USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 704 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+ -169:sc= -0.162 (180deg=-0.399) USER MOD Single : A 3 THR OG1 : rot -10:sc= 0.743 USER MOD Single : A 4 THR OG1 : rot -170:sc= -0.485 USER MOD Single : A 6 SER OG : rot -57:sc= 0.0498 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-3.9) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 48 SER OG : rot -50:sc= 1.42 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= 0.506 K(o=0.51,f=-2.5!) USER MOD Single : A 58 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.15) USER MOD Single : A 62 HIS : no HE2:sc= -18.5! C(o=-19!,f=-20!) USER MOD Single : A 63 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 64 GLN : amide:sc= -3.58 K(o=-3.6,f=-10!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -158:sc= -2.72! USER MOD Single : A 70 SER OG : rot 180:sc=-0.00841 USER MOD Single : A 71 ASN : amide:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.554 K(o=-0.55,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.219 K(o=-0.22,f=-4.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.826 K(o=-0.83,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.251 -21.618 -2.226 1.00 0.00 N ATOM 2 CA ALA A 1 -3.151 -20.367 -2.957 1.00 0.00 C ATOM 3 C ALA A 1 -2.050 -19.506 -2.336 1.00 0.00 C ATOM 4 O ALA A 1 -1.599 -18.535 -2.943 1.00 0.00 O ATOM 5 CB ALA A 1 -4.510 -19.665 -2.957 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.860 -22.278 -2.750 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.304 -22.033 -2.117 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.661 -21.440 -1.287 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.880 -20.551 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.435 -18.726 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.251 -20.306 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.815 -19.462 -1.930 1.00 0.00 H new ATOM 11 N LEU A 2 -1.649 -19.890 -1.133 1.00 0.00 N ATOM 12 CA LEU A 2 -0.609 -19.165 -0.424 1.00 0.00 C ATOM 13 C LEU A 2 0.747 -19.467 -1.064 1.00 0.00 C ATOM 14 O LEU A 2 1.224 -20.600 -1.012 1.00 0.00 O ATOM 15 CB LEU A 2 -0.664 -19.477 1.074 1.00 0.00 C ATOM 16 CG LEU A 2 -1.730 -18.727 1.875 1.00 0.00 C ATOM 17 CD1 LEU A 2 -1.218 -17.353 2.316 1.00 0.00 C ATOM 18 CD2 LEU A 2 -3.039 -18.627 1.090 1.00 0.00 C ATOM 0 H LEU A 2 -2.026 -20.694 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 2 -0.770 -18.090 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.831 -20.547 1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.311 -19.255 1.507 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.942 -19.298 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.995 -16.840 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.334 -17.478 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.960 -16.762 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.779 -18.089 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.864 -18.092 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.409 -19.628 0.870 1.00 0.00 H new ATOM 29 N THR A 3 1.330 -18.436 -1.656 1.00 0.00 N ATOM 30 CA THR A 3 2.621 -18.576 -2.306 1.00 0.00 C ATOM 31 C THR A 3 3.285 -17.208 -2.478 1.00 0.00 C ATOM 32 O THR A 3 2.649 -16.177 -2.270 1.00 0.00 O ATOM 33 CB THR A 3 2.406 -19.317 -3.628 1.00 0.00 C ATOM 34 OG1 THR A 3 2.180 -20.668 -3.236 1.00 0.00 O ATOM 35 CG2 THR A 3 3.678 -19.384 -4.475 1.00 0.00 C ATOM 0 H THR A 3 0.931 -17.498 -1.699 1.00 0.00 H new ATOM 0 HA THR A 3 3.309 -19.161 -1.696 1.00 0.00 H new ATOM 0 HB THR A 3 1.617 -18.824 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.386 -20.771 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.471 -19.920 -5.401 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.014 -18.373 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.457 -19.907 -3.920 1.00 0.00 H new ATOM 43 N THR A 4 4.554 -17.246 -2.856 1.00 0.00 N ATOM 44 CA THR A 4 5.311 -16.021 -3.057 1.00 0.00 C ATOM 45 C THR A 4 5.568 -15.792 -4.547 1.00 0.00 C ATOM 46 O THR A 4 5.511 -16.729 -5.341 1.00 0.00 O ATOM 47 CB THR A 4 6.593 -16.116 -2.226 1.00 0.00 C ATOM 48 OG1 THR A 4 7.509 -15.262 -2.905 1.00 0.00 O ATOM 49 CG2 THR A 4 7.243 -17.499 -2.308 1.00 0.00 C ATOM 0 H THR A 4 5.077 -18.104 -3.028 1.00 0.00 H new ATOM 0 HA THR A 4 4.751 -15.149 -2.718 1.00 0.00 H new ATOM 0 HB THR A 4 6.370 -15.881 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.407 -15.383 -2.532 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.148 -17.512 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.546 -18.251 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.498 -17.720 -3.344 1.00 0.00 H new ATOM 57 N ILE A 5 5.845 -14.541 -4.882 1.00 0.00 N ATOM 58 CA ILE A 5 6.111 -14.176 -6.263 1.00 0.00 C ATOM 59 C ILE A 5 7.070 -12.985 -6.297 1.00 0.00 C ATOM 60 O ILE A 5 6.969 -12.079 -5.470 1.00 0.00 O ATOM 61 CB ILE A 5 4.800 -13.932 -7.014 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.007 -12.957 -8.176 1.00 0.00 C ATOM 63 CG2 ILE A 5 3.700 -13.462 -6.060 1.00 0.00 C ATOM 64 CD1 ILE A 5 3.808 -12.973 -9.125 1.00 0.00 C ATOM 0 H ILE A 5 5.891 -13.766 -4.220 1.00 0.00 H new ATOM 0 HA ILE A 5 6.604 -14.996 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 5 4.471 -14.879 -7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.155 -11.949 -7.788 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.912 -13.224 -8.723 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.779 -13.296 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.529 -14.223 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.006 -12.532 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.981 -12.272 -9.941 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.678 -13.977 -9.530 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.909 -12.682 -8.581 1.00 0.00 H new ATOM 75 N SER A 6 7.979 -13.025 -7.259 1.00 0.00 N ATOM 76 CA SER A 6 8.956 -11.960 -7.411 1.00 0.00 C ATOM 77 C SER A 6 8.247 -10.636 -7.700 1.00 0.00 C ATOM 78 O SER A 6 7.128 -10.626 -8.212 1.00 0.00 O ATOM 79 CB SER A 6 9.953 -12.282 -8.526 1.00 0.00 C ATOM 80 OG SER A 6 10.528 -13.576 -8.371 1.00 0.00 O ATOM 0 H SER A 6 8.060 -13.779 -7.942 1.00 0.00 H new ATOM 0 HA SER A 6 9.512 -11.871 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.449 -12.222 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.744 -11.532 -8.532 1.00 0.00 H new ATOM 0 HG SER A 6 10.960 -13.639 -7.494 1.00 0.00 H new ATOM 85 N PRO A 7 8.942 -9.522 -7.349 1.00 0.00 N ATOM 86 CA PRO A 7 8.390 -8.196 -7.565 1.00 0.00 C ATOM 87 C PRO A 7 8.452 -7.810 -9.044 1.00 0.00 C ATOM 88 O PRO A 7 7.976 -6.743 -9.432 1.00 0.00 O ATOM 89 CB PRO A 7 9.214 -7.277 -6.677 1.00 0.00 C ATOM 90 CG PRO A 7 10.487 -8.041 -6.355 1.00 0.00 C ATOM 91 CD PRO A 7 10.268 -9.496 -6.740 1.00 0.00 C ATOM 0 HA PRO A 7 7.333 -8.134 -7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.439 -6.340 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.670 -7.022 -5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.332 -7.624 -6.904 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.724 -7.958 -5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.031 -9.840 -7.438 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.316 -10.148 -5.868 1.00 0.00 H new ATOM 96 N HIS A 8 9.042 -8.699 -9.831 1.00 0.00 N ATOM 97 CA HIS A 8 9.172 -8.465 -11.258 1.00 0.00 C ATOM 98 C HIS A 8 7.873 -8.858 -11.964 1.00 0.00 C ATOM 99 O HIS A 8 7.316 -8.074 -12.730 1.00 0.00 O ATOM 100 CB HIS A 8 10.396 -9.192 -11.819 1.00 0.00 C ATOM 101 CG HIS A 8 10.282 -9.549 -13.281 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.518 -8.637 -14.296 1.00 0.00 N ATOM 103 CD2 HIS A 8 9.955 -10.725 -13.890 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.338 -9.249 -15.458 1.00 0.00 C ATOM 105 NE2 HIS A 8 9.988 -10.542 -15.204 1.00 0.00 N ATOM 0 H HIS A 8 9.435 -9.582 -9.506 1.00 0.00 H new ATOM 0 HA HIS A 8 9.337 -7.403 -11.442 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.276 -8.564 -11.677 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.559 -10.104 -11.245 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.710 -11.649 -13.388 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.449 -8.802 -16.435 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.785 -11.252 -15.908 1.00 0.00 H new ATOM 112 N ASP A 9 7.429 -10.074 -11.680 1.00 0.00 N ATOM 113 CA ASP A 9 6.206 -10.582 -12.278 1.00 0.00 C ATOM 114 C ASP A 9 5.001 -10.005 -11.532 1.00 0.00 C ATOM 115 O ASP A 9 3.890 -9.986 -12.061 1.00 0.00 O ATOM 116 CB ASP A 9 6.136 -12.108 -12.177 1.00 0.00 C ATOM 117 CG ASP A 9 6.382 -12.853 -13.490 1.00 0.00 C ATOM 118 OD1 ASP A 9 7.036 -12.335 -14.407 1.00 0.00 O ATOM 119 OD2 ASP A 9 5.864 -14.033 -13.553 1.00 0.00 O ATOM 0 H ASP A 9 7.894 -10.722 -11.044 1.00 0.00 H new ATOM 0 HA ASP A 9 6.197 -10.288 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.869 -12.443 -11.443 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.154 -12.388 -11.796 1.00 0.00 H new ATOM 124 N ALA A 10 5.261 -9.546 -10.317 1.00 0.00 N ATOM 125 CA ALA A 10 4.212 -8.968 -9.495 1.00 0.00 C ATOM 126 C ALA A 10 3.913 -7.548 -9.980 1.00 0.00 C ATOM 127 O ALA A 10 2.760 -7.120 -9.981 1.00 0.00 O ATOM 128 CB ALA A 10 4.638 -9.004 -8.025 1.00 0.00 C ATOM 0 H ALA A 10 6.183 -9.563 -9.882 1.00 0.00 H new ATOM 0 HA ALA A 10 3.293 -9.547 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.851 -8.570 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.810 -10.037 -7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.556 -8.431 -7.898 1.00 0.00 H new ATOM 134 N GLN A 11 4.970 -6.859 -10.381 1.00 0.00 N ATOM 135 CA GLN A 11 4.835 -5.497 -10.867 1.00 0.00 C ATOM 136 C GLN A 11 3.828 -5.441 -12.018 1.00 0.00 C ATOM 137 O GLN A 11 3.331 -4.371 -12.362 1.00 0.00 O ATOM 138 CB GLN A 11 6.190 -4.931 -11.297 1.00 0.00 C ATOM 139 CG GLN A 11 6.021 -3.594 -12.023 1.00 0.00 C ATOM 140 CD GLN A 11 7.374 -3.041 -12.477 1.00 0.00 C ATOM 141 OE1 GLN A 11 8.377 -3.734 -12.506 1.00 0.00 O ATOM 142 NE2 GLN A 11 7.344 -1.760 -12.828 1.00 0.00 N ATOM 0 H GLN A 11 5.925 -7.219 -10.379 1.00 0.00 H new ATOM 0 HA GLN A 11 4.461 -4.877 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.826 -4.796 -10.422 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.694 -5.643 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.369 -3.725 -12.887 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.534 -2.877 -11.362 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.469 -1.238 -12.780 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.196 -1.298 -13.146 1.00 0.00 H new ATOM 149 N GLU A 12 3.556 -6.609 -12.581 1.00 0.00 N ATOM 150 CA GLU A 12 2.617 -6.708 -13.685 1.00 0.00 C ATOM 151 C GLU A 12 1.198 -6.929 -13.158 1.00 0.00 C ATOM 152 O GLU A 12 0.349 -6.045 -13.264 1.00 0.00 O ATOM 153 CB GLU A 12 3.022 -7.823 -14.651 1.00 0.00 C ATOM 154 CG GLU A 12 1.831 -8.276 -15.497 1.00 0.00 C ATOM 155 CD GLU A 12 2.261 -8.577 -16.934 1.00 0.00 C ATOM 156 OE1 GLU A 12 3.236 -7.990 -17.425 1.00 0.00 O ATOM 157 OE2 GLU A 12 1.543 -9.458 -17.545 1.00 0.00 O ATOM 0 H GLU A 12 3.970 -7.496 -12.293 1.00 0.00 H new ATOM 0 HA GLU A 12 2.636 -5.768 -14.237 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.822 -7.472 -15.302 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.417 -8.670 -14.089 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.383 -9.166 -15.054 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.065 -7.500 -15.498 1.00 0.00 H new ATOM 163 N LEU A 13 0.986 -8.111 -12.601 1.00 0.00 N ATOM 164 CA LEU A 13 -0.317 -8.459 -12.057 1.00 0.00 C ATOM 165 C LEU A 13 -0.884 -7.258 -11.298 1.00 0.00 C ATOM 166 O LEU A 13 -2.040 -6.885 -11.492 1.00 0.00 O ATOM 167 CB LEU A 13 -0.222 -9.731 -11.212 1.00 0.00 C ATOM 168 CG LEU A 13 0.909 -9.770 -10.181 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.406 -9.354 -8.797 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.583 -11.144 -10.158 1.00 0.00 C ATOM 0 H LEU A 13 1.693 -8.841 -12.514 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.017 -8.689 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.168 -9.867 -10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.104 -10.581 -11.884 1.00 0.00 H new ATOM 0 HG LEU A 13 1.667 -9.045 -10.478 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.230 -9.391 -8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.011 -8.339 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.382 -10.036 -8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.383 -11.145 -9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.848 -11.906 -9.899 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.999 -11.362 -11.142 1.00 0.00 H new ATOM 181 N ILE A 14 -0.044 -6.685 -10.447 1.00 0.00 N ATOM 182 CA ILE A 14 -0.448 -5.533 -9.659 1.00 0.00 C ATOM 183 C ILE A 14 -1.062 -4.478 -10.581 1.00 0.00 C ATOM 184 O ILE A 14 -2.065 -3.854 -10.235 1.00 0.00 O ATOM 185 CB ILE A 14 0.727 -5.014 -8.827 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.514 -5.296 -7.339 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.977 -3.529 -9.099 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.838 -5.639 -6.651 1.00 0.00 C ATOM 0 H ILE A 14 0.914 -6.997 -10.287 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.218 -5.815 -8.941 1.00 0.00 H new ATOM 0 HB ILE A 14 1.624 -5.553 -9.131 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.066 -4.425 -6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.187 -6.122 -7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.817 -3.185 -8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.206 -3.386 -10.155 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.086 -2.957 -8.841 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.659 -5.835 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.271 -6.525 -7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.528 -4.802 -6.753 1.00 0.00 H new ATOM 199 N ALA A 15 -0.436 -4.311 -11.736 1.00 0.00 N ATOM 200 CA ALA A 15 -0.909 -3.343 -12.711 1.00 0.00 C ATOM 201 C ALA A 15 -1.934 -4.010 -13.631 1.00 0.00 C ATOM 202 O ALA A 15 -2.247 -3.488 -14.700 1.00 0.00 O ATOM 203 CB ALA A 15 0.282 -2.771 -13.482 1.00 0.00 C ATOM 0 H ALA A 15 0.395 -4.830 -12.019 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.406 -2.510 -12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.073 -2.045 -14.213 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.964 -2.282 -12.787 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.804 -3.578 -13.996 1.00 0.00 H new ATOM 209 N ARG A 16 -2.429 -5.155 -13.181 1.00 0.00 N ATOM 210 CA ARG A 16 -3.411 -5.898 -13.950 1.00 0.00 C ATOM 211 C ARG A 16 -4.726 -5.999 -13.175 1.00 0.00 C ATOM 212 O ARG A 16 -5.804 -5.955 -13.766 1.00 0.00 O ATOM 213 CB ARG A 16 -2.908 -7.307 -14.272 1.00 0.00 C ATOM 214 CG ARG A 16 -1.625 -7.253 -15.104 1.00 0.00 C ATOM 215 CD ARG A 16 -1.940 -7.293 -16.601 1.00 0.00 C ATOM 216 NE ARG A 16 -0.749 -7.737 -17.358 1.00 0.00 N ATOM 217 CZ ARG A 16 -0.524 -7.443 -18.656 1.00 0.00 C ATOM 218 NH1 ARG A 16 -1.410 -6.700 -19.354 1.00 0.00 N ATOM 219 NH2 ARG A 16 0.575 -7.892 -19.233 1.00 0.00 N ATOM 0 H ARG A 16 -2.168 -5.585 -12.294 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.576 -5.361 -14.884 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.723 -7.852 -13.346 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.676 -7.856 -14.817 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.073 -6.343 -14.869 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.982 -8.093 -14.842 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.773 -7.971 -16.788 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.250 -6.305 -16.942 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.054 -8.301 -16.868 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.257 -6.357 -18.901 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.232 -6.482 -20.335 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.239 -8.452 -18.699 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.760 -7.679 -20.213 1.00 0.00 H new ATOM 229 N GLY A 17 -4.595 -6.132 -11.864 1.00 0.00 N ATOM 230 CA GLY A 17 -5.759 -6.239 -11.002 1.00 0.00 C ATOM 231 C GLY A 17 -5.365 -6.720 -9.604 1.00 0.00 C ATOM 232 O GLY A 17 -6.025 -6.388 -8.620 1.00 0.00 O ATOM 0 H GLY A 17 -3.699 -6.168 -11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.253 -5.270 -10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.477 -6.932 -11.440 1.00 0.00 H new ATOM 236 N ALA A 18 -4.290 -7.493 -9.560 1.00 0.00 N ATOM 237 CA ALA A 18 -3.800 -8.023 -8.300 1.00 0.00 C ATOM 238 C ALA A 18 -3.916 -6.946 -7.219 1.00 0.00 C ATOM 239 O ALA A 18 -3.253 -5.914 -7.293 1.00 0.00 O ATOM 240 CB ALA A 18 -2.363 -8.518 -8.478 1.00 0.00 C ATOM 0 H ALA A 18 -3.744 -7.765 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.401 -8.875 -7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.995 -8.916 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.339 -9.302 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.729 -7.689 -8.794 1.00 0.00 H new ATOM 246 N LYS A 19 -4.765 -7.224 -6.240 1.00 0.00 N ATOM 247 CA LYS A 19 -4.977 -6.292 -5.146 1.00 0.00 C ATOM 248 C LYS A 19 -4.032 -6.640 -3.994 1.00 0.00 C ATOM 249 O LYS A 19 -4.111 -7.730 -3.429 1.00 0.00 O ATOM 250 CB LYS A 19 -6.454 -6.265 -4.744 1.00 0.00 C ATOM 251 CG LYS A 19 -7.044 -4.864 -4.920 1.00 0.00 C ATOM 252 CD LYS A 19 -6.756 -4.320 -6.321 1.00 0.00 C ATOM 253 CE LYS A 19 -5.925 -3.038 -6.252 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.524 -1.985 -7.102 1.00 0.00 N ATOM 0 H LYS A 19 -5.314 -8.082 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.737 -5.276 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.013 -6.978 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.558 -6.580 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.121 -4.895 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.624 -4.192 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.224 -5.071 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.695 -4.121 -6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.866 -2.691 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.905 -3.241 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.947 -1.122 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.558 -2.313 -8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.489 -1.780 -6.772 1.00 0.00 H new ATOM 263 N LEU A 20 -3.159 -5.695 -3.680 1.00 0.00 N ATOM 264 CA LEU A 20 -2.200 -5.887 -2.606 1.00 0.00 C ATOM 265 C LEU A 20 -2.660 -5.109 -1.371 1.00 0.00 C ATOM 266 O LEU A 20 -3.111 -3.970 -1.484 1.00 0.00 O ATOM 267 CB LEU A 20 -0.791 -5.521 -3.074 1.00 0.00 C ATOM 268 CG LEU A 20 0.262 -5.366 -1.975 1.00 0.00 C ATOM 269 CD1 LEU A 20 0.458 -6.678 -1.214 1.00 0.00 C ATOM 270 CD2 LEU A 20 1.577 -4.832 -2.546 1.00 0.00 C ATOM 0 H LEU A 20 -3.096 -4.793 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.153 -6.938 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.450 -6.287 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.846 -4.586 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.100 -4.629 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.212 -6.540 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.484 -6.977 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.787 -7.454 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.308 -4.731 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.956 -5.525 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.406 -3.858 -3.005 1.00 0.00 H new ATOM 281 N ILE A 21 -2.531 -5.756 -0.222 1.00 0.00 N ATOM 282 CA ILE A 21 -2.927 -5.139 1.032 1.00 0.00 C ATOM 283 C ILE A 21 -1.676 -4.733 1.813 1.00 0.00 C ATOM 284 O ILE A 21 -0.591 -5.260 1.573 1.00 0.00 O ATOM 285 CB ILE A 21 -3.865 -6.063 1.810 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.972 -6.609 0.905 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.432 -5.357 3.045 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.606 -5.489 0.078 1.00 0.00 C ATOM 0 H ILE A 21 -2.158 -6.701 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.496 -4.228 0.846 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.287 -6.916 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.561 -7.369 0.240 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.736 -7.095 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.096 -6.036 3.580 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.614 -5.058 3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.990 -4.474 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.389 -5.904 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.037 -4.743 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.844 -5.021 -0.545 1.00 0.00 H new ATOM 299 N ASP A 22 -1.870 -3.800 2.734 1.00 0.00 N ATOM 300 CA ASP A 22 -0.770 -3.317 3.553 1.00 0.00 C ATOM 301 C ASP A 22 -0.944 -3.828 4.984 1.00 0.00 C ATOM 302 O ASP A 22 -1.296 -3.064 5.881 1.00 0.00 O ATOM 303 CB ASP A 22 -0.746 -1.788 3.596 1.00 0.00 C ATOM 304 CG ASP A 22 0.132 -1.124 2.532 1.00 0.00 C ATOM 305 OD1 ASP A 22 1.369 -1.174 2.603 1.00 0.00 O ATOM 306 OD2 ASP A 22 -0.514 -0.529 1.588 1.00 0.00 O ATOM 0 H ASP A 22 -2.772 -3.366 2.931 1.00 0.00 H new ATOM 0 HA ASP A 22 0.161 -3.680 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.766 -1.420 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.399 -1.473 4.580 1.00 0.00 H new ATOM 311 N ILE A 23 -0.688 -5.117 5.154 1.00 0.00 N ATOM 312 CA ILE A 23 -0.811 -5.739 6.461 1.00 0.00 C ATOM 313 C ILE A 23 0.437 -5.425 7.290 1.00 0.00 C ATOM 314 O ILE A 23 1.131 -6.334 7.741 1.00 0.00 O ATOM 315 CB ILE A 23 -1.093 -7.235 6.318 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.176 -8.000 5.935 1.00 0.00 C ATOM 317 CG2 ILE A 23 -2.233 -7.487 5.328 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.579 -8.980 7.039 1.00 0.00 C ATOM 0 H ILE A 23 -0.396 -5.748 4.408 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.664 -5.327 7.000 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.417 -7.614 7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.011 -8.543 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.989 -7.296 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.413 -8.559 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.138 -6.994 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.961 -7.088 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.483 -9.511 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.767 -8.431 7.962 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.226 -9.697 7.201 1.00 0.00 H new ATOM 329 N ARG A 24 0.683 -4.134 7.465 1.00 0.00 N ATOM 330 CA ARG A 24 1.834 -3.690 8.231 1.00 0.00 C ATOM 331 C ARG A 24 1.421 -2.604 9.227 1.00 0.00 C ATOM 332 O ARG A 24 1.093 -2.901 10.374 1.00 0.00 O ATOM 333 CB ARG A 24 2.929 -3.141 7.314 1.00 0.00 C ATOM 334 CG ARG A 24 2.341 -2.667 5.983 1.00 0.00 C ATOM 335 CD ARG A 24 3.266 -1.653 5.306 1.00 0.00 C ATOM 336 NE ARG A 24 2.493 -0.463 4.887 1.00 0.00 N ATOM 337 CZ ARG A 24 2.904 0.414 3.947 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.087 0.242 3.320 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.133 1.443 3.650 1.00 0.00 N ATOM 0 H ARG A 24 0.105 -3.383 7.089 1.00 0.00 H new ATOM 0 HA ARG A 24 2.226 -4.553 8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.439 -2.313 7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.677 -3.913 7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.188 -3.522 5.324 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.363 -2.216 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.060 -1.358 5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.746 -2.108 4.440 1.00 0.00 H new ATOM 0 HE ARG A 24 1.593 -0.295 5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.678 -0.555 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.390 0.909 2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.241 1.567 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.429 2.115 2.942 1.00 0.00 H new ATOM 349 N ASP A 25 1.451 -1.368 8.751 1.00 0.00 N ATOM 350 CA ASP A 25 1.083 -0.236 9.584 1.00 0.00 C ATOM 351 C ASP A 25 0.510 0.876 8.703 1.00 0.00 C ATOM 352 O ASP A 25 0.349 0.697 7.498 1.00 0.00 O ATOM 353 CB ASP A 25 2.302 0.325 10.319 1.00 0.00 C ATOM 354 CG ASP A 25 2.263 0.176 11.842 1.00 0.00 C ATOM 355 OD1 ASP A 25 2.655 -0.863 12.392 1.00 0.00 O ATOM 356 OD2 ASP A 25 1.801 1.199 12.478 1.00 0.00 O ATOM 0 H ASP A 25 1.725 -1.126 7.799 1.00 0.00 H new ATOM 0 HA ASP A 25 0.348 -0.578 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.196 -0.173 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.400 1.383 10.075 1.00 0.00 H new ATOM 361 N ALA A 26 0.218 2.001 9.340 1.00 0.00 N ATOM 362 CA ALA A 26 -0.334 3.142 8.630 1.00 0.00 C ATOM 363 C ALA A 26 0.772 4.172 8.390 1.00 0.00 C ATOM 364 O ALA A 26 0.914 4.689 7.283 1.00 0.00 O ATOM 365 CB ALA A 26 -1.506 3.720 9.425 1.00 0.00 C ATOM 0 H ALA A 26 0.354 2.146 10.340 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.719 2.838 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.920 4.576 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.277 2.958 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.157 4.038 10.408 1.00 0.00 H new ATOM 371 N ASP A 27 1.527 4.439 9.446 1.00 0.00 N ATOM 372 CA ASP A 27 2.616 5.397 9.364 1.00 0.00 C ATOM 373 C ASP A 27 3.417 5.144 8.085 1.00 0.00 C ATOM 374 O ASP A 27 3.826 6.087 7.409 1.00 0.00 O ATOM 375 CB ASP A 27 3.567 5.253 10.553 1.00 0.00 C ATOM 376 CG ASP A 27 3.077 5.894 11.854 1.00 0.00 C ATOM 377 OD1 ASP A 27 2.215 5.342 12.553 1.00 0.00 O ATOM 378 OD2 ASP A 27 3.628 7.024 12.145 1.00 0.00 O ATOM 0 H ASP A 27 1.406 4.008 10.363 1.00 0.00 H new ATOM 0 HA ASP A 27 2.185 6.398 9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.743 4.192 10.732 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.527 5.695 10.287 1.00 0.00 H new ATOM 383 N GLU A 28 3.616 3.868 7.792 1.00 0.00 N ATOM 384 CA GLU A 28 4.361 3.480 6.606 1.00 0.00 C ATOM 385 C GLU A 28 3.826 4.218 5.378 1.00 0.00 C ATOM 386 O GLU A 28 4.550 4.986 4.746 1.00 0.00 O ATOM 387 CB GLU A 28 4.312 1.965 6.400 1.00 0.00 C ATOM 388 CG GLU A 28 4.645 1.224 7.696 1.00 0.00 C ATOM 389 CD GLU A 28 5.773 1.924 8.454 1.00 0.00 C ATOM 390 OE1 GLU A 28 5.526 2.553 9.494 1.00 0.00 O ATOM 391 OE2 GLU A 28 6.944 1.798 7.927 1.00 0.00 O ATOM 0 H GLU A 28 3.274 3.089 8.355 1.00 0.00 H new ATOM 0 HA GLU A 28 5.405 3.761 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.320 1.673 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.018 1.677 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.757 1.170 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.937 0.199 7.468 1.00 0.00 H new ATOM 397 N TYR A 29 2.561 3.961 5.077 1.00 0.00 N ATOM 398 CA TYR A 29 1.921 4.592 3.935 1.00 0.00 C ATOM 399 C TYR A 29 2.323 6.064 3.826 1.00 0.00 C ATOM 400 O TYR A 29 2.476 6.589 2.724 1.00 0.00 O ATOM 401 CB TYR A 29 0.416 4.505 4.195 1.00 0.00 C ATOM 402 CG TYR A 29 -0.436 5.276 3.185 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.841 4.666 2.015 1.00 0.00 C ATOM 404 CD2 TYR A 29 -0.800 6.582 3.443 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.642 5.392 1.065 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.601 7.308 2.493 1.00 0.00 C ATOM 407 CZ TYR A 29 -1.983 6.677 1.350 1.00 0.00 C ATOM 408 OH TYR A 29 -2.740 7.364 0.452 1.00 0.00 O ATOM 0 H TYR A 29 1.963 3.325 5.604 1.00 0.00 H new ATOM 0 HA TYR A 29 2.215 4.099 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.116 3.457 4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.208 4.885 5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.557 3.644 1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.484 7.060 4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.965 4.926 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.892 8.330 2.683 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.907 8.269 0.789 1.00 0.00 H new ATOM 417 N LEU A 30 2.482 6.689 4.983 1.00 0.00 N ATOM 418 CA LEU A 30 2.863 8.090 5.031 1.00 0.00 C ATOM 419 C LEU A 30 4.212 8.272 4.333 1.00 0.00 C ATOM 420 O LEU A 30 4.271 8.755 3.203 1.00 0.00 O ATOM 421 CB LEU A 30 2.842 8.602 6.473 1.00 0.00 C ATOM 422 CG LEU A 30 2.768 10.121 6.645 1.00 0.00 C ATOM 423 CD1 LEU A 30 2.224 10.491 8.025 1.00 0.00 C ATOM 424 CD2 LEU A 30 4.126 10.770 6.370 1.00 0.00 C ATOM 0 H LEU A 30 2.354 6.251 5.895 1.00 0.00 H new ATOM 0 HA LEU A 30 2.140 8.700 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.988 8.157 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.738 8.242 6.978 1.00 0.00 H new ATOM 0 HG LEU A 30 2.068 10.515 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.182 11.576 8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.223 10.077 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.879 10.084 8.795 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.046 11.849 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.866 10.375 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.435 10.549 5.348 1.00 0.00 H new ATOM 435 N ARG A 31 5.264 7.875 5.035 1.00 0.00 N ATOM 436 CA ARG A 31 6.609 7.988 4.496 1.00 0.00 C ATOM 437 C ARG A 31 6.690 7.314 3.125 1.00 0.00 C ATOM 438 O ARG A 31 6.773 7.990 2.101 1.00 0.00 O ATOM 439 CB ARG A 31 7.633 7.346 5.434 1.00 0.00 C ATOM 440 CG ARG A 31 8.200 8.376 6.413 1.00 0.00 C ATOM 441 CD ARG A 31 9.730 8.378 6.379 1.00 0.00 C ATOM 442 NE ARG A 31 10.267 8.483 7.755 1.00 0.00 N ATOM 443 CZ ARG A 31 10.145 9.578 8.533 1.00 0.00 C ATOM 444 NH1 ARG A 31 9.501 10.675 8.078 1.00 0.00 N ATOM 445 NH2 ARG A 31 10.663 9.562 9.747 1.00 0.00 N ATOM 0 H ARG A 31 5.212 7.475 5.972 1.00 0.00 H new ATOM 0 HA ARG A 31 6.839 9.049 4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.165 6.532 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.443 6.909 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.825 9.368 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.855 8.152 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.093 7.465 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.087 9.212 5.776 1.00 0.00 H new ATOM 0 HE ARG A 31 10.760 7.677 8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.102 10.680 7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.413 11.499 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.147 8.730 10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.579 10.382 10.348 1.00 0.00 H new ATOM 455 N GLU A 32 6.662 5.989 3.151 1.00 0.00 N ATOM 456 CA GLU A 32 6.732 5.215 1.922 1.00 0.00 C ATOM 457 C GLU A 32 5.366 4.607 1.600 1.00 0.00 C ATOM 458 O GLU A 32 4.410 4.786 2.353 1.00 0.00 O ATOM 459 CB GLU A 32 7.807 4.132 2.017 1.00 0.00 C ATOM 460 CG GLU A 32 9.208 4.746 2.008 1.00 0.00 C ATOM 461 CD GLU A 32 10.101 4.093 3.065 1.00 0.00 C ATOM 462 OE1 GLU A 32 10.372 4.705 4.110 1.00 0.00 O ATOM 463 OE2 GLU A 32 10.516 2.908 2.772 1.00 0.00 O ATOM 0 H GLU A 32 6.592 5.432 4.003 1.00 0.00 H new ATOM 0 HA GLU A 32 7.010 5.885 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.666 3.554 2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.705 3.439 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.656 4.623 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.140 5.818 2.196 1.00 0.00 H new ATOM 469 N HIS A 33 5.319 3.899 0.482 1.00 0.00 N ATOM 470 CA HIS A 33 4.085 3.262 0.051 1.00 0.00 C ATOM 471 C HIS A 33 4.383 1.840 -0.429 1.00 0.00 C ATOM 472 O HIS A 33 4.902 1.021 0.328 1.00 0.00 O ATOM 473 CB HIS A 33 3.377 4.109 -1.008 1.00 0.00 C ATOM 474 CG HIS A 33 1.991 3.625 -1.357 1.00 0.00 C ATOM 475 ND1 HIS A 33 1.544 3.504 -2.661 1.00 0.00 N ATOM 476 CD2 HIS A 33 0.958 3.229 -0.558 1.00 0.00 C ATOM 477 CE1 HIS A 33 0.297 3.058 -2.637 1.00 0.00 C ATOM 478 NE2 HIS A 33 -0.065 2.889 -1.333 1.00 0.00 N ATOM 0 H HIS A 33 6.115 3.752 -0.139 1.00 0.00 H new ATOM 0 HA HIS A 33 3.396 3.188 0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.312 5.137 -0.652 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.984 4.122 -1.913 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.971 3.198 0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.324 2.863 -3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.972 2.556 -1.007 1.00 0.00 H new ATOM 485 N ILE A 34 4.040 1.589 -1.684 1.00 0.00 N ATOM 486 CA ILE A 34 4.263 0.280 -2.274 1.00 0.00 C ATOM 487 C ILE A 34 3.631 0.239 -3.667 1.00 0.00 C ATOM 488 O ILE A 34 2.880 1.140 -4.038 1.00 0.00 O ATOM 489 CB ILE A 34 3.763 -0.821 -1.338 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.881 -1.813 -1.011 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.531 -1.519 -1.922 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.325 -3.226 -0.828 1.00 0.00 C ATOM 0 H ILE A 34 3.609 2.270 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 34 5.330 0.096 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 34 3.458 -0.359 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.620 -1.810 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.395 -1.500 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.195 -2.298 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.733 -0.790 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.787 -1.966 -2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.141 -3.911 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.604 -3.230 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.833 -3.545 -1.747 1.00 0.00 H new ATOM 503 N PRO A 35 3.968 -0.843 -4.418 1.00 0.00 N ATOM 504 CA PRO A 35 3.441 -1.014 -5.762 1.00 0.00 C ATOM 505 C PRO A 35 1.975 -1.451 -5.725 1.00 0.00 C ATOM 506 O PRO A 35 1.673 -2.637 -5.856 1.00 0.00 O ATOM 507 CB PRO A 35 4.351 -2.042 -6.414 1.00 0.00 C ATOM 508 CG PRO A 35 5.064 -2.750 -5.273 1.00 0.00 C ATOM 509 CD PRO A 35 4.854 -1.929 -4.012 1.00 0.00 C ATOM 0 HA PRO A 35 3.437 -0.086 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.776 -2.748 -7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.065 -1.563 -7.083 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.669 -3.758 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.127 -2.850 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.407 -2.529 -3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.799 -1.546 -3.627 1.00 0.00 H new ATOM 514 N GLU A 36 1.102 -0.470 -5.548 1.00 0.00 N ATOM 515 CA GLU A 36 -0.325 -0.738 -5.491 1.00 0.00 C ATOM 516 C GLU A 36 -0.682 -1.441 -4.180 1.00 0.00 C ATOM 517 O GLU A 36 -0.458 -2.642 -4.034 1.00 0.00 O ATOM 518 CB GLU A 36 -0.773 -1.567 -6.697 1.00 0.00 C ATOM 519 CG GLU A 36 -1.569 -0.710 -7.685 1.00 0.00 C ATOM 520 CD GLU A 36 -0.634 0.111 -8.574 1.00 0.00 C ATOM 521 OE1 GLU A 36 0.158 0.917 -8.064 1.00 0.00 O ATOM 522 OE2 GLU A 36 -0.749 -0.112 -9.839 1.00 0.00 O ATOM 0 H GLU A 36 1.356 0.512 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.856 0.213 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.099 -1.990 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.385 -2.404 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.196 -1.351 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.236 -0.043 -7.139 1.00 0.00 H new ATOM 528 N ALA A 37 -1.231 -0.662 -3.260 1.00 0.00 N ATOM 529 CA ALA A 37 -1.621 -1.195 -1.965 1.00 0.00 C ATOM 530 C ALA A 37 -2.467 -0.156 -1.225 1.00 0.00 C ATOM 531 O ALA A 37 -2.293 1.046 -1.423 1.00 0.00 O ATOM 532 CB ALA A 37 -0.371 -1.595 -1.180 1.00 0.00 C ATOM 0 H ALA A 37 -1.415 0.333 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.230 -2.091 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.664 -1.995 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.179 -2.355 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.264 -0.721 -1.036 1.00 0.00 H new ATOM 538 N ASP A 38 -3.363 -0.657 -0.389 1.00 0.00 N ATOM 539 CA ASP A 38 -4.236 0.213 0.382 1.00 0.00 C ATOM 540 C ASP A 38 -4.046 -0.073 1.873 1.00 0.00 C ATOM 541 O ASP A 38 -3.883 -1.224 2.273 1.00 0.00 O ATOM 542 CB ASP A 38 -5.706 -0.036 0.037 1.00 0.00 C ATOM 543 CG ASP A 38 -6.354 1.033 -0.845 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.275 1.743 -0.416 1.00 0.00 O ATOM 545 OD2 ASP A 38 -5.868 1.125 -2.037 1.00 0.00 O ATOM 0 H ASP A 38 -3.504 -1.654 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.979 1.245 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.787 -0.999 -0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.273 -0.113 0.965 1.00 0.00 H new ATOM 550 N LEU A 39 -4.072 0.998 2.655 1.00 0.00 N ATOM 551 CA LEU A 39 -3.904 0.877 4.093 1.00 0.00 C ATOM 552 C LEU A 39 -4.764 -0.279 4.607 1.00 0.00 C ATOM 553 O LEU A 39 -5.956 -0.351 4.310 1.00 0.00 O ATOM 554 CB LEU A 39 -4.194 2.212 4.780 1.00 0.00 C ATOM 555 CG LEU A 39 -3.931 2.263 6.287 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.578 1.637 6.628 1.00 0.00 C ATOM 557 CD2 LEU A 39 -4.051 3.693 6.817 1.00 0.00 C ATOM 0 H LEU A 39 -4.207 1.952 2.320 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.869 0.638 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.592 2.983 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.239 2.469 4.605 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.696 1.670 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.415 1.686 7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.568 0.596 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.785 2.183 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.859 3.701 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.323 4.330 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.056 4.069 6.625 1.00 0.00 H new ATOM 568 N ALA A 40 -4.127 -1.155 5.370 1.00 0.00 N ATOM 569 CA ALA A 40 -4.820 -2.304 5.928 1.00 0.00 C ATOM 570 C ALA A 40 -3.822 -3.169 6.703 1.00 0.00 C ATOM 571 O ALA A 40 -3.468 -4.261 6.262 1.00 0.00 O ATOM 572 CB ALA A 40 -5.512 -3.079 4.805 1.00 0.00 C ATOM 0 H ALA A 40 -3.139 -1.092 5.615 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.592 -1.983 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.032 -3.941 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.231 -2.430 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.767 -3.419 4.085 1.00 0.00 H new ATOM 578 N PRO A 41 -3.385 -2.632 7.875 1.00 0.00 N ATOM 579 CA PRO A 41 -2.436 -3.343 8.714 1.00 0.00 C ATOM 580 C PRO A 41 -3.115 -4.496 9.455 1.00 0.00 C ATOM 581 O PRO A 41 -4.307 -4.432 9.751 1.00 0.00 O ATOM 582 CB PRO A 41 -1.872 -2.286 9.649 1.00 0.00 C ATOM 583 CG PRO A 41 -2.856 -1.129 9.614 1.00 0.00 C ATOM 584 CD PRO A 41 -3.783 -1.342 8.427 1.00 0.00 C ATOM 0 HA PRO A 41 -1.639 -3.816 8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.765 -2.677 10.661 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.882 -1.966 9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.427 -1.085 10.541 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.327 -0.181 9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.828 -1.349 8.737 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.674 -0.545 7.691 1.00 0.00 H new ATOM 589 N LEU A 42 -2.327 -5.525 9.732 1.00 0.00 N ATOM 590 CA LEU A 42 -2.837 -6.691 10.433 1.00 0.00 C ATOM 591 C LEU A 42 -3.671 -6.236 11.632 1.00 0.00 C ATOM 592 O LEU A 42 -4.546 -6.965 12.096 1.00 0.00 O ATOM 593 CB LEU A 42 -1.692 -7.637 10.803 1.00 0.00 C ATOM 594 CG LEU A 42 -2.093 -9.073 11.146 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.904 -9.702 10.011 1.00 0.00 C ATOM 596 CD2 LEU A 42 -0.866 -9.912 11.508 1.00 0.00 C ATOM 0 H LEU A 42 -1.339 -5.575 9.483 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.498 -7.266 9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.988 -7.666 9.971 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.160 -7.216 11.656 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.737 -9.048 12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.176 -10.722 10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.809 -9.118 9.843 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.306 -9.715 9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.178 -10.928 11.748 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.178 -9.933 10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.367 -9.473 12.372 1.00 0.00 H new ATOM 607 N SER A 43 -3.370 -5.033 12.100 1.00 0.00 N ATOM 608 CA SER A 43 -4.081 -4.473 13.236 1.00 0.00 C ATOM 609 C SER A 43 -5.539 -4.203 12.859 1.00 0.00 C ATOM 610 O SER A 43 -6.428 -4.283 13.706 1.00 0.00 O ATOM 611 CB SER A 43 -3.412 -3.186 13.724 1.00 0.00 C ATOM 612 OG SER A 43 -2.187 -3.446 14.405 1.00 0.00 O ATOM 0 H SER A 43 -2.643 -4.431 11.713 1.00 0.00 H new ATOM 0 HA SER A 43 -4.051 -5.198 14.050 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.222 -2.531 12.874 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.091 -2.654 14.390 1.00 0.00 H new ATOM 0 HG SER A 43 -1.790 -2.600 14.699 1.00 0.00 H new ATOM 617 N VAL A 44 -5.739 -3.888 11.588 1.00 0.00 N ATOM 618 CA VAL A 44 -7.075 -3.606 11.089 1.00 0.00 C ATOM 619 C VAL A 44 -7.732 -4.911 10.637 1.00 0.00 C ATOM 620 O VAL A 44 -8.939 -5.091 10.795 1.00 0.00 O ATOM 621 CB VAL A 44 -7.008 -2.554 9.979 1.00 0.00 C ATOM 622 CG1 VAL A 44 -6.556 -3.180 8.658 1.00 0.00 C ATOM 623 CG2 VAL A 44 -8.352 -1.841 9.817 1.00 0.00 C ATOM 0 H VAL A 44 -4.999 -3.822 10.889 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.697 -3.186 11.879 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.267 -1.809 10.268 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.517 -2.412 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.566 -3.619 8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.263 -3.956 8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.277 -1.099 9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.122 -2.569 9.562 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.616 -1.346 10.752 1.00 0.00 H new ATOM 633 N LEU A 45 -6.909 -5.789 10.082 1.00 0.00 N ATOM 634 CA LEU A 45 -7.396 -7.074 9.605 1.00 0.00 C ATOM 635 C LEU A 45 -8.132 -7.788 10.741 1.00 0.00 C ATOM 636 O LEU A 45 -9.276 -8.209 10.576 1.00 0.00 O ATOM 637 CB LEU A 45 -6.250 -7.891 9.005 1.00 0.00 C ATOM 638 CG LEU A 45 -5.839 -7.521 7.578 1.00 0.00 C ATOM 639 CD1 LEU A 45 -6.571 -8.390 6.553 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.048 -6.028 7.317 1.00 0.00 C ATOM 0 H LEU A 45 -5.909 -5.637 9.952 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.114 -6.934 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.379 -7.787 9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.534 -8.943 9.019 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.773 -7.721 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.261 -8.106 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.328 -9.439 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.646 -8.245 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.748 -5.792 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.100 -5.779 7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.444 -5.449 8.016 1.00 0.00 H new ATOM 651 N GLU A 46 -7.444 -7.904 11.868 1.00 0.00 N ATOM 652 CA GLU A 46 -8.019 -8.562 13.030 1.00 0.00 C ATOM 653 C GLU A 46 -9.205 -7.756 13.562 1.00 0.00 C ATOM 654 O GLU A 46 -10.076 -8.301 14.239 1.00 0.00 O ATOM 655 CB GLU A 46 -6.963 -8.769 14.119 1.00 0.00 C ATOM 656 CG GLU A 46 -6.411 -10.195 14.081 1.00 0.00 C ATOM 657 CD GLU A 46 -6.779 -10.960 15.354 1.00 0.00 C ATOM 658 OE1 GLU A 46 -7.756 -11.723 15.358 1.00 0.00 O ATOM 659 OE2 GLU A 46 -6.008 -10.739 16.365 1.00 0.00 O ATOM 0 H GLU A 46 -6.495 -7.554 12.001 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.380 -9.545 12.727 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.150 -8.056 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.400 -8.570 15.097 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.806 -10.719 13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.327 -10.166 13.970 1.00 0.00 H new ATOM 665 N GLN A 47 -9.202 -6.472 13.237 1.00 0.00 N ATOM 666 CA GLN A 47 -10.267 -5.586 13.675 1.00 0.00 C ATOM 667 C GLN A 47 -11.439 -5.639 12.691 1.00 0.00 C ATOM 668 O GLN A 47 -12.570 -5.316 13.049 1.00 0.00 O ATOM 669 CB GLN A 47 -9.756 -4.154 13.842 1.00 0.00 C ATOM 670 CG GLN A 47 -10.141 -3.591 15.212 1.00 0.00 C ATOM 671 CD GLN A 47 -10.402 -2.085 15.132 1.00 0.00 C ATOM 672 OE1 GLN A 47 -9.622 -1.269 15.593 1.00 0.00 O ATOM 673 NE2 GLN A 47 -11.541 -1.766 14.523 1.00 0.00 N ATOM 0 H GLN A 47 -8.478 -6.024 12.675 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.619 -5.926 14.649 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.672 -4.135 13.729 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.170 -3.522 13.056 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.032 -4.099 15.581 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.343 -3.788 15.928 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.148 -2.501 14.160 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.807 -0.787 14.419 1.00 0.00 H new ATOM 680 N SER A 48 -11.126 -6.049 11.470 1.00 0.00 N ATOM 681 CA SER A 48 -12.139 -6.148 10.432 1.00 0.00 C ATOM 682 C SER A 48 -11.896 -7.396 9.582 1.00 0.00 C ATOM 683 O SER A 48 -12.608 -8.390 9.716 1.00 0.00 O ATOM 684 CB SER A 48 -12.146 -4.897 9.549 1.00 0.00 C ATOM 685 OG SER A 48 -10.843 -4.572 9.073 1.00 0.00 O ATOM 0 H SER A 48 -10.186 -6.316 11.176 1.00 0.00 H new ATOM 0 HA SER A 48 -13.115 -6.227 10.912 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.813 -5.055 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.545 -4.056 10.115 1.00 0.00 H new ATOM 0 HG SER A 48 -10.214 -4.558 9.825 1.00 0.00 H new ATOM 690 N GLY A 49 -10.889 -7.304 8.727 1.00 0.00 N ATOM 691 CA GLY A 49 -10.543 -8.414 7.855 1.00 0.00 C ATOM 692 C GLY A 49 -10.486 -7.967 6.394 1.00 0.00 C ATOM 693 O GLY A 49 -10.803 -6.821 6.079 1.00 0.00 O ATOM 0 H GLY A 49 -10.301 -6.478 8.619 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.578 -8.826 8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.278 -9.211 7.967 1.00 0.00 H new ATOM 697 N LEU A 50 -10.076 -8.893 5.540 1.00 0.00 N ATOM 698 CA LEU A 50 -9.972 -8.609 4.118 1.00 0.00 C ATOM 699 C LEU A 50 -11.157 -7.740 3.690 1.00 0.00 C ATOM 700 O LEU A 50 -12.310 -8.138 3.841 1.00 0.00 O ATOM 701 CB LEU A 50 -9.841 -9.907 3.320 1.00 0.00 C ATOM 702 CG LEU A 50 -9.327 -9.763 1.887 1.00 0.00 C ATOM 703 CD1 LEU A 50 -10.292 -8.935 1.038 1.00 0.00 C ATOM 704 CD2 LEU A 50 -7.908 -9.188 1.867 1.00 0.00 C ATOM 0 H LEU A 50 -9.812 -9.842 5.805 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.066 -8.041 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.171 -10.576 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.817 -10.391 3.288 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.278 -10.757 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.902 -8.848 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.266 -9.425 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.397 -7.941 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.567 -9.096 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.907 -8.205 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.238 -9.853 2.413 1.00 0.00 H new ATOM 715 N PRO A 51 -10.821 -6.539 3.148 1.00 0.00 N ATOM 716 CA PRO A 51 -11.843 -5.610 2.696 1.00 0.00 C ATOM 717 C PRO A 51 -12.459 -6.074 1.373 1.00 0.00 C ATOM 718 O PRO A 51 -11.961 -7.008 0.747 1.00 0.00 O ATOM 719 CB PRO A 51 -11.135 -4.269 2.583 1.00 0.00 C ATOM 720 CG PRO A 51 -9.649 -4.586 2.528 1.00 0.00 C ATOM 721 CD PRO A 51 -9.465 -6.033 2.952 1.00 0.00 C ATOM 0 HA PRO A 51 -12.685 -5.544 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.453 -3.733 1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.367 -3.632 3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.263 -4.431 1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.092 -3.921 3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.936 -6.605 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.879 -6.105 3.868 1.00 0.00 H new ATOM 726 N ALA A 52 -13.532 -5.399 0.988 1.00 0.00 N ATOM 727 CA ALA A 52 -14.220 -5.729 -0.248 1.00 0.00 C ATOM 728 C ALA A 52 -13.546 -5.001 -1.412 1.00 0.00 C ATOM 729 O ALA A 52 -13.249 -5.607 -2.440 1.00 0.00 O ATOM 730 CB ALA A 52 -15.703 -5.375 -0.118 1.00 0.00 C ATOM 0 H ALA A 52 -13.942 -4.625 1.511 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.157 -6.799 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.219 -5.623 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.142 -5.941 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.806 -4.308 0.081 1.00 0.00 H new ATOM 736 N LYS A 53 -13.326 -3.709 -1.213 1.00 0.00 N ATOM 737 CA LYS A 53 -12.693 -2.892 -2.233 1.00 0.00 C ATOM 738 C LYS A 53 -11.420 -3.587 -2.721 1.00 0.00 C ATOM 739 O LYS A 53 -11.061 -3.482 -3.893 1.00 0.00 O ATOM 740 CB LYS A 53 -12.457 -1.472 -1.713 1.00 0.00 C ATOM 741 CG LYS A 53 -11.733 -1.495 -0.366 1.00 0.00 C ATOM 742 CD LYS A 53 -12.279 -0.415 0.570 1.00 0.00 C ATOM 743 CE LYS A 53 -11.725 0.962 0.201 1.00 0.00 C ATOM 744 NZ LYS A 53 -11.928 1.917 1.313 1.00 0.00 N ATOM 0 H LYS A 53 -13.575 -3.209 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.350 -2.786 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.868 -0.909 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.411 -0.956 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.850 -2.475 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.665 -1.341 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.368 -0.399 0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.014 -0.653 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.663 0.883 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.219 1.331 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.546 2.847 1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.945 2.005 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.436 1.571 2.162 1.00 0.00 H new ATOM 753 N LEU A 54 -10.772 -4.281 -1.798 1.00 0.00 N ATOM 754 CA LEU A 54 -9.547 -4.993 -2.118 1.00 0.00 C ATOM 755 C LEU A 54 -9.783 -6.497 -1.970 1.00 0.00 C ATOM 756 O LEU A 54 -9.006 -7.189 -1.312 1.00 0.00 O ATOM 757 CB LEU A 54 -8.384 -4.467 -1.275 1.00 0.00 C ATOM 758 CG LEU A 54 -8.341 -2.952 -1.064 1.00 0.00 C ATOM 759 CD1 LEU A 54 -8.197 -2.608 0.420 1.00 0.00 C ATOM 760 CD2 LEU A 54 -7.237 -2.312 -1.909 1.00 0.00 C ATOM 0 H LEU A 54 -11.073 -4.366 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.263 -4.815 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.422 -4.949 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.451 -4.775 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.289 -2.534 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.169 -1.525 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.045 -3.013 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.274 -3.040 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.228 -1.235 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.272 -2.732 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.424 -2.513 -2.964 1.00 0.00 H new ATOM 771 N ARG A 55 -10.857 -6.960 -2.592 1.00 0.00 N ATOM 772 CA ARG A 55 -11.205 -8.369 -2.538 1.00 0.00 C ATOM 773 C ARG A 55 -11.126 -8.990 -3.934 1.00 0.00 C ATOM 774 O ARG A 55 -11.577 -10.116 -4.143 1.00 0.00 O ATOM 775 CB ARG A 55 -12.615 -8.568 -1.977 1.00 0.00 C ATOM 776 CG ARG A 55 -13.673 -8.101 -2.978 1.00 0.00 C ATOM 777 CD ARG A 55 -14.401 -9.293 -3.604 1.00 0.00 C ATOM 778 NE ARG A 55 -15.614 -8.831 -4.314 1.00 0.00 N ATOM 779 CZ ARG A 55 -16.401 -9.628 -5.067 1.00 0.00 C ATOM 780 NH1 ARG A 55 -16.108 -10.939 -5.212 1.00 0.00 N ATOM 781 NH2 ARG A 55 -17.461 -9.110 -5.657 1.00 0.00 N ATOM 0 H ARG A 55 -11.498 -6.383 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.491 -8.861 -1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.771 -9.621 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.721 -8.013 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.392 -7.454 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.201 -7.507 -3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.739 -9.810 -4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.674 -10.010 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.872 -7.848 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.288 -11.332 -4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.707 -11.535 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.676 -8.120 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.065 -9.700 -6.229 1.00 0.00 H new ATOM 791 N HIS A 56 -10.551 -8.229 -4.853 1.00 0.00 N ATOM 792 CA HIS A 56 -10.409 -8.690 -6.224 1.00 0.00 C ATOM 793 C HIS A 56 -10.149 -10.198 -6.233 1.00 0.00 C ATOM 794 O HIS A 56 -9.554 -10.736 -5.300 1.00 0.00 O ATOM 795 CB HIS A 56 -9.322 -7.897 -6.952 1.00 0.00 C ATOM 796 CG HIS A 56 -9.069 -8.359 -8.368 1.00 0.00 C ATOM 797 ND1 HIS A 56 -7.850 -8.863 -8.786 1.00 0.00 N ATOM 798 CD2 HIS A 56 -9.892 -8.391 -9.455 1.00 0.00 C ATOM 799 CE1 HIS A 56 -7.945 -9.178 -10.069 1.00 0.00 C ATOM 800 NE2 HIS A 56 -9.211 -8.884 -10.483 1.00 0.00 N ATOM 0 H HIS A 56 -10.178 -7.296 -4.676 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.335 -8.513 -6.770 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.604 -6.844 -6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.393 -7.969 -6.386 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.019 -8.973 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.923 -8.070 -9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.158 -9.595 -10.680 1.00 0.00 H new ATOM 807 N GLU A 57 -10.609 -10.838 -7.298 1.00 0.00 N ATOM 808 CA GLU A 57 -10.435 -12.273 -7.442 1.00 0.00 C ATOM 809 C GLU A 57 -9.042 -12.689 -6.964 1.00 0.00 C ATOM 810 O GLU A 57 -8.879 -13.752 -6.366 1.00 0.00 O ATOM 811 CB GLU A 57 -10.673 -12.713 -8.887 1.00 0.00 C ATOM 812 CG GLU A 57 -10.923 -14.220 -8.969 1.00 0.00 C ATOM 813 CD GLU A 57 -12.173 -14.524 -9.796 1.00 0.00 C ATOM 814 OE1 GLU A 57 -13.070 -13.674 -9.901 1.00 0.00 O ATOM 815 OE2 GLU A 57 -12.194 -15.692 -10.344 1.00 0.00 O ATOM 0 H GLU A 57 -11.102 -10.389 -8.070 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.176 -12.773 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.528 -12.176 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.809 -12.451 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.059 -14.712 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.039 -14.628 -7.965 1.00 0.00 H new ATOM 821 N GLN A 58 -8.075 -11.830 -7.244 1.00 0.00 N ATOM 822 CA GLN A 58 -6.701 -12.095 -6.850 1.00 0.00 C ATOM 823 C GLN A 58 -6.131 -10.903 -6.078 1.00 0.00 C ATOM 824 O GLN A 58 -6.354 -9.753 -6.451 1.00 0.00 O ATOM 825 CB GLN A 58 -5.834 -12.423 -8.068 1.00 0.00 C ATOM 826 CG GLN A 58 -6.208 -13.786 -8.655 1.00 0.00 C ATOM 827 CD GLN A 58 -6.279 -13.724 -10.182 1.00 0.00 C ATOM 828 OE1 GLN A 58 -6.965 -12.901 -10.765 1.00 0.00 O ATOM 829 NE2 GLN A 58 -5.534 -14.639 -10.795 1.00 0.00 N ATOM 0 H GLN A 58 -8.214 -10.949 -7.739 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.694 -12.966 -6.194 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.958 -11.650 -8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.782 -12.422 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.472 -14.531 -8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.170 -14.107 -8.255 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.983 -15.299 -10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.514 -14.681 -11.814 1.00 0.00 H new ATOM 836 N ILE A 59 -5.406 -11.220 -5.014 1.00 0.00 N ATOM 837 CA ILE A 59 -4.804 -10.191 -4.186 1.00 0.00 C ATOM 838 C ILE A 59 -3.430 -10.667 -3.707 1.00 0.00 C ATOM 839 O ILE A 59 -3.090 -11.839 -3.856 1.00 0.00 O ATOM 840 CB ILE A 59 -5.749 -9.795 -3.049 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.072 -9.971 -1.688 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.067 -10.567 -3.139 1.00 0.00 C ATOM 843 CD1 ILE A 59 -6.074 -9.773 -0.549 1.00 0.00 C ATOM 0 H ILE A 59 -5.223 -12.175 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.643 -9.282 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.988 -8.737 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.633 -10.966 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.256 -9.255 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.721 -10.267 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.553 -10.348 -4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.868 -11.636 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.568 -9.903 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.493 -8.768 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.876 -10.506 -0.638 1.00 0.00 H new ATOM 854 N ILE A 60 -2.681 -9.733 -3.141 1.00 0.00 N ATOM 855 CA ILE A 60 -1.352 -10.042 -2.638 1.00 0.00 C ATOM 856 C ILE A 60 -1.161 -9.382 -1.272 1.00 0.00 C ATOM 857 O ILE A 60 -1.937 -8.509 -0.886 1.00 0.00 O ATOM 858 CB ILE A 60 -0.286 -9.650 -3.665 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.508 -10.380 -4.991 1.00 0.00 C ATOM 860 CG2 ILE A 60 1.120 -9.882 -3.110 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.747 -10.323 -5.864 1.00 0.00 C ATOM 0 H ILE A 60 -2.968 -8.762 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.241 -11.116 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.380 -8.583 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.774 -11.419 -4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.346 -9.929 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.859 -9.596 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.261 -9.280 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.244 -10.936 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.563 -10.849 -6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.997 -9.283 -6.075 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.577 -10.796 -5.339 1.00 0.00 H new ATOM 872 N PHE A 61 -0.124 -9.826 -0.576 1.00 0.00 N ATOM 873 CA PHE A 61 0.178 -9.288 0.740 1.00 0.00 C ATOM 874 C PHE A 61 1.649 -8.881 0.841 1.00 0.00 C ATOM 875 O PHE A 61 2.490 -9.390 0.102 1.00 0.00 O ATOM 876 CB PHE A 61 -0.102 -10.401 1.752 1.00 0.00 C ATOM 877 CG PHE A 61 -1.566 -10.497 2.183 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.251 -9.372 2.520 1.00 0.00 C ATOM 879 CD2 PHE A 61 -2.184 -11.708 2.228 1.00 0.00 C ATOM 880 CE1 PHE A 61 -3.611 -9.461 2.920 1.00 0.00 C ATOM 881 CE2 PHE A 61 -3.544 -11.797 2.629 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.229 -10.672 2.966 1.00 0.00 C ATOM 0 H PHE A 61 0.517 -10.551 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.430 -8.403 0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.202 -11.355 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.516 -10.239 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.761 -8.410 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.641 -12.602 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.155 -8.567 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.034 -12.759 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.263 -10.740 3.270 1.00 0.00 H new ATOM 891 N HIS A 62 1.915 -7.967 1.762 1.00 0.00 N ATOM 892 CA HIS A 62 3.270 -7.485 1.970 1.00 0.00 C ATOM 893 C HIS A 62 3.413 -6.957 3.399 1.00 0.00 C ATOM 894 O HIS A 62 2.571 -7.230 4.253 1.00 0.00 O ATOM 895 CB HIS A 62 3.644 -6.444 0.913 1.00 0.00 C ATOM 896 CG HIS A 62 3.110 -5.060 1.197 1.00 0.00 C ATOM 897 ND1 HIS A 62 3.825 -4.113 1.909 1.00 0.00 N ATOM 898 CD2 HIS A 62 1.926 -4.475 0.856 1.00 0.00 C ATOM 899 CE1 HIS A 62 3.094 -3.010 1.988 1.00 0.00 C ATOM 900 NE2 HIS A 62 1.917 -3.237 1.336 1.00 0.00 N ATOM 0 H HIS A 62 1.215 -7.547 2.373 1.00 0.00 H new ATOM 0 HA HIS A 62 3.975 -8.308 1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.730 -6.394 0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.270 -6.775 -0.056 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.756 -4.242 2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.131 -4.940 0.292 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.380 -2.093 2.482 1.00 0.00 H new ATOM 907 N CYS A 63 4.486 -6.210 3.614 1.00 0.00 N ATOM 908 CA CYS A 63 4.751 -5.641 4.925 1.00 0.00 C ATOM 909 C CYS A 63 5.861 -4.598 4.780 1.00 0.00 C ATOM 910 O CYS A 63 6.469 -4.476 3.718 1.00 0.00 O ATOM 911 CB CYS A 63 5.111 -6.719 5.947 1.00 0.00 C ATOM 912 SG CYS A 63 6.875 -7.177 5.780 1.00 0.00 S ATOM 0 H CYS A 63 5.182 -5.986 2.903 1.00 0.00 H new ATOM 0 HA CYS A 63 3.849 -5.160 5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.915 -6.355 6.956 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.483 -7.597 5.798 1.00 0.00 H new ATOM 0 HG CYS A 63 7.170 -8.092 6.655 1.00 0.00 H new ATOM 917 N GLN A 64 6.092 -3.872 5.864 1.00 0.00 N ATOM 918 CA GLN A 64 7.119 -2.843 5.872 1.00 0.00 C ATOM 919 C GLN A 64 8.443 -3.412 5.358 1.00 0.00 C ATOM 920 O GLN A 64 9.070 -2.833 4.472 1.00 0.00 O ATOM 921 CB GLN A 64 7.285 -2.245 7.269 1.00 0.00 C ATOM 922 CG GLN A 64 7.444 -3.343 8.321 1.00 0.00 C ATOM 923 CD GLN A 64 8.912 -3.516 8.717 1.00 0.00 C ATOM 924 OE1 GLN A 64 9.822 -3.306 7.931 1.00 0.00 O ATOM 925 NE2 GLN A 64 9.091 -3.908 9.975 1.00 0.00 N ATOM 0 H GLN A 64 5.586 -3.976 6.743 1.00 0.00 H new ATOM 0 HA GLN A 64 6.807 -2.040 5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.157 -1.591 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.419 -1.629 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.853 -3.095 9.203 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.056 -4.284 7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.285 -4.066 10.580 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.034 -4.051 10.335 1.00 0.00 H new ATOM 932 N ALA A 65 8.830 -4.540 5.935 1.00 0.00 N ATOM 933 CA ALA A 65 10.069 -5.194 5.547 1.00 0.00 C ATOM 934 C ALA A 65 10.405 -6.284 6.565 1.00 0.00 C ATOM 935 O ALA A 65 10.846 -5.987 7.675 1.00 0.00 O ATOM 936 CB ALA A 65 11.180 -4.149 5.422 1.00 0.00 C ATOM 0 H ALA A 65 8.307 -5.018 6.669 1.00 0.00 H new ATOM 0 HA ALA A 65 9.962 -5.674 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.109 -4.639 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.905 -3.414 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.318 -3.649 6.380 1.00 0.00 H new ATOM 942 N GLY A 66 10.185 -7.524 6.153 1.00 0.00 N ATOM 943 CA GLY A 66 10.461 -8.660 7.015 1.00 0.00 C ATOM 944 C GLY A 66 10.113 -9.976 6.316 1.00 0.00 C ATOM 945 O GLY A 66 10.783 -10.988 6.521 1.00 0.00 O ATOM 0 H GLY A 66 9.818 -7.767 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.514 -8.661 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.886 -8.570 7.936 1.00 0.00 H new ATOM 949 N LYS A 67 9.067 -9.920 5.506 1.00 0.00 N ATOM 950 CA LYS A 67 8.622 -11.095 4.775 1.00 0.00 C ATOM 951 C LYS A 67 8.033 -12.108 5.759 1.00 0.00 C ATOM 952 O LYS A 67 8.214 -13.314 5.595 1.00 0.00 O ATOM 953 CB LYS A 67 9.760 -11.656 3.921 1.00 0.00 C ATOM 954 CG LYS A 67 9.312 -12.913 3.170 1.00 0.00 C ATOM 955 CD LYS A 67 10.011 -14.158 3.719 1.00 0.00 C ATOM 956 CE LYS A 67 10.562 -15.023 2.583 1.00 0.00 C ATOM 957 NZ LYS A 67 10.079 -16.416 2.710 1.00 0.00 N ATOM 0 H LYS A 67 8.514 -9.079 5.339 1.00 0.00 H new ATOM 0 HA LYS A 67 7.829 -10.832 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.092 -10.901 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.614 -11.892 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.232 -13.029 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.534 -12.805 2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.824 -13.861 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.309 -14.740 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.253 -14.611 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.652 -15.007 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.462 -16.989 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.395 -16.811 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.040 -16.428 2.670 1.00 0.00 H new ATOM 966 N ARG A 68 7.340 -11.581 6.758 1.00 0.00 N ATOM 967 CA ARG A 68 6.724 -12.425 7.767 1.00 0.00 C ATOM 968 C ARG A 68 5.260 -12.694 7.412 1.00 0.00 C ATOM 969 O ARG A 68 4.472 -13.087 8.270 1.00 0.00 O ATOM 970 CB ARG A 68 6.793 -11.772 9.149 1.00 0.00 C ATOM 971 CG ARG A 68 8.072 -12.179 9.884 1.00 0.00 C ATOM 972 CD ARG A 68 9.260 -11.328 9.431 1.00 0.00 C ATOM 973 NE ARG A 68 9.646 -10.384 10.504 1.00 0.00 N ATOM 974 CZ ARG A 68 10.039 -10.763 11.739 1.00 0.00 C ATOM 975 NH1 ARG A 68 10.102 -12.070 12.068 1.00 0.00 N ATOM 976 NH2 ARG A 68 10.361 -9.834 12.620 1.00 0.00 N ATOM 0 H ARG A 68 7.192 -10.580 6.890 1.00 0.00 H new ATOM 0 HA ARG A 68 7.275 -13.365 7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.758 -10.688 9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.923 -12.064 9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.929 -12.067 10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.283 -13.232 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.104 -11.971 9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.000 -10.777 8.527 1.00 0.00 H new ATOM 0 HE ARG A 68 9.613 -9.386 10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.852 -12.781 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.400 -12.347 13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.311 -8.848 12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.660 -10.102 13.558 1.00 0.00 H new ATOM 986 N THR A 69 4.942 -12.472 6.145 1.00 0.00 N ATOM 987 CA THR A 69 3.587 -12.688 5.665 1.00 0.00 C ATOM 988 C THR A 69 3.278 -14.184 5.590 1.00 0.00 C ATOM 989 O THR A 69 2.168 -14.610 5.907 1.00 0.00 O ATOM 990 CB THR A 69 3.441 -11.968 4.323 1.00 0.00 C ATOM 991 OG1 THR A 69 4.389 -12.615 3.478 1.00 0.00 O ATOM 992 CG2 THR A 69 3.923 -10.517 4.381 1.00 0.00 C ATOM 0 H THR A 69 5.599 -12.145 5.436 1.00 0.00 H new ATOM 0 HA THR A 69 2.852 -12.273 6.355 1.00 0.00 H new ATOM 0 HB THR A 69 2.397 -11.991 4.010 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.620 -12.023 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.797 -10.052 3.403 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.339 -9.969 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.976 -10.494 4.661 1.00 0.00 H new ATOM 1000 N SER A 70 4.280 -14.941 5.167 1.00 0.00 N ATOM 1001 CA SER A 70 4.130 -16.382 5.046 1.00 0.00 C ATOM 1002 C SER A 70 4.139 -17.028 6.433 1.00 0.00 C ATOM 1003 O SER A 70 3.639 -18.137 6.608 1.00 0.00 O ATOM 1004 CB SER A 70 5.236 -16.978 4.174 1.00 0.00 C ATOM 1005 OG SER A 70 4.709 -17.676 3.048 1.00 0.00 O ATOM 0 H SER A 70 5.199 -14.584 4.904 1.00 0.00 H new ATOM 0 HA SER A 70 3.174 -16.588 4.564 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.896 -16.181 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.842 -17.659 4.772 1.00 0.00 H new ATOM 0 HG SER A 70 5.446 -18.041 2.515 1.00 0.00 H new ATOM 1010 N ASN A 71 4.715 -16.305 7.383 1.00 0.00 N ATOM 1011 CA ASN A 71 4.797 -16.795 8.748 1.00 0.00 C ATOM 1012 C ASN A 71 3.419 -16.691 9.406 1.00 0.00 C ATOM 1013 O ASN A 71 3.151 -17.362 10.402 1.00 0.00 O ATOM 1014 CB ASN A 71 5.779 -15.961 9.574 1.00 0.00 C ATOM 1015 CG ASN A 71 7.107 -16.698 9.756 1.00 0.00 C ATOM 1016 OD1 ASN A 71 7.753 -17.110 8.806 1.00 0.00 O ATOM 1017 ND2 ASN A 71 7.477 -16.841 11.025 1.00 0.00 N ATOM 0 H ASN A 71 5.129 -15.385 7.234 1.00 0.00 H new ATOM 0 HA ASN A 71 5.140 -17.829 8.715 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.954 -15.005 9.081 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.344 -15.741 10.549 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.349 -17.320 11.251 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.889 -16.472 11.772 1.00 0.00 H new ATOM 1023 N ASN A 72 2.582 -15.845 8.823 1.00 0.00 N ATOM 1024 CA ASN A 72 1.239 -15.646 9.340 1.00 0.00 C ATOM 1025 C ASN A 72 0.227 -15.863 8.213 1.00 0.00 C ATOM 1026 O ASN A 72 -0.911 -15.404 8.300 1.00 0.00 O ATOM 1027 CB ASN A 72 1.059 -14.222 9.869 1.00 0.00 C ATOM 1028 CG ASN A 72 2.125 -13.886 10.914 1.00 0.00 C ATOM 1029 OD1 ASN A 72 1.860 -13.792 12.101 1.00 0.00 O ATOM 1030 ND2 ASN A 72 3.343 -13.712 10.408 1.00 0.00 N ATOM 0 H ASN A 72 2.808 -15.290 7.998 1.00 0.00 H new ATOM 0 HA ASN A 72 1.081 -16.355 10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.118 -13.513 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.067 -14.116 10.309 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.124 -13.485 11.024 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.496 -13.805 9.404 1.00 0.00 H new ATOM 1036 N ALA A 73 0.677 -16.562 7.182 1.00 0.00 N ATOM 1037 CA ALA A 73 -0.175 -16.846 6.040 1.00 0.00 C ATOM 1038 C ALA A 73 -1.321 -17.759 6.479 1.00 0.00 C ATOM 1039 O ALA A 73 -2.278 -17.964 5.734 1.00 0.00 O ATOM 1040 CB ALA A 73 0.663 -17.460 4.917 1.00 0.00 C ATOM 0 H ALA A 73 1.622 -16.941 7.113 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.615 -15.928 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.023 -17.673 4.060 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.444 -16.760 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.119 -18.386 5.268 1.00 0.00 H new ATOM 1046 N ASP A 74 -1.187 -18.285 7.688 1.00 0.00 N ATOM 1047 CA ASP A 74 -2.199 -19.172 8.235 1.00 0.00 C ATOM 1048 C ASP A 74 -3.503 -18.395 8.425 1.00 0.00 C ATOM 1049 O ASP A 74 -4.543 -18.780 7.891 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.773 -19.719 9.599 1.00 0.00 C ATOM 1051 CG ASP A 74 -2.042 -21.211 9.809 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -3.191 -21.631 10.011 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -0.997 -21.966 9.759 1.00 0.00 O ATOM 0 H ASP A 74 -0.392 -18.114 8.304 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.333 -20.000 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.707 -19.535 9.731 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.292 -19.158 10.377 1.00 0.00 H new ATOM 1058 N LYS A 75 -3.406 -17.315 9.187 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.565 -16.481 9.453 1.00 0.00 C ATOM 1060 C LYS A 75 -4.912 -15.680 8.196 1.00 0.00 C ATOM 1061 O LYS A 75 -6.040 -15.741 7.709 1.00 0.00 O ATOM 1062 CB LYS A 75 -4.328 -15.612 10.689 1.00 0.00 C ATOM 1063 CG LYS A 75 -5.305 -15.972 11.810 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.755 -15.823 11.343 1.00 0.00 C ATOM 1065 CE LYS A 75 -7.630 -16.944 11.908 1.00 0.00 C ATOM 1066 NZ LYS A 75 -8.925 -16.401 12.376 1.00 0.00 N ATOM 0 H LYS A 75 -2.543 -16.999 9.628 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.432 -17.099 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.304 -15.743 11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.443 -14.561 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.128 -16.997 12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.129 -15.328 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.146 -14.856 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.794 -15.840 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.801 -17.701 11.143 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.115 -17.435 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.508 -17.173 12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.757 -15.695 13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.422 -15.953 11.580 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.921 -14.948 7.708 1.00 0.00 N ATOM 1076 CA LEU A 76 -4.108 -14.136 6.517 1.00 0.00 C ATOM 1077 C LEU A 76 -4.859 -14.951 5.462 1.00 0.00 C ATOM 1078 O LEU A 76 -5.641 -14.401 4.689 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.766 -13.586 6.030 1.00 0.00 C ATOM 1080 CG LEU A 76 -2.099 -12.546 6.931 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -0.607 -12.424 6.619 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -2.817 -11.198 6.838 1.00 0.00 C ATOM 0 H LEU A 76 -2.987 -14.900 8.115 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.722 -13.264 6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.078 -14.422 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.914 -13.143 5.045 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.184 -12.885 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.158 -11.678 7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.122 -13.387 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.476 -12.121 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.322 -10.477 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.786 -10.840 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.855 -11.316 7.150 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.594 -16.249 5.464 1.00 0.00 N ATOM 1094 CA ALA A 77 -5.235 -17.145 4.517 1.00 0.00 C ATOM 1095 C ALA A 77 -6.733 -17.213 4.818 1.00 0.00 C ATOM 1096 O ALA A 77 -7.557 -16.971 3.939 1.00 0.00 O ATOM 1097 CB ALA A 77 -4.564 -18.519 4.579 1.00 0.00 C ATOM 0 H ALA A 77 -3.944 -16.702 6.107 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.121 -16.772 3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.045 -19.191 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.508 -18.420 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.660 -18.926 5.586 1.00 0.00 H new ATOM 1103 N ALA A 78 -7.038 -17.542 6.065 1.00 0.00 N ATOM 1104 CA ALA A 78 -8.423 -17.644 6.494 1.00 0.00 C ATOM 1105 C ALA A 78 -9.078 -16.263 6.424 1.00 0.00 C ATOM 1106 O ALA A 78 -10.288 -16.136 6.602 1.00 0.00 O ATOM 1107 CB ALA A 78 -8.479 -18.246 7.899 1.00 0.00 C ATOM 0 H ALA A 78 -6.350 -17.741 6.792 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.982 -18.307 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.518 -18.323 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.028 -19.238 7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.931 -17.607 8.591 1.00 0.00 H new ATOM 1113 N ILE A 79 -8.247 -15.263 6.166 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.730 -13.895 6.072 1.00 0.00 C ATOM 1115 C ILE A 79 -8.947 -13.537 4.600 1.00 0.00 C ATOM 1116 O ILE A 79 -9.995 -13.009 4.233 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.786 -12.941 6.806 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -8.145 -12.847 8.289 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.763 -11.568 6.132 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -7.054 -12.114 9.072 1.00 0.00 C ATOM 0 H ILE A 79 -7.244 -15.373 6.019 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.694 -13.795 6.570 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.776 -13.346 6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.094 -12.324 8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.281 -13.848 8.698 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.084 -10.908 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.422 -11.674 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.766 -11.142 6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.334 -12.061 10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.112 -12.653 8.974 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.938 -11.105 8.676 1.00 0.00 H new ATOM 1131 N ALA A 80 -7.937 -13.837 3.796 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.004 -13.552 2.373 1.00 0.00 C ATOM 1133 C ALA A 80 -8.462 -14.807 1.627 1.00 0.00 C ATOM 1134 O ALA A 80 -9.498 -14.798 0.966 1.00 0.00 O ATOM 1135 CB ALA A 80 -6.642 -13.050 1.888 1.00 0.00 C ATOM 0 H ALA A 80 -7.068 -14.274 4.103 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.732 -12.765 2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.692 -12.836 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.376 -12.141 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.887 -13.815 2.070 1.00 0.00 H new ATOM 1141 N ALA A 81 -7.666 -15.859 1.759 1.00 0.00 N ATOM 1142 CA ALA A 81 -7.977 -17.119 1.106 1.00 0.00 C ATOM 1143 C ALA A 81 -9.478 -17.391 1.219 1.00 0.00 C ATOM 1144 O ALA A 81 -10.160 -16.791 2.049 1.00 0.00 O ATOM 1145 CB ALA A 81 -7.133 -18.236 1.725 1.00 0.00 C ATOM 0 H ALA A 81 -6.807 -15.864 2.308 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.730 -17.073 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.366 -19.182 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.075 -18.009 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.356 -18.314 2.789 1.00 0.00 H new ATOM 1151 N PRO A 82 -9.961 -18.319 0.351 1.00 0.00 N ATOM 1152 CA PRO A 82 -9.084 -18.982 -0.600 1.00 0.00 C ATOM 1153 C PRO A 82 -8.716 -18.045 -1.752 1.00 0.00 C ATOM 1154 O PRO A 82 -7.987 -18.432 -2.663 1.00 0.00 O ATOM 1155 CB PRO A 82 -9.856 -20.210 -1.056 1.00 0.00 C ATOM 1156 CG PRO A 82 -11.310 -19.943 -0.702 1.00 0.00 C ATOM 1157 CD PRO A 82 -11.349 -18.760 0.251 1.00 0.00 C ATOM 0 HA PRO A 82 -8.128 -19.269 -0.162 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.738 -20.370 -2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.491 -21.108 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.888 -19.728 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.757 -20.822 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.990 -17.965 -0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.744 -19.049 1.225 1.00 0.00 H new ATOM 1162 N ALA A 83 -9.239 -16.830 -1.675 1.00 0.00 N ATOM 1163 CA ALA A 83 -8.974 -15.835 -2.699 1.00 0.00 C ATOM 1164 C ALA A 83 -7.491 -15.877 -3.075 1.00 0.00 C ATOM 1165 O ALA A 83 -6.626 -15.670 -2.226 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.409 -14.456 -2.197 1.00 0.00 C ATOM 0 H ALA A 83 -9.845 -16.512 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.549 -16.050 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.210 -13.709 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.476 -14.470 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.852 -14.205 -1.295 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.244 -16.146 -4.348 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.881 -16.219 -4.847 1.00 0.00 C ATOM 1174 C GLU A 84 -5.013 -15.154 -4.174 1.00 0.00 C ATOM 1175 O GLU A 84 -5.036 -13.989 -4.569 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.846 -16.074 -6.369 1.00 0.00 C ATOM 1177 CG GLU A 84 -6.321 -17.357 -7.054 1.00 0.00 C ATOM 1178 CD GLU A 84 -5.581 -18.578 -6.504 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -4.367 -18.714 -6.714 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -6.313 -19.403 -5.836 1.00 0.00 O ATOM 0 H GLU A 84 -7.965 -16.316 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.476 -17.200 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.478 -15.240 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.832 -15.839 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.394 -17.479 -6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.157 -17.282 -8.129 1.00 0.00 H new ATOM 1186 N ILE A 85 -4.267 -15.592 -3.169 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.394 -14.691 -2.438 1.00 0.00 C ATOM 1188 C ILE A 85 -1.935 -15.048 -2.737 1.00 0.00 C ATOM 1189 O ILE A 85 -1.645 -16.150 -3.200 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.737 -14.704 -0.947 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -4.517 -13.448 -0.554 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -2.479 -14.887 -0.096 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.815 -13.335 -1.356 1.00 0.00 C ATOM 0 H ILE A 85 -4.250 -16.559 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.546 -13.663 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.384 -15.560 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.745 -13.476 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.901 -12.565 -0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.751 -14.893 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.001 -15.832 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.787 -14.067 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.350 -12.434 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.582 -13.283 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.439 -14.208 -1.163 1.00 0.00 H new ATOM 1204 N PHE A 86 -1.058 -14.094 -2.460 1.00 0.00 N ATOM 1205 CA PHE A 86 0.362 -14.295 -2.693 1.00 0.00 C ATOM 1206 C PHE A 86 1.199 -13.354 -1.823 1.00 0.00 C ATOM 1207 O PHE A 86 0.655 -12.604 -1.014 1.00 0.00 O ATOM 1208 CB PHE A 86 0.623 -13.974 -4.166 1.00 0.00 C ATOM 1209 CG PHE A 86 -0.248 -14.770 -5.140 1.00 0.00 C ATOM 1210 CD1 PHE A 86 0.002 -16.090 -5.353 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.272 -14.158 -5.793 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -0.806 -16.829 -6.257 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -2.081 -14.897 -6.696 1.00 0.00 C ATOM 1214 CZ PHE A 86 -1.831 -16.216 -6.909 1.00 0.00 C ATOM 0 H PHE A 86 -1.303 -13.181 -2.077 1.00 0.00 H new ATOM 0 HA PHE A 86 0.639 -15.320 -2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.455 -12.910 -4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.672 -14.169 -4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.815 -16.576 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.470 -13.110 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.607 -17.877 -6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.895 -14.411 -7.214 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.446 -16.778 -7.596 1.00 0.00 H new ATOM 1223 N LEU A 87 2.507 -13.425 -2.019 1.00 0.00 N ATOM 1224 CA LEU A 87 3.424 -12.589 -1.262 1.00 0.00 C ATOM 1225 C LEU A 87 4.462 -11.988 -2.213 1.00 0.00 C ATOM 1226 O LEU A 87 5.069 -12.705 -3.006 1.00 0.00 O ATOM 1227 CB LEU A 87 4.034 -13.378 -0.102 1.00 0.00 C ATOM 1228 CG LEU A 87 3.045 -14.109 0.807 1.00 0.00 C ATOM 1229 CD1 LEU A 87 3.776 -15.032 1.783 1.00 0.00 C ATOM 1230 CD2 LEU A 87 2.130 -13.117 1.530 1.00 0.00 C ATOM 0 H LEU A 87 2.954 -14.048 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 87 2.892 -11.755 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.729 -14.111 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.620 -12.692 0.510 1.00 0.00 H new ATOM 0 HG LEU A 87 2.409 -14.739 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.049 -15.539 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.349 -15.772 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.451 -14.443 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.436 -13.662 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.733 -12.443 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.569 -12.538 0.796 1.00 0.00 H new ATOM 1241 N LEU A 88 4.633 -10.679 -2.099 1.00 0.00 N ATOM 1242 CA LEU A 88 5.587 -9.975 -2.938 1.00 0.00 C ATOM 1243 C LEU A 88 7.008 -10.342 -2.506 1.00 0.00 C ATOM 1244 O LEU A 88 7.781 -9.477 -2.098 1.00 0.00 O ATOM 1245 CB LEU A 88 5.309 -8.470 -2.919 1.00 0.00 C ATOM 1246 CG LEU A 88 5.964 -7.652 -4.033 1.00 0.00 C ATOM 1247 CD1 LEU A 88 5.333 -7.969 -5.391 1.00 0.00 C ATOM 1248 CD2 LEU A 88 5.918 -6.156 -3.716 1.00 0.00 C ATOM 0 H LEU A 88 4.127 -10.088 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 88 5.479 -10.283 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.231 -8.319 -2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.641 -8.072 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 88 7.015 -7.937 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.817 -7.374 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.462 -9.028 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.270 -7.731 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.390 -5.598 -4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.881 -5.838 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.450 -5.965 -2.784 1.00 0.00 H new ATOM 1259 N GLU A 89 7.311 -11.629 -2.611 1.00 0.00 N ATOM 1260 CA GLU A 89 8.625 -12.121 -2.238 1.00 0.00 C ATOM 1261 C GLU A 89 8.995 -11.633 -0.835 1.00 0.00 C ATOM 1262 O GLU A 89 8.711 -12.305 0.155 1.00 0.00 O ATOM 1263 CB GLU A 89 9.681 -11.699 -3.261 1.00 0.00 C ATOM 1264 CG GLU A 89 10.095 -12.881 -4.139 1.00 0.00 C ATOM 1265 CD GLU A 89 11.395 -12.579 -4.887 1.00 0.00 C ATOM 1266 OE1 GLU A 89 11.835 -11.421 -4.922 1.00 0.00 O ATOM 1267 OE2 GLU A 89 11.953 -13.599 -5.446 1.00 0.00 O ATOM 0 H GLU A 89 6.668 -12.345 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 89 8.593 -13.210 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.288 -10.897 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.555 -11.301 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.225 -13.770 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.303 -13.103 -4.854 1.00 0.00 H new ATOM 1273 N ASP A 90 9.624 -10.468 -0.795 1.00 0.00 N ATOM 1274 CA ASP A 90 10.036 -9.882 0.469 1.00 0.00 C ATOM 1275 C ASP A 90 9.190 -8.639 0.750 1.00 0.00 C ATOM 1276 O ASP A 90 8.747 -7.962 -0.177 1.00 0.00 O ATOM 1277 CB ASP A 90 11.504 -9.455 0.425 1.00 0.00 C ATOM 1278 CG ASP A 90 12.492 -10.570 0.076 1.00 0.00 C ATOM 1279 OD1 ASP A 90 12.864 -10.751 -1.093 1.00 0.00 O ATOM 1280 OD2 ASP A 90 12.888 -11.281 1.077 1.00 0.00 O ATOM 0 H ASP A 90 9.859 -9.914 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 90 9.902 -10.632 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.612 -8.653 -0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.775 -9.040 1.396 1.00 0.00 H new ATOM 1285 N GLY A 91 8.992 -8.374 2.033 1.00 0.00 N ATOM 1286 CA GLY A 91 8.207 -7.224 2.447 1.00 0.00 C ATOM 1287 C GLY A 91 8.839 -5.922 1.952 1.00 0.00 C ATOM 1288 O GLY A 91 9.823 -5.451 2.517 1.00 0.00 O ATOM 0 H GLY A 91 9.362 -8.936 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.193 -7.312 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.129 -7.204 3.534 1.00 0.00 H new ATOM 1292 N ILE A 92 8.247 -5.378 0.899 1.00 0.00 N ATOM 1293 CA ILE A 92 8.738 -4.139 0.321 1.00 0.00 C ATOM 1294 C ILE A 92 10.089 -4.396 -0.349 1.00 0.00 C ATOM 1295 O ILE A 92 10.272 -4.088 -1.525 1.00 0.00 O ATOM 1296 CB ILE A 92 8.774 -3.032 1.376 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.942 -1.827 0.934 1.00 0.00 C ATOM 1298 CG2 ILE A 92 10.215 -2.642 1.711 1.00 0.00 C ATOM 1299 CD1 ILE A 92 8.224 -1.470 -0.527 1.00 0.00 C ATOM 0 H ILE A 92 7.431 -5.773 0.431 1.00 0.00 H new ATOM 0 HA ILE A 92 8.059 -3.784 -0.454 1.00 0.00 H new ATOM 0 HB ILE A 92 8.323 -3.416 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.882 -2.047 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 92 8.168 -0.972 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.213 -1.853 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.747 -3.511 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.714 -2.283 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.619 -0.610 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.280 -1.227 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 92 7.974 -2.319 -1.164 1.00 0.00 H new ATOM 1310 N ASP A 93 11.002 -4.958 0.430 1.00 0.00 N ATOM 1311 CA ASP A 93 12.331 -5.259 -0.072 1.00 0.00 C ATOM 1312 C ASP A 93 12.225 -5.770 -1.511 1.00 0.00 C ATOM 1313 O ASP A 93 13.139 -5.578 -2.310 1.00 0.00 O ATOM 1314 CB ASP A 93 13.004 -6.348 0.767 1.00 0.00 C ATOM 1315 CG ASP A 93 14.333 -6.863 0.212 1.00 0.00 C ATOM 1316 OD1 ASP A 93 14.395 -7.937 -0.404 1.00 0.00 O ATOM 1317 OD2 ASP A 93 15.350 -6.102 0.439 1.00 0.00 O ATOM 0 H ASP A 93 10.847 -5.213 1.405 1.00 0.00 H new ATOM 0 HA ASP A 93 12.924 -4.346 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.173 -5.959 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.317 -7.189 0.862 1.00 0.00 H new ATOM 1322 N GLY A 94 11.100 -6.410 -1.795 1.00 0.00 N ATOM 1323 CA GLY A 94 10.862 -6.949 -3.124 1.00 0.00 C ATOM 1324 C GLY A 94 10.747 -5.828 -4.159 1.00 0.00 C ATOM 1325 O GLY A 94 11.539 -5.761 -5.097 1.00 0.00 O ATOM 0 H GLY A 94 10.344 -6.567 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.676 -7.620 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.947 -7.541 -3.121 1.00 0.00 H new ATOM 1329 N TRP A 95 9.755 -4.975 -3.952 1.00 0.00 N ATOM 1330 CA TRP A 95 9.526 -3.860 -4.855 1.00 0.00 C ATOM 1331 C TRP A 95 10.863 -3.150 -5.079 1.00 0.00 C ATOM 1332 O TRP A 95 11.192 -2.778 -6.203 1.00 0.00 O ATOM 1333 CB TRP A 95 8.439 -2.931 -4.314 1.00 0.00 C ATOM 1334 CG TRP A 95 8.190 -1.693 -5.180 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.375 -0.407 -4.853 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.700 -1.678 -6.537 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.042 0.433 -5.896 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.619 -0.364 -6.953 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.338 -2.738 -7.386 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.177 0.011 -8.228 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.900 -2.347 -8.657 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.811 -1.030 -9.090 1.00 0.00 C ATOM 0 H TRP A 95 9.100 -5.033 -3.172 1.00 0.00 H new ATOM 0 HA TRP A 95 9.154 -4.213 -5.817 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.509 -3.491 -4.223 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.717 -2.610 -3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.739 -0.070 -3.894 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.096 1.452 -5.892 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.393 -3.773 -7.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.121 1.046 -8.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.611 -3.124 -9.349 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.461 -0.810 -10.088 1.00 0.00 H new ATOM 1352 N LYS A 96 11.598 -2.984 -3.988 1.00 0.00 N ATOM 1353 CA LYS A 96 12.891 -2.326 -4.049 1.00 0.00 C ATOM 1354 C LYS A 96 13.905 -3.265 -4.707 1.00 0.00 C ATOM 1355 O LYS A 96 14.830 -2.812 -5.378 1.00 0.00 O ATOM 1356 CB LYS A 96 13.311 -1.839 -2.661 1.00 0.00 C ATOM 1357 CG LYS A 96 14.652 -1.104 -2.721 1.00 0.00 C ATOM 1358 CD LYS A 96 14.765 -0.077 -1.594 1.00 0.00 C ATOM 1359 CE LYS A 96 15.780 -0.526 -0.540 1.00 0.00 C ATOM 1360 NZ LYS A 96 16.582 0.623 -0.069 1.00 0.00 N ATOM 0 H LYS A 96 11.321 -3.294 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 96 12.835 -1.432 -4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.546 -1.175 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.387 -2.688 -1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.468 -1.823 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.754 -0.605 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 96 15.065 0.887 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.790 0.065 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.260 -0.983 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.437 -1.287 -0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.265 0.300 0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.093 1.042 -0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.953 1.336 0.351 1.00 0.00 H new ATOM 1369 N LYS A 97 13.697 -4.555 -4.488 1.00 0.00 N ATOM 1370 CA LYS A 97 14.582 -5.561 -5.050 1.00 0.00 C ATOM 1371 C LYS A 97 14.918 -5.189 -6.495 1.00 0.00 C ATOM 1372 O LYS A 97 16.072 -4.905 -6.815 1.00 0.00 O ATOM 1373 CB LYS A 97 13.972 -6.956 -4.899 1.00 0.00 C ATOM 1374 CG LYS A 97 15.037 -8.041 -5.063 1.00 0.00 C ATOM 1375 CD LYS A 97 14.598 -9.345 -4.393 1.00 0.00 C ATOM 1376 CE LYS A 97 15.736 -10.368 -4.389 1.00 0.00 C ATOM 1377 NZ LYS A 97 15.869 -10.990 -3.051 1.00 0.00 N ATOM 0 H LYS A 97 12.929 -4.927 -3.929 1.00 0.00 H new ATOM 0 HA LYS A 97 15.523 -5.589 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.503 -7.047 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.188 -7.096 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.222 -8.217 -6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.977 -7.702 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.281 -9.144 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.736 -9.756 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.544 -11.137 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.671 -9.881 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.646 -11.682 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.074 -10.254 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.981 -11.471 -2.802 1.00 0.00 H new ATOM 1386 N ALA A 98 13.889 -5.202 -7.330 1.00 0.00 N ATOM 1387 CA ALA A 98 14.061 -4.870 -8.734 1.00 0.00 C ATOM 1388 C ALA A 98 14.594 -3.442 -8.854 1.00 0.00 C ATOM 1389 O ALA A 98 15.214 -3.089 -9.857 1.00 0.00 O ATOM 1390 CB ALA A 98 12.732 -5.060 -9.469 1.00 0.00 C ATOM 0 H ALA A 98 12.934 -5.437 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 98 14.790 -5.534 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.860 -4.811 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.411 -6.098 -9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.977 -4.407 -9.031 1.00 0.00 H new ATOM 1396 N GLY A 99 14.337 -2.658 -7.817 1.00 0.00 N ATOM 1397 CA GLY A 99 14.784 -1.276 -7.794 1.00 0.00 C ATOM 1398 C GLY A 99 13.675 -0.333 -8.262 1.00 0.00 C ATOM 1399 O GLY A 99 13.892 0.499 -9.143 1.00 0.00 O ATOM 0 H GLY A 99 13.825 -2.954 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 99 15.093 -1.007 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.658 -1.162 -8.436 1.00 0.00 H new ATOM 1403 N LEU A 100 12.510 -0.492 -7.651 1.00 0.00 N ATOM 1404 CA LEU A 100 11.365 0.335 -7.994 1.00 0.00 C ATOM 1405 C LEU A 100 11.044 1.264 -6.821 1.00 0.00 C ATOM 1406 O LEU A 100 10.881 0.808 -5.690 1.00 0.00 O ATOM 1407 CB LEU A 100 10.186 -0.536 -8.430 1.00 0.00 C ATOM 1408 CG LEU A 100 10.488 -1.585 -9.502 1.00 0.00 C ATOM 1409 CD1 LEU A 100 9.794 -2.911 -9.183 1.00 0.00 C ATOM 1410 CD2 LEU A 100 10.121 -1.067 -10.895 1.00 0.00 C ATOM 0 H LEU A 100 12.334 -1.182 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 100 11.595 0.969 -8.850 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.792 -1.046 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.395 0.116 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 100 11.561 -1.775 -9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.025 -3.639 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.146 -3.284 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.716 -2.756 -9.140 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.346 -1.832 -11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.057 -0.831 -10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.699 -0.169 -11.113 1.00 0.00 H new ATOM 1421 N PRO A 101 10.959 2.583 -7.139 1.00 0.00 N ATOM 1422 CA PRO A 101 10.659 3.580 -6.125 1.00 0.00 C ATOM 1423 C PRO A 101 9.179 3.541 -5.740 1.00 0.00 C ATOM 1424 O PRO A 101 8.309 3.480 -6.608 1.00 0.00 O ATOM 1425 CB PRO A 101 11.079 4.905 -6.739 1.00 0.00 C ATOM 1426 CG PRO A 101 11.163 4.662 -8.238 1.00 0.00 C ATOM 1427 CD PRO A 101 11.145 3.160 -8.468 1.00 0.00 C ATOM 0 HA PRO A 101 11.192 3.404 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 101 10.356 5.688 -6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.040 5.232 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.325 5.137 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.074 5.100 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.337 2.872 -9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 101 12.075 2.818 -8.922 1.00 0.00 H new ATOM 1432 N VAL A 102 8.937 3.581 -4.438 1.00 0.00 N ATOM 1433 CA VAL A 102 7.578 3.551 -3.926 1.00 0.00 C ATOM 1434 C VAL A 102 6.952 4.940 -4.074 1.00 0.00 C ATOM 1435 O VAL A 102 7.619 5.882 -4.500 1.00 0.00 O ATOM 1436 CB VAL A 102 7.572 3.042 -2.484 1.00 0.00 C ATOM 1437 CG1 VAL A 102 7.717 1.520 -2.439 1.00 0.00 C ATOM 1438 CG2 VAL A 102 8.666 3.722 -1.658 1.00 0.00 C ATOM 0 H VAL A 102 9.661 3.634 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 102 6.968 2.856 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 102 6.610 3.300 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.710 1.184 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.887 1.059 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 102 8.657 1.230 -2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.640 3.342 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.640 3.510 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.499 4.799 -1.649 1.00 0.00 H new ATOM 1448 N ALA A 103 5.680 5.022 -3.713 1.00 0.00 N ATOM 1449 CA ALA A 103 4.958 6.279 -3.799 1.00 0.00 C ATOM 1450 C ALA A 103 5.336 7.163 -2.608 1.00 0.00 C ATOM 1451 O ALA A 103 4.495 7.462 -1.762 1.00 0.00 O ATOM 1452 CB ALA A 103 3.455 6.001 -3.865 1.00 0.00 C ATOM 0 H ALA A 103 5.131 4.238 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 103 5.231 6.816 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.913 6.944 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.235 5.395 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.144 5.465 -2.968 1.00 0.00 H new ATOM 1458 N VAL A 104 6.601 7.555 -2.581 1.00 0.00 N ATOM 1459 CA VAL A 104 7.100 8.398 -1.508 1.00 0.00 C ATOM 1460 C VAL A 104 6.881 9.867 -1.875 1.00 0.00 C ATOM 1461 O VAL A 104 7.837 10.590 -2.152 1.00 0.00 O ATOM 1462 CB VAL A 104 8.566 8.066 -1.221 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.691 6.734 -0.477 1.00 0.00 C ATOM 1464 CG2 VAL A 104 9.389 8.053 -2.510 1.00 0.00 C ATOM 0 H VAL A 104 7.295 7.304 -3.285 1.00 0.00 H new ATOM 0 HA VAL A 104 6.550 8.208 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 104 8.966 8.849 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.743 6.522 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.155 6.794 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.265 5.936 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.427 7.814 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.988 7.302 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.340 9.034 -2.983 1.00 0.00 H new ATOM 1474 N ASN A 105 5.617 10.264 -1.866 1.00 0.00 N ATOM 1475 CA ASN A 105 5.261 11.633 -2.193 1.00 0.00 C ATOM 1476 C ASN A 105 3.825 11.905 -1.739 1.00 0.00 C ATOM 1477 O ASN A 105 2.910 11.158 -2.081 1.00 0.00 O ATOM 1478 CB ASN A 105 5.332 11.874 -3.703 1.00 0.00 C ATOM 1479 CG ASN A 105 5.379 13.371 -4.018 1.00 0.00 C ATOM 1480 OD1 ASN A 105 4.728 14.185 -3.384 1.00 0.00 O ATOM 1481 ND2 ASN A 105 6.182 13.686 -5.029 1.00 0.00 N ATOM 0 H ASN A 105 4.827 9.661 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 105 5.965 12.294 -1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.216 11.385 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.466 11.424 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.282 14.659 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.699 12.954 -5.517 1.00 0.00 H new ATOM 1487 N LYS A 106 3.673 12.976 -0.975 1.00 0.00 N ATOM 1488 CA LYS A 106 2.365 13.356 -0.469 1.00 0.00 C ATOM 1489 C LYS A 106 1.538 13.957 -1.607 1.00 0.00 C ATOM 1490 O LYS A 106 2.031 14.790 -2.364 1.00 0.00 O ATOM 1491 CB LYS A 106 2.506 14.280 0.743 1.00 0.00 C ATOM 1492 CG LYS A 106 1.340 14.091 1.715 1.00 0.00 C ATOM 1493 CD LYS A 106 1.064 15.376 2.498 1.00 0.00 C ATOM 1494 CE LYS A 106 -0.419 15.746 2.439 1.00 0.00 C ATOM 1495 NZ LYS A 106 -0.799 16.554 3.620 1.00 0.00 N ATOM 0 H LYS A 106 4.435 13.593 -0.694 1.00 0.00 H new ATOM 0 HA LYS A 106 1.826 12.479 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.447 14.075 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.543 15.318 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.446 13.798 1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.567 13.281 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 106 1.369 15.246 3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.662 16.191 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.624 16.306 1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.025 14.841 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.809 16.797 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.622 16.007 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.234 17.427 3.640 1.00 0.00 H new ATOM 1504 N SER A 107 0.293 13.509 -1.692 1.00 0.00 N ATOM 1505 CA SER A 107 -0.607 13.993 -2.725 1.00 0.00 C ATOM 1506 C SER A 107 -0.253 13.353 -4.069 1.00 0.00 C ATOM 1507 O SER A 107 -1.085 12.687 -4.682 1.00 0.00 O ATOM 1508 CB SER A 107 -0.554 15.518 -2.833 1.00 0.00 C ATOM 1509 OG SER A 107 -1.854 16.100 -2.815 1.00 0.00 O ATOM 0 H SER A 107 -0.113 12.817 -1.063 1.00 0.00 H new ATOM 0 HA SER A 107 -1.624 13.711 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.034 15.920 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.044 15.799 -3.755 1.00 0.00 H new ATOM 0 HG SER A 107 -1.777 17.075 -2.884 1.00 0.00 H new ATOM 1514 N GLN A 108 0.985 13.579 -4.487 1.00 0.00 N ATOM 1515 CA GLN A 108 1.459 13.031 -5.747 1.00 0.00 C ATOM 1516 C GLN A 108 0.712 13.673 -6.918 1.00 0.00 C ATOM 1517 O GLN A 108 1.329 14.248 -7.813 1.00 0.00 O ATOM 1518 CB GLN A 108 1.317 11.509 -5.773 1.00 0.00 C ATOM 1519 CG GLN A 108 2.386 10.873 -6.664 1.00 0.00 C ATOM 1520 CD GLN A 108 1.943 10.861 -8.129 1.00 0.00 C ATOM 1521 OE1 GLN A 108 0.854 11.288 -8.478 1.00 0.00 O ATOM 1522 NE2 GLN A 108 2.845 10.352 -8.963 1.00 0.00 N ATOM 0 H GLN A 108 1.673 14.133 -3.976 1.00 0.00 H new ATOM 0 HA GLN A 108 2.519 13.264 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.401 11.115 -4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.326 11.239 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.321 11.425 -6.568 1.00 0.00 H new ATOM 0 HG3 GLN A 108 2.582 9.854 -6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.737 10.012 -8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.645 10.301 -9.962 1.00 0.00 H new TER 1529 GLN A 108