 1327 N SER A 91 6.859 5.009 2.165 1.00 0.00 N ATOM 1328 CA SER A 91 5.764 5.360 3.061 1.00 0.00 C ATOM 1329 C SER A 91 4.754 6.261 2.357 1.00 0.00 C ATOM 1330 O SER A 91 5.051 6.855 1.322 1.00 0.00 O ATOM 1331 CB SER A 91 6.303 6.057 4.311 1.00 0.00 C ATOM 1332 OG SER A 91 7.311 6.996 3.977 1.00 0.00 O ATOM 0 H SER A 91 7.247 5.796 1.645 1.00 0.00 H new ATOM 0 HA SER A 91 5.260 4.440 3.357 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.488 6.562 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.707 5.315 5.000 1.00 0.00 H new ATOM 0 HG SER A 91 7.638 7.429 4.793 1.00 0.00 H new ATOM 1338 N ALA A 92 3.558 6.358 2.929 1.00 0.00 N ATOM 1339 CA ALA A 92 2.504 7.188 2.359 1.00 0.00 C ATOM 1340 C ALA A 92 1.346 7.354 3.337 1.00 0.00 C ATOM 1341 O ALA A 92 1.130 6.510 4.208 1.00 0.00 O ATOM 1342 CB ALA A 92 2.010 6.589 1.050 1.00 0.00 C ATOM 0 H ALA A 92 3.295 5.872 3.786 1.00 0.00 H new ATOM 0 HA ALA A 92 2.921 8.175 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.223 7.219 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.837 6.529 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.616 5.589 1.233 1.00 0.00 H new ATOM 1348 N TYR A 93 0.605 8.446 3.190 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.530 8.724 4.063 1.00 0.00 C ATOM 1350 C TYR A 93 -1.847 8.567 3.311 1.00 0.00 C ATOM 1351 O TYR A 93 -1.946 8.903 2.129 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.423 10.137 4.639 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.428 10.423 5.731 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.730 10.798 5.424 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -1.076 10.317 7.071 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.651 11.061 6.419 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.991 10.576 8.073 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.277 10.949 7.742 1.00 0.00 C ATOM 1359 OH TYR A 93 -4.192 11.209 8.736 1.00 0.00 O ATOM 0 H TYR A 93 0.770 9.154 2.474 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.512 8.003 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.582 10.284 5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.558 10.860 3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.027 10.885 4.389 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.069 10.027 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.659 11.353 6.163 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.701 10.487 9.110 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.769 11.083 9.611 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.859 8.056 4.003 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.173 7.855 3.402 1.00 0.00 C ATOM 1371 C LEU A 94 -5.256 8.561 4.212 1.00 0.00 C ATOM 1372 O LEU A 94 -5.470 8.252 5.383 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.488 6.361 3.303 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.928 6.001 2.937 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.091 5.927 1.426 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.330 4.684 3.584 1.00 0.00 C ATOM 0 H LEU A 94 -2.795 7.773 4.981 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.156 8.284 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.824 5.919 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.250 5.896 4.260 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.586 6.783 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.122 5.670 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.845 6.893 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.423 5.165 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.358 4.444 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.668 3.891 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.252 4.772 4.668 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.937 9.511 3.578 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.999 10.260 4.239 1.00 0.00 C ATOM 1390 C ASN A 95 -8.369 9.690 3.884 1.00 0.00 C ATOM 1391 O ASN A 95 -8.688 9.496 2.711 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.932 11.737 3.845 1.00 0.00 C ATOM 1393 CG ASN A 95 -7.994 12.569 4.536 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.605 12.131 5.511 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.219 13.777 4.033 1.00 0.00 N ATOM 0 H ASN A 95 -5.772 9.780 2.608 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.855 10.171 5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.947 12.132 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.049 11.828 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.922 14.383 4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.689 14.099 3.223 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.176 9.423 4.907 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.513 8.877 4.704 1.00 0.00 C ATOM 1404 C VAL A 96 -11.576 9.785 5.311 1.00 0.00 C ATOM 1405 O VAL A 96 -11.688 9.896 6.532 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.643 7.470 5.317 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.012 6.880 5.013 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.536 6.561 4.804 1.00 0.00 C ATOM 0 H VAL A 96 -8.927 9.576 5.884 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.668 8.812 3.627 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.541 7.553 6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.086 5.886 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.786 7.522 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.146 6.809 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.643 5.571 5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.604 6.482 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.567 6.978 5.078 1.00 0.00 H new ATOM 1418 N SER A 97 -12.355 10.433 4.451 1.00 0.00 N ATOM 1419 CA SER A 97 -13.408 11.335 4.903 1.00 0.00 C ATOM 1420 C SER A 97 -14.777 10.670 4.792 1.00 0.00 C ATOM 1421 O SER A 97 -15.144 10.151 3.738 1.00 0.00 O ATOM 1422 CB SER A 97 -13.388 12.627 4.085 1.00 0.00 C ATOM 1423 OG SER A 97 -14.270 13.592 4.634 1.00 0.00 O ATOM 0 H SER A 97 -12.277 10.350 3.437 1.00 0.00 H new ATOM 0 HA SER A 97 -13.223 11.574 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.375 13.029 4.059 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.673 12.413 3.055 1.00 0.00 H new ATOM 0 HG SER A 97 -14.238 14.409 4.094 1.00 0.00 H new ATOM 1429 N SER A 98 -15.529 10.691 5.888 1.00 0.00 N ATOM 1430 CA SER A 98 -16.856 10.088 5.916 1.00 0.00 C ATOM 1431 C SER A 98 -17.800 10.808 4.958 1.00 0.00 C ATOM 1432 O SER A 98 -17.847 12.036 4.922 1.00 0.00 O ATOM 1433 CB SER A 98 -17.426 10.124 7.336 1.00 0.00 C ATOM 1434 OG SER A 98 -17.348 11.428 7.883 1.00 0.00 O ATOM 0 H SER A 98 -15.242 11.119 6.768 1.00 0.00 H new ATOM 0 HA SER A 98 -16.764 9.050 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.464 9.793 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 98 -16.877 9.427 7.969 1.00 0.00 H new ATOM 0 HG SER A 98 -17.471 12.090 7.171 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.552 10.032 4.183 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.486 10.611 3.235 1.00 0.00 C ATOM 1442 C GLY A 99 -18.896 10.736 1.844 1.00 0.00 C ATOM 1443 O GLY A 99 -17.682 10.669 1.653 1.00 0.00 O ATOM 0 H GLY A 99 -18.531 9.012 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.384 9.995 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.792 11.596 3.587 1.00 0.00 H new ATOM 1447 N PRO A 100 -19.769 10.921 0.842 1.00 0.00 N ATOM 1448 CA PRO A 100 -19.351 11.058 -0.556 1.00 0.00 C ATOM 1449 C PRO A 100 -18.622 12.372 -0.817 1.00 0.00 C ATOM 1450 O PRO A 100 -18.299 13.109 0.114 1.00 0.00 O ATOM 1451 CB PRO A 100 -20.673 11.017 -1.327 1.00 0.00 C ATOM 1452 CG PRO A 100 -21.695 11.488 -0.351 1.00 0.00 C ATOM 1453 CD PRO A 100 -21.230 11.011 0.998 1.00 0.00 C ATOM 0 HA PRO A 100 -18.647 10.280 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -20.639 11.661 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -20.896 10.009 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -21.783 12.574 -0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -22.679 11.084 -0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.508 11.708 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -21.667 10.046 1.256 1.00 0.00 H new ATOM 1461 N SER A 101 -18.367 12.659 -2.090 1.00 0.00 N ATOM 1462 CA SER A 101 -17.673 13.883 -2.473 1.00 0.00 C ATOM 1463 C SER A 101 -18.589 14.796 -3.283 1.00 0.00 C ATOM 1464 O SER A 101 -18.174 15.381 -4.283 1.00 0.00 O ATOM 1465 CB SER A 101 -16.419 13.551 -3.283 1.00 0.00 C ATOM 1466 OG SER A 101 -15.667 14.720 -3.560 1.00 0.00 O ATOM 0 H SER A 101 -18.631 12.061 -2.873 1.00 0.00 H new ATOM 0 HA SER A 101 -17.381 14.406 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.803 12.841 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.703 13.068 -4.218 1.00 0.00 H new ATOM 0 HG SER A 101 -16.245 15.388 -3.984 1.00 0.00 H new ATOM 1472 N SER A 102 -19.838 14.912 -2.843 1.00 0.00 N ATOM 1473 CA SER A 102 -20.815 15.750 -3.528 1.00 0.00 C ATOM 1474 C SER A 102 -21.641 16.551 -2.526 1.00 0.00 C ATOM 1475 O SER A 102 -21.625 16.273 -1.328 1.00 0.00 O ATOM 1476 CB SER A 102 -21.737 14.890 -4.395 1.00 0.00 C ATOM 1477 OG SER A 102 -21.035 14.337 -5.494 1.00 0.00 O ATOM 0 H SER A 102 -20.197 14.436 -2.015 1.00 0.00 H new ATOM 0 HA SER A 102 -20.274 16.448 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 102 -22.165 14.089 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 102 -22.568 15.495 -4.758 1.00 0.00 H new ATOM 0 HG SER A 102 -21.646 13.791 -6.031 1.00 0.00 H new ATOM 1483 N GLY A 103 -22.364 17.548 -3.028 1.00 0.00 N ATOM 1484 CA GLY A 103 -23.186 18.376 -2.165 1.00 0.00 C ATOM 1485 C GLY A 103 -24.485 17.697 -1.777 1.00 0.00 C ATOM 1486 O GLY A 103 -25.239 18.210 -0.950 1.00 0.00 O ATOM 0 H GLY A 103 -22.395 17.797 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.626 18.624 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -23.408 19.315 -2.671 1.00 0.00 H new TER 1490 GLY A 103