USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 486 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 54 GLN : amide:sc= -2.71 K(o=-3,f=-12!) USER MOD Set 1.2: A 58 MET CE :methyl 151:sc= -0.311 (180deg=-0.578) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00148 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.4!) USER MOD Single : A 19 ASN : amide:sc= -0.394 K(o=-0.39,f=-2.5!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 175:sc= -6.66! (180deg=-6.93!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -138:sc= -0.515 (180deg=-4.44!) USER MOD Single : A 31 ASN : amide:sc= -0.0781 K(o=-0.078,f=-1.3!) USER MOD Single : A 32 MET CE :methyl 161:sc= -0.34 (180deg=-0.594) USER MOD Single : A 34 TYR OH : rot -70:sc= 0.815 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.18 X(o=-1.2,f=-0.87) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 98:sc= -0.0383 USER MOD Single : A 57 GLN : amide:sc= -0.102 K(o=-0.1,f=-2!) USER MOD Single : A 59 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00133 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.575 -3.070 -17.249 1.00 0.00 N ATOM 2 CA GLY A 1 9.924 -3.360 -17.705 1.00 0.00 C ATOM 3 C GLY A 1 10.775 -2.090 -17.743 1.00 0.00 C ATOM 4 O GLY A 1 11.274 -1.703 -18.799 1.00 0.00 O ATOM 0 H1 GLY A 1 8.018 -3.948 -17.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.612 -2.665 -16.292 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.129 -2.389 -17.896 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.386 -4.092 -17.042 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.888 -3.807 -18.698 1.00 0.00 H new ATOM 8 N SER A 2 10.916 -1.475 -16.577 1.00 0.00 N ATOM 9 CA SER A 2 11.699 -0.256 -16.464 1.00 0.00 C ATOM 10 C SER A 2 12.205 -0.092 -15.029 1.00 0.00 C ATOM 11 O SER A 2 11.464 -0.323 -14.075 1.00 0.00 O ATOM 12 CB SER A 2 10.879 0.966 -16.881 1.00 0.00 C ATOM 13 OG SER A 2 11.703 2.101 -17.133 1.00 0.00 O ATOM 0 H SER A 2 10.501 -1.798 -15.703 1.00 0.00 H new ATOM 0 HA SER A 2 12.553 -0.333 -17.137 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.305 0.729 -17.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.161 1.206 -16.096 1.00 0.00 H new ATOM 0 HG SER A 2 11.142 2.860 -17.398 1.00 0.00 H new ATOM 19 N SER A 3 13.464 0.307 -14.922 1.00 0.00 N ATOM 20 CA SER A 3 14.078 0.506 -13.620 1.00 0.00 C ATOM 21 C SER A 3 13.502 1.757 -12.955 1.00 0.00 C ATOM 22 O SER A 3 13.311 2.781 -13.610 1.00 0.00 O ATOM 23 CB SER A 3 15.599 0.622 -13.741 1.00 0.00 C ATOM 24 OG SER A 3 15.986 1.544 -14.756 1.00 0.00 O ATOM 0 H SER A 3 14.076 0.498 -15.716 1.00 0.00 H new ATOM 0 HA SER A 3 13.854 -0.362 -13.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.015 0.940 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.021 -0.358 -13.962 1.00 0.00 H new ATOM 0 HG SER A 3 16.964 1.590 -14.800 1.00 0.00 H new ATOM 30 N GLY A 4 13.240 1.634 -11.662 1.00 0.00 N ATOM 31 CA GLY A 4 12.689 2.742 -10.901 1.00 0.00 C ATOM 32 C GLY A 4 13.800 3.555 -10.233 1.00 0.00 C ATOM 33 O GLY A 4 14.797 2.994 -9.780 1.00 0.00 O ATOM 0 H GLY A 4 13.399 0.783 -11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.108 3.387 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.005 2.362 -10.142 1.00 0.00 H new ATOM 37 N SER A 5 13.591 4.862 -10.193 1.00 0.00 N ATOM 38 CA SER A 5 14.563 5.757 -9.588 1.00 0.00 C ATOM 39 C SER A 5 13.869 7.033 -9.106 1.00 0.00 C ATOM 40 O SER A 5 12.716 7.285 -9.450 1.00 0.00 O ATOM 41 CB SER A 5 15.682 6.102 -10.572 1.00 0.00 C ATOM 42 OG SER A 5 16.719 6.862 -9.957 1.00 0.00 O ATOM 0 H SER A 5 12.763 5.323 -10.570 1.00 0.00 H new ATOM 0 HA SER A 5 15.011 5.249 -8.734 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.101 5.183 -10.982 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.268 6.664 -11.409 1.00 0.00 H new ATOM 0 HG SER A 5 17.415 7.060 -10.618 1.00 0.00 H new ATOM 48 N SER A 6 14.602 7.804 -8.316 1.00 0.00 N ATOM 49 CA SER A 6 14.072 9.047 -7.782 1.00 0.00 C ATOM 50 C SER A 6 13.506 9.904 -8.917 1.00 0.00 C ATOM 51 O SER A 6 14.115 10.014 -9.980 1.00 0.00 O ATOM 52 CB SER A 6 15.147 9.822 -7.018 1.00 0.00 C ATOM 53 OG SER A 6 14.739 10.131 -5.688 1.00 0.00 O ATOM 0 H SER A 6 15.559 7.592 -8.033 1.00 0.00 H new ATOM 0 HA SER A 6 13.272 8.805 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.065 9.235 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.376 10.745 -7.551 1.00 0.00 H new ATOM 0 HG SER A 6 15.453 10.624 -5.233 1.00 0.00 H new ATOM 59 N GLY A 7 12.348 10.490 -8.652 1.00 0.00 N ATOM 60 CA GLY A 7 11.693 11.334 -9.637 1.00 0.00 C ATOM 61 C GLY A 7 10.365 10.722 -10.087 1.00 0.00 C ATOM 62 O GLY A 7 9.654 10.115 -9.287 1.00 0.00 O ATOM 0 H GLY A 7 11.846 10.397 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.517 12.323 -9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.347 11.468 -10.499 1.00 0.00 H new ATOM 66 N ARG A 8 10.070 10.903 -11.366 1.00 0.00 N ATOM 67 CA ARG A 8 8.840 10.377 -11.932 1.00 0.00 C ATOM 68 C ARG A 8 7.627 10.980 -11.220 1.00 0.00 C ATOM 69 O ARG A 8 7.762 11.577 -10.154 1.00 0.00 O ATOM 70 CB ARG A 8 8.786 8.852 -11.812 1.00 0.00 C ATOM 71 CG ARG A 8 9.264 8.184 -13.103 1.00 0.00 C ATOM 72 CD ARG A 8 10.437 7.240 -12.831 1.00 0.00 C ATOM 73 NE ARG A 8 10.680 6.381 -14.011 1.00 0.00 N ATOM 74 CZ ARG A 8 11.238 6.810 -15.150 1.00 0.00 C ATOM 75 NH1 ARG A 8 11.615 8.090 -15.272 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.420 5.959 -16.169 1.00 0.00 N ATOM 0 H ARG A 8 10.662 11.407 -12.026 1.00 0.00 H new ATOM 0 HA ARG A 8 8.819 10.649 -12.987 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.408 8.527 -10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.766 8.537 -11.591 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.442 7.628 -13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.565 8.947 -13.821 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.333 7.817 -12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.222 6.622 -11.959 1.00 0.00 H new ATOM 0 HE ARG A 8 10.405 5.400 -13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.477 8.738 -14.497 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.040 8.416 -16.140 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.133 4.984 -16.077 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.845 6.286 -17.037 1.00 0.00 H new ATOM 90 N PRO A 9 6.438 10.798 -11.856 1.00 0.00 N ATOM 91 CA PRO A 9 5.203 11.318 -11.295 1.00 0.00 C ATOM 92 C PRO A 9 4.739 10.468 -10.110 1.00 0.00 C ATOM 93 O PRO A 9 3.778 9.708 -10.225 1.00 0.00 O ATOM 94 CB PRO A 9 4.215 11.316 -12.450 1.00 0.00 C ATOM 95 CG PRO A 9 4.791 10.368 -13.489 1.00 0.00 C ATOM 96 CD PRO A 9 6.240 10.096 -13.120 1.00 0.00 C ATOM 0 HA PRO A 9 5.316 12.322 -10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.230 10.984 -12.121 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.092 12.318 -12.861 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.223 9.438 -13.514 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.727 10.808 -14.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.428 9.028 -13.013 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.920 10.464 -13.888 1.00 0.00 H new ATOM 104 N ALA A 10 5.442 10.625 -8.998 1.00 0.00 N ATOM 105 CA ALA A 10 5.115 9.882 -7.794 1.00 0.00 C ATOM 106 C ALA A 10 5.809 10.531 -6.595 1.00 0.00 C ATOM 107 O ALA A 10 6.783 9.994 -6.071 1.00 0.00 O ATOM 108 CB ALA A 10 5.513 8.416 -7.974 1.00 0.00 C ATOM 0 H ALA A 10 6.238 11.257 -8.906 1.00 0.00 H new ATOM 0 HA ALA A 10 4.041 9.908 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.267 7.859 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.971 7.993 -8.820 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.585 8.350 -8.161 1.00 0.00 H new ATOM 114 N ARG A 11 5.279 11.678 -6.194 1.00 0.00 N ATOM 115 CA ARG A 11 5.835 12.406 -5.067 1.00 0.00 C ATOM 116 C ARG A 11 5.549 11.661 -3.761 1.00 0.00 C ATOM 117 O ARG A 11 4.404 11.600 -3.315 1.00 0.00 O ATOM 118 CB ARG A 11 5.250 13.817 -4.980 1.00 0.00 C ATOM 119 CG ARG A 11 6.356 14.873 -5.032 1.00 0.00 C ATOM 120 CD ARG A 11 5.782 16.252 -5.363 1.00 0.00 C ATOM 121 NE ARG A 11 5.413 16.959 -4.116 1.00 0.00 N ATOM 122 CZ ARG A 11 6.299 17.515 -3.278 1.00 0.00 C ATOM 123 NH1 ARG A 11 7.609 17.450 -3.548 1.00 0.00 N ATOM 124 NH2 ARG A 11 5.873 18.137 -2.170 1.00 0.00 N ATOM 0 H ARG A 11 4.470 12.121 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 11 6.912 12.480 -5.219 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.551 13.976 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.684 13.923 -4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.873 14.911 -4.073 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.096 14.593 -5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.515 16.836 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.907 16.146 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 11 4.423 17.027 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.933 16.977 -4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.283 17.873 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.875 18.187 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.547 18.560 -1.532 1.00 0.00 H new ATOM 138 N GLN A 12 6.609 11.114 -3.184 1.00 0.00 N ATOM 139 CA GLN A 12 6.487 10.376 -1.939 1.00 0.00 C ATOM 140 C GLN A 12 6.255 11.339 -0.772 1.00 0.00 C ATOM 141 O GLN A 12 7.178 11.638 -0.017 1.00 0.00 O ATOM 142 CB GLN A 12 7.720 9.505 -1.694 1.00 0.00 C ATOM 143 CG GLN A 12 7.452 8.470 -0.600 1.00 0.00 C ATOM 144 CD GLN A 12 6.941 7.158 -1.200 1.00 0.00 C ATOM 145 OE1 GLN A 12 7.305 6.764 -2.296 1.00 0.00 O ATOM 146 NE2 GLN A 12 6.081 6.506 -0.423 1.00 0.00 N ATOM 0 H GLN A 12 7.557 11.167 -3.557 1.00 0.00 H new ATOM 0 HA GLN A 12 5.625 9.713 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.001 8.999 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.562 10.134 -1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.367 8.285 -0.038 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.719 8.862 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.819 6.892 0.484 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.684 5.620 -0.734 1.00 0.00 H new ATOM 155 N VAL A 13 5.017 11.798 -0.662 1.00 0.00 N ATOM 156 CA VAL A 13 4.652 12.720 0.399 1.00 0.00 C ATOM 157 C VAL A 13 3.657 12.039 1.341 1.00 0.00 C ATOM 158 O VAL A 13 2.816 11.257 0.902 1.00 0.00 O ATOM 159 CB VAL A 13 4.113 14.021 -0.200 1.00 0.00 C ATOM 160 CG1 VAL A 13 2.765 13.791 -0.887 1.00 0.00 C ATOM 161 CG2 VAL A 13 4.006 15.113 0.866 1.00 0.00 C ATOM 0 H VAL A 13 4.254 11.548 -1.291 1.00 0.00 H new ATOM 0 HA VAL A 13 5.528 12.988 0.990 1.00 0.00 H new ATOM 0 HB VAL A 13 4.821 14.360 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.404 14.731 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.884 13.061 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.045 13.417 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.621 16.027 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.330 14.786 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.992 15.306 1.290 1.00 0.00 H new ATOM 171 N ARG A 14 3.787 12.361 2.620 1.00 0.00 N ATOM 172 CA ARG A 14 2.909 11.790 3.628 1.00 0.00 C ATOM 173 C ARG A 14 1.855 12.813 4.055 1.00 0.00 C ATOM 174 O ARG A 14 2.184 13.836 4.653 1.00 0.00 O ATOM 175 CB ARG A 14 3.702 11.341 4.857 1.00 0.00 C ATOM 176 CG ARG A 14 2.838 10.483 5.784 1.00 0.00 C ATOM 177 CD ARG A 14 3.705 9.565 6.648 1.00 0.00 C ATOM 178 NE ARG A 14 3.201 8.175 6.572 1.00 0.00 N ATOM 179 CZ ARG A 14 2.022 7.776 7.067 1.00 0.00 C ATOM 180 NH1 ARG A 14 1.218 8.657 7.677 1.00 0.00 N ATOM 181 NH2 ARG A 14 1.647 6.494 6.953 1.00 0.00 N ATOM 0 H ARG A 14 4.487 13.010 2.981 1.00 0.00 H new ATOM 0 HA ARG A 14 2.419 10.921 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.578 10.774 4.542 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.066 12.214 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.234 11.127 6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.147 9.884 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.740 9.604 6.310 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.694 9.909 7.682 1.00 0.00 H new ATOM 0 HE ARG A 14 3.788 7.478 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.503 9.632 7.765 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.320 8.352 8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.259 5.823 6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.749 6.190 7.330 1.00 0.00 H new ATOM 195 N ARG A 15 0.609 12.501 3.731 1.00 0.00 N ATOM 196 CA ARG A 15 -0.496 13.380 4.074 1.00 0.00 C ATOM 197 C ARG A 15 -1.789 12.575 4.223 1.00 0.00 C ATOM 198 O ARG A 15 -1.930 11.506 3.632 1.00 0.00 O ATOM 199 CB ARG A 15 -0.694 14.458 3.006 1.00 0.00 C ATOM 200 CG ARG A 15 -1.125 13.837 1.675 1.00 0.00 C ATOM 201 CD ARG A 15 -2.448 14.436 1.193 1.00 0.00 C ATOM 202 NE ARG A 15 -2.354 14.780 -0.243 1.00 0.00 N ATOM 203 CZ ARG A 15 -2.405 13.881 -1.236 1.00 0.00 C ATOM 204 NH1 ARG A 15 -2.548 12.579 -0.954 1.00 0.00 N ATOM 205 NH2 ARG A 15 -2.312 14.284 -2.510 1.00 0.00 N ATOM 0 H ARG A 15 0.340 11.652 3.234 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.254 13.863 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.447 15.172 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.233 15.014 2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.352 14.003 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.231 12.758 1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.258 13.725 1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.687 15.327 1.774 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.243 15.763 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.618 12.272 0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.587 11.895 -1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.202 15.275 -2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.351 13.600 -3.265 1.00 0.00 H new ATOM 219 N LEU A 16 -2.699 13.120 5.017 1.00 0.00 N ATOM 220 CA LEU A 16 -3.975 12.466 5.251 1.00 0.00 C ATOM 221 C LEU A 16 -3.733 11.103 5.902 1.00 0.00 C ATOM 222 O LEU A 16 -2.606 10.610 5.917 1.00 0.00 O ATOM 223 CB LEU A 16 -4.786 12.394 3.956 1.00 0.00 C ATOM 224 CG LEU A 16 -6.168 13.049 3.992 1.00 0.00 C ATOM 225 CD1 LEU A 16 -7.076 12.357 5.010 1.00 0.00 C ATOM 226 CD2 LEU A 16 -6.056 14.552 4.253 1.00 0.00 C ATOM 0 H LEU A 16 -2.578 14.007 5.506 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.580 13.049 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.205 12.861 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.910 11.345 3.686 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.630 12.926 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.052 12.842 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.194 11.308 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.630 12.427 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.053 14.993 4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.565 14.719 5.212 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.470 15.016 3.460 1.00 0.00 H new ATOM 238 N GLU A 17 -4.809 10.532 6.423 1.00 0.00 N ATOM 239 CA GLU A 17 -4.727 9.235 7.073 1.00 0.00 C ATOM 240 C GLU A 17 -4.850 8.114 6.039 1.00 0.00 C ATOM 241 O GLU A 17 -5.335 8.337 4.931 1.00 0.00 O ATOM 242 CB GLU A 17 -5.795 9.099 8.160 1.00 0.00 C ATOM 243 CG GLU A 17 -5.178 9.224 9.554 1.00 0.00 C ATOM 244 CD GLU A 17 -5.067 7.856 10.230 1.00 0.00 C ATOM 245 OE1 GLU A 17 -6.101 7.154 10.263 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.952 7.543 10.699 1.00 0.00 O ATOM 0 H GLU A 17 -5.742 10.944 6.408 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.753 9.152 7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.556 9.868 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.295 8.135 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.190 9.677 9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.787 9.888 10.167 1.00 0.00 H new ATOM 253 N PHE A 18 -4.403 6.933 6.438 1.00 0.00 N ATOM 254 CA PHE A 18 -4.457 5.776 5.560 1.00 0.00 C ATOM 255 C PHE A 18 -5.405 4.711 6.114 1.00 0.00 C ATOM 256 O PHE A 18 -5.066 3.529 6.145 1.00 0.00 O ATOM 257 CB PHE A 18 -3.042 5.198 5.494 1.00 0.00 C ATOM 258 CG PHE A 18 -2.504 4.713 6.841 1.00 0.00 C ATOM 259 CD1 PHE A 18 -2.049 5.611 7.755 1.00 0.00 C ATOM 260 CD2 PHE A 18 -2.481 3.383 7.125 1.00 0.00 C ATOM 261 CE1 PHE A 18 -1.550 5.160 9.006 1.00 0.00 C ATOM 262 CE2 PHE A 18 -1.982 2.932 8.376 1.00 0.00 C ATOM 263 CZ PHE A 18 -1.527 3.830 9.290 1.00 0.00 C ATOM 0 H PHE A 18 -4.001 6.752 7.358 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.822 6.072 4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.033 4.366 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.368 5.958 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.067 6.667 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.842 2.670 6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.189 5.873 9.732 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.964 1.876 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.147 3.487 10.241 1.00 0.00 H new ATOM 273 N ASN A 19 -6.574 5.167 6.539 1.00 0.00 N ATOM 274 CA ASN A 19 -7.573 4.268 7.091 1.00 0.00 C ATOM 275 C ASN A 19 -8.136 3.390 5.972 1.00 0.00 C ATOM 276 O ASN A 19 -8.148 2.165 6.086 1.00 0.00 O ATOM 277 CB ASN A 19 -8.735 5.048 7.709 1.00 0.00 C ATOM 278 CG ASN A 19 -8.773 4.862 9.228 1.00 0.00 C ATOM 279 OD1 ASN A 19 -8.182 3.951 9.783 1.00 0.00 O ATOM 280 ND2 ASN A 19 -9.500 5.775 9.866 1.00 0.00 N ATOM 0 H ASN A 19 -6.852 6.148 6.512 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.094 3.664 7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.634 6.107 7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.676 4.711 7.274 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.588 5.738 10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.969 6.512 9.340 1.00 0.00 H new ATOM 287 N GLN A 20 -8.587 4.050 4.916 1.00 0.00 N ATOM 288 CA GLN A 20 -9.150 3.344 3.777 1.00 0.00 C ATOM 289 C GLN A 20 -8.241 2.183 3.370 1.00 0.00 C ATOM 290 O GLN A 20 -8.676 1.033 3.334 1.00 0.00 O ATOM 291 CB GLN A 20 -9.382 4.297 2.602 1.00 0.00 C ATOM 292 CG GLN A 20 -10.430 3.734 1.639 1.00 0.00 C ATOM 293 CD GLN A 20 -11.182 4.861 0.928 1.00 0.00 C ATOM 294 OE1 GLN A 20 -12.267 5.260 1.316 1.00 0.00 O ATOM 295 NE2 GLN A 20 -10.545 5.351 -0.133 1.00 0.00 N ATOM 0 H GLN A 20 -8.574 5.066 4.825 1.00 0.00 H new ATOM 0 HA GLN A 20 -10.118 2.937 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.710 5.267 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.444 4.460 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.945 3.094 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.136 3.111 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.638 4.971 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -10.964 6.107 -0.675 1.00 0.00 H new ATOM 304 N ALA A 21 -6.996 2.524 3.073 1.00 0.00 N ATOM 305 CA ALA A 21 -6.022 1.524 2.670 1.00 0.00 C ATOM 306 C ALA A 21 -6.131 0.310 3.594 1.00 0.00 C ATOM 307 O ALA A 21 -6.462 -0.787 3.146 1.00 0.00 O ATOM 308 CB ALA A 21 -4.622 2.141 2.681 1.00 0.00 C ATOM 0 H ALA A 21 -6.639 3.479 3.103 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.220 1.183 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.891 1.391 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.589 2.980 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.387 2.492 3.686 1.00 0.00 H new ATOM 314 N MET A 22 -5.848 0.547 4.866 1.00 0.00 N ATOM 315 CA MET A 22 -5.911 -0.514 5.857 1.00 0.00 C ATOM 316 C MET A 22 -7.238 -1.270 5.768 1.00 0.00 C ATOM 317 O MET A 22 -7.274 -2.488 5.932 1.00 0.00 O ATOM 318 CB MET A 22 -5.757 0.085 7.257 1.00 0.00 C ATOM 319 CG MET A 22 -4.297 0.438 7.545 1.00 0.00 C ATOM 320 SD MET A 22 -3.861 -0.069 9.200 1.00 0.00 S ATOM 321 CE MET A 22 -3.750 -1.835 8.964 1.00 0.00 C ATOM 0 H MET A 22 -5.574 1.458 5.234 1.00 0.00 H new ATOM 0 HA MET A 22 -5.101 -1.217 5.661 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.375 0.979 7.344 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.117 -0.625 8.002 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.646 -0.053 6.822 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.145 1.511 7.433 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.398 -2.303 9.883 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.733 -2.230 8.709 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.051 -2.051 8.156 1.00 0.00 H new ATOM 331 N ASP A 23 -8.295 -0.516 5.507 1.00 0.00 N ATOM 332 CA ASP A 23 -9.621 -1.099 5.394 1.00 0.00 C ATOM 333 C ASP A 23 -9.671 -2.005 4.162 1.00 0.00 C ATOM 334 O ASP A 23 -10.185 -3.121 4.229 1.00 0.00 O ATOM 335 CB ASP A 23 -10.688 -0.015 5.227 1.00 0.00 C ATOM 336 CG ASP A 23 -11.951 -0.216 6.066 1.00 0.00 C ATOM 337 OD1 ASP A 23 -12.835 -0.963 5.592 1.00 0.00 O ATOM 338 OD2 ASP A 23 -12.005 0.381 7.163 1.00 0.00 O ATOM 0 H ASP A 23 -8.260 0.494 5.370 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.820 -1.663 6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.249 0.949 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.972 0.035 4.176 1.00 0.00 H new ATOM 343 N ASP A 24 -9.131 -1.492 3.067 1.00 0.00 N ATOM 344 CA ASP A 24 -9.108 -2.241 1.822 1.00 0.00 C ATOM 345 C ASP A 24 -8.464 -3.607 2.066 1.00 0.00 C ATOM 346 O ASP A 24 -9.010 -4.635 1.667 1.00 0.00 O ATOM 347 CB ASP A 24 -8.284 -1.514 0.757 1.00 0.00 C ATOM 348 CG ASP A 24 -9.008 -1.278 -0.570 1.00 0.00 C ATOM 349 OD1 ASP A 24 -8.908 -2.173 -1.437 1.00 0.00 O ATOM 350 OD2 ASP A 24 -9.644 -0.208 -0.688 1.00 0.00 O ATOM 0 H ASP A 24 -8.706 -0.566 3.016 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.135 -2.347 1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.968 -0.551 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.379 -2.090 0.563 1.00 0.00 H new ATOM 355 N PHE A 25 -7.312 -3.575 2.720 1.00 0.00 N ATOM 356 CA PHE A 25 -6.588 -4.798 3.022 1.00 0.00 C ATOM 357 C PHE A 25 -7.403 -5.703 3.949 1.00 0.00 C ATOM 358 O PHE A 25 -7.438 -6.918 3.762 1.00 0.00 O ATOM 359 CB PHE A 25 -5.297 -4.390 3.733 1.00 0.00 C ATOM 360 CG PHE A 25 -4.275 -3.706 2.823 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.842 -4.332 1.696 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.799 -2.472 3.141 1.00 0.00 C ATOM 363 CE1 PHE A 25 -2.893 -3.698 0.851 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.850 -1.838 2.296 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.417 -2.464 1.169 1.00 0.00 C ATOM 0 H PHE A 25 -6.862 -2.721 3.049 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.389 -5.349 2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.544 -3.718 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.841 -5.277 4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.220 -5.312 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.143 -1.975 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.549 -4.195 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.472 -0.858 2.548 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.695 -1.981 0.527 1.00 0.00 H new ATOM 375 N LYS A 26 -8.038 -5.075 4.928 1.00 0.00 N ATOM 376 CA LYS A 26 -8.849 -5.808 5.884 1.00 0.00 C ATOM 377 C LYS A 26 -9.861 -6.674 5.130 1.00 0.00 C ATOM 378 O LYS A 26 -10.134 -7.805 5.529 1.00 0.00 O ATOM 379 CB LYS A 26 -9.490 -4.849 6.890 1.00 0.00 C ATOM 380 CG LYS A 26 -8.586 -4.647 8.107 1.00 0.00 C ATOM 381 CD LYS A 26 -8.313 -5.976 8.814 1.00 0.00 C ATOM 382 CE LYS A 26 -8.163 -5.773 10.323 1.00 0.00 C ATOM 383 NZ LYS A 26 -9.426 -6.108 11.019 1.00 0.00 N ATOM 0 H LYS A 26 -8.007 -4.067 5.079 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.227 -6.482 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.681 -3.889 6.411 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.454 -5.243 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.644 -4.197 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.056 -3.951 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.129 -6.672 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.405 -6.426 8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.355 -6.399 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.889 -4.739 10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.307 -5.965 12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.189 -5.493 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.671 -7.102 10.835 1.00 0.00 H new ATOM 397 N THR A 27 -10.389 -6.110 4.054 1.00 0.00 N ATOM 398 CA THR A 27 -11.364 -6.816 3.241 1.00 0.00 C ATOM 399 C THR A 27 -10.662 -7.786 2.289 1.00 0.00 C ATOM 400 O THR A 27 -11.171 -8.872 2.016 1.00 0.00 O ATOM 401 CB THR A 27 -12.224 -5.775 2.522 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.512 -5.920 3.114 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.450 -6.118 1.048 1.00 0.00 C ATOM 0 H THR A 27 -10.160 -5.172 3.726 1.00 0.00 H new ATOM 0 HA THR A 27 -12.020 -7.431 3.857 1.00 0.00 H new ATOM 0 HB THR A 27 -11.748 -4.797 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.133 -5.280 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.066 -5.347 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.490 -6.171 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.956 -7.081 0.972 1.00 0.00 H new ATOM 411 N MET A 28 -9.503 -7.359 1.809 1.00 0.00 N ATOM 412 CA MET A 28 -8.725 -8.177 0.893 1.00 0.00 C ATOM 413 C MET A 28 -8.221 -9.445 1.584 1.00 0.00 C ATOM 414 O MET A 28 -8.352 -10.543 1.045 1.00 0.00 O ATOM 415 CB MET A 28 -7.534 -7.369 0.374 1.00 0.00 C ATOM 416 CG MET A 28 -8.002 -6.153 -0.427 1.00 0.00 C ATOM 417 SD MET A 28 -7.596 -6.365 -2.152 1.00 0.00 S ATOM 418 CE MET A 28 -5.823 -6.530 -2.035 1.00 0.00 C ATOM 0 H MET A 28 -9.084 -6.458 2.037 1.00 0.00 H new ATOM 0 HA MET A 28 -9.366 -8.470 0.062 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.919 -7.042 1.213 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.906 -8.002 -0.253 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.078 -6.023 -0.311 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.529 -5.250 -0.042 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.351 -5.962 -2.837 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.485 -6.147 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.549 -7.581 -2.124 1.00 0.00 H new ATOM 428 N PHE A 29 -7.655 -9.252 2.766 1.00 0.00 N ATOM 429 CA PHE A 29 -7.130 -10.367 3.536 1.00 0.00 C ATOM 430 C PHE A 29 -7.642 -10.328 4.977 1.00 0.00 C ATOM 431 O PHE A 29 -7.127 -9.575 5.802 1.00 0.00 O ATOM 432 CB PHE A 29 -5.607 -10.228 3.544 1.00 0.00 C ATOM 433 CG PHE A 29 -4.990 -10.058 2.154 1.00 0.00 C ATOM 434 CD1 PHE A 29 -4.966 -8.833 1.565 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.465 -11.134 1.507 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.394 -8.675 0.276 1.00 0.00 C ATOM 437 CE2 PHE A 29 -3.893 -10.976 0.217 1.00 0.00 C ATOM 438 CZ PHE A 29 -3.869 -9.751 -0.371 1.00 0.00 C ATOM 0 H PHE A 29 -7.548 -8.340 3.210 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.450 -11.309 3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.334 -9.370 4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.174 -11.110 4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.383 -7.979 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.483 -12.107 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.375 -7.701 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.477 -11.830 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.433 -9.631 -1.352 1.00 0.00 H new ATOM 448 N PRO A 30 -8.677 -11.169 5.243 1.00 0.00 N ATOM 449 CA PRO A 30 -9.264 -11.238 6.570 1.00 0.00 C ATOM 450 C PRO A 30 -8.352 -11.999 7.534 1.00 0.00 C ATOM 451 O PRO A 30 -8.228 -11.627 8.700 1.00 0.00 O ATOM 452 CB PRO A 30 -10.612 -11.912 6.370 1.00 0.00 C ATOM 453 CG PRO A 30 -10.531 -12.612 5.023 1.00 0.00 C ATOM 454 CD PRO A 30 -9.313 -12.075 4.290 1.00 0.00 C ATOM 0 HA PRO A 30 -9.389 -10.256 7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.815 -12.625 7.169 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.420 -11.181 6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.450 -13.691 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.436 -12.430 4.443 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.639 -12.881 3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.599 -11.553 3.377 1.00 0.00 H new ATOM 462 N ASN A 31 -7.738 -13.050 7.012 1.00 0.00 N ATOM 463 CA ASN A 31 -6.841 -13.866 7.813 1.00 0.00 C ATOM 464 C ASN A 31 -5.651 -13.017 8.263 1.00 0.00 C ATOM 465 O ASN A 31 -5.132 -13.203 9.363 1.00 0.00 O ATOM 466 CB ASN A 31 -6.301 -15.047 7.003 1.00 0.00 C ATOM 467 CG ASN A 31 -7.328 -16.178 6.931 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.094 -16.415 7.850 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.301 -16.861 5.790 1.00 0.00 N ATOM 0 H ASN A 31 -7.844 -13.356 6.045 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.401 -14.242 8.670 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.048 -14.716 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.381 -15.415 7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.948 -17.636 5.644 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.633 -16.610 5.061 1.00 0.00 H new ATOM 476 N MET A 32 -5.253 -12.103 7.390 1.00 0.00 N ATOM 477 CA MET A 32 -4.133 -11.225 7.685 1.00 0.00 C ATOM 478 C MET A 32 -4.323 -10.529 9.034 1.00 0.00 C ATOM 479 O MET A 32 -5.413 -10.556 9.603 1.00 0.00 O ATOM 480 CB MET A 32 -4.006 -10.173 6.581 1.00 0.00 C ATOM 481 CG MET A 32 -3.128 -10.684 5.436 1.00 0.00 C ATOM 482 SD MET A 32 -1.464 -10.961 6.019 1.00 0.00 S ATOM 483 CE MET A 32 -0.818 -11.928 4.665 1.00 0.00 C ATOM 0 H MET A 32 -5.686 -11.951 6.479 1.00 0.00 H new ATOM 0 HA MET A 32 -3.225 -11.827 7.733 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.995 -9.919 6.200 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.578 -9.259 6.992 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.541 -11.610 5.036 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.121 -9.960 4.621 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.271 -11.905 4.689 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.161 -12.958 4.757 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.169 -11.512 3.721 1.00 0.00 H new ATOM 493 N ASP A 33 -3.244 -9.921 9.506 1.00 0.00 N ATOM 494 CA ASP A 33 -3.278 -9.218 10.778 1.00 0.00 C ATOM 495 C ASP A 33 -2.995 -7.733 10.543 1.00 0.00 C ATOM 496 O ASP A 33 -2.098 -7.382 9.779 1.00 0.00 O ATOM 497 CB ASP A 33 -2.211 -9.757 11.733 1.00 0.00 C ATOM 498 CG ASP A 33 -2.748 -10.330 13.046 1.00 0.00 C ATOM 499 OD1 ASP A 33 -3.959 -10.641 13.076 1.00 0.00 O ATOM 500 OD2 ASP A 33 -1.937 -10.445 13.989 1.00 0.00 O ATOM 0 H ASP A 33 -2.342 -9.901 9.031 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.264 -9.365 11.218 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.645 -10.534 11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.512 -8.953 11.964 1.00 0.00 H new ATOM 505 N TYR A 34 -3.778 -6.901 11.214 1.00 0.00 N ATOM 506 CA TYR A 34 -3.623 -5.462 11.088 1.00 0.00 C ATOM 507 C TYR A 34 -2.152 -5.056 11.203 1.00 0.00 C ATOM 508 O TYR A 34 -1.728 -4.068 10.605 1.00 0.00 O ATOM 509 CB TYR A 34 -4.401 -4.850 12.254 1.00 0.00 C ATOM 510 CG TYR A 34 -4.723 -3.365 12.077 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.662 -2.969 11.146 1.00 0.00 C ATOM 512 CD2 TYR A 34 -4.075 -2.422 12.848 1.00 0.00 C ATOM 513 CE1 TYR A 34 -5.965 -1.571 10.979 1.00 0.00 C ATOM 514 CE2 TYR A 34 -4.377 -1.024 12.681 1.00 0.00 C ATOM 515 CZ TYR A 34 -5.308 -0.667 11.754 1.00 0.00 C ATOM 516 OH TYR A 34 -5.594 0.653 11.597 1.00 0.00 O ATOM 0 H TYR A 34 -4.522 -7.196 11.847 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.986 -5.121 10.118 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.333 -5.400 12.384 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.824 -4.979 13.170 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.169 -3.707 10.543 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.341 -2.732 13.577 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.698 -1.248 10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.876 -0.276 13.278 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.252 0.961 10.732 1.00 0.00 H new ATOM 526 N ASP A 35 -1.414 -5.840 11.976 1.00 0.00 N ATOM 527 CA ASP A 35 0.000 -5.575 12.177 1.00 0.00 C ATOM 528 C ASP A 35 0.772 -5.967 10.916 1.00 0.00 C ATOM 529 O ASP A 35 1.627 -5.215 10.448 1.00 0.00 O ATOM 530 CB ASP A 35 0.553 -6.395 13.344 1.00 0.00 C ATOM 531 CG ASP A 35 0.913 -5.585 14.591 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.181 -4.609 14.864 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.912 -5.959 15.242 1.00 0.00 O ATOM 0 H ASP A 35 -1.769 -6.659 12.470 1.00 0.00 H new ATOM 0 HA ASP A 35 0.117 -4.513 12.395 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.184 -7.149 13.620 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.442 -6.927 13.005 1.00 0.00 H new ATOM 538 N ILE A 36 0.444 -7.143 10.401 1.00 0.00 N ATOM 539 CA ILE A 36 1.097 -7.643 9.203 1.00 0.00 C ATOM 540 C ILE A 36 0.834 -6.680 8.044 1.00 0.00 C ATOM 541 O ILE A 36 1.770 -6.152 7.446 1.00 0.00 O ATOM 542 CB ILE A 36 0.661 -9.082 8.917 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.877 -9.973 10.142 1.00 0.00 C ATOM 544 CG2 ILE A 36 1.368 -9.632 7.676 1.00 0.00 C ATOM 545 CD1 ILE A 36 2.251 -9.725 10.766 1.00 0.00 C ATOM 0 H ILE A 36 -0.265 -7.764 10.791 1.00 0.00 H new ATOM 0 HA ILE A 36 2.177 -7.683 9.346 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.408 -9.080 8.704 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.098 -9.778 10.879 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.788 -11.021 9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.041 -10.656 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.121 -9.014 6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.446 -9.619 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.378 -10.371 11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.028 -9.944 10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.327 -8.683 11.075 1.00 0.00 H new ATOM 557 N ILE A 37 -0.445 -6.479 7.761 1.00 0.00 N ATOM 558 CA ILE A 37 -0.843 -5.589 6.684 1.00 0.00 C ATOM 559 C ILE A 37 0.049 -4.346 6.700 1.00 0.00 C ATOM 560 O ILE A 37 0.660 -4.003 5.689 1.00 0.00 O ATOM 561 CB ILE A 37 -2.337 -5.274 6.774 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.179 -6.477 6.345 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.682 -4.018 5.971 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.321 -6.728 7.331 1.00 0.00 C ATOM 0 H ILE A 37 -1.219 -6.918 8.259 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.700 -6.073 5.718 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.579 -5.067 7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.586 -6.304 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.547 -7.363 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.750 -3.816 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.122 -3.170 6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.420 -4.172 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.903 -7.589 7.002 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.910 -6.925 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.965 -5.849 7.374 1.00 0.00 H new ATOM 576 N GLU A 38 0.097 -3.706 7.859 1.00 0.00 N ATOM 577 CA GLU A 38 0.905 -2.508 8.019 1.00 0.00 C ATOM 578 C GLU A 38 2.390 -2.846 7.871 1.00 0.00 C ATOM 579 O GLU A 38 3.119 -2.156 7.161 1.00 0.00 O ATOM 580 CB GLU A 38 0.627 -1.836 9.365 1.00 0.00 C ATOM 581 CG GLU A 38 -0.763 -1.196 9.382 1.00 0.00 C ATOM 582 CD GLU A 38 -0.721 0.187 10.037 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.230 0.935 9.724 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.642 0.464 10.835 1.00 0.00 O ATOM 0 H GLU A 38 -0.410 -3.994 8.696 1.00 0.00 H new ATOM 0 HA GLU A 38 0.633 -1.802 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.702 -2.572 10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.384 -1.076 9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.140 -1.109 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.457 -1.838 9.924 1.00 0.00 H new ATOM 591 N CYS A 39 2.793 -3.908 8.553 1.00 0.00 N ATOM 592 CA CYS A 39 4.178 -4.346 8.507 1.00 0.00 C ATOM 593 C CYS A 39 4.667 -4.237 7.061 1.00 0.00 C ATOM 594 O CYS A 39 5.710 -3.640 6.798 1.00 0.00 O ATOM 595 CB CYS A 39 4.342 -5.762 9.061 1.00 0.00 C ATOM 596 SG CYS A 39 5.674 -5.793 10.316 1.00 0.00 S ATOM 0 H CYS A 39 2.185 -4.478 9.141 1.00 0.00 H new ATOM 0 HA CYS A 39 4.787 -3.706 9.145 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.405 -6.098 9.505 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.578 -6.453 8.252 1.00 0.00 H new ATOM 0 HG CYS A 39 5.803 -7.000 10.782 1.00 0.00 H new ATOM 602 N VAL A 40 3.892 -4.825 6.162 1.00 0.00 N ATOM 603 CA VAL A 40 4.234 -4.803 4.750 1.00 0.00 C ATOM 604 C VAL A 40 4.278 -3.353 4.264 1.00 0.00 C ATOM 605 O VAL A 40 5.242 -2.939 3.621 1.00 0.00 O ATOM 606 CB VAL A 40 3.250 -5.668 3.960 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.738 -5.882 2.525 1.00 0.00 C ATOM 608 CG2 VAL A 40 3.010 -7.006 4.662 1.00 0.00 C ATOM 0 H VAL A 40 3.028 -5.320 6.384 1.00 0.00 H new ATOM 0 HA VAL A 40 5.224 -5.231 4.590 1.00 0.00 H new ATOM 0 HB VAL A 40 2.299 -5.138 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.021 -6.500 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.834 -4.918 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.707 -6.381 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.307 -7.601 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.954 -7.544 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.598 -6.827 5.655 1.00 0.00 H new ATOM 618 N LEU A 41 3.222 -2.621 4.588 1.00 0.00 N ATOM 619 CA LEU A 41 3.129 -1.226 4.193 1.00 0.00 C ATOM 620 C LEU A 41 4.452 -0.523 4.501 1.00 0.00 C ATOM 621 O LEU A 41 5.053 0.090 3.620 1.00 0.00 O ATOM 622 CB LEU A 41 1.914 -0.564 4.847 1.00 0.00 C ATOM 623 CG LEU A 41 0.554 -0.898 4.230 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.580 -0.223 5.003 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.525 -0.543 2.742 1.00 0.00 C ATOM 0 H LEU A 41 2.424 -2.968 5.120 1.00 0.00 H new ATOM 0 HA LEU A 41 2.968 -1.145 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.893 -0.848 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.051 0.517 4.811 1.00 0.00 H new ATOM 0 HG LEU A 41 0.399 -1.974 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.535 -0.477 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.572 -0.568 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.443 0.858 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.452 -0.790 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.712 0.524 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.295 -1.109 2.218 1.00 0.00 H new ATOM 637 N ARG A 42 4.867 -0.635 5.754 1.00 0.00 N ATOM 638 CA ARG A 42 6.109 -0.017 6.189 1.00 0.00 C ATOM 639 C ARG A 42 7.307 -0.747 5.578 1.00 0.00 C ATOM 640 O ARG A 42 8.252 -0.113 5.110 1.00 0.00 O ATOM 641 CB ARG A 42 6.230 -0.040 7.714 1.00 0.00 C ATOM 642 CG ARG A 42 4.925 0.408 8.374 1.00 0.00 C ATOM 643 CD ARG A 42 5.200 1.325 9.567 1.00 0.00 C ATOM 644 NE ARG A 42 3.932 1.654 10.256 1.00 0.00 N ATOM 645 CZ ARG A 42 3.790 2.661 11.129 1.00 0.00 C ATOM 646 NH1 ARG A 42 4.837 3.444 11.424 1.00 0.00 N ATOM 647 NH2 ARG A 42 2.602 2.886 11.706 1.00 0.00 N ATOM 0 H ARG A 42 4.366 -1.144 6.482 1.00 0.00 H new ATOM 0 HA ARG A 42 6.100 1.020 5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.483 -1.046 8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.044 0.614 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.305 0.930 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.362 -0.465 8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.884 0.837 10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.687 2.239 9.229 1.00 0.00 H new ATOM 0 HE ARG A 42 3.115 1.078 10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.741 3.273 10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.729 4.211 12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.805 2.291 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.495 3.653 12.370 1.00 0.00 H new ATOM 661 N ALA A 43 7.229 -2.070 5.603 1.00 0.00 N ATOM 662 CA ALA A 43 8.296 -2.892 5.057 1.00 0.00 C ATOM 663 C ALA A 43 8.590 -2.452 3.622 1.00 0.00 C ATOM 664 O ALA A 43 9.749 -2.283 3.246 1.00 0.00 O ATOM 665 CB ALA A 43 7.899 -4.367 5.145 1.00 0.00 C ATOM 0 H ALA A 43 6.444 -2.592 5.992 1.00 0.00 H new ATOM 0 HA ALA A 43 9.212 -2.765 5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.699 -4.984 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.730 -4.637 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.985 -4.532 4.575 1.00 0.00 H new ATOM 671 N ASN A 44 7.521 -2.279 2.859 1.00 0.00 N ATOM 672 CA ASN A 44 7.650 -1.862 1.473 1.00 0.00 C ATOM 673 C ASN A 44 7.804 -0.341 1.415 1.00 0.00 C ATOM 674 O ASN A 44 8.247 0.203 0.405 1.00 0.00 O ATOM 675 CB ASN A 44 6.407 -2.243 0.665 1.00 0.00 C ATOM 676 CG ASN A 44 6.374 -3.747 0.386 1.00 0.00 C ATOM 677 OD1 ASN A 44 6.583 -4.203 -0.726 1.00 0.00 O ATOM 678 ND2 ASN A 44 6.101 -4.489 1.455 1.00 0.00 N ATOM 0 H ASN A 44 6.561 -2.420 3.174 1.00 0.00 H new ATOM 0 HA ASN A 44 8.522 -2.361 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.510 -1.951 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.399 -1.695 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.056 -5.505 1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.936 -4.042 2.357 1.00 0.00 H new ATOM 685 N SER A 45 7.430 0.302 2.511 1.00 0.00 N ATOM 686 CA SER A 45 7.521 1.749 2.598 1.00 0.00 C ATOM 687 C SER A 45 6.413 2.394 1.762 1.00 0.00 C ATOM 688 O SER A 45 6.620 2.718 0.594 1.00 0.00 O ATOM 689 CB SER A 45 8.892 2.244 2.133 1.00 0.00 C ATOM 690 OG SER A 45 9.604 2.903 3.176 1.00 0.00 O ATOM 0 H SER A 45 7.063 -0.153 3.347 1.00 0.00 H new ATOM 0 HA SER A 45 7.395 2.037 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.479 1.400 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.765 2.927 1.293 1.00 0.00 H new ATOM 0 HG SER A 45 10.474 3.202 2.839 1.00 0.00 H new ATOM 696 N GLY A 46 5.260 2.561 2.394 1.00 0.00 N ATOM 697 CA GLY A 46 4.120 3.162 1.724 1.00 0.00 C ATOM 698 C GLY A 46 4.051 2.724 0.259 1.00 0.00 C ATOM 699 O GLY A 46 4.507 3.443 -0.629 1.00 0.00 O ATOM 0 H GLY A 46 5.091 2.290 3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.201 2.877 2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.192 4.248 1.780 1.00 0.00 H new ATOM 703 N ALA A 47 3.478 1.548 0.053 1.00 0.00 N ATOM 704 CA ALA A 47 3.345 1.005 -1.289 1.00 0.00 C ATOM 705 C ALA A 47 2.233 -0.046 -1.301 1.00 0.00 C ATOM 706 O ALA A 47 2.465 -1.204 -0.956 1.00 0.00 O ATOM 707 CB ALA A 47 4.689 0.437 -1.746 1.00 0.00 C ATOM 0 H ALA A 47 3.100 0.955 0.792 1.00 0.00 H new ATOM 0 HA ALA A 47 3.066 1.788 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.589 0.030 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.437 1.230 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.000 -0.354 -1.064 1.00 0.00 H new ATOM 713 N VAL A 48 1.050 0.395 -1.701 1.00 0.00 N ATOM 714 CA VAL A 48 -0.099 -0.493 -1.762 1.00 0.00 C ATOM 715 C VAL A 48 0.113 -1.516 -2.880 1.00 0.00 C ATOM 716 O VAL A 48 0.132 -2.720 -2.630 1.00 0.00 O ATOM 717 CB VAL A 48 -1.382 0.322 -1.932 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.607 -0.593 -2.006 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.533 1.349 -0.808 1.00 0.00 C ATOM 0 H VAL A 48 0.862 1.356 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.204 -1.047 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.311 0.865 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.506 0.012 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.506 -1.268 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.682 -1.175 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.453 1.915 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.571 0.835 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.682 2.030 -0.821 1.00 0.00 H new ATOM 729 N ASP A 49 0.266 -0.999 -4.091 1.00 0.00 N ATOM 730 CA ASP A 49 0.476 -1.852 -5.248 1.00 0.00 C ATOM 731 C ASP A 49 1.418 -2.996 -4.869 1.00 0.00 C ATOM 732 O ASP A 49 1.215 -4.136 -5.284 1.00 0.00 O ATOM 733 CB ASP A 49 1.116 -1.073 -6.398 1.00 0.00 C ATOM 734 CG ASP A 49 0.885 -1.666 -7.789 1.00 0.00 C ATOM 735 OD1 ASP A 49 -0.210 -2.234 -7.989 1.00 0.00 O ATOM 736 OD2 ASP A 49 1.810 -1.539 -8.621 1.00 0.00 O ATOM 0 H ASP A 49 0.249 0.000 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.494 -2.232 -5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.730 -0.054 -6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.190 -1.009 -6.220 1.00 0.00 H new ATOM 741 N ALA A 50 2.430 -2.652 -4.085 1.00 0.00 N ATOM 742 CA ALA A 50 3.404 -3.636 -3.646 1.00 0.00 C ATOM 743 C ALA A 50 2.841 -4.406 -2.450 1.00 0.00 C ATOM 744 O ALA A 50 2.707 -5.628 -2.502 1.00 0.00 O ATOM 745 CB ALA A 50 4.725 -2.936 -3.319 1.00 0.00 C ATOM 0 H ALA A 50 2.596 -1.706 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 50 3.604 -4.358 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.456 -3.674 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.098 -2.428 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.563 -2.206 -2.526 1.00 0.00 H new ATOM 751 N THR A 51 2.527 -3.661 -1.401 1.00 0.00 N ATOM 752 CA THR A 51 1.981 -4.259 -0.195 1.00 0.00 C ATOM 753 C THR A 51 0.890 -5.271 -0.548 1.00 0.00 C ATOM 754 O THR A 51 0.630 -6.201 0.215 1.00 0.00 O ATOM 755 CB THR A 51 1.491 -3.129 0.713 1.00 0.00 C ATOM 756 OG1 THR A 51 2.682 -2.443 1.088 1.00 0.00 O ATOM 757 CG2 THR A 51 0.925 -3.645 2.037 1.00 0.00 C ATOM 0 H THR A 51 2.640 -2.648 -1.361 1.00 0.00 H new ATOM 0 HA THR A 51 2.741 -4.823 0.345 1.00 0.00 H new ATOM 0 HB THR A 51 0.727 -2.551 0.193 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.800 -1.656 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.592 -2.803 2.643 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.081 -4.306 1.839 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.698 -4.195 2.574 1.00 0.00 H new ATOM 765 N ILE A 52 0.280 -5.057 -1.704 1.00 0.00 N ATOM 766 CA ILE A 52 -0.777 -5.939 -2.168 1.00 0.00 C ATOM 767 C ILE A 52 -0.166 -7.267 -2.619 1.00 0.00 C ATOM 768 O ILE A 52 -0.333 -8.289 -1.955 1.00 0.00 O ATOM 769 CB ILE A 52 -1.616 -5.250 -3.246 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.585 -4.241 -2.626 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.340 -6.278 -4.118 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.218 -3.356 -3.701 1.00 0.00 C ATOM 0 H ILE A 52 0.498 -4.285 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.468 -6.165 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.943 -4.692 -3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.366 -4.770 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.056 -3.620 -1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.929 -5.762 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.608 -6.923 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.000 -6.883 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.902 -2.648 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.436 -2.810 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.767 -3.978 -4.408 1.00 0.00 H new ATOM 784 N ASP A 53 0.529 -7.209 -3.745 1.00 0.00 N ATOM 785 CA ASP A 53 1.166 -8.395 -4.293 1.00 0.00 C ATOM 786 C ASP A 53 1.778 -9.212 -3.154 1.00 0.00 C ATOM 787 O ASP A 53 1.730 -10.441 -3.172 1.00 0.00 O ATOM 788 CB ASP A 53 2.289 -8.019 -5.262 1.00 0.00 C ATOM 789 CG ASP A 53 2.562 -9.044 -6.365 1.00 0.00 C ATOM 790 OD1 ASP A 53 3.387 -9.947 -6.109 1.00 0.00 O ATOM 791 OD2 ASP A 53 1.939 -8.901 -7.439 1.00 0.00 O ATOM 0 H ASP A 53 0.665 -6.360 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 53 0.408 -8.970 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.043 -7.064 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.206 -7.869 -4.692 1.00 0.00 H new ATOM 796 N GLN A 54 2.340 -8.497 -2.190 1.00 0.00 N ATOM 797 CA GLN A 54 2.960 -9.141 -1.045 1.00 0.00 C ATOM 798 C GLN A 54 1.959 -10.064 -0.348 1.00 0.00 C ATOM 799 O GLN A 54 2.092 -11.286 -0.407 1.00 0.00 O ATOM 800 CB GLN A 54 3.520 -8.103 -0.070 1.00 0.00 C ATOM 801 CG GLN A 54 5.006 -8.351 0.200 1.00 0.00 C ATOM 802 CD GLN A 54 5.214 -9.662 0.961 1.00 0.00 C ATOM 803 OE1 GLN A 54 4.431 -10.594 0.869 1.00 0.00 O ATOM 804 NE2 GLN A 54 6.309 -9.682 1.715 1.00 0.00 N ATOM 0 H GLN A 54 2.379 -7.478 -2.179 1.00 0.00 H new ATOM 0 HA GLN A 54 3.794 -9.746 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.383 -7.102 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.965 -8.142 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.550 -8.384 -0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.418 -7.523 0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.922 -8.867 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.536 -10.512 2.262 1.00 0.00 H new ATOM 813 N LEU A 55 0.980 -9.446 0.295 1.00 0.00 N ATOM 814 CA LEU A 55 -0.043 -10.197 1.002 1.00 0.00 C ATOM 815 C LEU A 55 -0.664 -11.223 0.053 1.00 0.00 C ATOM 816 O LEU A 55 -1.020 -12.324 0.470 1.00 0.00 O ATOM 817 CB LEU A 55 -1.063 -9.248 1.635 1.00 0.00 C ATOM 818 CG LEU A 55 -0.492 -8.165 2.553 1.00 0.00 C ATOM 819 CD1 LEU A 55 -1.542 -7.094 2.856 1.00 0.00 C ATOM 820 CD2 LEU A 55 0.086 -8.778 3.830 1.00 0.00 C ATOM 0 H LEU A 55 0.873 -8.433 0.341 1.00 0.00 H new ATOM 0 HA LEU A 55 0.397 -10.753 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.622 -8.761 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.776 -9.842 2.207 1.00 0.00 H new ATOM 0 HG LEU A 55 0.329 -7.673 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.111 -6.336 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.866 -6.628 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.399 -7.554 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.485 -7.987 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.699 -9.311 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.885 -9.473 3.571 1.00 0.00 H new ATOM 832 N LEU A 56 -0.775 -10.826 -1.206 1.00 0.00 N ATOM 833 CA LEU A 56 -1.347 -11.697 -2.219 1.00 0.00 C ATOM 834 C LEU A 56 -0.681 -13.072 -2.137 1.00 0.00 C ATOM 835 O LEU A 56 -1.342 -14.071 -1.858 1.00 0.00 O ATOM 836 CB LEU A 56 -1.251 -11.048 -3.601 1.00 0.00 C ATOM 837 CG LEU A 56 -2.513 -10.341 -4.099 1.00 0.00 C ATOM 838 CD1 LEU A 56 -2.198 -9.428 -5.285 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.613 -11.352 -4.430 1.00 0.00 C ATOM 0 H LEU A 56 -0.478 -9.912 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.411 -11.846 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.436 -10.325 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.980 -11.818 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.889 -9.707 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.112 -8.938 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.472 -8.674 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.785 -10.021 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.499 -10.824 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.262 -12.030 -5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.863 -11.924 -3.536 1.00 0.00 H new ATOM 851 N GLN A 57 0.621 -13.079 -2.386 1.00 0.00 N ATOM 852 CA GLN A 57 1.384 -14.315 -2.344 1.00 0.00 C ATOM 853 C GLN A 57 1.285 -14.954 -0.957 1.00 0.00 C ATOM 854 O GLN A 57 0.924 -16.123 -0.833 1.00 0.00 O ATOM 855 CB GLN A 57 2.843 -14.072 -2.732 1.00 0.00 C ATOM 856 CG GLN A 57 3.004 -14.016 -4.253 1.00 0.00 C ATOM 857 CD GLN A 57 4.279 -13.265 -4.642 1.00 0.00 C ATOM 858 OE1 GLN A 57 4.890 -12.571 -3.846 1.00 0.00 O ATOM 859 NE2 GLN A 57 4.645 -13.441 -5.909 1.00 0.00 N ATOM 0 H GLN A 57 1.166 -12.249 -2.617 1.00 0.00 H new ATOM 0 HA GLN A 57 0.959 -15.006 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.189 -13.137 -2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.468 -14.867 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.036 -15.028 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.138 -13.524 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.088 -14.036 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.482 -12.981 -6.266 1.00 0.00 H new ATOM 868 N MET A 58 1.611 -14.158 0.050 1.00 0.00 N ATOM 869 CA MET A 58 1.563 -14.630 1.424 1.00 0.00 C ATOM 870 C MET A 58 0.334 -15.511 1.658 1.00 0.00 C ATOM 871 O MET A 58 0.435 -16.574 2.267 1.00 0.00 O ATOM 872 CB MET A 58 1.522 -13.433 2.375 1.00 0.00 C ATOM 873 CG MET A 58 2.885 -12.743 2.447 1.00 0.00 C ATOM 874 SD MET A 58 3.240 -12.265 4.129 1.00 0.00 S ATOM 875 CE MET A 58 3.712 -10.562 3.876 1.00 0.00 C ATOM 0 H MET A 58 1.910 -13.189 -0.058 1.00 0.00 H new ATOM 0 HA MET A 58 2.456 -15.226 1.615 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.768 -12.722 2.038 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.225 -13.765 3.370 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.661 -13.414 2.080 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.892 -11.865 1.802 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.474 -9.982 4.768 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.783 -10.506 3.683 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.168 -10.156 3.023 1.00 0.00 H new ATOM 885 N ASN A 59 -0.799 -15.035 1.161 1.00 0.00 N ATOM 886 CA ASN A 59 -2.046 -15.766 1.308 1.00 0.00 C ATOM 887 C ASN A 59 -2.004 -17.020 0.433 1.00 0.00 C ATOM 888 O ASN A 59 -2.435 -18.092 0.856 1.00 0.00 O ATOM 889 CB ASN A 59 -3.238 -14.917 0.861 1.00 0.00 C ATOM 890 CG ASN A 59 -4.469 -15.203 1.724 1.00 0.00 C ATOM 891 OD1 ASN A 59 -5.261 -16.089 1.446 1.00 0.00 O ATOM 892 ND2 ASN A 59 -4.585 -14.407 2.782 1.00 0.00 N ATOM 0 H ASN A 59 -0.879 -14.152 0.656 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.162 -16.026 2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.981 -13.860 0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.466 -15.125 -0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.373 -14.518 3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.886 -13.685 2.956 1.00 0.00 H new ATOM 899 N LEU A 60 -1.481 -16.845 -0.772 1.00 0.00 N ATOM 900 CA LEU A 60 -1.377 -17.949 -1.711 1.00 0.00 C ATOM 901 C LEU A 60 -0.653 -19.117 -1.039 1.00 0.00 C ATOM 902 O LEU A 60 -1.232 -20.188 -0.856 1.00 0.00 O ATOM 903 CB LEU A 60 -0.720 -17.485 -3.013 1.00 0.00 C ATOM 904 CG LEU A 60 -1.662 -16.912 -4.073 1.00 0.00 C ATOM 905 CD1 LEU A 60 -1.103 -15.613 -4.658 1.00 0.00 C ATOM 906 CD2 LEU A 60 -1.963 -17.948 -5.158 1.00 0.00 C ATOM 0 H LEU A 60 -1.125 -15.955 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.368 -18.306 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.025 -16.728 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.186 -18.330 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.609 -16.667 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.792 -15.226 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.983 -14.878 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.135 -15.809 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.635 -17.514 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.034 -18.248 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.435 -18.821 -4.707 1.00 0.00 H new ATOM 918 N GLU A 61 0.601 -18.873 -0.689 1.00 0.00 N ATOM 919 CA GLU A 61 1.409 -19.892 -0.042 1.00 0.00 C ATOM 920 C GLU A 61 0.580 -20.645 1.000 1.00 0.00 C ATOM 921 O GLU A 61 -0.014 -20.032 1.887 1.00 0.00 O ATOM 922 CB GLU A 61 2.660 -19.279 0.592 1.00 0.00 C ATOM 923 CG GLU A 61 3.922 -20.011 0.133 1.00 0.00 C ATOM 924 CD GLU A 61 5.010 -19.955 1.208 1.00 0.00 C ATOM 925 OE1 GLU A 61 5.743 -18.943 1.221 1.00 0.00 O ATOM 926 OE2 GLU A 61 5.083 -20.926 1.992 1.00 0.00 O ATOM 0 H GLU A 61 1.077 -17.984 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 61 1.737 -20.603 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.729 -18.225 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.582 -19.327 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.682 -21.050 -0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.293 -19.562 -0.788 1.00 0.00 H new ATOM 933 N SER A 62 0.565 -21.962 0.859 1.00 0.00 N ATOM 934 CA SER A 62 -0.182 -22.805 1.777 1.00 0.00 C ATOM 935 C SER A 62 0.356 -22.635 3.199 1.00 0.00 C ATOM 936 O SER A 62 -0.393 -22.293 4.113 1.00 0.00 O ATOM 937 CB SER A 62 -0.113 -24.274 1.356 1.00 0.00 C ATOM 938 OG SER A 62 -1.385 -24.912 1.435 1.00 0.00 O ATOM 0 H SER A 62 1.058 -22.466 0.122 1.00 0.00 H new ATOM 0 HA SER A 62 -1.227 -22.496 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.264 -24.341 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.597 -24.801 1.993 1.00 0.00 H new ATOM 0 HG SER A 62 -1.299 -25.848 1.157 1.00 0.00 H new ATOM 944 N GLY A 63 1.650 -22.882 3.342 1.00 0.00 N ATOM 945 CA GLY A 63 2.297 -22.760 4.637 1.00 0.00 C ATOM 946 C GLY A 63 2.579 -24.138 5.240 1.00 0.00 C ATOM 947 O GLY A 63 2.675 -25.128 4.517 1.00 0.00 O ATOM 0 H GLY A 63 2.268 -23.166 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.231 -22.207 4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.662 -22.186 5.312 1.00 0.00 H new ATOM 951 N PRO A 64 2.709 -24.157 6.594 1.00 0.00 N ATOM 952 CA PRO A 64 2.979 -25.397 7.302 1.00 0.00 C ATOM 953 C PRO A 64 1.726 -26.271 7.375 1.00 0.00 C ATOM 954 O PRO A 64 1.222 -26.550 8.462 1.00 0.00 O ATOM 955 CB PRO A 64 3.484 -24.966 8.670 1.00 0.00 C ATOM 956 CG PRO A 64 3.040 -23.523 8.842 1.00 0.00 C ATOM 957 CD PRO A 64 2.603 -23.004 7.482 1.00 0.00 C ATOM 0 HA PRO A 64 3.718 -26.018 6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.071 -25.598 9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.569 -25.051 8.730 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.219 -23.459 9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.855 -22.917 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.583 -22.621 7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.241 -22.186 7.147 1.00 0.00 H new ATOM 965 N SER A 65 1.258 -26.678 6.204 1.00 0.00 N ATOM 966 CA SER A 65 0.073 -27.515 6.122 1.00 0.00 C ATOM 967 C SER A 65 0.457 -28.985 6.303 1.00 0.00 C ATOM 968 O SER A 65 1.574 -29.384 5.976 1.00 0.00 O ATOM 969 CB SER A 65 -0.650 -27.316 4.789 1.00 0.00 C ATOM 970 OG SER A 65 -1.873 -28.045 4.730 1.00 0.00 O ATOM 0 H SER A 65 1.678 -26.444 5.304 1.00 0.00 H new ATOM 0 HA SER A 65 -0.608 -27.223 6.921 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.853 -26.255 4.642 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.000 -27.632 3.973 1.00 0.00 H new ATOM 0 HG SER A 65 -2.305 -27.890 3.864 1.00 0.00 H new ATOM 976 N SER A 66 -0.490 -29.751 6.823 1.00 0.00 N ATOM 977 CA SER A 66 -0.265 -31.168 7.052 1.00 0.00 C ATOM 978 C SER A 66 0.393 -31.798 5.823 1.00 0.00 C ATOM 979 O SER A 66 -0.201 -31.836 4.746 1.00 0.00 O ATOM 980 CB SER A 66 -1.575 -31.888 7.379 1.00 0.00 C ATOM 981 OG SER A 66 -2.327 -31.201 8.375 1.00 0.00 O ATOM 0 H SER A 66 -1.415 -29.417 7.092 1.00 0.00 H new ATOM 0 HA SER A 66 0.401 -31.275 7.908 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.174 -31.981 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.357 -32.899 7.722 1.00 0.00 H new ATOM 0 HG SER A 66 -3.157 -31.691 8.555 1.00 0.00 H new ATOM 987 N GLY A 67 1.612 -32.277 6.024 1.00 0.00 N ATOM 988 CA GLY A 67 2.358 -32.903 4.946 1.00 0.00 C ATOM 989 C GLY A 67 2.064 -34.403 4.875 1.00 0.00 C ATOM 990 O GLY A 67 1.915 -34.959 3.788 1.00 0.00 O ATOM 0 H GLY A 67 2.102 -32.244 6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.098 -32.432 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.426 -32.745 5.098 1.00 0.00 H new TER 994 GLY A 67