USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -141:sc= 0.0278 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 8 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.72) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= 0.338 (180deg=0.0187) USER MOD Single : A 26 THR OG1 : rot -25:sc= 0.316 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 92:sc= 0.894 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 42 ASN : amide:sc= -0.0095 X(o=-0.0095,f=0) USER MOD Single : A 44 THR OG1 : rot -40:sc= 0.609 USER MOD Single : A 49 GLN : amide:sc= -0.509 K(o=-0.51,f=-4.3!) USER MOD Single : A 51 MET CE :methyl -179:sc= -0.0105 (180deg=-0.0122) USER MOD Single : A 53 ASN : amide:sc= -0.149 K(o=-0.15,f=-1) USER MOD Single : A 60 ASN : amide:sc=-0.00725 X(o=-0.0072,f=-0.0082) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 80:sc= 0.658 USER MOD Single : A 71 MET CE :methyl 168:sc= -1.66 (180deg=-2.53) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.0224 (180deg=-0.295) USER MOD Single : A 76 MET CE :methyl -155:sc= -0.153 (180deg=-0.874) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -0.0212 (180deg=-0.266) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= -0.277 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 61 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.77) USER MOD Single : B 63 LYS NZ :NH3+ -164:sc=-0.00579 (180deg=-0.261) USER MOD Single : B 65 MET CE :methyl -170:sc= 0 (180deg=-0.0226) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.406 -17.062 -13.352 1.00 0.00 N ATOM 2 CA ALA A 1 -4.645 -16.343 -13.733 1.00 0.00 C ATOM 3 C ALA A 1 -5.043 -15.403 -12.602 1.00 0.00 C ATOM 4 O ALA A 1 -4.197 -14.754 -11.985 1.00 0.00 O ATOM 5 CB ALA A 1 -5.768 -17.349 -14.001 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.787 -17.151 -14.183 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.912 -16.531 -12.607 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.649 -18.009 -12.998 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.470 -15.765 -14.640 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.676 -16.815 -14.281 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.474 -18.015 -14.813 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.954 -17.935 -13.101 1.00 0.00 H new ATOM 13 N ASP A 2 -6.338 -15.325 -12.343 1.00 0.00 N ATOM 14 CA ASP A 2 -6.858 -14.453 -11.300 1.00 0.00 C ATOM 15 C ASP A 2 -6.724 -15.105 -9.923 1.00 0.00 C ATOM 16 O ASP A 2 -7.069 -14.508 -8.908 1.00 0.00 O ATOM 17 CB ASP A 2 -8.318 -14.145 -11.608 1.00 0.00 C ATOM 18 CG ASP A 2 -8.395 -13.287 -12.867 1.00 0.00 C ATOM 19 OD1 ASP A 2 -7.367 -12.769 -13.268 1.00 0.00 O ATOM 20 OD2 ASP A 2 -9.480 -13.159 -13.412 1.00 0.00 O ATOM 0 H ASP A 2 -7.051 -15.857 -12.842 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.281 -13.528 -11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.875 -15.071 -11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.777 -13.622 -10.769 1.00 0.00 H new ATOM 25 N GLN A 3 -6.219 -16.340 -9.903 1.00 0.00 N ATOM 26 CA GLN A 3 -6.040 -17.072 -8.647 1.00 0.00 C ATOM 27 C GLN A 3 -4.773 -16.604 -7.925 1.00 0.00 C ATOM 28 O GLN A 3 -3.868 -16.041 -8.542 1.00 0.00 O ATOM 29 CB GLN A 3 -5.944 -18.572 -8.934 1.00 0.00 C ATOM 30 CG GLN A 3 -7.284 -19.075 -9.475 1.00 0.00 C ATOM 31 CD GLN A 3 -7.187 -20.559 -9.816 1.00 0.00 C ATOM 32 OE1 GLN A 3 -6.143 -21.177 -9.599 1.00 0.00 O ATOM 33 NE2 GLN A 3 -8.221 -21.171 -10.335 1.00 0.00 N ATOM 0 H GLN A 3 -5.928 -16.852 -10.736 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.899 -16.876 -8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.152 -18.765 -9.658 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.682 -19.111 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -8.068 -18.914 -8.734 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.563 -18.507 -10.363 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.083 -20.655 -10.513 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.165 -22.164 -10.562 1.00 0.00 H new ATOM 42 N LEU A 4 -4.721 -16.825 -6.610 1.00 0.00 N ATOM 43 CA LEU A 4 -3.566 -16.407 -5.813 1.00 0.00 C ATOM 44 C LEU A 4 -2.351 -17.290 -6.117 1.00 0.00 C ATOM 45 O LEU A 4 -2.435 -18.208 -6.935 1.00 0.00 O ATOM 46 CB LEU A 4 -3.913 -16.484 -4.309 1.00 0.00 C ATOM 47 CG LEU A 4 -3.210 -15.353 -3.529 1.00 0.00 C ATOM 48 CD1 LEU A 4 -4.042 -14.070 -3.598 1.00 0.00 C ATOM 49 CD2 LEU A 4 -3.035 -15.761 -2.066 1.00 0.00 C ATOM 0 H LEU A 4 -5.458 -17.287 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.317 -15.378 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.992 -16.409 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.609 -17.452 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.233 -15.175 -3.978 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.537 -13.279 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.159 -13.767 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.024 -14.249 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.538 -14.958 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.012 -15.950 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.430 -16.666 -2.011 1.00 0.00 H new ATOM 61 N THR A 5 -1.229 -17.000 -5.449 1.00 0.00 N ATOM 62 CA THR A 5 -0.002 -17.766 -5.642 1.00 0.00 C ATOM 63 C THR A 5 1.089 -17.292 -4.676 1.00 0.00 C ATOM 64 O THR A 5 0.897 -16.334 -3.927 1.00 0.00 O ATOM 65 CB THR A 5 0.490 -17.609 -7.083 1.00 0.00 C ATOM 66 OG1 THR A 5 1.694 -18.341 -7.253 1.00 0.00 O ATOM 67 CG2 THR A 5 0.742 -16.131 -7.396 1.00 0.00 C ATOM 0 H THR A 5 -1.150 -16.241 -4.772 1.00 0.00 H new ATOM 0 HA THR A 5 -0.218 -18.816 -5.442 1.00 0.00 H new ATOM 0 HB THR A 5 -0.272 -17.991 -7.763 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.009 -18.243 -8.176 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.092 -16.031 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.184 -15.570 -7.272 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.498 -15.739 -6.716 1.00 0.00 H new ATOM 75 N GLU A 6 2.242 -17.955 -4.714 1.00 0.00 N ATOM 76 CA GLU A 6 3.357 -17.579 -3.852 1.00 0.00 C ATOM 77 C GLU A 6 3.783 -16.143 -4.159 1.00 0.00 C ATOM 78 O GLU A 6 3.943 -15.324 -3.265 1.00 0.00 O ATOM 79 CB GLU A 6 4.530 -18.542 -4.083 1.00 0.00 C ATOM 80 CG GLU A 6 5.645 -18.267 -3.072 1.00 0.00 C ATOM 81 CD GLU A 6 6.811 -19.228 -3.297 1.00 0.00 C ATOM 82 OE1 GLU A 6 7.206 -19.395 -4.439 1.00 0.00 O ATOM 83 OE2 GLU A 6 7.296 -19.780 -2.322 1.00 0.00 O ATOM 0 H GLU A 6 2.427 -18.749 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 6 3.049 -17.639 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.188 -19.573 -3.987 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.912 -18.425 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.989 -17.237 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.262 -18.380 -2.058 1.00 0.00 H new ATOM 90 N GLU A 7 3.985 -15.844 -5.433 1.00 0.00 N ATOM 91 CA GLU A 7 4.394 -14.508 -5.824 1.00 0.00 C ATOM 92 C GLU A 7 3.550 -13.451 -5.112 1.00 0.00 C ATOM 93 O GLU A 7 4.081 -12.538 -4.485 1.00 0.00 O ATOM 94 CB GLU A 7 4.230 -14.376 -7.345 1.00 0.00 C ATOM 95 CG GLU A 7 4.450 -12.931 -7.781 1.00 0.00 C ATOM 96 CD GLU A 7 4.418 -12.823 -9.307 1.00 0.00 C ATOM 97 OE1 GLU A 7 3.988 -13.771 -9.944 1.00 0.00 O ATOM 98 OE2 GLU A 7 4.818 -11.789 -9.814 1.00 0.00 O ATOM 0 H GLU A 7 3.873 -16.502 -6.205 1.00 0.00 H new ATOM 0 HA GLU A 7 5.435 -14.349 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.942 -15.028 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.233 -14.703 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.679 -12.293 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.408 -12.573 -7.405 1.00 0.00 H new ATOM 105 N GLN A 8 2.237 -13.555 -5.258 1.00 0.00 N ATOM 106 CA GLN A 8 1.314 -12.581 -4.685 1.00 0.00 C ATOM 107 C GLN A 8 1.642 -12.230 -3.236 1.00 0.00 C ATOM 108 O GLN A 8 1.847 -11.058 -2.920 1.00 0.00 O ATOM 109 CB GLN A 8 -0.100 -13.150 -4.746 1.00 0.00 C ATOM 110 CG GLN A 8 -1.134 -12.021 -4.658 1.00 0.00 C ATOM 111 CD GLN A 8 -1.151 -11.213 -5.948 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.141 -11.787 -7.038 1.00 0.00 O ATOM 113 NE2 GLN A 8 -1.185 -9.907 -5.889 1.00 0.00 N ATOM 0 H GLN A 8 1.782 -14.310 -5.772 1.00 0.00 H new ATOM 0 HA GLN A 8 1.404 -11.665 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.236 -13.705 -5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.251 -13.855 -3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.123 -12.439 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.899 -11.369 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.193 -9.437 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.203 -9.358 -6.748 1.00 0.00 H new ATOM 122 N ILE A 9 1.668 -13.226 -2.348 1.00 0.00 N ATOM 123 CA ILE A 9 1.947 -12.938 -0.949 1.00 0.00 C ATOM 124 C ILE A 9 3.289 -12.219 -0.802 1.00 0.00 C ATOM 125 O ILE A 9 3.382 -11.201 -0.112 1.00 0.00 O ATOM 126 CB ILE A 9 1.924 -14.235 -0.124 1.00 0.00 C ATOM 127 CG1 ILE A 9 2.730 -15.318 -0.834 1.00 0.00 C ATOM 128 CG2 ILE A 9 0.484 -14.719 0.026 1.00 0.00 C ATOM 129 CD1 ILE A 9 2.801 -16.573 0.023 1.00 0.00 C ATOM 0 H ILE A 9 1.504 -14.209 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 9 1.170 -12.276 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 9 2.358 -14.036 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.271 -15.551 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.736 -14.954 -1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.468 -15.639 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.105 -13.956 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.059 -14.909 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.379 -17.337 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.281 -16.338 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.793 -16.945 0.208 1.00 0.00 H new ATOM 141 N ALA A 10 4.320 -12.728 -1.460 1.00 0.00 N ATOM 142 CA ALA A 10 5.628 -12.104 -1.388 1.00 0.00 C ATOM 143 C ALA A 10 5.550 -10.670 -1.909 1.00 0.00 C ATOM 144 O ALA A 10 6.096 -9.741 -1.312 1.00 0.00 O ATOM 145 CB ALA A 10 6.618 -12.913 -2.232 1.00 0.00 C ATOM 0 H ALA A 10 4.276 -13.563 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 10 5.965 -12.083 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.603 -12.449 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.677 -13.931 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.280 -12.935 -3.268 1.00 0.00 H new ATOM 151 N GLU A 11 4.852 -10.512 -3.031 1.00 0.00 N ATOM 152 CA GLU A 11 4.684 -9.208 -3.661 1.00 0.00 C ATOM 153 C GLU A 11 4.164 -8.190 -2.648 1.00 0.00 C ATOM 154 O GLU A 11 4.661 -7.066 -2.582 1.00 0.00 O ATOM 155 CB GLU A 11 3.694 -9.326 -4.822 1.00 0.00 C ATOM 156 CG GLU A 11 3.789 -8.091 -5.717 1.00 0.00 C ATOM 157 CD GLU A 11 5.075 -8.135 -6.540 1.00 0.00 C ATOM 158 OE1 GLU A 11 5.774 -9.130 -6.459 1.00 0.00 O ATOM 159 OE2 GLU A 11 5.340 -7.171 -7.237 1.00 0.00 O ATOM 0 H GLU A 11 4.392 -11.277 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 11 5.651 -8.870 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.907 -10.223 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.680 -9.429 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.925 -8.046 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.770 -7.188 -5.107 1.00 0.00 H new ATOM 166 N PHE A 12 3.168 -8.585 -1.858 1.00 0.00 N ATOM 167 CA PHE A 12 2.612 -7.691 -0.858 1.00 0.00 C ATOM 168 C PHE A 12 3.677 -7.354 0.199 1.00 0.00 C ATOM 169 O PHE A 12 3.807 -6.205 0.619 1.00 0.00 O ATOM 170 CB PHE A 12 1.341 -8.342 -0.236 1.00 0.00 C ATOM 171 CG PHE A 12 1.496 -8.545 1.255 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.621 -7.437 2.104 1.00 0.00 C ATOM 173 CD2 PHE A 12 1.531 -9.840 1.787 1.00 0.00 C ATOM 174 CE1 PHE A 12 1.777 -7.621 3.472 1.00 0.00 C ATOM 175 CE2 PHE A 12 1.687 -10.020 3.160 1.00 0.00 C ATOM 176 CZ PHE A 12 1.808 -8.910 4.003 1.00 0.00 C ATOM 0 H PHE A 12 2.737 -9.509 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 12 2.312 -6.749 -1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.475 -7.710 -0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.150 -9.301 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.596 -6.438 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.437 -10.696 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.874 -6.766 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.715 -11.017 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.926 -9.052 5.067 1.00 0.00 H new ATOM 186 N LYS A 13 4.427 -8.366 0.630 1.00 0.00 N ATOM 187 CA LYS A 13 5.453 -8.161 1.632 1.00 0.00 C ATOM 188 C LYS A 13 6.449 -7.103 1.164 1.00 0.00 C ATOM 189 O LYS A 13 6.806 -6.195 1.916 1.00 0.00 O ATOM 190 CB LYS A 13 6.180 -9.479 1.878 1.00 0.00 C ATOM 191 CG LYS A 13 6.918 -9.438 3.239 1.00 0.00 C ATOM 192 CD LYS A 13 8.285 -10.081 3.119 1.00 0.00 C ATOM 193 CE LYS A 13 8.147 -11.576 2.815 1.00 0.00 C ATOM 194 NZ LYS A 13 9.479 -12.225 2.955 1.00 0.00 N ATOM 0 H LYS A 13 4.340 -9.327 0.300 1.00 0.00 H new ATOM 0 HA LYS A 13 4.988 -7.816 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.467 -10.303 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.893 -9.664 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.023 -8.405 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.330 -9.958 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.855 -9.594 2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.842 -9.942 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.432 -12.034 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.762 -11.721 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.393 -13.241 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.148 -11.792 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.828 -12.096 3.926 1.00 0.00 H new ATOM 208 N GLU A 14 6.881 -7.221 -0.087 1.00 0.00 N ATOM 209 CA GLU A 14 7.825 -6.264 -0.652 1.00 0.00 C ATOM 210 C GLU A 14 7.220 -4.860 -0.619 1.00 0.00 C ATOM 211 O GLU A 14 7.819 -3.924 -0.083 1.00 0.00 O ATOM 212 CB GLU A 14 8.143 -6.645 -2.103 1.00 0.00 C ATOM 213 CG GLU A 14 8.853 -8.008 -2.161 1.00 0.00 C ATOM 214 CD GLU A 14 10.207 -7.947 -1.457 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.720 -6.853 -1.285 1.00 0.00 O ATOM 216 OE2 GLU A 14 10.713 -8.999 -1.102 1.00 0.00 O ATOM 0 H GLU A 14 6.595 -7.964 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 14 8.742 -6.279 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.222 -6.683 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.774 -5.880 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.228 -8.768 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.992 -8.306 -3.200 1.00 0.00 H new ATOM 223 N ALA A 15 6.020 -4.725 -1.179 1.00 0.00 N ATOM 224 CA ALA A 15 5.337 -3.437 -1.202 1.00 0.00 C ATOM 225 C ALA A 15 5.179 -2.906 0.221 1.00 0.00 C ATOM 226 O ALA A 15 5.409 -1.720 0.494 1.00 0.00 O ATOM 227 CB ALA A 15 3.969 -3.597 -1.868 1.00 0.00 C ATOM 0 H ALA A 15 5.505 -5.487 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 15 5.928 -2.722 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.458 -2.634 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.101 -3.956 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.372 -4.315 -1.305 1.00 0.00 H new ATOM 233 N PHE A 16 4.809 -3.793 1.132 1.00 0.00 N ATOM 234 CA PHE A 16 4.649 -3.406 2.524 1.00 0.00 C ATOM 235 C PHE A 16 5.948 -2.811 3.074 1.00 0.00 C ATOM 236 O PHE A 16 5.947 -1.729 3.662 1.00 0.00 O ATOM 237 CB PHE A 16 4.214 -4.647 3.348 1.00 0.00 C ATOM 238 CG PHE A 16 4.901 -4.677 4.702 1.00 0.00 C ATOM 239 CD1 PHE A 16 4.570 -3.741 5.688 1.00 0.00 C ATOM 240 CD2 PHE A 16 5.900 -5.629 4.946 1.00 0.00 C ATOM 241 CE1 PHE A 16 5.237 -3.763 6.919 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.568 -5.643 6.169 1.00 0.00 C ATOM 243 CZ PHE A 16 6.237 -4.714 7.153 1.00 0.00 C ATOM 0 H PHE A 16 4.616 -4.775 0.935 1.00 0.00 H new ATOM 0 HA PHE A 16 3.880 -2.638 2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.133 -4.634 3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.454 -5.556 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.803 -3.004 5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.153 -6.353 4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.980 -3.048 7.686 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.342 -6.373 6.354 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.754 -4.728 8.101 1.00 0.00 H new ATOM 253 N SER A 17 7.044 -3.533 2.889 1.00 0.00 N ATOM 254 CA SER A 17 8.338 -3.082 3.384 1.00 0.00 C ATOM 255 C SER A 17 8.661 -1.680 2.881 1.00 0.00 C ATOM 256 O SER A 17 9.257 -0.875 3.597 1.00 0.00 O ATOM 257 CB SER A 17 9.434 -4.051 2.934 1.00 0.00 C ATOM 258 OG SER A 17 10.686 -3.618 3.447 1.00 0.00 O ATOM 0 H SER A 17 7.064 -4.429 2.402 1.00 0.00 H new ATOM 0 HA SER A 17 8.293 -3.056 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.212 -5.058 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.470 -4.096 1.846 1.00 0.00 H new ATOM 0 HG SER A 17 11.389 -4.238 3.161 1.00 0.00 H new ATOM 264 N LEU A 18 8.271 -1.395 1.645 1.00 0.00 N ATOM 265 CA LEU A 18 8.539 -0.080 1.057 1.00 0.00 C ATOM 266 C LEU A 18 7.804 1.017 1.811 1.00 0.00 C ATOM 267 O LEU A 18 8.359 2.088 2.056 1.00 0.00 O ATOM 268 CB LEU A 18 8.109 -0.056 -0.410 1.00 0.00 C ATOM 269 CG LEU A 18 8.995 -1.006 -1.235 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.452 -1.099 -2.670 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.460 -0.504 -1.265 1.00 0.00 C ATOM 0 H LEU A 18 7.775 -2.044 1.034 1.00 0.00 H new ATOM 0 HA LEU A 18 9.611 0.102 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.064 -0.354 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.185 0.958 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 18 8.976 -1.991 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.080 -1.772 -3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.432 -1.482 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.459 -0.109 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.068 -1.191 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.495 0.488 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.849 -0.456 -0.248 1.00 0.00 H new ATOM 283 N PHE A 19 6.552 0.754 2.159 1.00 0.00 N ATOM 284 CA PHE A 19 5.753 1.748 2.869 1.00 0.00 C ATOM 285 C PHE A 19 6.215 1.930 4.309 1.00 0.00 C ATOM 286 O PHE A 19 6.419 3.050 4.750 1.00 0.00 O ATOM 287 CB PHE A 19 4.283 1.350 2.861 1.00 0.00 C ATOM 288 CG PHE A 19 3.765 1.335 1.440 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.768 2.507 0.668 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.283 0.145 0.891 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.293 2.477 -0.646 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.812 0.115 -0.413 1.00 0.00 C ATOM 293 CZ PHE A 19 2.816 1.280 -1.190 1.00 0.00 C ATOM 0 H PHE A 19 6.072 -0.125 1.966 1.00 0.00 H new ATOM 0 HA PHE A 19 5.885 2.696 2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.161 0.366 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.704 2.051 3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.137 3.431 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.277 -0.757 1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.294 3.378 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.441 -0.809 -0.830 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.452 1.254 -2.206 1.00 0.00 H new ATOM 303 N ASP A 20 6.361 0.835 5.043 1.00 0.00 N ATOM 304 CA ASP A 20 6.785 0.926 6.440 1.00 0.00 C ATOM 305 C ASP A 20 8.177 1.551 6.558 1.00 0.00 C ATOM 306 O ASP A 20 9.151 0.865 6.862 1.00 0.00 O ATOM 307 CB ASP A 20 6.802 -0.469 7.066 1.00 0.00 C ATOM 308 CG ASP A 20 7.092 -0.370 8.561 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.394 0.719 9.017 1.00 0.00 O ATOM 310 OD2 ASP A 20 7.011 -1.386 9.229 1.00 0.00 O ATOM 0 H ASP A 20 6.196 -0.113 4.705 1.00 0.00 H new ATOM 0 HA ASP A 20 6.075 1.563 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.842 -0.960 6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.559 -1.085 6.581 1.00 0.00 H new ATOM 315 N LYS A 21 8.261 2.860 6.311 1.00 0.00 N ATOM 316 CA LYS A 21 9.548 3.550 6.386 1.00 0.00 C ATOM 317 C LYS A 21 10.167 3.344 7.761 1.00 0.00 C ATOM 318 O LYS A 21 11.344 2.997 7.875 1.00 0.00 O ATOM 319 CB LYS A 21 9.373 5.056 6.121 1.00 0.00 C ATOM 320 CG LYS A 21 8.396 5.304 4.963 1.00 0.00 C ATOM 321 CD LYS A 21 8.782 4.488 3.717 1.00 0.00 C ATOM 322 CE LYS A 21 10.185 4.886 3.242 1.00 0.00 C ATOM 323 NZ LYS A 21 10.395 4.388 1.856 1.00 0.00 N ATOM 0 H LYS A 21 7.469 3.453 6.062 1.00 0.00 H new ATOM 0 HA LYS A 21 10.206 3.134 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.005 5.547 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.340 5.502 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.386 5.039 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.385 6.365 4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.756 3.423 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.057 4.660 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.298 5.970 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.939 4.468 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.384 4.089 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.766 3.579 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.182 5.147 1.178 1.00 0.00 H new ATOM 337 N ASP A 22 9.382 3.572 8.808 1.00 0.00 N ATOM 338 CA ASP A 22 9.885 3.417 10.160 1.00 0.00 C ATOM 339 C ASP A 22 10.321 1.971 10.379 1.00 0.00 C ATOM 340 O ASP A 22 11.064 1.669 11.313 1.00 0.00 O ATOM 341 CB ASP A 22 8.775 3.773 11.151 1.00 0.00 C ATOM 342 CG ASP A 22 8.037 5.027 10.688 1.00 0.00 C ATOM 343 OD1 ASP A 22 8.687 5.936 10.200 1.00 0.00 O ATOM 344 OD2 ASP A 22 6.824 5.051 10.820 1.00 0.00 O ATOM 0 H ASP A 22 8.406 3.861 8.745 1.00 0.00 H new ATOM 0 HA ASP A 22 10.739 4.077 10.313 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.075 2.942 11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.200 3.937 12.141 1.00 0.00 H new ATOM 349 N GLY A 23 9.859 1.087 9.497 1.00 0.00 N ATOM 350 CA GLY A 23 10.216 -0.325 9.576 1.00 0.00 C ATOM 351 C GLY A 23 9.895 -0.914 10.946 1.00 0.00 C ATOM 352 O GLY A 23 10.679 -1.694 11.490 1.00 0.00 O ATOM 0 H GLY A 23 9.239 1.324 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.678 -0.880 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.280 -0.443 9.370 1.00 0.00 H new ATOM 356 N ASP A 24 8.742 -0.545 11.503 1.00 0.00 N ATOM 357 CA ASP A 24 8.345 -1.058 12.820 1.00 0.00 C ATOM 358 C ASP A 24 7.485 -2.312 12.684 1.00 0.00 C ATOM 359 O ASP A 24 7.118 -2.929 13.682 1.00 0.00 O ATOM 360 CB ASP A 24 7.580 0.018 13.598 1.00 0.00 C ATOM 361 CG ASP A 24 6.190 0.227 13.008 1.00 0.00 C ATOM 362 OD1 ASP A 24 5.916 -0.334 11.965 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.418 0.946 13.617 1.00 0.00 O ATOM 0 H ASP A 24 8.074 0.096 11.074 1.00 0.00 H new ATOM 0 HA ASP A 24 9.250 -1.321 13.367 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.496 -0.274 14.645 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.135 0.956 13.573 1.00 0.00 H new ATOM 368 N GLY A 25 7.171 -2.689 11.444 1.00 0.00 N ATOM 369 CA GLY A 25 6.355 -3.880 11.187 1.00 0.00 C ATOM 370 C GLY A 25 4.933 -3.496 10.794 1.00 0.00 C ATOM 371 O GLY A 25 4.074 -4.356 10.604 1.00 0.00 O ATOM 0 H GLY A 25 7.467 -2.191 10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.809 -4.471 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.333 -4.508 12.077 1.00 0.00 H new ATOM 375 N THR A 26 4.688 -2.192 10.680 1.00 0.00 N ATOM 376 CA THR A 26 3.369 -1.692 10.312 1.00 0.00 C ATOM 377 C THR A 26 3.505 -0.455 9.433 1.00 0.00 C ATOM 378 O THR A 26 4.576 0.145 9.364 1.00 0.00 O ATOM 379 CB THR A 26 2.582 -1.330 11.569 1.00 0.00 C ATOM 380 OG1 THR A 26 3.208 -0.223 12.214 1.00 0.00 O ATOM 381 CG2 THR A 26 2.526 -2.534 12.514 1.00 0.00 C ATOM 0 H THR A 26 5.386 -1.465 10.837 1.00 0.00 H new ATOM 0 HA THR A 26 2.841 -2.471 9.762 1.00 0.00 H new ATOM 0 HB THR A 26 1.563 -1.056 11.296 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.159 -0.201 11.977 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.963 -2.268 13.409 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.037 -3.368 12.012 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.539 -2.823 12.795 1.00 0.00 H new ATOM 389 N ILE A 27 2.409 -0.066 8.781 1.00 0.00 N ATOM 390 CA ILE A 27 2.407 1.120 7.925 1.00 0.00 C ATOM 391 C ILE A 27 1.572 2.204 8.582 1.00 0.00 C ATOM 392 O ILE A 27 0.462 1.940 9.035 1.00 0.00 O ATOM 393 CB ILE A 27 1.826 0.785 6.556 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.729 -0.221 5.846 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.731 2.057 5.717 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.007 -0.773 4.609 1.00 0.00 C ATOM 0 H ILE A 27 1.514 -0.553 8.829 1.00 0.00 H new ATOM 0 HA ILE A 27 3.431 1.469 7.793 1.00 0.00 H new ATOM 0 HB ILE A 27 0.833 0.355 6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.663 0.257 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.987 -1.035 6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.316 1.817 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.084 2.777 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.725 2.487 5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.651 -1.491 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.085 -1.266 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.771 0.046 3.929 1.00 0.00 H new ATOM 408 N THR A 28 2.113 3.423 8.643 1.00 0.00 N ATOM 409 CA THR A 28 1.408 4.547 9.268 1.00 0.00 C ATOM 410 C THR A 28 1.028 5.597 8.227 1.00 0.00 C ATOM 411 O THR A 28 1.545 5.597 7.109 1.00 0.00 O ATOM 412 CB THR A 28 2.305 5.176 10.341 1.00 0.00 C ATOM 413 OG1 THR A 28 2.634 4.194 11.315 1.00 0.00 O ATOM 414 CG2 THR A 28 1.568 6.338 11.010 1.00 0.00 C ATOM 0 H THR A 28 3.033 3.657 8.269 1.00 0.00 H new ATOM 0 HA THR A 28 0.492 4.175 9.726 1.00 0.00 H new ATOM 0 HB THR A 28 3.219 5.550 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.209 4.593 12.001 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.207 6.784 11.772 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.318 7.090 10.261 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.653 5.970 11.474 1.00 0.00 H new ATOM 422 N THR A 29 0.113 6.486 8.607 1.00 0.00 N ATOM 423 CA THR A 29 -0.349 7.537 7.711 1.00 0.00 C ATOM 424 C THR A 29 0.827 8.377 7.216 1.00 0.00 C ATOM 425 O THR A 29 0.894 8.745 6.044 1.00 0.00 O ATOM 426 CB THR A 29 -1.331 8.450 8.453 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.747 8.882 9.675 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.631 7.697 8.742 1.00 0.00 C ATOM 0 H THR A 29 -0.322 6.497 9.530 1.00 0.00 H new ATOM 0 HA THR A 29 -0.840 7.070 6.857 1.00 0.00 H new ATOM 0 HB THR A 29 -1.554 9.316 7.830 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.374 9.467 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.322 8.354 9.270 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.081 7.375 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.417 6.825 9.360 1.00 0.00 H new ATOM 436 N LYS A 30 1.740 8.679 8.129 1.00 0.00 N ATOM 437 CA LYS A 30 2.918 9.478 7.803 1.00 0.00 C ATOM 438 C LYS A 30 3.865 8.696 6.894 1.00 0.00 C ATOM 439 O LYS A 30 4.400 9.239 5.927 1.00 0.00 O ATOM 440 CB LYS A 30 3.636 9.886 9.089 1.00 0.00 C ATOM 441 CG LYS A 30 2.735 10.829 9.896 1.00 0.00 C ATOM 442 CD LYS A 30 3.430 11.208 11.206 1.00 0.00 C ATOM 443 CE LYS A 30 2.519 12.123 12.031 1.00 0.00 C ATOM 444 NZ LYS A 30 3.194 12.464 13.315 1.00 0.00 N ATOM 0 H LYS A 30 1.689 8.383 9.104 1.00 0.00 H new ATOM 0 HA LYS A 30 2.598 10.374 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.879 9.003 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.579 10.380 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.517 11.726 9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.781 10.346 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.669 10.309 11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.373 11.712 10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.295 13.032 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.568 11.627 12.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.578 13.085 13.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.386 11.592 13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.090 12.953 13.117 1.00 0.00 H new ATOM 458 N GLU A 31 4.063 7.415 7.208 1.00 0.00 N ATOM 459 CA GLU A 31 4.942 6.567 6.408 1.00 0.00 C ATOM 460 C GLU A 31 4.468 6.547 4.960 1.00 0.00 C ATOM 461 O GLU A 31 5.168 7.005 4.056 1.00 0.00 O ATOM 462 CB GLU A 31 4.945 5.139 6.976 1.00 0.00 C ATOM 463 CG GLU A 31 5.770 5.093 8.266 1.00 0.00 C ATOM 464 CD GLU A 31 5.736 3.688 8.865 1.00 0.00 C ATOM 465 OE1 GLU A 31 4.660 3.122 8.938 1.00 0.00 O ATOM 466 OE2 GLU A 31 6.788 3.199 9.239 1.00 0.00 O ATOM 0 H GLU A 31 3.630 6.947 8.004 1.00 0.00 H new ATOM 0 HA GLU A 31 5.955 6.969 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.923 4.815 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.361 4.448 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.800 5.383 8.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.376 5.812 8.984 1.00 0.00 H new ATOM 473 N LEU A 32 3.267 6.036 4.752 1.00 0.00 N ATOM 474 CA LEU A 32 2.696 5.988 3.417 1.00 0.00 C ATOM 475 C LEU A 32 2.511 7.398 2.857 1.00 0.00 C ATOM 476 O LEU A 32 2.824 7.654 1.693 1.00 0.00 O ATOM 477 CB LEU A 32 1.348 5.225 3.481 1.00 0.00 C ATOM 478 CG LEU A 32 0.289 5.781 2.474 1.00 0.00 C ATOM 479 CD1 LEU A 32 -0.555 4.638 1.904 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.626 6.797 3.196 1.00 0.00 C ATOM 0 H LEU A 32 2.671 5.651 5.485 1.00 0.00 H new ATOM 0 HA LEU A 32 3.373 5.463 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.523 4.170 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.948 5.287 4.493 1.00 0.00 H new ATOM 0 HG LEU A 32 0.807 6.276 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.288 5.041 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.093 3.932 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.072 4.127 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.364 7.185 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.136 6.303 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.024 7.620 3.580 1.00 0.00 H new ATOM 492 N GLY A 33 1.980 8.296 3.671 1.00 0.00 N ATOM 493 CA GLY A 33 1.726 9.647 3.218 1.00 0.00 C ATOM 494 C GLY A 33 2.974 10.251 2.603 1.00 0.00 C ATOM 495 O GLY A 33 2.916 10.876 1.541 1.00 0.00 O ATOM 0 H GLY A 33 1.720 8.113 4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.919 9.644 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.394 10.260 4.056 1.00 0.00 H new ATOM 499 N THR A 34 4.103 10.055 3.269 1.00 0.00 N ATOM 500 CA THR A 34 5.365 10.575 2.774 1.00 0.00 C ATOM 501 C THR A 34 5.694 9.951 1.422 1.00 0.00 C ATOM 502 O THR A 34 6.105 10.646 0.495 1.00 0.00 O ATOM 503 CB THR A 34 6.485 10.267 3.769 1.00 0.00 C ATOM 504 OG1 THR A 34 6.079 10.662 5.071 1.00 0.00 O ATOM 505 CG2 THR A 34 7.752 11.031 3.377 1.00 0.00 C ATOM 0 H THR A 34 4.169 9.542 4.148 1.00 0.00 H new ATOM 0 HA THR A 34 5.277 11.655 2.657 1.00 0.00 H new ATOM 0 HB THR A 34 6.693 9.197 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.655 9.904 5.525 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.546 10.808 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.065 10.728 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.548 12.102 3.385 1.00 0.00 H new ATOM 513 N VAL A 35 5.506 8.635 1.307 1.00 0.00 N ATOM 514 CA VAL A 35 5.782 7.937 0.059 1.00 0.00 C ATOM 515 C VAL A 35 4.895 8.460 -1.071 1.00 0.00 C ATOM 516 O VAL A 35 5.351 8.636 -2.192 1.00 0.00 O ATOM 517 CB VAL A 35 5.531 6.431 0.237 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.807 5.693 -1.080 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.454 5.883 1.327 1.00 0.00 C ATOM 0 H VAL A 35 5.166 8.038 2.061 1.00 0.00 H new ATOM 0 HA VAL A 35 6.825 8.114 -0.202 1.00 0.00 H new ATOM 0 HB VAL A 35 4.491 6.276 0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.627 4.627 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.146 6.077 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.844 5.851 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.275 4.815 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.493 6.046 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.253 6.397 2.267 1.00 0.00 H new ATOM 529 N MET A 36 3.636 8.732 -0.760 1.00 0.00 N ATOM 530 CA MET A 36 2.717 9.250 -1.777 1.00 0.00 C ATOM 531 C MET A 36 3.113 10.663 -2.231 1.00 0.00 C ATOM 532 O MET A 36 3.170 10.945 -3.429 1.00 0.00 O ATOM 533 CB MET A 36 1.292 9.258 -1.225 1.00 0.00 C ATOM 534 CG MET A 36 0.851 7.816 -0.943 1.00 0.00 C ATOM 535 SD MET A 36 0.744 6.880 -2.491 1.00 0.00 S ATOM 536 CE MET A 36 -1.026 7.109 -2.782 1.00 0.00 C ATOM 0 H MET A 36 3.228 8.608 0.167 1.00 0.00 H new ATOM 0 HA MET A 36 2.771 8.595 -2.647 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.247 9.850 -0.311 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.615 9.725 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 36 1.560 7.337 -0.268 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.117 7.815 -0.442 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.312 6.603 -3.704 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.589 6.689 -1.948 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.246 8.173 -2.869 1.00 0.00 H new ATOM 546 N ARG A 37 3.389 11.536 -1.268 1.00 0.00 N ATOM 547 CA ARG A 37 3.771 12.911 -1.587 1.00 0.00 C ATOM 548 C ARG A 37 5.157 12.946 -2.233 1.00 0.00 C ATOM 549 O ARG A 37 5.351 13.573 -3.274 1.00 0.00 O ATOM 550 CB ARG A 37 3.744 13.776 -0.329 1.00 0.00 C ATOM 551 CG ARG A 37 3.997 15.231 -0.732 1.00 0.00 C ATOM 552 CD ARG A 37 3.722 16.130 0.455 1.00 0.00 C ATOM 553 NE ARG A 37 4.062 17.510 0.119 1.00 0.00 N ATOM 554 CZ ARG A 37 3.730 18.531 0.911 1.00 0.00 C ATOM 555 NH1 ARG A 37 3.080 18.316 2.028 1.00 0.00 N ATOM 556 NH2 ARG A 37 4.054 19.751 0.565 1.00 0.00 N ATOM 0 H ARG A 37 3.357 11.322 -0.271 1.00 0.00 H new ATOM 0 HA ARG A 37 3.051 13.314 -2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.781 13.684 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.504 13.441 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.027 15.355 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.355 15.506 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.671 16.063 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.305 15.801 1.315 1.00 0.00 H new ATOM 0 HE ARG A 37 4.568 17.699 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.826 17.365 2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.828 19.100 2.630 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.558 19.917 -0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.803 20.535 1.167 1.00 0.00 H new ATOM 570 N SER A 38 6.121 12.284 -1.595 1.00 0.00 N ATOM 571 CA SER A 38 7.490 12.257 -2.100 1.00 0.00 C ATOM 572 C SER A 38 7.512 11.825 -3.560 1.00 0.00 C ATOM 573 O SER A 38 8.471 12.102 -4.280 1.00 0.00 O ATOM 574 CB SER A 38 8.334 11.285 -1.274 1.00 0.00 C ATOM 575 OG SER A 38 9.544 11.007 -1.965 1.00 0.00 O ATOM 0 H SER A 38 5.979 11.761 -0.731 1.00 0.00 H new ATOM 0 HA SER A 38 7.905 13.262 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.551 11.715 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.781 10.362 -1.101 1.00 0.00 H new ATOM 0 HG SER A 38 10.087 10.385 -1.437 1.00 0.00 H new ATOM 581 N LEU A 39 6.452 11.147 -3.993 1.00 0.00 N ATOM 582 CA LEU A 39 6.367 10.684 -5.377 1.00 0.00 C ATOM 583 C LEU A 39 5.873 11.790 -6.303 1.00 0.00 C ATOM 584 O LEU A 39 5.981 11.678 -7.522 1.00 0.00 O ATOM 585 CB LEU A 39 5.429 9.480 -5.449 1.00 0.00 C ATOM 586 CG LEU A 39 6.145 8.231 -4.896 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.110 7.144 -4.569 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.148 7.671 -5.932 1.00 0.00 C ATOM 0 H LEU A 39 5.648 10.908 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 39 7.365 10.396 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.524 9.677 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.121 9.308 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 39 6.686 8.518 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.619 6.263 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.411 7.520 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.565 6.877 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.642 6.790 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.615 7.397 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.895 8.431 -6.163 1.00 0.00 H new ATOM 600 N GLY A 40 5.357 12.869 -5.721 1.00 0.00 N ATOM 601 CA GLY A 40 4.877 14.007 -6.504 1.00 0.00 C ATOM 602 C GLY A 40 3.364 13.974 -6.684 1.00 0.00 C ATOM 603 O GLY A 40 2.825 14.642 -7.566 1.00 0.00 O ATOM 0 H GLY A 40 5.260 12.981 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.164 14.935 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.359 14.005 -7.482 1.00 0.00 H new ATOM 607 N GLN A 41 2.680 13.199 -5.851 1.00 0.00 N ATOM 608 CA GLN A 41 1.226 13.095 -5.942 1.00 0.00 C ATOM 609 C GLN A 41 0.548 14.264 -5.213 1.00 0.00 C ATOM 610 O GLN A 41 0.795 14.502 -4.031 1.00 0.00 O ATOM 611 CB GLN A 41 0.766 11.769 -5.340 1.00 0.00 C ATOM 612 CG GLN A 41 1.300 10.599 -6.178 1.00 0.00 C ATOM 613 CD GLN A 41 0.672 10.599 -7.572 1.00 0.00 C ATOM 614 OE1 GLN A 41 -0.549 10.509 -7.704 1.00 0.00 O ATOM 615 NE2 GLN A 41 1.445 10.695 -8.626 1.00 0.00 N ATOM 0 H GLN A 41 3.102 12.638 -5.111 1.00 0.00 H new ATOM 0 HA GLN A 41 0.941 13.135 -6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.121 11.684 -4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.323 11.735 -5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.384 10.671 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.082 9.657 -5.676 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.456 10.769 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.036 10.695 -9.560 1.00 0.00 H new ATOM 624 N ASN A 42 -0.296 14.993 -5.945 1.00 0.00 N ATOM 625 CA ASN A 42 -1.003 16.152 -5.393 1.00 0.00 C ATOM 626 C ASN A 42 -1.524 15.865 -3.978 1.00 0.00 C ATOM 627 O ASN A 42 -1.756 14.712 -3.621 1.00 0.00 O ATOM 628 CB ASN A 42 -2.181 16.516 -6.318 1.00 0.00 C ATOM 629 CG ASN A 42 -1.705 17.426 -7.449 1.00 0.00 C ATOM 630 OD1 ASN A 42 -1.914 18.638 -7.404 1.00 0.00 O ATOM 631 ND2 ASN A 42 -1.069 16.905 -8.465 1.00 0.00 N ATOM 0 H ASN A 42 -0.508 14.801 -6.924 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.304 16.986 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.621 15.609 -6.733 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.962 17.015 -5.744 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.744 17.503 -9.224 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.898 15.900 -8.499 1.00 0.00 H new ATOM 638 N PRO A 43 -1.722 16.892 -3.173 1.00 0.00 N ATOM 639 CA PRO A 43 -2.239 16.725 -1.786 1.00 0.00 C ATOM 640 C PRO A 43 -3.335 15.664 -1.718 1.00 0.00 C ATOM 641 O PRO A 43 -4.497 15.940 -2.019 1.00 0.00 O ATOM 642 CB PRO A 43 -2.784 18.118 -1.433 1.00 0.00 C ATOM 643 CG PRO A 43 -1.988 19.086 -2.265 1.00 0.00 C ATOM 644 CD PRO A 43 -1.474 18.312 -3.489 1.00 0.00 C ATOM 0 HA PRO A 43 -1.472 16.383 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.848 18.191 -1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.667 18.327 -0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.607 19.928 -2.574 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.157 19.495 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.999 18.612 -4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.414 18.500 -3.658 1.00 0.00 H new ATOM 652 N THR A 44 -2.956 14.453 -1.314 1.00 0.00 N ATOM 653 CA THR A 44 -3.906 13.347 -1.204 1.00 0.00 C ATOM 654 C THR A 44 -3.691 12.589 0.103 1.00 0.00 C ATOM 655 O THR A 44 -4.413 11.640 0.412 1.00 0.00 O ATOM 656 CB THR A 44 -3.743 12.403 -2.396 1.00 0.00 C ATOM 657 OG1 THR A 44 -4.698 11.355 -2.304 1.00 0.00 O ATOM 658 CG2 THR A 44 -2.331 11.813 -2.410 1.00 0.00 C ATOM 0 H THR A 44 -1.999 14.213 -1.058 1.00 0.00 H new ATOM 0 HA THR A 44 -4.919 13.751 -1.206 1.00 0.00 H new ATOM 0 HB THR A 44 -3.902 12.962 -3.318 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.777 11.066 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.225 11.142 -3.263 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.601 12.618 -2.489 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.160 11.257 -1.488 1.00 0.00 H new ATOM 666 N GLU A 45 -2.702 13.029 0.876 1.00 0.00 N ATOM 667 CA GLU A 45 -2.402 12.399 2.156 1.00 0.00 C ATOM 668 C GLU A 45 -3.656 12.344 3.030 1.00 0.00 C ATOM 669 O GLU A 45 -3.741 11.550 3.968 1.00 0.00 O ATOM 670 CB GLU A 45 -1.293 13.186 2.871 1.00 0.00 C ATOM 671 CG GLU A 45 -1.779 14.602 3.186 1.00 0.00 C ATOM 672 CD GLU A 45 -0.657 15.411 3.834 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.467 15.311 3.366 1.00 0.00 O ATOM 674 OE2 GLU A 45 -0.933 16.110 4.794 1.00 0.00 O ATOM 0 H GLU A 45 -2.098 13.816 0.639 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.061 11.379 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.009 12.676 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.403 13.229 2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.110 15.093 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.639 14.559 3.854 1.00 0.00 H new ATOM 681 N ALA A 46 -4.634 13.179 2.694 1.00 0.00 N ATOM 682 CA ALA A 46 -5.890 13.208 3.435 1.00 0.00 C ATOM 683 C ALA A 46 -6.775 12.039 3.015 1.00 0.00 C ATOM 684 O ALA A 46 -7.430 11.406 3.845 1.00 0.00 O ATOM 685 CB ALA A 46 -6.614 14.531 3.178 1.00 0.00 C ATOM 0 H ALA A 46 -4.582 13.840 1.919 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.675 13.120 4.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.551 14.547 3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.985 15.359 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.822 14.631 2.113 1.00 0.00 H new ATOM 691 N GLU A 47 -6.783 11.762 1.715 1.00 0.00 N ATOM 692 CA GLU A 47 -7.580 10.668 1.171 1.00 0.00 C ATOM 693 C GLU A 47 -7.169 9.360 1.833 1.00 0.00 C ATOM 694 O GLU A 47 -8.015 8.582 2.276 1.00 0.00 O ATOM 695 CB GLU A 47 -7.353 10.585 -0.350 1.00 0.00 C ATOM 696 CG GLU A 47 -8.529 9.884 -1.040 1.00 0.00 C ATOM 697 CD GLU A 47 -8.620 8.433 -0.589 1.00 0.00 C ATOM 698 OE1 GLU A 47 -7.581 7.826 -0.395 1.00 0.00 O ATOM 699 OE2 GLU A 47 -9.730 7.950 -0.451 1.00 0.00 O ATOM 0 H GLU A 47 -6.247 12.280 1.019 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.637 10.847 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.231 11.588 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.430 10.043 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.458 10.403 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.403 9.928 -2.122 1.00 0.00 H new ATOM 706 N LEU A 48 -5.860 9.130 1.901 1.00 0.00 N ATOM 707 CA LEU A 48 -5.344 7.917 2.517 1.00 0.00 C ATOM 708 C LEU A 48 -5.686 7.894 4.006 1.00 0.00 C ATOM 709 O LEU A 48 -6.228 6.914 4.514 1.00 0.00 O ATOM 710 CB LEU A 48 -3.824 7.857 2.330 1.00 0.00 C ATOM 711 CG LEU A 48 -3.474 7.354 0.913 1.00 0.00 C ATOM 712 CD1 LEU A 48 -3.895 5.879 0.729 1.00 0.00 C ATOM 713 CD2 LEU A 48 -4.189 8.237 -0.123 1.00 0.00 C ATOM 0 H LEU A 48 -5.146 9.763 1.540 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.803 7.051 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.393 8.845 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.386 7.195 3.076 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.395 7.415 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.637 5.550 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.374 5.258 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.971 5.787 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.947 7.888 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.266 8.179 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.861 9.270 -0.009 1.00 0.00 H new ATOM 725 N GLN A 49 -5.357 8.981 4.697 1.00 0.00 N ATOM 726 CA GLN A 49 -5.623 9.071 6.127 1.00 0.00 C ATOM 727 C GLN A 49 -7.044 8.614 6.434 1.00 0.00 C ATOM 728 O GLN A 49 -7.282 7.894 7.406 1.00 0.00 O ATOM 729 CB GLN A 49 -5.429 10.523 6.591 1.00 0.00 C ATOM 730 CG GLN A 49 -3.944 10.812 6.816 1.00 0.00 C ATOM 731 CD GLN A 49 -3.721 12.313 6.970 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.566 13.112 6.563 1.00 0.00 O ATOM 733 NE2 GLN A 49 -2.625 12.746 7.536 1.00 0.00 N ATOM 0 H GLN A 49 -4.910 9.804 4.294 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.928 8.421 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.831 11.208 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.984 10.695 7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.595 10.291 7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.360 10.434 5.977 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.928 12.082 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.467 13.748 7.642 1.00 0.00 H new ATOM 742 N ASP A 50 -7.981 9.032 5.598 1.00 0.00 N ATOM 743 CA ASP A 50 -9.375 8.661 5.781 1.00 0.00 C ATOM 744 C ASP A 50 -9.576 7.168 5.520 1.00 0.00 C ATOM 745 O ASP A 50 -10.346 6.509 6.217 1.00 0.00 O ATOM 746 CB ASP A 50 -10.253 9.480 4.836 1.00 0.00 C ATOM 747 CG ASP A 50 -11.723 9.356 5.232 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.055 8.405 5.922 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.495 10.215 4.842 1.00 0.00 O ATOM 0 H ASP A 50 -7.803 9.626 4.789 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.660 8.870 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.950 10.527 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.116 9.135 3.811 1.00 0.00 H new ATOM 754 N MET A 51 -8.881 6.642 4.510 1.00 0.00 N ATOM 755 CA MET A 51 -9.001 5.227 4.172 1.00 0.00 C ATOM 756 C MET A 51 -8.497 4.354 5.313 1.00 0.00 C ATOM 757 O MET A 51 -9.174 3.412 5.716 1.00 0.00 O ATOM 758 CB MET A 51 -8.194 4.927 2.900 1.00 0.00 C ATOM 759 CG MET A 51 -8.991 5.360 1.667 1.00 0.00 C ATOM 760 SD MET A 51 -10.383 4.227 1.430 1.00 0.00 S ATOM 761 CE MET A 51 -11.506 5.403 0.638 1.00 0.00 C ATOM 0 H MET A 51 -8.237 7.169 3.920 1.00 0.00 H new ATOM 0 HA MET A 51 -10.054 5.002 4.001 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.240 5.453 2.931 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.969 3.862 2.844 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.354 6.380 1.794 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.350 5.357 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.453 4.910 0.417 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.683 6.245 1.308 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.060 5.764 -0.289 1.00 0.00 H new ATOM 771 N ILE A 52 -7.318 4.680 5.839 1.00 0.00 N ATOM 772 CA ILE A 52 -6.749 3.908 6.935 1.00 0.00 C ATOM 773 C ILE A 52 -7.661 3.992 8.155 1.00 0.00 C ATOM 774 O ILE A 52 -7.910 2.991 8.827 1.00 0.00 O ATOM 775 CB ILE A 52 -5.339 4.428 7.278 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.388 4.113 6.107 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.823 3.754 8.563 1.00 0.00 C ATOM 778 CD1 ILE A 52 -2.939 4.520 6.442 1.00 0.00 C ATOM 0 H ILE A 52 -6.746 5.465 5.527 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.666 2.865 6.630 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.380 5.505 7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.426 3.048 5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.720 4.641 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.826 4.129 8.796 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.498 3.980 9.389 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.779 2.675 8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.291 4.286 5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.899 5.590 6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.601 3.972 7.322 1.00 0.00 H new ATOM 790 N ASN A 53 -8.156 5.190 8.426 1.00 0.00 N ATOM 791 CA ASN A 53 -9.042 5.407 9.563 1.00 0.00 C ATOM 792 C ASN A 53 -10.208 4.421 9.539 1.00 0.00 C ATOM 793 O ASN A 53 -10.884 4.227 10.550 1.00 0.00 O ATOM 794 CB ASN A 53 -9.576 6.840 9.527 1.00 0.00 C ATOM 795 CG ASN A 53 -10.500 7.093 10.715 1.00 0.00 C ATOM 796 OD1 ASN A 53 -10.256 6.587 11.811 1.00 0.00 O ATOM 797 ND2 ASN A 53 -11.553 7.853 10.558 1.00 0.00 N ATOM 0 H ASN A 53 -7.961 6.027 7.876 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.476 5.248 10.481 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.745 7.545 9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.116 7.011 8.595 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.177 8.029 11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.750 8.270 9.648 1.00 0.00 H new ATOM 804 N GLU A 54 -10.450 3.808 8.377 1.00 0.00 N ATOM 805 CA GLU A 54 -11.550 2.845 8.231 1.00 0.00 C ATOM 806 C GLU A 54 -11.042 1.404 8.318 1.00 0.00 C ATOM 807 O GLU A 54 -11.489 0.635 9.170 1.00 0.00 O ATOM 808 CB GLU A 54 -12.255 3.061 6.885 1.00 0.00 C ATOM 809 CG GLU A 54 -13.457 2.118 6.777 1.00 0.00 C ATOM 810 CD GLU A 54 -14.214 2.375 5.477 1.00 0.00 C ATOM 811 OE1 GLU A 54 -13.692 3.090 4.637 1.00 0.00 O ATOM 812 OE2 GLU A 54 -15.307 1.851 5.342 1.00 0.00 O ATOM 0 H GLU A 54 -9.905 3.958 7.528 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.253 3.010 9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.583 4.097 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.560 2.876 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.120 1.082 6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.121 2.265 7.628 1.00 0.00 H new ATOM 819 N VAL A 55 -10.126 1.035 7.425 1.00 0.00 N ATOM 820 CA VAL A 55 -9.594 -0.328 7.404 1.00 0.00 C ATOM 821 C VAL A 55 -8.634 -0.589 8.567 1.00 0.00 C ATOM 822 O VAL A 55 -7.701 -1.381 8.436 1.00 0.00 O ATOM 823 CB VAL A 55 -8.871 -0.589 6.074 1.00 0.00 C ATOM 824 CG1 VAL A 55 -9.866 -0.467 4.920 1.00 0.00 C ATOM 825 CG2 VAL A 55 -7.741 0.433 5.874 1.00 0.00 C ATOM 0 H VAL A 55 -9.739 1.653 6.712 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.439 -1.008 7.509 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.447 -1.593 6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.353 -0.652 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.664 -1.198 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.291 0.537 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.236 0.237 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.159 1.440 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.025 0.348 6.691 1.00 0.00 H new ATOM 835 N ASP A 56 -8.856 0.073 9.702 1.00 0.00 N ATOM 836 CA ASP A 56 -7.982 -0.114 10.864 1.00 0.00 C ATOM 837 C ASP A 56 -8.497 -1.261 11.735 1.00 0.00 C ATOM 838 O ASP A 56 -9.586 -1.181 12.303 1.00 0.00 O ATOM 839 CB ASP A 56 -7.923 1.183 11.679 1.00 0.00 C ATOM 840 CG ASP A 56 -6.678 1.200 12.552 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.027 0.176 12.646 1.00 0.00 O ATOM 842 OD2 ASP A 56 -6.400 2.240 13.116 1.00 0.00 O ATOM 0 H ASP A 56 -9.620 0.734 9.843 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.979 -0.365 10.518 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.917 2.042 11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.813 1.270 12.301 1.00 0.00 H new ATOM 847 N ALA A 57 -7.711 -2.336 11.807 1.00 0.00 N ATOM 848 CA ALA A 57 -8.095 -3.517 12.577 1.00 0.00 C ATOM 849 C ALA A 57 -8.333 -3.204 14.055 1.00 0.00 C ATOM 850 O ALA A 57 -9.460 -3.304 14.536 1.00 0.00 O ATOM 851 CB ALA A 57 -7.004 -4.579 12.455 1.00 0.00 C ATOM 0 H ALA A 57 -6.806 -2.412 11.342 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.036 -3.881 12.165 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.289 -5.461 13.029 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.878 -4.853 11.407 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.065 -4.182 12.841 1.00 0.00 H new ATOM 857 N ASP A 58 -7.271 -2.849 14.779 1.00 0.00 N ATOM 858 CA ASP A 58 -7.388 -2.550 16.210 1.00 0.00 C ATOM 859 C ASP A 58 -7.634 -1.061 16.454 1.00 0.00 C ATOM 860 O ASP A 58 -7.808 -0.637 17.598 1.00 0.00 O ATOM 861 CB ASP A 58 -6.103 -2.972 16.915 1.00 0.00 C ATOM 862 CG ASP A 58 -6.311 -2.976 18.430 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.454 -2.924 18.851 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.326 -3.029 19.148 1.00 0.00 O ATOM 0 H ASP A 58 -6.327 -2.761 14.404 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.240 -3.102 16.606 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.804 -3.965 16.579 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.294 -2.290 16.653 1.00 0.00 H new ATOM 869 N GLY A 59 -7.632 -0.268 15.390 1.00 0.00 N ATOM 870 CA GLY A 59 -7.841 1.173 15.531 1.00 0.00 C ATOM 871 C GLY A 59 -6.543 1.849 15.970 1.00 0.00 C ATOM 872 O GLY A 59 -6.549 2.977 16.466 1.00 0.00 O ATOM 0 H GLY A 59 -7.491 -0.589 14.432 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.178 1.594 14.584 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.626 1.365 16.262 1.00 0.00 H new ATOM 876 N ASN A 60 -5.436 1.130 15.794 1.00 0.00 N ATOM 877 CA ASN A 60 -4.118 1.619 16.179 1.00 0.00 C ATOM 878 C ASN A 60 -3.665 2.725 15.241 1.00 0.00 C ATOM 879 O ASN A 60 -2.794 3.526 15.579 1.00 0.00 O ATOM 880 CB ASN A 60 -3.121 0.448 16.144 1.00 0.00 C ATOM 881 CG ASN A 60 -1.940 0.714 17.075 1.00 0.00 C ATOM 882 OD1 ASN A 60 -0.816 0.905 16.610 1.00 0.00 O ATOM 883 ND2 ASN A 60 -2.129 0.731 18.370 1.00 0.00 N ATOM 0 H ASN A 60 -5.429 0.197 15.382 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.165 2.030 17.187 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.624 -0.473 16.441 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.761 0.301 15.126 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.344 0.903 18.998 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.062 0.572 18.751 1.00 0.00 H new ATOM 890 N GLY A 61 -4.263 2.754 14.059 1.00 0.00 N ATOM 891 CA GLY A 61 -3.925 3.753 13.058 1.00 0.00 C ATOM 892 C GLY A 61 -2.825 3.246 12.134 1.00 0.00 C ATOM 893 O GLY A 61 -2.140 4.029 11.478 1.00 0.00 O ATOM 0 H GLY A 61 -4.986 2.095 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.811 4.002 12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.599 4.670 13.549 1.00 0.00 H new ATOM 897 N THR A 62 -2.663 1.920 12.081 1.00 0.00 N ATOM 898 CA THR A 62 -1.643 1.313 11.231 1.00 0.00 C ATOM 899 C THR A 62 -2.194 0.083 10.518 1.00 0.00 C ATOM 900 O THR A 62 -3.200 -0.489 10.937 1.00 0.00 O ATOM 901 CB THR A 62 -0.436 0.919 12.075 1.00 0.00 C ATOM 902 OG1 THR A 62 -0.659 -0.358 12.660 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.222 1.951 13.178 1.00 0.00 C ATOM 0 H THR A 62 -3.222 1.254 12.614 1.00 0.00 H new ATOM 0 HA THR A 62 -1.341 2.043 10.480 1.00 0.00 H new ATOM 0 HB THR A 62 0.449 0.879 11.439 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.118 -0.610 13.201 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.641 1.667 13.780 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.047 2.930 12.731 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.108 1.995 13.812 1.00 0.00 H new ATOM 911 N ILE A 63 -1.519 -0.323 9.438 1.00 0.00 N ATOM 912 CA ILE A 63 -1.938 -1.499 8.663 1.00 0.00 C ATOM 913 C ILE A 63 -0.941 -2.637 8.845 1.00 0.00 C ATOM 914 O ILE A 63 0.268 -2.447 8.696 1.00 0.00 O ATOM 915 CB ILE A 63 -2.024 -1.149 7.178 1.00 0.00 C ATOM 916 CG1 ILE A 63 -2.873 0.113 6.989 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.663 -2.313 6.417 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.220 -0.036 7.697 1.00 0.00 C ATOM 0 H ILE A 63 -0.684 0.141 9.081 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.918 -1.812 9.023 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.021 -0.967 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.341 0.978 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.032 0.295 5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.725 -2.065 5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.055 -3.209 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.665 -2.496 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.809 0.869 7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.757 -0.889 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.055 -0.195 8.763 1.00 0.00 H new ATOM 930 N ASP A 64 -1.458 -3.817 9.187 1.00 0.00 N ATOM 931 CA ASP A 64 -0.615 -4.992 9.410 1.00 0.00 C ATOM 932 C ASP A 64 -0.442 -5.806 8.127 1.00 0.00 C ATOM 933 O ASP A 64 -0.948 -5.437 7.070 1.00 0.00 O ATOM 934 CB ASP A 64 -1.227 -5.861 10.516 1.00 0.00 C ATOM 935 CG ASP A 64 -2.741 -5.890 10.374 1.00 0.00 C ATOM 936 OD1 ASP A 64 -3.348 -4.851 10.548 1.00 0.00 O ATOM 937 OD2 ASP A 64 -3.269 -6.948 10.098 1.00 0.00 O ATOM 0 H ASP A 64 -2.456 -3.985 9.316 1.00 0.00 H new ATOM 0 HA ASP A 64 0.373 -4.653 9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.828 -6.874 10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.952 -5.466 11.494 1.00 0.00 H new ATOM 942 N PHE A 65 0.298 -6.902 8.242 1.00 0.00 N ATOM 943 CA PHE A 65 0.577 -7.780 7.108 1.00 0.00 C ATOM 944 C PHE A 65 -0.703 -8.169 6.333 1.00 0.00 C ATOM 945 O PHE A 65 -0.868 -7.790 5.167 1.00 0.00 O ATOM 946 CB PHE A 65 1.298 -9.055 7.625 1.00 0.00 C ATOM 947 CG PHE A 65 2.796 -8.940 7.492 1.00 0.00 C ATOM 948 CD1 PHE A 65 3.449 -7.821 8.005 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.526 -9.961 6.872 1.00 0.00 C ATOM 950 CE1 PHE A 65 4.835 -7.718 7.896 1.00 0.00 C ATOM 951 CE2 PHE A 65 4.909 -9.860 6.760 1.00 0.00 C ATOM 952 CZ PHE A 65 5.566 -8.736 7.272 1.00 0.00 C ATOM 0 H PHE A 65 0.721 -7.208 9.119 1.00 0.00 H new ATOM 0 HA PHE A 65 1.215 -7.238 6.409 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.037 -9.222 8.670 1.00 0.00 H new ATOM 0 HB3 PHE A 65 0.948 -9.923 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.883 -7.036 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.015 -10.828 6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.345 -6.853 8.293 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.473 -10.646 6.280 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.639 -8.653 7.186 1.00 0.00 H new ATOM 962 N PRO A 66 -1.579 -8.950 6.932 1.00 0.00 N ATOM 963 CA PRO A 66 -2.821 -9.435 6.249 1.00 0.00 C ATOM 964 C PRO A 66 -3.727 -8.305 5.766 1.00 0.00 C ATOM 965 O PRO A 66 -4.188 -8.311 4.628 1.00 0.00 O ATOM 966 CB PRO A 66 -3.522 -10.292 7.327 1.00 0.00 C ATOM 967 CG PRO A 66 -2.929 -9.856 8.632 1.00 0.00 C ATOM 968 CD PRO A 66 -1.499 -9.450 8.317 1.00 0.00 C ATOM 0 HA PRO A 66 -2.584 -9.988 5.340 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.600 -10.134 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.353 -11.355 7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.488 -9.023 9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.955 -10.664 9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.140 -8.681 9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.815 -10.294 8.400 1.00 0.00 H new ATOM 976 N GLU A 67 -3.979 -7.353 6.644 1.00 0.00 N ATOM 977 CA GLU A 67 -4.841 -6.234 6.311 1.00 0.00 C ATOM 978 C GLU A 67 -4.411 -5.588 5.012 1.00 0.00 C ATOM 979 O GLU A 67 -5.237 -5.354 4.134 1.00 0.00 O ATOM 980 CB GLU A 67 -4.807 -5.199 7.436 1.00 0.00 C ATOM 981 CG GLU A 67 -5.582 -5.724 8.644 1.00 0.00 C ATOM 982 CD GLU A 67 -7.072 -5.765 8.326 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.482 -5.051 7.424 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.780 -6.506 8.982 1.00 0.00 O ATOM 0 H GLU A 67 -3.600 -7.331 7.591 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.857 -6.610 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.775 -4.988 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.242 -4.260 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.230 -6.721 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.403 -5.084 9.508 1.00 0.00 H new ATOM 991 N PHE A 68 -3.120 -5.309 4.891 1.00 0.00 N ATOM 992 CA PHE A 68 -2.611 -4.694 3.685 1.00 0.00 C ATOM 993 C PHE A 68 -2.914 -5.578 2.490 1.00 0.00 C ATOM 994 O PHE A 68 -3.448 -5.132 1.468 1.00 0.00 O ATOM 995 CB PHE A 68 -1.098 -4.507 3.804 1.00 0.00 C ATOM 996 CG PHE A 68 -0.560 -3.917 2.525 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.350 -4.742 1.414 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.276 -2.548 2.447 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.145 -4.202 0.227 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.219 -2.006 1.254 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.428 -2.837 0.144 1.00 0.00 C ATOM 0 H PHE A 68 -2.418 -5.498 5.607 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.090 -3.724 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.867 -3.852 4.644 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.618 -5.465 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.571 -5.797 1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.438 -1.912 3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.310 -4.840 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.439 -0.951 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.809 -2.421 -0.777 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.573 -6.848 2.617 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.811 -7.760 1.524 1.00 0.00 C ATOM 1013 C LEU A 69 -4.293 -7.800 1.177 1.00 0.00 C ATOM 1014 O LEU A 69 -4.677 -7.575 0.037 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.315 -9.171 1.913 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.670 -10.230 0.838 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.173 -10.636 0.889 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -2.300 -9.695 -0.559 1.00 0.00 C ATOM 0 H LEU A 69 -2.142 -7.259 3.445 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.264 -7.415 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.235 -9.148 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.757 -9.460 2.866 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.091 -11.129 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.375 -11.380 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.403 -11.056 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.793 -9.757 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.551 -10.442 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.856 -8.779 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.231 -9.486 -0.597 1.00 0.00 H new ATOM 1030 N THR A 70 -5.127 -8.114 2.152 1.00 0.00 N ATOM 1031 CA THR A 70 -6.560 -8.226 1.904 1.00 0.00 C ATOM 1032 C THR A 70 -7.125 -6.955 1.292 1.00 0.00 C ATOM 1033 O THR A 70 -7.599 -6.960 0.159 1.00 0.00 O ATOM 1034 CB THR A 70 -7.275 -8.523 3.220 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.614 -9.591 3.887 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.733 -8.912 2.959 1.00 0.00 C ATOM 0 H THR A 70 -4.844 -8.295 3.115 1.00 0.00 H new ATOM 0 HA THR A 70 -6.721 -9.037 1.194 1.00 0.00 H new ATOM 0 HB THR A 70 -7.254 -7.628 3.842 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.815 -9.249 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.229 -9.121 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.244 -8.092 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.765 -9.801 2.329 1.00 0.00 H new ATOM 1044 N MET A 71 -7.080 -5.872 2.046 1.00 0.00 N ATOM 1045 CA MET A 71 -7.608 -4.603 1.561 1.00 0.00 C ATOM 1046 C MET A 71 -7.215 -4.343 0.112 1.00 0.00 C ATOM 1047 O MET A 71 -7.906 -3.609 -0.591 1.00 0.00 O ATOM 1048 CB MET A 71 -7.135 -3.446 2.456 1.00 0.00 C ATOM 1049 CG MET A 71 -5.689 -3.018 2.121 1.00 0.00 C ATOM 1050 SD MET A 71 -5.322 -1.445 2.938 1.00 0.00 S ATOM 1051 CE MET A 71 -5.428 -2.031 4.637 1.00 0.00 C ATOM 0 H MET A 71 -6.688 -5.841 2.987 1.00 0.00 H new ATOM 0 HA MET A 71 -8.695 -4.665 1.603 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.804 -2.594 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.192 -3.748 3.502 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.986 -3.784 2.450 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.569 -2.917 1.042 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.028 -1.272 5.309 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.470 -2.227 4.890 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.851 -2.950 4.742 1.00 0.00 H new ATOM 1061 N MET A 72 -6.109 -4.942 -0.343 1.00 0.00 N ATOM 1062 CA MET A 72 -5.675 -4.740 -1.727 1.00 0.00 C ATOM 1063 C MET A 72 -6.416 -5.695 -2.676 1.00 0.00 C ATOM 1064 O MET A 72 -6.606 -5.402 -3.856 1.00 0.00 O ATOM 1065 CB MET A 72 -4.144 -4.936 -1.816 1.00 0.00 C ATOM 1066 CG MET A 72 -3.766 -6.268 -2.480 1.00 0.00 C ATOM 1067 SD MET A 72 -3.930 -6.107 -4.273 1.00 0.00 S ATOM 1068 CE MET A 72 -2.261 -5.494 -4.591 1.00 0.00 C ATOM 0 H MET A 72 -5.512 -5.555 0.212 1.00 0.00 H new ATOM 0 HA MET A 72 -5.918 -3.724 -2.037 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.707 -4.113 -2.382 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.716 -4.897 -0.814 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.743 -6.540 -2.220 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.412 -7.066 -2.114 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.134 -5.321 -5.660 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.108 -4.559 -4.051 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.532 -6.231 -4.254 1.00 0.00 H new ATOM 1078 N ALA A 73 -6.805 -6.851 -2.141 1.00 0.00 N ATOM 1079 CA ALA A 73 -7.497 -7.875 -2.924 1.00 0.00 C ATOM 1080 C ALA A 73 -9.006 -7.799 -2.739 1.00 0.00 C ATOM 1081 O ALA A 73 -9.727 -8.740 -3.080 1.00 0.00 O ATOM 1082 CB ALA A 73 -7.011 -9.260 -2.492 1.00 0.00 C ATOM 0 H ALA A 73 -6.652 -7.103 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.272 -7.701 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.526 -10.024 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.937 -9.338 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.224 -9.406 -1.433 1.00 0.00 H new ATOM 1088 N ARG A 74 -9.483 -6.683 -2.194 1.00 0.00 N ATOM 1089 CA ARG A 74 -10.915 -6.498 -1.961 1.00 0.00 C ATOM 1090 C ARG A 74 -11.515 -5.588 -3.025 1.00 0.00 C ATOM 1091 O ARG A 74 -12.730 -5.393 -3.070 1.00 0.00 O ATOM 1092 CB ARG A 74 -11.124 -5.909 -0.563 1.00 0.00 C ATOM 1093 CG ARG A 74 -10.664 -6.924 0.509 1.00 0.00 C ATOM 1094 CD ARG A 74 -11.801 -7.878 0.869 1.00 0.00 C ATOM 1095 NE ARG A 74 -12.861 -7.152 1.547 1.00 0.00 N ATOM 1096 CZ ARG A 74 -13.999 -7.754 1.886 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -14.184 -9.018 1.594 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -14.935 -7.083 2.504 1.00 0.00 N ATOM 0 H ARG A 74 -8.903 -5.895 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.420 -7.462 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.562 -4.980 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -12.176 -5.663 -0.416 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.810 -7.491 0.138 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.331 -6.393 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.191 -8.349 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.428 -8.677 1.510 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.731 -6.165 1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.456 -9.541 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.056 -9.479 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.794 -6.098 2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.807 -7.545 2.764 1.00 0.00 H new ATOM 1112 N LYS A 75 -10.653 -5.040 -3.880 1.00 0.00 N ATOM 1113 CA LYS A 75 -11.093 -4.155 -4.958 1.00 0.00 C ATOM 1114 C LYS A 75 -11.841 -2.950 -4.400 1.00 0.00 C ATOM 1115 O LYS A 75 -12.771 -2.437 -5.024 1.00 0.00 O ATOM 1116 CB LYS A 75 -11.987 -4.925 -5.940 1.00 0.00 C ATOM 1117 CG LYS A 75 -11.146 -5.974 -6.673 1.00 0.00 C ATOM 1118 CD LYS A 75 -12.031 -6.756 -7.647 1.00 0.00 C ATOM 1119 CE LYS A 75 -11.198 -7.840 -8.338 1.00 0.00 C ATOM 1120 NZ LYS A 75 -10.187 -7.201 -9.225 1.00 0.00 N ATOM 0 H LYS A 75 -9.645 -5.193 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.211 -3.794 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.805 -5.407 -5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.437 -4.237 -6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.333 -5.489 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.689 -6.655 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.866 -7.210 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.457 -6.081 -8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.702 -8.462 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.846 -8.495 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.811 -7.908 -9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.633 -6.428 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.410 -6.820 -8.648 1.00 0.00 H new ATOM 1134 N MET A 76 -11.418 -2.502 -3.217 1.00 0.00 N ATOM 1135 CA MET A 76 -12.040 -1.351 -2.562 1.00 0.00 C ATOM 1136 C MET A 76 -12.389 -0.271 -3.586 1.00 0.00 C ATOM 1137 O MET A 76 -11.509 0.331 -4.193 1.00 0.00 O ATOM 1138 CB MET A 76 -11.095 -0.775 -1.505 1.00 0.00 C ATOM 1139 CG MET A 76 -10.838 -1.820 -0.411 1.00 0.00 C ATOM 1140 SD MET A 76 -12.385 -2.254 0.432 1.00 0.00 S ATOM 1141 CE MET A 76 -12.665 -0.669 1.260 1.00 0.00 C ATOM 0 H MET A 76 -10.648 -2.918 -2.693 1.00 0.00 H new ATOM 0 HA MET A 76 -12.959 -1.685 -2.080 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.153 -0.481 -1.968 1.00 0.00 H new ATOM 0 HB3 MET A 76 -11.529 0.124 -1.067 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.394 -2.713 -0.851 1.00 0.00 H new ATOM 0 HG3 MET A 76 -10.121 -1.430 0.311 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.277 -0.826 2.149 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.708 -0.236 1.550 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.180 0.011 0.581 1.00 0.00 H new ATOM 1151 N LYS A 77 -13.690 -0.052 -3.764 1.00 0.00 N ATOM 1152 CA LYS A 77 -14.179 0.943 -4.719 1.00 0.00 C ATOM 1153 C LYS A 77 -15.674 1.161 -4.508 1.00 0.00 C ATOM 1154 O LYS A 77 -16.396 0.180 -4.489 1.00 0.00 O ATOM 1155 CB LYS A 77 -13.913 0.462 -6.158 1.00 0.00 C ATOM 1156 CG LYS A 77 -14.369 1.530 -7.160 1.00 0.00 C ATOM 1157 CD LYS A 77 -13.998 1.093 -8.585 1.00 0.00 C ATOM 1158 CE LYS A 77 -14.427 2.170 -9.590 1.00 0.00 C ATOM 1159 NZ LYS A 77 -15.912 2.269 -9.620 1.00 0.00 N ATOM 1160 OXT LYS A 77 -16.073 2.305 -4.366 1.00 0.00 O ATOM 0 H LYS A 77 -14.425 -0.549 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 77 -13.654 1.885 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.851 0.256 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.444 -0.472 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.446 1.678 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.898 2.485 -6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.923 0.925 -8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.484 0.147 -8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.995 3.132 -9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.050 1.925 -10.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.207 2.801 -10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.323 1.314 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.244 2.761 -8.766 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -16.449 5.570 -6.920 1.00 0.00 N ATOM 1176 CA GLY B 45 -15.337 5.243 -5.984 1.00 0.00 C ATOM 1177 C GLY B 45 -14.008 5.692 -6.591 1.00 0.00 C ATOM 1178 O GLY B 45 -13.601 5.200 -7.642 1.00 0.00 O ATOM 0 HA2 GLY B 45 -15.497 5.738 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -15.316 4.171 -5.789 1.00 0.00 H new ATOM 1184 N THR B 46 -13.329 6.627 -5.918 1.00 0.00 N ATOM 1185 CA THR B 46 -12.037 7.136 -6.395 1.00 0.00 C ATOM 1186 C THR B 46 -10.984 7.010 -5.300 1.00 0.00 C ATOM 1187 O THR B 46 -11.227 7.361 -4.144 1.00 0.00 O ATOM 1188 CB THR B 46 -12.170 8.601 -6.830 1.00 0.00 C ATOM 1189 OG1 THR B 46 -13.151 8.693 -7.859 1.00 0.00 O ATOM 1190 CG2 THR B 46 -10.824 9.104 -7.363 1.00 0.00 C ATOM 0 H THR B 46 -13.650 7.046 -5.045 1.00 0.00 H new ATOM 0 HA THR B 46 -11.725 6.542 -7.254 1.00 0.00 H new ATOM 0 HB THR B 46 -12.470 9.210 -5.977 1.00 0.00 H new ATOM 0 HG1 THR B 46 -13.243 9.627 -8.141 1.00 0.00 H new ATOM 0 HG21 THR B 46 -10.921 10.145 -7.671 1.00 0.00 H new ATOM 0 HG22 THR B 46 -10.070 9.026 -6.579 1.00 0.00 H new ATOM 0 HG23 THR B 46 -10.522 8.499 -8.218 1.00 0.00 H new ATOM 1198 N GLY B 47 -9.814 6.496 -5.675 1.00 0.00 N ATOM 1199 CA GLY B 47 -8.716 6.309 -4.728 1.00 0.00 C ATOM 1200 C GLY B 47 -8.707 4.880 -4.184 1.00 0.00 C ATOM 1201 O GLY B 47 -8.605 3.914 -4.941 1.00 0.00 O ATOM 0 H GLY B 47 -9.602 6.201 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -7.766 6.522 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -8.815 7.016 -3.904 1.00 0.00 H new ATOM 1205 N ALA B 48 -8.815 4.764 -2.863 1.00 0.00 N ATOM 1206 CA ALA B 48 -8.826 3.463 -2.194 1.00 0.00 C ATOM 1207 C ALA B 48 -7.956 2.428 -2.916 1.00 0.00 C ATOM 1208 O ALA B 48 -6.726 2.463 -2.818 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.265 2.955 -2.089 1.00 0.00 C ATOM 0 H ALA B 48 -8.897 5.560 -2.230 1.00 0.00 H new ATOM 0 HA ALA B 48 -8.403 3.600 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -10.273 1.986 -1.591 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.860 3.664 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.689 2.853 -3.088 1.00 0.00 H new ATOM 1215 N ALA B 49 -8.600 1.504 -3.629 1.00 0.00 N ATOM 1216 CA ALA B 49 -7.876 0.454 -4.345 1.00 0.00 C ATOM 1217 C ALA B 49 -6.925 1.051 -5.377 1.00 0.00 C ATOM 1218 O ALA B 49 -5.795 0.584 -5.542 1.00 0.00 O ATOM 1219 CB ALA B 49 -8.873 -0.472 -5.046 1.00 0.00 C ATOM 0 H ALA B 49 -9.614 1.461 -3.726 1.00 0.00 H new ATOM 0 HA ALA B 49 -7.289 -0.112 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -8.331 -1.253 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -9.530 -0.927 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -9.469 0.104 -5.754 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.388 2.087 -6.065 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.573 2.749 -7.076 1.00 0.00 C ATOM 1227 C LEU B 50 -5.344 3.381 -6.434 1.00 0.00 C ATOM 1228 O LEU B 50 -4.241 3.318 -6.977 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.404 3.825 -7.787 1.00 0.00 C ATOM 1230 CG LEU B 50 -6.551 4.576 -8.824 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -5.953 3.587 -9.838 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.439 5.590 -9.558 1.00 0.00 C ATOM 0 H LEU B 50 -8.319 2.486 -5.943 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.244 2.008 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.260 3.364 -8.279 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -7.798 4.529 -7.055 1.00 0.00 H new ATOM 0 HG LEU B 50 -5.736 5.092 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -5.352 4.131 -10.566 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -5.325 2.866 -9.316 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -6.758 3.062 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -6.844 6.128 -10.296 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -8.252 5.065 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -7.853 6.298 -8.840 1.00 0.00 H new ATOM 1244 N SER B 51 -5.553 3.994 -5.275 1.00 0.00 N ATOM 1245 CA SER B 51 -4.468 4.645 -4.553 1.00 0.00 C ATOM 1246 C SER B 51 -3.378 3.637 -4.222 1.00 0.00 C ATOM 1247 O SER B 51 -2.186 3.914 -4.373 1.00 0.00 O ATOM 1248 CB SER B 51 -5.012 5.249 -3.260 1.00 0.00 C ATOM 1249 OG SER B 51 -5.973 6.245 -3.572 1.00 0.00 O ATOM 0 H SER B 51 -6.462 4.054 -4.816 1.00 0.00 H new ATOM 0 HA SER B 51 -4.045 5.431 -5.179 1.00 0.00 H new ATOM 0 HB2 SER B 51 -5.465 4.471 -2.645 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.199 5.683 -2.678 1.00 0.00 H new ATOM 0 HG SER B 51 -6.324 6.632 -2.743 1.00 0.00 H new ATOM 1255 N TRP B 52 -3.800 2.464 -3.773 1.00 0.00 N ATOM 1256 CA TRP B 52 -2.867 1.405 -3.422 1.00 0.00 C ATOM 1257 C TRP B 52 -2.130 0.902 -4.665 1.00 0.00 C ATOM 1258 O TRP B 52 -0.912 0.727 -4.647 1.00 0.00 O ATOM 1259 CB TRP B 52 -3.628 0.250 -2.764 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.019 0.620 -1.361 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.292 0.739 -0.915 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.158 0.926 -0.222 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.267 1.088 0.424 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -3.976 1.215 0.898 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -1.762 0.975 -0.052 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.430 1.539 2.143 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.209 1.303 1.200 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -2.040 1.582 2.294 1.00 0.00 C ATOM 0 H TRP B 52 -4.782 2.222 -3.643 1.00 0.00 H new ATOM 0 HA TRP B 52 -2.131 1.802 -2.723 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -4.518 0.012 -3.347 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -3.006 -0.645 -2.752 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.182 0.586 -1.508 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.101 1.234 0.992 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.111 0.760 -0.887 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -4.076 1.754 2.981 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.136 1.340 1.319 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.608 1.830 3.252 1.00 0.00 H new ATOM 1279 N GLN B 53 -2.881 0.670 -5.742 1.00 0.00 N ATOM 1280 CA GLN B 53 -2.294 0.186 -6.993 1.00 0.00 C ATOM 1281 C GLN B 53 -1.366 1.235 -7.623 1.00 0.00 C ATOM 1282 O GLN B 53 -0.320 0.905 -8.176 1.00 0.00 O ATOM 1283 CB GLN B 53 -3.406 -0.180 -7.982 1.00 0.00 C ATOM 1284 CG GLN B 53 -4.145 -1.426 -7.484 1.00 0.00 C ATOM 1285 CD GLN B 53 -5.285 -1.780 -8.435 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -6.189 -0.971 -8.647 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -5.296 -2.952 -9.018 1.00 0.00 N ATOM 0 H GLN B 53 -3.891 0.808 -5.774 1.00 0.00 H new ATOM 0 HA GLN B 53 -1.698 -0.698 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.103 0.652 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -2.982 -0.366 -8.969 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -3.451 -2.263 -7.409 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.539 -1.248 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.545 -3.618 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -6.056 -3.199 -9.652 1.00 0.00 H new ATOM 1296 N ALA B 54 -1.758 2.498 -7.552 1.00 0.00 N ATOM 1297 CA ALA B 54 -0.943 3.566 -8.128 1.00 0.00 C ATOM 1298 C ALA B 54 0.346 3.775 -7.333 1.00 0.00 C ATOM 1299 O ALA B 54 1.397 4.071 -7.904 1.00 0.00 O ATOM 1300 CB ALA B 54 -1.743 4.867 -8.161 1.00 0.00 C ATOM 0 H ALA B 54 -2.622 2.810 -7.109 1.00 0.00 H new ATOM 0 HA ALA B 54 -0.672 3.273 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.131 5.660 -8.591 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -2.637 4.729 -8.769 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.032 5.142 -7.147 1.00 0.00 H new ATOM 1306 N ALA B 55 0.255 3.634 -6.013 1.00 0.00 N ATOM 1307 CA ALA B 55 1.418 3.822 -5.148 1.00 0.00 C ATOM 1308 C ALA B 55 2.439 2.707 -5.341 1.00 0.00 C ATOM 1309 O ALA B 55 3.643 2.955 -5.394 1.00 0.00 O ATOM 1310 CB ALA B 55 0.970 3.854 -3.686 1.00 0.00 C ATOM 0 H ALA B 55 -0.605 3.392 -5.521 1.00 0.00 H new ATOM 0 HA ALA B 55 1.890 4.768 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.838 3.994 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA B 55 0.271 4.677 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA B 55 0.480 2.913 -3.435 1.00 0.00 H new ATOM 1316 N ILE B 56 1.954 1.477 -5.433 1.00 0.00 N ATOM 1317 CA ILE B 56 2.836 0.332 -5.604 1.00 0.00 C ATOM 1318 C ILE B 56 3.534 0.387 -6.968 1.00 0.00 C ATOM 1319 O ILE B 56 4.715 0.060 -7.095 1.00 0.00 O ATOM 1320 CB ILE B 56 2.012 -0.977 -5.466 1.00 0.00 C ATOM 1321 CG1 ILE B 56 2.867 -2.079 -4.829 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.488 -1.478 -6.829 1.00 0.00 C ATOM 1323 CD1 ILE B 56 4.167 -2.276 -5.619 1.00 0.00 C ATOM 0 H ILE B 56 0.961 1.247 -5.392 1.00 0.00 H new ATOM 0 HA ILE B 56 3.606 0.355 -4.832 1.00 0.00 H new ATOM 0 HB ILE B 56 1.157 -0.748 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE B 56 3.098 -1.817 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE B 56 2.306 -3.013 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE B 56 0.918 -2.395 -6.685 1.00 0.00 H new ATOM 0 HG22 ILE B 56 0.846 -0.718 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.330 -1.675 -7.492 1.00 0.00 H new ATOM 0 HD11 ILE B 56 4.761 -3.062 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE B 56 3.930 -2.561 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE B 56 4.735 -1.346 -5.623 1.00 0.00 H new ATOM 1335 N ASP B 57 2.781 0.787 -7.981 1.00 0.00 N ATOM 1336 CA ASP B 57 3.305 0.856 -9.330 1.00 0.00 C ATOM 1337 C ASP B 57 4.456 1.849 -9.397 1.00 0.00 C ATOM 1338 O ASP B 57 5.494 1.578 -10.012 1.00 0.00 O ATOM 1339 CB ASP B 57 2.174 1.277 -10.286 1.00 0.00 C ATOM 1340 CG ASP B 57 1.282 0.078 -10.638 1.00 0.00 C ATOM 1341 OD1 ASP B 57 1.754 -1.046 -10.547 1.00 0.00 O ATOM 1342 OD2 ASP B 57 0.131 0.304 -10.983 1.00 0.00 O ATOM 0 H ASP B 57 1.805 1.068 -7.891 1.00 0.00 H new ATOM 0 HA ASP B 57 3.683 -0.122 -9.626 1.00 0.00 H new ATOM 0 HB2 ASP B 57 1.573 2.059 -9.823 1.00 0.00 H new ATOM 0 HB3 ASP B 57 2.600 1.699 -11.196 1.00 0.00 H new ATOM 1347 N ALA B 58 4.274 2.987 -8.750 1.00 0.00 N ATOM 1348 CA ALA B 58 5.309 4.012 -8.732 1.00 0.00 C ATOM 1349 C ALA B 58 6.493 3.560 -7.883 1.00 0.00 C ATOM 1350 O ALA B 58 7.648 3.797 -8.234 1.00 0.00 O ATOM 1351 CB ALA B 58 4.741 5.323 -8.190 1.00 0.00 C ATOM 0 H ALA B 58 3.427 3.226 -8.233 1.00 0.00 H new ATOM 0 HA ALA B 58 5.656 4.173 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA B 58 5.523 6.082 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.921 5.655 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.374 5.168 -7.176 1.00 0.00 H new ATOM 1357 N ALA B 59 6.197 2.897 -6.766 1.00 0.00 N ATOM 1358 CA ALA B 59 7.245 2.410 -5.879 1.00 0.00 C ATOM 1359 C ALA B 59 8.102 1.380 -6.601 1.00 0.00 C ATOM 1360 O ALA B 59 9.327 1.369 -6.465 1.00 0.00 O ATOM 1361 CB ALA B 59 6.617 1.776 -4.631 1.00 0.00 C ATOM 0 H ALA B 59 5.247 2.687 -6.458 1.00 0.00 H new ATOM 0 HA ALA B 59 7.873 3.249 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA B 59 7.405 1.414 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA B 59 6.019 2.521 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.980 0.943 -4.928 1.00 0.00 H new ATOM 1367 N ARG B 60 7.449 0.520 -7.371 1.00 0.00 N ATOM 1368 CA ARG B 60 8.157 -0.510 -8.118 1.00 0.00 C ATOM 1369 C ARG B 60 9.099 0.125 -9.145 1.00 0.00 C ATOM 1370 O ARG B 60 10.271 -0.241 -9.244 1.00 0.00 O ATOM 1371 CB ARG B 60 7.126 -1.411 -8.829 1.00 0.00 C ATOM 1372 CG ARG B 60 7.654 -2.840 -8.939 1.00 0.00 C ATOM 1373 CD ARG B 60 8.978 -2.838 -9.700 1.00 0.00 C ATOM 1374 NE ARG B 60 9.267 -4.181 -10.179 1.00 0.00 N ATOM 1375 CZ ARG B 60 10.065 -5.018 -9.508 1.00 0.00 C ATOM 1376 NH1 ARG B 60 10.687 -4.628 -8.418 1.00 0.00 N ATOM 1377 NH2 ARG B 60 10.228 -6.234 -9.949 1.00 0.00 N ATOM 0 H ARG B 60 6.436 0.515 -7.494 1.00 0.00 H new ATOM 0 HA ARG B 60 8.756 -1.108 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG B 60 6.186 -1.405 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG B 60 6.914 -1.017 -9.823 1.00 0.00 H new ATOM 0 HG2 ARG B 60 7.795 -3.264 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG B 60 6.928 -3.469 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG B 60 8.926 -2.145 -10.540 1.00 0.00 H new ATOM 0 HD3 ARG B 60 9.782 -2.492 -9.051 1.00 0.00 H new ATOM 0 HE ARG B 60 8.848 -4.494 -11.054 1.00 0.00 H new ATOM 0 HH11 ARG B 60 10.564 -3.676 -8.074 1.00 0.00 H new ATOM 0 HH12 ARG B 60 11.293 -5.278 -7.916 1.00 0.00 H new ATOM 0 HH21 ARG B 60 9.749 -6.537 -10.797 1.00 0.00 H new ATOM 0 HH22 ARG B 60 10.834 -6.882 -9.446 1.00 0.00 H new ATOM 1391 N GLN B 61 8.578 1.081 -9.905 1.00 0.00 N ATOM 1392 CA GLN B 61 9.389 1.749 -10.914 1.00 0.00 C ATOM 1393 C GLN B 61 10.506 2.534 -10.242 1.00 0.00 C ATOM 1394 O GLN B 61 11.643 2.553 -10.714 1.00 0.00 O ATOM 1395 CB GLN B 61 8.516 2.687 -11.754 1.00 0.00 C ATOM 1396 CG GLN B 61 9.341 3.299 -12.892 1.00 0.00 C ATOM 1397 CD GLN B 61 9.790 2.210 -13.863 1.00 0.00 C ATOM 1398 OE1 GLN B 61 9.017 1.307 -14.185 1.00 0.00 O ATOM 1399 NE2 GLN B 61 11.004 2.243 -14.350 1.00 0.00 N ATOM 0 H GLN B 61 7.613 1.407 -9.844 1.00 0.00 H new ATOM 0 HA GLN B 61 9.829 0.999 -11.571 1.00 0.00 H new ATOM 0 HB2 GLN B 61 7.669 2.137 -12.164 1.00 0.00 H new ATOM 0 HB3 GLN B 61 8.108 3.478 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN B 61 8.748 4.045 -13.420 1.00 0.00 H new ATOM 0 HG3 GLN B 61 10.211 3.814 -12.484 1.00 0.00 H new ATOM 0 HE21 GLN B 61 11.641 2.993 -14.081 1.00 0.00 H new ATOM 0 HE22 GLN B 61 11.313 1.519 -14.999 1.00 0.00 H new ATOM 1408 N ALA B 62 10.169 3.178 -9.131 1.00 0.00 N ATOM 1409 CA ALA B 62 11.143 3.962 -8.385 1.00 0.00 C ATOM 1410 C ALA B 62 12.224 3.059 -7.801 1.00 0.00 C ATOM 1411 O ALA B 62 13.400 3.422 -7.774 1.00 0.00 O ATOM 1412 CB ALA B 62 10.442 4.725 -7.257 1.00 0.00 C ATOM 0 H ALA B 62 9.232 3.172 -8.729 1.00 0.00 H new ATOM 0 HA ALA B 62 11.612 4.672 -9.066 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.176 5.310 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.692 5.392 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.959 4.017 -6.584 1.00 0.00 H new ATOM 1418 N LYS B 63 11.816 1.879 -7.338 1.00 0.00 N ATOM 1419 CA LYS B 63 12.758 0.926 -6.757 1.00 0.00 C ATOM 1420 C LYS B 63 13.787 0.486 -7.796 1.00 0.00 C ATOM 1421 O LYS B 63 14.987 0.468 -7.526 1.00 0.00 O ATOM 1422 CB LYS B 63 11.999 -0.297 -6.230 1.00 0.00 C ATOM 1423 CG LYS B 63 12.971 -1.250 -5.535 1.00 0.00 C ATOM 1424 CD LYS B 63 12.193 -2.415 -4.917 1.00 0.00 C ATOM 1425 CE LYS B 63 13.164 -3.354 -4.196 1.00 0.00 C ATOM 1426 NZ LYS B 63 14.010 -4.056 -5.199 1.00 0.00 N ATOM 0 H LYS B 63 10.847 1.562 -7.354 1.00 0.00 H new ATOM 0 HA LYS B 63 13.281 1.412 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS B 63 11.223 0.018 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS B 63 11.499 -0.809 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS B 63 13.702 -1.626 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.526 -0.719 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS B 63 11.448 -2.037 -4.216 1.00 0.00 H new ATOM 0 HD3 LYS B 63 11.654 -2.958 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS B 63 13.791 -2.788 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS B 63 12.610 -4.079 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 14.470 -4.875 -4.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 13.416 -4.380 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 14.736 -3.404 -5.558 1.00 0.00 H new ATOM 1440 N LEU B 64 13.304 0.128 -8.982 1.00 0.00 N ATOM 1441 CA LEU B 64 14.185 -0.319 -10.056 1.00 0.00 C ATOM 1442 C LEU B 64 15.129 0.799 -10.494 1.00 0.00 C ATOM 1443 O LEU B 64 16.311 0.561 -10.736 1.00 0.00 O ATOM 1444 CB LEU B 64 13.346 -0.787 -11.250 1.00 0.00 C ATOM 1445 CG LEU B 64 12.570 -2.062 -10.870 1.00 0.00 C ATOM 1446 CD1 LEU B 64 11.576 -2.406 -11.987 1.00 0.00 C ATOM 1447 CD2 LEU B 64 13.537 -3.250 -10.653 1.00 0.00 C ATOM 0 H LEU B 64 12.313 0.138 -9.223 1.00 0.00 H new ATOM 0 HA LEU B 64 14.788 -1.147 -9.683 1.00 0.00 H new ATOM 0 HB2 LEU B 64 12.651 -0.002 -11.549 1.00 0.00 H new ATOM 0 HB3 LEU B 64 13.992 -0.984 -12.106 1.00 0.00 H new ATOM 0 HG LEU B 64 12.033 -1.879 -9.939 1.00 0.00 H new ATOM 0 HD11 LEU B 64 11.026 -3.308 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU B 64 10.877 -1.580 -12.119 1.00 0.00 H new ATOM 0 HD13 LEU B 64 12.118 -2.574 -12.918 1.00 0.00 H new ATOM 0 HD21 LEU B 64 12.966 -4.139 -10.386 1.00 0.00 H new ATOM 0 HD22 LEU B 64 14.094 -3.438 -11.571 1.00 0.00 H new ATOM 0 HD23 LEU B 64 14.233 -3.010 -9.849 1.00 0.00 H new ATOM 1459 N MET B 65 14.598 2.013 -10.597 1.00 0.00 N ATOM 1460 CA MET B 65 15.404 3.156 -11.014 1.00 0.00 C ATOM 1461 C MET B 65 16.476 3.478 -9.974 1.00 0.00 C ATOM 1462 O MET B 65 17.601 3.837 -10.324 1.00 0.00 O ATOM 1463 CB MET B 65 14.504 4.375 -11.229 1.00 0.00 C ATOM 1464 CG MET B 65 15.343 5.554 -11.730 1.00 0.00 C ATOM 1465 SD MET B 65 14.260 6.956 -12.091 1.00 0.00 S ATOM 1466 CE MET B 65 15.533 8.054 -12.759 1.00 0.00 C ATOM 0 H MET B 65 13.621 2.230 -10.399 1.00 0.00 H new ATOM 0 HA MET B 65 15.901 2.902 -11.950 1.00 0.00 H new ATOM 0 HB2 MET B 65 13.723 4.139 -11.951 1.00 0.00 H new ATOM 0 HB3 MET B 65 14.006 4.641 -10.296 1.00 0.00 H new ATOM 0 HG2 MET B 65 16.080 5.835 -10.978 1.00 0.00 H new ATOM 0 HG3 MET B 65 15.894 5.267 -12.625 1.00 0.00 H new ATOM 0 HE1 MET B 65 15.120 9.054 -12.887 1.00 0.00 H new ATOM 0 HE2 MET B 65 16.376 8.095 -12.070 1.00 0.00 H new ATOM 0 HE3 MET B 65 15.871 7.675 -13.723 1.00 0.00 H new ATOM 1476 N GLY B 66 16.127 3.339 -8.697 1.00 0.00 N ATOM 1477 CA GLY B 66 17.074 3.610 -7.616 1.00 0.00 C ATOM 1478 C GLY B 66 17.130 5.099 -7.268 1.00 0.00 C ATOM 1479 O GLY B 66 17.899 5.507 -6.398 1.00 0.00 O ATOM 0 H GLY B 66 15.202 3.042 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.788 3.041 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY B 66 18.067 3.268 -7.908 1.00 0.00 H new ATOM 1483 N SER B 67 16.311 5.907 -7.942 1.00 0.00 N ATOM 1484 CA SER B 67 16.276 7.352 -7.683 1.00 0.00 C ATOM 1485 C SER B 67 14.838 7.848 -7.588 1.00 0.00 C ATOM 1486 O SER B 67 13.926 7.259 -8.167 1.00 0.00 O ATOM 1487 CB SER B 67 17.005 8.105 -8.795 1.00 0.00 C ATOM 1488 OG SER B 67 18.391 7.798 -8.738 1.00 0.00 O ATOM 0 H SER B 67 15.666 5.591 -8.667 1.00 0.00 H new ATOM 0 HA SER B 67 16.776 7.539 -6.733 1.00 0.00 H new ATOM 0 HB2 SER B 67 16.598 7.825 -9.767 1.00 0.00 H new ATOM 0 HB3 SER B 67 16.853 9.179 -8.683 1.00 0.00 H new ATOM 0 HG SER B 67 18.862 8.278 -9.451 1.00 0.00 H new ATOM 1494 N ALA B 68 14.646 8.939 -6.850 1.00 0.00 N ATOM 1495 CA ALA B 68 13.316 9.519 -6.676 1.00 0.00 C ATOM 1496 C ALA B 68 13.422 11.022 -6.451 1.00 0.00 C ATOM 1497 O ALA B 68 12.533 11.571 -5.824 1.00 0.00 O ATOM 1498 CB ALA B 68 12.617 8.870 -5.479 1.00 0.00 C ATOM 1499 OXT ALA B 68 14.392 11.600 -6.912 1.00 0.00 O ATOM 0 H ALA B 68 15.391 9.438 -6.364 1.00 0.00 H new ATOM 0 HA ALA B 68 12.734 9.335 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA B 68 11.626 9.307 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA B 68 12.522 7.798 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA B 68 13.205 9.042 -4.577 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.963 2.471 11.534 1.00 0.00 CA HETATM 1507 CA CA A 102 -2.730 -2.822 12.294 1.00 0.00 CA