USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot -151:sc= -0.182 USER MOD Set 1.2: A 69 THR OG1 : rot -38:sc= -0.446! USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.0055 USER MOD Single : A 4 THR OG1 : rot 51:sc= 0.0132 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HD1:sc= -2.97! C(o=-4.7!,f=-3!) USER MOD Single : A 11 GLN : amide:sc= -0.933 K(o=-0.93,f=-2.1) 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 :FLIP no HD1:sc= -8.42! C(o=-12!,f=-8.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -3.11 K(o=-3.1,f=-9.5!) USER MOD Single : A 48 SER OG : rot 53:sc= 1.12 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc=-0.00816 K(o=-0.0082,f=-4.4!) USER MOD Single : A 58 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 62 HIS : no HE2:sc= -16.2! C(o=-16!,f=-16!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.8!) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.03 F(o=-2.1,f=-1) 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 ----------------------------------------------------------------- ATOM 29 N THR A 3 1.466 -18.312 -2.230 1.00 0.00 N ATOM 30 CA THR A 3 2.067 -18.585 -3.524 1.00 0.00 C ATOM 31 C THR A 3 3.355 -17.778 -3.696 1.00 0.00 C ATOM 32 O THR A 3 3.764 -17.486 -4.818 1.00 0.00 O ATOM 33 CB THR A 3 1.020 -18.296 -4.601 1.00 0.00 C ATOM 34 OG1 THR A 3 0.187 -19.451 -4.597 1.00 0.00 O ATOM 35 CG2 THR A 3 1.619 -18.273 -6.009 1.00 0.00 C ATOM 0 HA THR A 3 2.363 -19.630 -3.610 1.00 0.00 H new ATOM 0 HB THR A 3 0.543 -17.338 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.140 -19.817 -3.689 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.834 -18.064 -6.735 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.383 -17.497 -6.067 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.068 -19.241 -6.229 1.00 0.00 H new ATOM 43 N THR A 4 3.959 -17.440 -2.566 1.00 0.00 N ATOM 44 CA THR A 4 5.192 -16.672 -2.577 1.00 0.00 C ATOM 45 C THR A 4 5.585 -16.315 -4.012 1.00 0.00 C ATOM 46 O THR A 4 6.124 -17.148 -4.738 1.00 0.00 O ATOM 47 CB THR A 4 6.259 -17.482 -1.839 1.00 0.00 C ATOM 48 OG1 THR A 4 5.999 -18.830 -2.221 1.00 0.00 O ATOM 49 CG2 THR A 4 6.054 -17.478 -0.322 1.00 0.00 C ATOM 0 H THR A 4 3.617 -17.684 -1.637 1.00 0.00 H new ATOM 0 HA THR A 4 5.070 -15.720 -2.060 1.00 0.00 H new ATOM 0 HB THR A 4 7.245 -17.080 -2.073 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.939 -18.887 -3.197 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.838 -18.067 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.095 -16.454 0.048 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.082 -17.910 -0.085 1.00 0.00 H new ATOM 57 N ILE A 5 5.299 -15.073 -4.377 1.00 0.00 N ATOM 58 CA ILE A 5 5.615 -14.594 -5.712 1.00 0.00 C ATOM 59 C ILE A 5 6.785 -13.612 -5.632 1.00 0.00 C ATOM 60 O ILE A 5 6.893 -12.846 -4.676 1.00 0.00 O ATOM 61 CB ILE A 5 4.369 -14.014 -6.382 1.00 0.00 C ATOM 62 CG1 ILE A 5 4.695 -13.481 -7.779 1.00 0.00 C ATOM 63 CG2 ILE A 5 3.718 -12.947 -5.500 1.00 0.00 C ATOM 64 CD1 ILE A 5 4.811 -11.956 -7.771 1.00 0.00 C ATOM 0 H ILE A 5 4.852 -14.385 -3.771 1.00 0.00 H new ATOM 0 HA ILE A 5 5.934 -15.420 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 5 3.643 -14.817 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.630 -13.918 -8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.917 -13.786 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.834 -12.551 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.428 -13.390 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.427 -12.139 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.043 -11.603 -8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.867 -11.521 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.606 -11.655 -7.088 1.00 0.00 H new ATOM 75 N SER A 6 7.632 -13.666 -6.650 1.00 0.00 N ATOM 76 CA SER A 6 8.789 -12.790 -6.708 1.00 0.00 C ATOM 77 C SER A 6 8.347 -11.356 -7.009 1.00 0.00 C ATOM 78 O SER A 6 7.335 -11.142 -7.675 1.00 0.00 O ATOM 79 CB SER A 6 9.791 -13.269 -7.761 1.00 0.00 C ATOM 80 OG SER A 6 10.026 -14.671 -7.676 1.00 0.00 O ATOM 0 H SER A 6 7.539 -14.303 -7.441 1.00 0.00 H new ATOM 0 HA SER A 6 9.284 -12.814 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.417 -13.024 -8.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.733 -12.735 -7.634 1.00 0.00 H new ATOM 0 HG SER A 6 10.669 -14.937 -8.366 1.00 0.00 H new ATOM 85 N PRO A 7 9.148 -10.388 -6.491 1.00 0.00 N ATOM 86 CA PRO A 7 8.849 -8.981 -6.697 1.00 0.00 C ATOM 87 C PRO A 7 9.193 -8.550 -8.125 1.00 0.00 C ATOM 88 O PRO A 7 10.014 -7.656 -8.326 1.00 0.00 O ATOM 89 CB PRO A 7 9.662 -8.247 -5.643 1.00 0.00 C ATOM 90 CG PRO A 7 10.736 -9.222 -5.192 1.00 0.00 C ATOM 91 CD PRO A 7 10.354 -10.603 -5.697 1.00 0.00 C ATOM 0 HA PRO A 7 7.788 -8.757 -6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.105 -7.340 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.033 -7.944 -4.806 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.709 -8.927 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 7 10.819 -9.223 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.151 -11.039 -6.299 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.167 -11.289 -4.871 1.00 0.00 H new ATOM 96 N HIS A 8 8.551 -9.208 -9.078 1.00 0.00 N ATOM 97 CA HIS A 8 8.778 -8.904 -10.481 1.00 0.00 C ATOM 98 C HIS A 8 7.531 -9.259 -11.292 1.00 0.00 C ATOM 99 O HIS A 8 7.091 -8.478 -12.135 1.00 0.00 O ATOM 100 CB HIS A 8 10.038 -9.609 -10.991 1.00 0.00 C ATOM 101 CG HIS A 8 11.214 -9.521 -10.048 1.00 0.00 C ATOM 102 ND1 HIS A 8 11.461 -10.161 -8.869 1.00 0.00 N flip ATOM 103 CD2 HIS A 8 12.303 -8.700 -10.283 1.00 0.00 C flip ATOM 104 CE1 HIS A 8 12.637 -9.753 -8.409 1.00 0.00 C flip ATOM 105 NE2 HIS A 8 13.161 -8.846 -9.284 1.00 0.00 N flip ATOM 0 H HIS A 8 7.873 -9.951 -8.907 1.00 0.00 H new ATOM 0 HA HIS A 8 8.954 -7.835 -10.602 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.807 -10.659 -11.171 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.321 -9.176 -11.950 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.432 -8.050 -11.136 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.103 -10.084 -7.493 1.00 0.00 H new ATOM 0 HE2 HIS A 8 14.055 -8.365 -9.186 1.00 0.00 H new ATOM 112 N ASP A 9 6.996 -10.438 -11.010 1.00 0.00 N ATOM 113 CA ASP A 9 5.808 -10.905 -11.703 1.00 0.00 C ATOM 114 C ASP A 9 4.570 -10.260 -11.077 1.00 0.00 C ATOM 115 O ASP A 9 3.495 -10.260 -11.675 1.00 0.00 O ATOM 116 CB ASP A 9 5.662 -12.424 -11.582 1.00 0.00 C ATOM 117 CG ASP A 9 6.065 -13.214 -12.829 1.00 0.00 C ATOM 118 OD1 ASP A 9 7.214 -13.663 -12.956 1.00 0.00 O ATOM 119 OD2 ASP A 9 5.130 -13.363 -13.706 1.00 0.00 O ATOM 0 H ASP A 9 7.364 -11.084 -10.311 1.00 0.00 H new ATOM 0 HA ASP A 9 5.902 -10.634 -12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.267 -12.766 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.624 -12.656 -11.343 1.00 0.00 H new ATOM 124 N ALA A 10 4.763 -9.726 -9.880 1.00 0.00 N ATOM 125 CA ALA A 10 3.676 -9.077 -9.165 1.00 0.00 C ATOM 126 C ALA A 10 3.495 -7.655 -9.700 1.00 0.00 C ATOM 127 O ALA A 10 2.372 -7.172 -9.823 1.00 0.00 O ATOM 128 CB ALA A 10 3.964 -9.104 -7.664 1.00 0.00 C ATOM 0 H ALA A 10 5.656 -9.729 -9.387 1.00 0.00 H new ATOM 0 HA ALA A 10 2.739 -9.610 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.149 -8.617 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.052 -10.137 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.896 -8.576 -7.463 1.00 0.00 H new ATOM 134 N GLN A 11 4.621 -7.025 -10.004 1.00 0.00 N ATOM 135 CA GLN A 11 4.602 -5.668 -10.522 1.00 0.00 C ATOM 136 C GLN A 11 3.667 -5.573 -11.730 1.00 0.00 C ATOM 137 O GLN A 11 3.231 -4.484 -12.099 1.00 0.00 O ATOM 138 CB GLN A 11 6.012 -5.199 -10.882 1.00 0.00 C ATOM 139 CG GLN A 11 5.968 -3.916 -11.716 1.00 0.00 C ATOM 140 CD GLN A 11 7.373 -3.491 -12.144 1.00 0.00 C ATOM 141 OE1 GLN A 11 8.346 -4.209 -11.975 1.00 0.00 O ATOM 142 NE2 GLN A 11 7.427 -2.287 -12.706 1.00 0.00 N ATOM 0 H GLN A 11 5.552 -7.430 -9.901 1.00 0.00 H new ATOM 0 HA GLN A 11 4.223 -5.008 -9.742 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.585 -5.025 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.528 -5.981 -11.439 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.347 -4.073 -12.598 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.503 -3.118 -11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.575 -1.738 -12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.321 -1.913 -13.026 1.00 0.00 H new ATOM 149 N GLU A 12 3.388 -6.730 -12.313 1.00 0.00 N ATOM 150 CA GLU A 12 2.512 -6.792 -13.472 1.00 0.00 C ATOM 151 C GLU A 12 1.055 -6.939 -13.029 1.00 0.00 C ATOM 152 O GLU A 12 0.261 -6.012 -13.179 1.00 0.00 O ATOM 153 CB GLU A 12 2.920 -7.934 -14.405 1.00 0.00 C ATOM 154 CG GLU A 12 2.963 -7.463 -15.860 1.00 0.00 C ATOM 155 CD GLU A 12 2.408 -8.535 -16.800 1.00 0.00 C ATOM 156 OE1 GLU A 12 1.554 -9.337 -16.392 1.00 0.00 O ATOM 157 OE2 GLU A 12 2.895 -8.517 -17.995 1.00 0.00 O ATOM 0 H GLU A 12 3.753 -7.631 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 12 2.609 -5.859 -14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.899 -8.315 -14.113 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.214 -8.759 -14.307 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.384 -6.546 -15.966 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.990 -7.226 -16.139 1.00 0.00 H new ATOM 163 N LEU A 13 0.748 -8.111 -12.492 1.00 0.00 N ATOM 164 CA LEU A 13 -0.600 -8.390 -12.026 1.00 0.00 C ATOM 165 C LEU A 13 -1.149 -7.161 -11.299 1.00 0.00 C ATOM 166 O LEU A 13 -2.285 -6.752 -11.533 1.00 0.00 O ATOM 167 CB LEU A 13 -0.621 -9.665 -11.182 1.00 0.00 C ATOM 168 CG LEU A 13 0.528 -9.829 -10.186 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.107 -9.379 -8.785 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.058 -11.265 -10.191 1.00 0.00 C ATOM 0 H LEU A 13 1.409 -8.878 -12.369 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.263 -8.583 -12.870 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.561 -9.696 -10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.617 -10.522 -11.855 1.00 0.00 H new ATOM 0 HG LEU A 13 1.347 -9.182 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.942 -9.506 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.185 -8.329 -8.812 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.737 -9.981 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.874 -11.354 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.256 -11.950 -9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.422 -11.515 -11.188 1.00 0.00 H new ATOM 181 N ILE A 14 -0.316 -6.607 -10.431 1.00 0.00 N ATOM 182 CA ILE A 14 -0.704 -5.432 -9.667 1.00 0.00 C ATOM 183 C ILE A 14 -1.251 -4.368 -10.620 1.00 0.00 C ATOM 184 O ILE A 14 -2.203 -3.663 -10.288 1.00 0.00 O ATOM 185 CB ILE A 14 0.463 -4.946 -8.804 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.223 -5.266 -7.327 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.728 -3.457 -9.032 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.517 -5.714 -6.646 1.00 0.00 C ATOM 0 H ILE A 14 0.626 -6.949 -10.239 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.505 -5.677 -8.970 1.00 0.00 H new ATOM 0 HB ILE A 14 1.361 -5.484 -9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.173 -4.386 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.529 -6.050 -7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.562 -3.136 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.974 -3.288 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.162 -2.885 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.319 -5.935 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.897 -6.608 -7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.259 -4.918 -6.715 1.00 0.00 H new ATOM 199 N ALA A 15 -0.624 -4.284 -11.785 1.00 0.00 N ATOM 200 CA ALA A 15 -1.036 -3.316 -12.787 1.00 0.00 C ATOM 201 C ALA A 15 -2.100 -3.946 -13.690 1.00 0.00 C ATOM 202 O ALA A 15 -2.324 -3.482 -14.807 1.00 0.00 O ATOM 203 CB ALA A 15 0.188 -2.842 -13.573 1.00 0.00 C ATOM 0 H ALA A 15 0.165 -4.870 -12.057 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.480 -2.440 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.121 -2.116 -14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.901 -2.378 -12.891 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.658 -3.694 -14.064 1.00 0.00 H new ATOM 209 N ARG A 16 -2.727 -4.990 -13.171 1.00 0.00 N ATOM 210 CA ARG A 16 -3.763 -5.688 -13.916 1.00 0.00 C ATOM 211 C ARG A 16 -5.092 -5.628 -13.160 1.00 0.00 C ATOM 212 O ARG A 16 -6.152 -5.513 -13.773 1.00 0.00 O ATOM 213 CB ARG A 16 -3.382 -7.151 -14.150 1.00 0.00 C ATOM 214 CG ARG A 16 -2.072 -7.258 -14.934 1.00 0.00 C ATOM 215 CD ARG A 16 -1.918 -8.649 -15.552 1.00 0.00 C ATOM 216 NE ARG A 16 -1.678 -8.531 -17.009 1.00 0.00 N ATOM 217 CZ ARG A 16 -1.567 -9.585 -17.845 1.00 0.00 C ATOM 218 NH1 ARG A 16 -1.673 -10.846 -17.376 1.00 0.00 N ATOM 219 NH2 ARG A 16 -1.353 -9.364 -19.128 1.00 0.00 N ATOM 0 H ARG A 16 -2.539 -5.371 -12.244 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.868 -5.193 -14.882 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.280 -7.661 -13.192 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.179 -7.655 -14.696 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.051 -6.502 -15.719 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.230 -7.054 -14.273 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.089 -9.176 -15.080 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.816 -9.239 -15.369 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.591 -7.595 -17.405 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.838 -11.008 -16.383 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.588 -11.637 -18.015 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.274 -8.408 -19.475 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.267 -10.149 -19.773 1.00 0.00 H new ATOM 229 N GLY A 17 -4.991 -5.708 -11.842 1.00 0.00 N ATOM 230 CA GLY A 17 -6.172 -5.665 -10.997 1.00 0.00 C ATOM 231 C GLY A 17 -5.865 -6.202 -9.597 1.00 0.00 C ATOM 232 O GLY A 17 -6.524 -5.830 -8.628 1.00 0.00 O ATOM 0 H GLY A 17 -4.109 -5.802 -11.338 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.535 -4.640 -10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.969 -6.255 -11.450 1.00 0.00 H new ATOM 236 N ALA A 18 -4.864 -7.069 -9.537 1.00 0.00 N ATOM 237 CA ALA A 18 -4.462 -7.660 -8.273 1.00 0.00 C ATOM 238 C ALA A 18 -4.362 -6.564 -7.210 1.00 0.00 C ATOM 239 O ALA A 18 -3.644 -5.583 -7.392 1.00 0.00 O ATOM 240 CB ALA A 18 -3.145 -8.415 -8.458 1.00 0.00 C ATOM 0 H ALA A 18 -4.320 -7.376 -10.344 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.206 -8.381 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.843 -8.859 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.278 -9.202 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.374 -7.723 -8.797 1.00 0.00 H new ATOM 246 N LYS A 19 -5.093 -6.769 -6.124 1.00 0.00 N ATOM 247 CA LYS A 19 -5.096 -5.810 -5.032 1.00 0.00 C ATOM 248 C LYS A 19 -4.140 -6.287 -3.938 1.00 0.00 C ATOM 249 O LYS A 19 -4.277 -7.400 -3.430 1.00 0.00 O ATOM 250 CB LYS A 19 -6.522 -5.564 -4.538 1.00 0.00 C ATOM 251 CG LYS A 19 -6.920 -4.098 -4.716 1.00 0.00 C ATOM 252 CD LYS A 19 -6.484 -3.574 -6.087 1.00 0.00 C ATOM 253 CE LYS A 19 -7.397 -2.440 -6.557 1.00 0.00 C ATOM 254 NZ LYS A 19 -8.244 -2.890 -7.683 1.00 0.00 N ATOM 0 H LYS A 19 -5.687 -7.585 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.731 -4.842 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.215 -6.202 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.599 -5.840 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.000 -3.995 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.464 -3.496 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.455 -3.219 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.504 -4.386 -6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.026 -2.106 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.795 -1.585 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.858 -2.108 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.639 -3.187 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.832 -3.692 -7.377 1.00 0.00 H new ATOM 263 N LEU A 20 -3.192 -5.423 -3.606 1.00 0.00 N ATOM 264 CA LEU A 20 -2.213 -5.743 -2.581 1.00 0.00 C ATOM 265 C LEU A 20 -2.653 -5.126 -1.251 1.00 0.00 C ATOM 266 O LEU A 20 -3.172 -4.011 -1.222 1.00 0.00 O ATOM 267 CB LEU A 20 -0.812 -5.314 -3.024 1.00 0.00 C ATOM 268 CG LEU A 20 0.189 -5.033 -1.902 1.00 0.00 C ATOM 269 CD1 LEU A 20 1.585 -4.766 -2.468 1.00 0.00 C ATOM 270 CD2 LEU A 20 -0.295 -3.889 -1.009 1.00 0.00 C ATOM 0 H LEU A 20 -3.081 -4.501 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.158 -6.821 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.400 -6.094 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.905 -4.416 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 20 0.259 -5.923 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.278 -4.569 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.923 -5.638 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.550 -3.901 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.435 -3.710 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.412 -2.985 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.253 -4.156 -0.563 1.00 0.00 H new ATOM 281 N ILE A 21 -2.430 -5.879 -0.184 1.00 0.00 N ATOM 282 CA ILE A 21 -2.798 -5.420 1.145 1.00 0.00 C ATOM 283 C ILE A 21 -1.529 -5.099 1.938 1.00 0.00 C ATOM 284 O ILE A 21 -0.520 -5.792 1.809 1.00 0.00 O ATOM 285 CB ILE A 21 -3.710 -6.439 1.830 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.734 -7.008 0.847 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.378 -5.833 3.067 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.472 -5.887 0.114 1.00 0.00 C ATOM 0 H ILE A 21 -1.999 -6.803 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.378 -4.499 1.083 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.095 -7.272 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.231 -7.651 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.451 -7.630 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.021 -6.578 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.613 -5.517 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.977 -4.971 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.194 -6.319 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.993 -5.261 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.755 -5.281 -0.440 1.00 0.00 H new ATOM 299 N ASP A 22 -1.621 -4.050 2.741 1.00 0.00 N ATOM 300 CA ASP A 22 -0.492 -3.628 3.554 1.00 0.00 C ATOM 301 C ASP A 22 -0.713 -4.085 4.999 1.00 0.00 C ATOM 302 O ASP A 22 -1.075 -3.282 5.858 1.00 0.00 O ATOM 303 CB ASP A 22 -0.352 -2.105 3.556 1.00 0.00 C ATOM 304 CG ASP A 22 0.042 -1.491 2.211 1.00 0.00 C ATOM 305 OD1 ASP A 22 0.109 -0.261 2.066 1.00 0.00 O ATOM 306 OD2 ASP A 22 0.291 -2.342 1.275 1.00 0.00 O ATOM 0 H ASP A 22 -2.460 -3.479 2.847 1.00 0.00 H new ATOM 0 HA ASP A 22 0.411 -4.071 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.299 -1.668 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.394 -1.825 4.299 1.00 0.00 H new ATOM 311 N ILE A 23 -0.485 -5.371 5.221 1.00 0.00 N ATOM 312 CA ILE A 23 -0.654 -5.943 6.546 1.00 0.00 C ATOM 313 C ILE A 23 0.571 -5.611 7.399 1.00 0.00 C ATOM 314 O ILE A 23 1.202 -6.505 7.960 1.00 0.00 O ATOM 315 CB ILE A 23 -0.948 -7.441 6.449 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.339 -8.240 6.243 1.00 0.00 C ATOM 317 CG2 ILE A 23 -1.982 -7.728 5.357 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.620 -9.146 7.443 1.00 0.00 C ATOM 0 H ILE A 23 -0.185 -6.033 4.506 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.519 -5.504 7.044 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.381 -7.766 7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.256 -8.843 5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.175 -7.557 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.173 -8.800 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.910 -7.204 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.601 -7.384 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.541 -9.703 7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.727 -8.538 8.341 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.207 -9.844 7.574 1.00 0.00 H new ATOM 329 N ARG A 24 0.872 -4.321 7.471 1.00 0.00 N ATOM 330 CA ARG A 24 2.010 -3.861 8.247 1.00 0.00 C ATOM 331 C ARG A 24 1.605 -2.682 9.134 1.00 0.00 C ATOM 332 O ARG A 24 1.307 -2.862 10.314 1.00 0.00 O ATOM 333 CB ARG A 24 3.161 -3.431 7.335 1.00 0.00 C ATOM 334 CG ARG A 24 2.646 -3.052 5.945 1.00 0.00 C ATOM 335 CD ARG A 24 3.576 -2.038 5.274 1.00 0.00 C ATOM 336 NE ARG A 24 2.814 -0.826 4.898 1.00 0.00 N ATOM 337 CZ ARG A 24 3.112 -0.044 3.839 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.159 -0.341 3.040 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.364 1.016 3.595 1.00 0.00 N ATOM 0 H ARG A 24 0.347 -3.581 7.004 1.00 0.00 H new ATOM 0 HA ARG A 24 2.345 -4.691 8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.683 -2.582 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.885 -4.241 7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.569 -3.946 5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.643 -2.633 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.387 -1.772 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.032 -2.480 4.388 1.00 0.00 H new ATOM 0 HE ARG A 24 2.014 -0.566 5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.732 -1.162 3.234 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.377 0.256 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.574 1.234 4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.576 1.617 2.799 1.00 0.00 H new ATOM 349 N ASP A 25 1.607 -1.501 8.534 1.00 0.00 N ATOM 350 CA ASP A 25 1.243 -0.293 9.255 1.00 0.00 C ATOM 351 C ASP A 25 0.895 0.808 8.253 1.00 0.00 C ATOM 352 O ASP A 25 0.755 0.546 7.059 1.00 0.00 O ATOM 353 CB ASP A 25 2.404 0.203 10.119 1.00 0.00 C ATOM 354 CG ASP A 25 2.093 0.326 11.612 1.00 0.00 C ATOM 355 OD1 ASP A 25 0.937 0.538 12.007 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.110 0.194 12.393 1.00 0.00 O ATOM 0 H ASP A 25 1.855 -1.355 7.556 1.00 0.00 H new ATOM 0 HA ASP A 25 0.391 -0.525 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.247 -0.477 9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.723 1.177 9.748 1.00 0.00 H new ATOM 361 N ALA A 26 0.765 2.019 8.774 1.00 0.00 N ATOM 362 CA ALA A 26 0.435 3.163 7.940 1.00 0.00 C ATOM 363 C ALA A 26 1.627 4.122 7.903 1.00 0.00 C ATOM 364 O ALA A 26 1.922 4.711 6.864 1.00 0.00 O ATOM 365 CB ALA A 26 -0.834 3.831 8.469 1.00 0.00 C ATOM 0 H ALA A 26 0.882 2.233 9.764 1.00 0.00 H new ATOM 0 HA ALA A 26 0.234 2.847 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.081 4.689 7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.657 3.117 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.670 4.164 9.494 1.00 0.00 H new ATOM 371 N ASP A 27 2.280 4.248 9.049 1.00 0.00 N ATOM 372 CA ASP A 27 3.433 5.125 9.160 1.00 0.00 C ATOM 373 C ASP A 27 4.275 5.018 7.888 1.00 0.00 C ATOM 374 O ASP A 27 4.804 6.017 7.404 1.00 0.00 O ATOM 375 CB ASP A 27 4.315 4.728 10.346 1.00 0.00 C ATOM 376 CG ASP A 27 3.849 5.256 11.704 1.00 0.00 C ATOM 377 OD1 ASP A 27 4.498 6.122 12.310 1.00 0.00 O ATOM 378 OD2 ASP A 27 2.755 4.735 12.147 1.00 0.00 O ATOM 0 H ASP A 27 2.033 3.758 9.908 1.00 0.00 H new ATOM 0 HA ASP A 27 3.070 6.142 9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.365 3.640 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.328 5.086 10.162 1.00 0.00 H new ATOM 383 N GLU A 28 4.373 3.798 7.383 1.00 0.00 N ATOM 384 CA GLU A 28 5.142 3.546 6.175 1.00 0.00 C ATOM 385 C GLU A 28 4.524 4.290 4.988 1.00 0.00 C ATOM 386 O GLU A 28 5.208 5.049 4.303 1.00 0.00 O ATOM 387 CB GLU A 28 5.242 2.046 5.890 1.00 0.00 C ATOM 388 CG GLU A 28 5.604 1.271 7.158 1.00 0.00 C ATOM 389 CD GLU A 28 6.656 2.020 7.978 1.00 0.00 C ATOM 390 OE1 GLU A 28 7.699 2.415 7.436 1.00 0.00 O ATOM 391 OE2 GLU A 28 6.359 2.189 9.222 1.00 0.00 O ATOM 0 H GLU A 28 3.933 2.972 7.788 1.00 0.00 H new ATOM 0 HA GLU A 28 6.154 3.921 6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.293 1.683 5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.995 1.867 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.710 1.117 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.982 0.284 6.890 1.00 0.00 H new ATOM 397 N TYR A 29 3.238 4.046 4.783 1.00 0.00 N ATOM 398 CA TYR A 29 2.522 4.683 3.691 1.00 0.00 C ATOM 399 C TYR A 29 2.687 6.204 3.740 1.00 0.00 C ATOM 400 O TYR A 29 2.500 6.885 2.733 1.00 0.00 O ATOM 401 CB TYR A 29 1.046 4.335 3.897 1.00 0.00 C ATOM 402 CG TYR A 29 0.096 5.070 2.948 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.308 6.358 3.236 1.00 0.00 C ATOM 404 CD2 TYR A 29 -0.357 4.444 1.804 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.202 7.048 2.343 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.251 5.134 0.912 1.00 0.00 C ATOM 407 CZ TYR A 29 -1.629 6.402 1.225 1.00 0.00 C ATOM 408 OH TYR A 29 -2.474 7.055 0.381 1.00 0.00 O ATOM 0 H TYR A 29 2.674 3.417 5.354 1.00 0.00 H new ATOM 0 HA TYR A 29 2.903 4.340 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.915 3.261 3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.768 4.567 4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.046 6.848 4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.040 3.436 1.578 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.526 8.056 2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.613 4.655 0.014 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.695 6.473 -0.376 1.00 0.00 H new ATOM 417 N LEU A 30 3.035 6.691 4.922 1.00 0.00 N ATOM 418 CA LEU A 30 3.227 8.118 5.115 1.00 0.00 C ATOM 419 C LEU A 30 4.201 8.645 4.058 1.00 0.00 C ATOM 420 O LEU A 30 3.783 9.241 3.066 1.00 0.00 O ATOM 421 CB LEU A 30 3.663 8.411 6.552 1.00 0.00 C ATOM 422 CG LEU A 30 3.202 9.749 7.134 1.00 0.00 C ATOM 423 CD1 LEU A 30 3.993 10.911 6.530 1.00 0.00 C ATOM 424 CD2 LEU A 30 1.694 9.931 6.961 1.00 0.00 C ATOM 0 H LEU A 30 3.189 6.123 5.755 1.00 0.00 H new ATOM 0 HA LEU A 30 2.286 8.651 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.292 7.611 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.752 8.375 6.595 1.00 0.00 H new ATOM 0 HG LEU A 30 3.405 9.744 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.646 11.850 6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.053 10.782 6.748 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.844 10.930 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.392 10.890 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.444 9.907 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.169 9.127 7.476 1.00 0.00 H new ATOM 435 N ARG A 31 5.480 8.407 4.307 1.00 0.00 N ATOM 436 CA ARG A 31 6.516 8.849 3.389 1.00 0.00 C ATOM 437 C ARG A 31 6.469 8.028 2.099 1.00 0.00 C ATOM 438 O ARG A 31 6.261 8.577 1.017 1.00 0.00 O ATOM 439 CB ARG A 31 7.904 8.716 4.019 1.00 0.00 C ATOM 440 CG ARG A 31 7.899 9.214 5.465 1.00 0.00 C ATOM 441 CD ARG A 31 7.719 8.053 6.445 1.00 0.00 C ATOM 442 NE ARG A 31 8.774 8.098 7.484 1.00 0.00 N ATOM 443 CZ ARG A 31 9.008 7.107 8.369 1.00 0.00 C ATOM 444 NH1 ARG A 31 8.262 5.982 8.350 1.00 0.00 N ATOM 445 NH2 ARG A 31 9.976 7.254 9.254 1.00 0.00 N ATOM 0 H ARG A 31 5.823 7.914 5.131 1.00 0.00 H new ATOM 0 HA ARG A 31 6.331 9.899 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.222 7.674 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.628 9.286 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.834 9.732 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.095 9.937 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.735 8.109 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.764 7.104 5.910 1.00 0.00 H new ATOM 0 HE ARG A 31 9.361 8.931 7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.515 5.877 7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.445 5.237 9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.534 8.108 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.166 6.514 9.930 1.00 0.00 H new ATOM 455 N GLU A 32 6.664 6.728 2.256 1.00 0.00 N ATOM 456 CA GLU A 32 6.646 5.825 1.117 1.00 0.00 C ATOM 457 C GLU A 32 5.260 5.198 0.958 1.00 0.00 C ATOM 458 O GLU A 32 4.311 5.603 1.627 1.00 0.00 O ATOM 459 CB GLU A 32 7.724 4.748 1.253 1.00 0.00 C ATOM 460 CG GLU A 32 9.124 5.360 1.179 1.00 0.00 C ATOM 461 CD GLU A 32 9.882 5.156 2.492 1.00 0.00 C ATOM 462 OE1 GLU A 32 10.416 4.065 2.737 1.00 0.00 O ATOM 463 OE2 GLU A 32 9.904 6.184 3.273 1.00 0.00 O ATOM 0 H GLU A 32 6.835 6.277 3.155 1.00 0.00 H new ATOM 0 HA GLU A 32 6.867 6.401 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.602 4.224 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.605 4.007 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.681 4.905 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.048 6.425 0.961 1.00 0.00 H new ATOM 469 N HIS A 33 5.186 4.219 0.069 1.00 0.00 N ATOM 470 CA HIS A 33 3.933 3.531 -0.186 1.00 0.00 C ATOM 471 C HIS A 33 4.214 2.076 -0.568 1.00 0.00 C ATOM 472 O HIS A 33 4.707 1.301 0.249 1.00 0.00 O ATOM 473 CB HIS A 33 3.111 4.273 -1.242 1.00 0.00 C ATOM 474 CG HIS A 33 2.552 5.594 -0.768 1.00 0.00 C ATOM 475 ND1 HIS A 33 3.180 6.745 -0.393 1.00 0.00 N flip ATOM 476 CD2 HIS A 33 1.194 5.831 -0.640 1.00 0.00 C flip ATOM 477 CE1 HIS A 33 2.258 7.636 -0.055 1.00 0.00 C flip ATOM 478 NE2 HIS A 33 1.026 7.072 -0.207 1.00 0.00 N flip ATOM 0 H HIS A 33 5.975 3.886 -0.485 1.00 0.00 H new ATOM 0 HA HIS A 33 3.328 3.522 0.721 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.736 4.448 -2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.287 3.635 -1.561 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.406 5.125 -0.856 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.451 8.643 0.285 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.132 7.526 -0.020 1.00 0.00 H new ATOM 485 N ILE A 34 3.885 1.750 -1.810 1.00 0.00 N ATOM 486 CA ILE A 34 4.096 0.403 -2.310 1.00 0.00 C ATOM 487 C ILE A 34 3.497 0.285 -3.713 1.00 0.00 C ATOM 488 O ILE A 34 2.780 1.177 -4.163 1.00 0.00 O ATOM 489 CB ILE A 34 3.550 -0.629 -1.320 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.636 -1.627 -0.912 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.311 -1.327 -1.882 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.042 -3.017 -0.677 1.00 0.00 C ATOM 0 H ILE A 34 3.474 2.396 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 34 5.162 0.193 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 34 3.241 -0.104 -0.416 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.397 -1.680 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.131 -1.281 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.944 -2.055 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.535 -0.588 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.570 -1.837 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.835 -3.707 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.298 -2.965 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.569 -3.370 -1.593 1.00 0.00 H new ATOM 503 N PRO A 35 3.821 -0.854 -4.383 1.00 0.00 N ATOM 504 CA PRO A 35 3.323 -1.100 -5.725 1.00 0.00 C ATOM 505 C PRO A 35 1.846 -1.497 -5.698 1.00 0.00 C ATOM 506 O PRO A 35 1.500 -2.638 -5.998 1.00 0.00 O ATOM 507 CB PRO A 35 4.221 -2.193 -6.283 1.00 0.00 C ATOM 508 CG PRO A 35 4.886 -2.841 -5.080 1.00 0.00 C ATOM 509 CD PRO A 35 4.668 -1.933 -3.881 1.00 0.00 C ATOM 0 HA PRO A 35 3.358 -0.212 -6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.642 -2.923 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.964 -1.778 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.461 -3.827 -4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.951 -2.982 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.186 -2.467 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.613 -1.549 -3.498 1.00 0.00 H new ATOM 514 N GLU A 36 1.015 -0.531 -5.334 1.00 0.00 N ATOM 515 CA GLU A 36 -0.419 -0.765 -5.263 1.00 0.00 C ATOM 516 C GLU A 36 -0.809 -1.250 -3.866 1.00 0.00 C ATOM 517 O GLU A 36 -0.539 -2.394 -3.505 1.00 0.00 O ATOM 518 CB GLU A 36 -0.865 -1.762 -6.335 1.00 0.00 C ATOM 519 CG GLU A 36 -2.246 -1.397 -6.882 1.00 0.00 C ATOM 520 CD GLU A 36 -3.201 -2.590 -6.799 1.00 0.00 C ATOM 521 OE1 GLU A 36 -3.991 -2.817 -7.727 1.00 0.00 O ATOM 522 OE2 GLU A 36 -3.101 -3.295 -5.723 1.00 0.00 O ATOM 0 H GLU A 36 1.306 0.414 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.932 0.178 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.140 -1.776 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.891 -2.767 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.655 -0.559 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.156 -1.070 -7.918 1.00 0.00 H new ATOM 528 N ALA A 37 -1.438 -0.355 -3.118 1.00 0.00 N ATOM 529 CA ALA A 37 -1.868 -0.678 -1.769 1.00 0.00 C ATOM 530 C ALA A 37 -3.028 0.238 -1.375 1.00 0.00 C ATOM 531 O ALA A 37 -3.196 1.314 -1.946 1.00 0.00 O ATOM 532 CB ALA A 37 -0.680 -0.559 -0.811 1.00 0.00 C ATOM 0 H ALA A 37 -1.660 0.593 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.227 -1.706 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.003 -0.801 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.105 -1.251 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.294 0.460 -0.834 1.00 0.00 H new ATOM 538 N ASP A 38 -3.801 -0.223 -0.401 1.00 0.00 N ATOM 539 CA ASP A 38 -4.940 0.542 0.076 1.00 0.00 C ATOM 540 C ASP A 38 -4.872 0.652 1.600 1.00 0.00 C ATOM 541 O ASP A 38 -5.866 0.981 2.247 1.00 0.00 O ATOM 542 CB ASP A 38 -6.257 -0.146 -0.291 1.00 0.00 C ATOM 543 CG ASP A 38 -7.252 0.728 -1.057 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.312 0.691 -2.295 1.00 0.00 O ATOM 545 OD2 ASP A 38 -7.996 1.481 -0.320 1.00 0.00 O ATOM 0 H ASP A 38 -3.660 -1.117 0.070 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.905 1.527 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.034 -1.028 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.734 -0.496 0.624 1.00 0.00 H new ATOM 550 N LEU A 39 -3.692 0.372 2.130 1.00 0.00 N ATOM 551 CA LEU A 39 -3.481 0.436 3.567 1.00 0.00 C ATOM 552 C LEU A 39 -4.408 -0.565 4.258 1.00 0.00 C ATOM 553 O LEU A 39 -5.628 -0.479 4.130 1.00 0.00 O ATOM 554 CB LEU A 39 -3.645 1.872 4.068 1.00 0.00 C ATOM 555 CG LEU A 39 -3.546 2.069 5.582 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.439 1.198 6.178 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.364 3.547 5.933 1.00 0.00 C ATOM 0 H LEU A 39 -2.870 0.100 1.590 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.459 0.150 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.886 2.491 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.614 2.243 3.736 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.486 1.746 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.391 1.358 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.653 0.149 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.483 1.466 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.297 3.658 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.450 3.920 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.216 4.117 5.562 1.00 0.00 H new ATOM 568 N ALA A 40 -3.793 -1.493 4.977 1.00 0.00 N ATOM 569 CA ALA A 40 -4.547 -2.511 5.689 1.00 0.00 C ATOM 570 C ALA A 40 -3.589 -3.351 6.537 1.00 0.00 C ATOM 571 O ALA A 40 -3.138 -4.410 6.105 1.00 0.00 O ATOM 572 CB ALA A 40 -5.334 -3.358 4.687 1.00 0.00 C ATOM 0 H ALA A 40 -2.781 -1.561 5.082 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.268 -2.051 6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.900 -4.122 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.021 -2.720 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.643 -3.837 3.994 1.00 0.00 H new ATOM 578 N PRO A 41 -3.300 -2.831 7.760 1.00 0.00 N ATOM 579 CA PRO A 41 -2.403 -3.521 8.672 1.00 0.00 C ATOM 580 C PRO A 41 -3.093 -4.729 9.310 1.00 0.00 C ATOM 581 O PRO A 41 -4.311 -4.873 9.217 1.00 0.00 O ATOM 582 CB PRO A 41 -1.989 -2.469 9.688 1.00 0.00 C ATOM 583 CG PRO A 41 -3.023 -1.359 9.584 1.00 0.00 C ATOM 584 CD PRO A 41 -3.815 -1.579 8.305 1.00 0.00 C ATOM 0 HA PRO A 41 -1.529 -3.936 8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.964 -2.887 10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.989 -2.092 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.685 -1.371 10.450 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.536 -0.384 9.569 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.884 -1.646 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.674 -0.755 7.605 1.00 0.00 H new ATOM 589 N LEU A 42 -2.285 -5.566 9.943 1.00 0.00 N ATOM 590 CA LEU A 42 -2.801 -6.756 10.596 1.00 0.00 C ATOM 591 C LEU A 42 -3.802 -6.345 11.678 1.00 0.00 C ATOM 592 O LEU A 42 -4.953 -6.780 11.662 1.00 0.00 O ATOM 593 CB LEU A 42 -1.653 -7.622 11.118 1.00 0.00 C ATOM 594 CG LEU A 42 -1.911 -9.130 11.147 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.377 -9.634 9.780 1.00 0.00 C ATOM 596 CD2 LEU A 42 -0.680 -9.888 11.648 1.00 0.00 C ATOM 0 H LEU A 42 -1.275 -5.443 10.017 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.340 -7.379 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.774 -7.436 10.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.408 -7.296 12.129 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.718 -9.324 11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.553 -10.709 9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.301 -9.127 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.610 -9.426 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.891 -10.957 11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.163 -9.691 10.986 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.434 -9.557 12.657 1.00 0.00 H new ATOM 607 N SER A 43 -3.328 -5.512 12.592 1.00 0.00 N ATOM 608 CA SER A 43 -4.167 -5.037 13.679 1.00 0.00 C ATOM 609 C SER A 43 -5.552 -4.665 13.147 1.00 0.00 C ATOM 610 O SER A 43 -6.533 -4.689 13.889 1.00 0.00 O ATOM 611 CB SER A 43 -3.528 -3.839 14.385 1.00 0.00 C ATOM 612 OG SER A 43 -2.886 -4.214 15.599 1.00 0.00 O ATOM 0 H SER A 43 -2.373 -5.153 12.602 1.00 0.00 H new ATOM 0 HA SER A 43 -4.270 -5.840 14.408 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.801 -3.372 13.720 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.293 -3.092 14.596 1.00 0.00 H new ATOM 0 HG SER A 43 -2.490 -3.422 16.018 1.00 0.00 H new ATOM 617 N VAL A 44 -5.587 -4.329 11.866 1.00 0.00 N ATOM 618 CA VAL A 44 -6.837 -3.951 11.226 1.00 0.00 C ATOM 619 C VAL A 44 -7.481 -5.192 10.604 1.00 0.00 C ATOM 620 O VAL A 44 -8.696 -5.369 10.682 1.00 0.00 O ATOM 621 CB VAL A 44 -6.588 -2.835 10.210 1.00 0.00 C ATOM 622 CG1 VAL A 44 -7.858 -2.519 9.418 1.00 0.00 C ATOM 623 CG2 VAL A 44 -6.045 -1.580 10.897 1.00 0.00 C ATOM 0 H VAL A 44 -4.771 -4.310 11.254 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.537 -3.554 11.960 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.834 -3.186 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.652 -1.722 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.185 -3.411 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.643 -2.198 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.876 -0.802 10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.767 -1.227 11.634 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.104 -1.816 11.395 1.00 0.00 H new ATOM 633 N LEU A 45 -6.639 -6.018 10.002 1.00 0.00 N ATOM 634 CA LEU A 45 -7.111 -7.238 9.368 1.00 0.00 C ATOM 635 C LEU A 45 -7.786 -8.123 10.416 1.00 0.00 C ATOM 636 O LEU A 45 -8.891 -8.619 10.197 1.00 0.00 O ATOM 637 CB LEU A 45 -5.970 -7.929 8.620 1.00 0.00 C ATOM 638 CG LEU A 45 -5.609 -7.340 7.255 1.00 0.00 C ATOM 639 CD1 LEU A 45 -5.941 -8.322 6.129 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.281 -5.981 7.048 1.00 0.00 C ATOM 0 H LEU A 45 -5.632 -5.867 9.939 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.863 -7.009 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.081 -7.904 9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.235 -8.977 8.483 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.532 -7.173 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.675 -7.879 5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.377 -9.244 6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.008 -8.544 6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.007 -5.585 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.363 -6.098 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.952 -5.290 7.824 1.00 0.00 H new ATOM 651 N GLU A 46 -7.094 -8.298 11.532 1.00 0.00 N ATOM 652 CA GLU A 46 -7.613 -9.116 12.615 1.00 0.00 C ATOM 653 C GLU A 46 -8.827 -8.441 13.255 1.00 0.00 C ATOM 654 O GLU A 46 -9.660 -9.107 13.868 1.00 0.00 O ATOM 655 CB GLU A 46 -6.529 -9.397 13.658 1.00 0.00 C ATOM 656 CG GLU A 46 -5.966 -10.811 13.496 1.00 0.00 C ATOM 657 CD GLU A 46 -6.196 -11.641 14.759 1.00 0.00 C ATOM 658 OE1 GLU A 46 -5.301 -11.728 15.614 1.00 0.00 O ATOM 659 OE2 GLU A 46 -7.352 -12.207 14.838 1.00 0.00 O ATOM 0 H GLU A 46 -6.178 -7.887 11.710 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.930 -10.073 12.201 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.725 -8.668 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.943 -9.279 14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.440 -11.299 12.644 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.899 -10.759 13.280 1.00 0.00 H new ATOM 665 N GLN A 47 -8.890 -7.128 13.091 1.00 0.00 N ATOM 666 CA GLN A 47 -9.989 -6.356 13.646 1.00 0.00 C ATOM 667 C GLN A 47 -11.182 -6.367 12.688 1.00 0.00 C ATOM 668 O GLN A 47 -12.326 -6.223 13.115 1.00 0.00 O ATOM 669 CB GLN A 47 -9.551 -4.924 13.957 1.00 0.00 C ATOM 670 CG GLN A 47 -9.257 -4.752 15.449 1.00 0.00 C ATOM 671 CD GLN A 47 -8.225 -5.776 15.925 1.00 0.00 C ATOM 672 OE1 GLN A 47 -8.361 -6.972 15.726 1.00 0.00 O ATOM 673 NE2 GLN A 47 -7.188 -5.242 16.565 1.00 0.00 N ATOM 0 H GLN A 47 -8.198 -6.579 12.582 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.295 -6.820 14.584 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.662 -4.678 13.377 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.332 -4.227 13.654 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.888 -3.744 15.637 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.178 -4.866 16.021 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.136 -4.232 16.698 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.445 -5.843 16.923 1.00 0.00 H new ATOM 680 N SER A 48 -10.874 -6.542 11.411 1.00 0.00 N ATOM 681 CA SER A 48 -11.907 -6.574 10.389 1.00 0.00 C ATOM 682 C SER A 48 -11.666 -7.749 9.439 1.00 0.00 C ATOM 683 O SER A 48 -12.451 -8.696 9.405 1.00 0.00 O ATOM 684 CB SER A 48 -11.951 -5.260 9.608 1.00 0.00 C ATOM 685 OG SER A 48 -10.905 -4.373 9.996 1.00 0.00 O ATOM 0 H SER A 48 -9.924 -6.663 11.061 1.00 0.00 H new ATOM 0 HA SER A 48 -12.871 -6.704 10.881 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.872 -5.469 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.915 -4.776 9.767 1.00 0.00 H new ATOM 0 HG SER A 48 -10.045 -4.839 9.944 1.00 0.00 H new ATOM 690 N GLY A 49 -10.578 -7.650 8.691 1.00 0.00 N ATOM 691 CA GLY A 49 -10.224 -8.693 7.743 1.00 0.00 C ATOM 692 C GLY A 49 -10.143 -8.136 6.320 1.00 0.00 C ATOM 693 O GLY A 49 -10.182 -6.923 6.121 1.00 0.00 O ATOM 0 H GLY A 49 -9.929 -6.863 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.266 -9.132 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.964 -9.492 7.783 1.00 0.00 H new ATOM 697 N LEU A 50 -10.034 -9.050 5.367 1.00 0.00 N ATOM 698 CA LEU A 50 -9.947 -8.666 3.968 1.00 0.00 C ATOM 699 C LEU A 50 -11.197 -7.870 3.585 1.00 0.00 C ATOM 700 O LEU A 50 -12.315 -8.371 3.692 1.00 0.00 O ATOM 701 CB LEU A 50 -9.708 -9.894 3.089 1.00 0.00 C ATOM 702 CG LEU A 50 -9.252 -9.614 1.655 1.00 0.00 C ATOM 703 CD1 LEU A 50 -10.322 -8.843 0.880 1.00 0.00 C ATOM 704 CD2 LEU A 50 -7.902 -8.894 1.639 1.00 0.00 C ATOM 0 H LEU A 50 -10.004 -10.055 5.536 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.089 -8.014 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.959 -10.521 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.631 -10.473 3.049 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.113 -10.569 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.973 -8.657 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.240 -9.429 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.517 -7.892 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.601 -8.707 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.989 -7.946 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.152 -9.516 2.129 1.00 0.00 H new ATOM 715 N PRO A 51 -10.959 -6.609 3.134 1.00 0.00 N ATOM 716 CA PRO A 51 -12.052 -5.738 2.734 1.00 0.00 C ATOM 717 C PRO A 51 -12.615 -6.155 1.375 1.00 0.00 C ATOM 718 O PRO A 51 -12.047 -7.011 0.699 1.00 0.00 O ATOM 719 CB PRO A 51 -11.458 -4.339 2.728 1.00 0.00 C ATOM 720 CG PRO A 51 -9.951 -4.526 2.670 1.00 0.00 C ATOM 721 CD PRO A 51 -9.649 -5.981 2.995 1.00 0.00 C ATOM 0 HA PRO A 51 -12.903 -5.791 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.814 -3.767 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.749 -3.787 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.572 -4.269 1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.457 -3.865 3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.067 -6.451 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.068 -6.069 3.913 1.00 0.00 H new ATOM 726 N ALA A 52 -13.727 -5.530 1.014 1.00 0.00 N ATOM 727 CA ALA A 52 -14.373 -5.825 -0.254 1.00 0.00 C ATOM 728 C ALA A 52 -13.617 -5.122 -1.383 1.00 0.00 C ATOM 729 O ALA A 52 -13.134 -5.770 -2.310 1.00 0.00 O ATOM 730 CB ALA A 52 -15.844 -5.407 -0.186 1.00 0.00 C ATOM 0 H ALA A 52 -14.197 -4.821 1.577 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.347 -6.895 -0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.329 -5.628 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.342 -5.957 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.909 -4.338 0.015 1.00 0.00 H new ATOM 736 N LYS A 53 -13.540 -3.804 -1.269 1.00 0.00 N ATOM 737 CA LYS A 53 -12.851 -3.006 -2.269 1.00 0.00 C ATOM 738 C LYS A 53 -11.581 -3.735 -2.712 1.00 0.00 C ATOM 739 O LYS A 53 -11.333 -3.886 -3.907 1.00 0.00 O ATOM 740 CB LYS A 53 -12.597 -1.591 -1.743 1.00 0.00 C ATOM 741 CG LYS A 53 -12.141 -1.623 -0.283 1.00 0.00 C ATOM 742 CD LYS A 53 -13.070 -0.788 0.600 1.00 0.00 C ATOM 743 CE LYS A 53 -12.573 0.654 0.710 1.00 0.00 C ATOM 744 NZ LYS A 53 -13.705 1.574 0.966 1.00 0.00 N ATOM 0 H LYS A 53 -13.943 -3.269 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.474 -2.885 -3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.838 -1.103 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.507 -0.998 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.123 -2.653 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.123 -1.242 -0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.078 -0.798 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.130 -1.232 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.843 0.733 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.064 0.941 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.350 2.549 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.388 1.511 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.173 1.309 1.856 1.00 0.00 H new ATOM 753 N LEU A 54 -10.810 -4.167 -1.724 1.00 0.00 N ATOM 754 CA LEU A 54 -9.572 -4.876 -1.997 1.00 0.00 C ATOM 755 C LEU A 54 -9.828 -6.382 -1.930 1.00 0.00 C ATOM 756 O LEU A 54 -9.084 -7.114 -1.279 1.00 0.00 O ATOM 757 CB LEU A 54 -8.463 -4.399 -1.058 1.00 0.00 C ATOM 758 CG LEU A 54 -8.311 -2.882 -0.915 1.00 0.00 C ATOM 759 CD1 LEU A 54 -8.932 -2.154 -2.109 1.00 0.00 C ATOM 760 CD2 LEU A 54 -8.889 -2.397 0.416 1.00 0.00 C ATOM 0 H LEU A 54 -11.019 -4.039 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.221 -4.656 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.645 -4.821 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.516 -4.808 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.247 -2.644 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.810 -1.078 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.435 -2.470 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.993 -2.395 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.768 -1.316 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.948 -2.648 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.362 -2.880 1.239 1.00 0.00 H new ATOM 771 N ARG A 55 -10.883 -6.802 -2.614 1.00 0.00 N ATOM 772 CA ARG A 55 -11.245 -8.210 -2.641 1.00 0.00 C ATOM 773 C ARG A 55 -11.096 -8.769 -4.058 1.00 0.00 C ATOM 774 O ARG A 55 -11.539 -9.881 -4.338 1.00 0.00 O ATOM 775 CB ARG A 55 -12.685 -8.417 -2.167 1.00 0.00 C ATOM 776 CG ARG A 55 -13.681 -8.096 -3.283 1.00 0.00 C ATOM 777 CD ARG A 55 -14.408 -9.360 -3.749 1.00 0.00 C ATOM 778 NE ARG A 55 -15.551 -8.995 -4.617 1.00 0.00 N ATOM 779 CZ ARG A 55 -15.427 -8.569 -5.892 1.00 0.00 C ATOM 780 NH1 ARG A 55 -14.208 -8.449 -6.460 1.00 0.00 N ATOM 781 NH2 ARG A 55 -16.516 -8.272 -6.575 1.00 0.00 N ATOM 0 H ARG A 55 -11.498 -6.193 -3.153 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.573 -8.739 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.819 -9.448 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.883 -7.781 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.407 -7.364 -2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.157 -7.643 -4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.719 -10.006 -4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.761 -9.925 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.491 -9.070 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.371 -8.681 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.124 -8.126 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.433 -8.366 -6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.441 -7.949 -7.539 1.00 0.00 H new ATOM 791 N HIS A 56 -10.472 -7.972 -4.911 1.00 0.00 N ATOM 792 CA HIS A 56 -10.259 -8.373 -6.292 1.00 0.00 C ATOM 793 C HIS A 56 -9.995 -9.879 -6.354 1.00 0.00 C ATOM 794 O HIS A 56 -9.343 -10.435 -5.470 1.00 0.00 O ATOM 795 CB HIS A 56 -9.140 -7.549 -6.932 1.00 0.00 C ATOM 796 CG HIS A 56 -8.891 -7.875 -8.385 1.00 0.00 C ATOM 797 ND1 HIS A 56 -7.787 -8.591 -8.813 1.00 0.00 N ATOM 798 CD2 HIS A 56 -9.615 -7.577 -9.502 1.00 0.00 C ATOM 799 CE1 HIS A 56 -7.852 -8.712 -10.132 1.00 0.00 C ATOM 800 NE2 HIS A 56 -8.985 -8.082 -10.556 1.00 0.00 N ATOM 0 H HIS A 56 -10.106 -7.050 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.158 -8.172 -6.875 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.387 -6.491 -6.845 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.219 -7.709 -6.371 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.049 -8.963 -8.215 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.543 -7.024 -9.525 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.135 -9.220 -10.760 1.00 0.00 H new ATOM 807 N GLU A 57 -10.514 -10.496 -7.405 1.00 0.00 N ATOM 808 CA GLU A 57 -10.344 -11.927 -7.592 1.00 0.00 C ATOM 809 C GLU A 57 -8.931 -12.351 -7.181 1.00 0.00 C ATOM 810 O GLU A 57 -8.724 -13.477 -6.731 1.00 0.00 O ATOM 811 CB GLU A 57 -10.637 -12.329 -9.039 1.00 0.00 C ATOM 812 CG GLU A 57 -10.889 -13.834 -9.150 1.00 0.00 C ATOM 813 CD GLU A 57 -10.665 -14.323 -10.582 1.00 0.00 C ATOM 814 OE1 GLU A 57 -9.768 -15.145 -10.823 1.00 0.00 O ATOM 815 OE2 GLU A 57 -11.463 -13.820 -11.461 1.00 0.00 O ATOM 0 H GLU A 57 -11.053 -10.031 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.059 -12.445 -6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.508 -11.783 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.797 -12.049 -9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.225 -14.369 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.910 -14.059 -8.840 1.00 0.00 H new ATOM 821 N GLN A 58 -7.998 -11.427 -7.350 1.00 0.00 N ATOM 822 CA GLN A 58 -6.612 -11.691 -7.002 1.00 0.00 C ATOM 823 C GLN A 58 -6.071 -10.580 -6.099 1.00 0.00 C ATOM 824 O GLN A 58 -6.286 -9.398 -6.365 1.00 0.00 O ATOM 825 CB GLN A 58 -5.752 -11.845 -8.257 1.00 0.00 C ATOM 826 CG GLN A 58 -6.380 -12.841 -9.234 1.00 0.00 C ATOM 827 CD GLN A 58 -6.201 -12.378 -10.680 1.00 0.00 C ATOM 828 OE1 GLN A 58 -5.148 -12.523 -11.280 1.00 0.00 O ATOM 829 NE2 GLN A 58 -7.284 -11.814 -11.207 1.00 0.00 N ATOM 0 H GLN A 58 -8.174 -10.494 -7.723 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.568 -12.632 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.636 -10.877 -8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.754 -12.183 -7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.922 -13.822 -9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.442 -12.952 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.134 -11.723 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.265 -11.472 -12.168 1.00 0.00 H new ATOM 836 N ILE A 59 -5.378 -10.999 -5.050 1.00 0.00 N ATOM 837 CA ILE A 59 -4.804 -10.054 -4.107 1.00 0.00 C ATOM 838 C ILE A 59 -3.432 -10.559 -3.656 1.00 0.00 C ATOM 839 O ILE A 59 -3.083 -11.714 -3.896 1.00 0.00 O ATOM 840 CB ILE A 59 -5.773 -9.794 -2.952 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.251 -10.404 -1.650 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.180 -10.291 -3.293 1.00 0.00 C ATOM 843 CD1 ILE A 59 -6.174 -10.066 -0.477 1.00 0.00 C ATOM 0 H ILE A 59 -5.201 -11.980 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.647 -9.087 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.840 -8.717 -2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.174 -11.486 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.247 -10.031 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.849 -10.094 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.545 -9.771 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.150 -11.363 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.780 -10.512 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.230 -8.984 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.171 -10.461 -0.673 1.00 0.00 H new ATOM 854 N ILE A 60 -2.692 -9.670 -3.011 1.00 0.00 N ATOM 855 CA ILE A 60 -1.366 -10.012 -2.525 1.00 0.00 C ATOM 856 C ILE A 60 -1.188 -9.457 -1.110 1.00 0.00 C ATOM 857 O ILE A 60 -1.760 -8.423 -0.767 1.00 0.00 O ATOM 858 CB ILE A 60 -0.295 -9.539 -3.510 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.563 -10.086 -4.914 1.00 0.00 C ATOM 860 CG2 ILE A 60 1.106 -9.899 -3.012 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.677 -9.950 -5.801 1.00 0.00 C ATOM 0 H ILE A 60 -2.985 -8.713 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.251 -11.094 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.344 -8.452 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.856 -11.134 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.398 -9.549 -5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.848 -9.551 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.283 -9.422 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.186 -10.980 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.460 -10.346 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.953 -8.899 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.503 -10.508 -5.360 1.00 0.00 H new ATOM 872 N PHE A 61 -0.392 -10.168 -0.325 1.00 0.00 N ATOM 873 CA PHE A 61 -0.131 -9.760 1.044 1.00 0.00 C ATOM 874 C PHE A 61 1.358 -9.479 1.259 1.00 0.00 C ATOM 875 O PHE A 61 2.198 -10.340 1.003 1.00 0.00 O ATOM 876 CB PHE A 61 -0.554 -10.922 1.945 1.00 0.00 C ATOM 877 CG PHE A 61 -2.068 -11.051 2.124 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.804 -9.972 2.502 1.00 0.00 C ATOM 879 CD2 PHE A 61 -2.679 -12.247 1.904 1.00 0.00 C ATOM 880 CE1 PHE A 61 -4.209 -10.092 2.667 1.00 0.00 C ATOM 881 CE2 PHE A 61 -4.084 -12.367 2.069 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.819 -11.288 2.446 1.00 0.00 C ATOM 0 H PHE A 61 0.081 -11.025 -0.612 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.682 -8.847 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.167 -11.852 1.527 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.092 -10.796 2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.319 -9.023 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.095 -13.105 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.793 -9.235 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.569 -13.316 1.895 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.888 -11.380 2.570 1.00 0.00 H new ATOM 891 N HIS A 62 1.639 -8.272 1.727 1.00 0.00 N ATOM 892 CA HIS A 62 3.011 -7.868 1.980 1.00 0.00 C ATOM 893 C HIS A 62 3.152 -7.406 3.431 1.00 0.00 C ATOM 894 O HIS A 62 2.284 -7.679 4.260 1.00 0.00 O ATOM 895 CB HIS A 62 3.458 -6.806 0.973 1.00 0.00 C ATOM 896 CG HIS A 62 3.485 -5.403 1.532 1.00 0.00 C ATOM 897 ND1 HIS A 62 2.336 -4.704 1.860 1.00 0.00 N ATOM 898 CD2 HIS A 62 4.532 -4.577 1.819 1.00 0.00 C ATOM 899 CE1 HIS A 62 2.688 -3.514 2.321 1.00 0.00 C ATOM 900 NE2 HIS A 62 4.049 -3.436 2.294 1.00 0.00 N ATOM 0 H HIS A 62 0.939 -7.560 1.938 1.00 0.00 H new ATOM 0 HA HIS A 62 3.676 -8.720 1.842 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.454 -7.061 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.789 -6.831 0.113 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.380 -5.048 1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.577 -4.812 1.683 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.015 -2.740 2.659 1.00 0.00 H new ATOM 907 N CYS A 63 4.250 -6.714 3.695 1.00 0.00 N ATOM 908 CA CYS A 63 4.515 -6.212 5.032 1.00 0.00 C ATOM 909 C CYS A 63 5.749 -5.308 4.970 1.00 0.00 C ATOM 910 O CYS A 63 6.256 -5.019 3.887 1.00 0.00 O ATOM 911 CB CYS A 63 4.693 -7.350 6.039 1.00 0.00 C ATOM 912 SG CYS A 63 5.978 -8.512 5.450 1.00 0.00 S ATOM 0 H CYS A 63 4.967 -6.489 3.005 1.00 0.00 H new ATOM 0 HA CYS A 63 3.659 -5.635 5.382 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.975 -6.946 7.011 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.749 -7.877 6.175 1.00 0.00 H new ATOM 0 HG CYS A 63 5.728 -9.703 5.906 1.00 0.00 H new ATOM 986 N THR A 69 4.539 -11.496 6.905 1.00 0.00 N ATOM 987 CA THR A 69 3.438 -12.262 6.348 1.00 0.00 C ATOM 988 C THR A 69 3.734 -13.761 6.433 1.00 0.00 C ATOM 989 O THR A 69 2.945 -14.523 6.989 1.00 0.00 O ATOM 990 CB THR A 69 3.195 -11.772 4.919 1.00 0.00 C ATOM 991 OG1 THR A 69 4.499 -11.701 4.350 1.00 0.00 O ATOM 992 CG2 THR A 69 2.690 -10.327 4.874 1.00 0.00 C ATOM 0 HA THR A 69 2.522 -12.110 6.920 1.00 0.00 H new ATOM 0 HB THR A 69 2.473 -12.425 4.429 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.133 -11.381 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.534 -10.028 3.837 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.749 -10.253 5.419 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.428 -9.669 5.334 1.00 0.00 H new ATOM 1000 N SER A 70 4.875 -14.138 5.875 1.00 0.00 N ATOM 1001 CA SER A 70 5.285 -15.532 5.881 1.00 0.00 C ATOM 1002 C SER A 70 5.203 -16.096 7.301 1.00 0.00 C ATOM 1003 O SER A 70 4.957 -17.287 7.487 1.00 0.00 O ATOM 1004 CB SER A 70 6.703 -15.691 5.328 1.00 0.00 C ATOM 1005 OG SER A 70 7.600 -14.729 5.875 1.00 0.00 O ATOM 0 H SER A 70 5.528 -13.503 5.416 1.00 0.00 H new ATOM 0 HA SER A 70 4.607 -16.091 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.068 -16.694 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.682 -15.591 4.243 1.00 0.00 H new ATOM 0 HG SER A 70 8.495 -14.865 5.499 1.00 0.00 H new ATOM 1010 N ASN A 71 5.412 -15.213 8.266 1.00 0.00 N ATOM 1011 CA ASN A 71 5.364 -15.607 9.664 1.00 0.00 C ATOM 1012 C ASN A 71 3.925 -15.973 10.037 1.00 0.00 C ATOM 1013 O ASN A 71 3.699 -16.737 10.975 1.00 0.00 O ATOM 1014 CB ASN A 71 5.812 -14.464 10.576 1.00 0.00 C ATOM 1015 CG ASN A 71 7.194 -14.745 11.169 1.00 0.00 C ATOM 1016 OD1 ASN A 71 7.845 -15.727 10.854 1.00 0.00 O ATOM 1017 ND2 ASN A 71 7.603 -13.830 12.044 1.00 0.00 N ATOM 0 H ASN A 71 5.615 -14.226 8.108 1.00 0.00 H new ATOM 0 HA ASN A 71 6.033 -16.457 9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.837 -13.532 10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.088 -14.330 11.380 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.512 -13.927 12.496 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.008 -13.031 12.262 1.00 0.00 H new ATOM 1023 N ASN A 72 2.992 -15.411 9.285 1.00 0.00 N ATOM 1024 CA ASN A 72 1.582 -15.669 9.525 1.00 0.00 C ATOM 1025 C ASN A 72 0.844 -15.726 8.187 1.00 0.00 C ATOM 1026 O ASN A 72 -0.233 -15.149 8.042 1.00 0.00 O ATOM 1027 CB ASN A 72 0.954 -14.554 10.364 1.00 0.00 C ATOM 1028 CG ASN A 72 1.871 -14.157 11.523 1.00 0.00 C ATOM 1029 OD1 ASN A 72 2.181 -15.162 12.337 1.00 0.00 O flip ATOM 1030 ND2 ASN A 72 2.269 -13.013 11.668 1.00 0.00 N flip ATOM 0 H ASN A 72 3.184 -14.778 8.509 1.00 0.00 H new ATOM 0 HA ASN A 72 1.498 -16.615 10.060 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.761 -13.685 9.735 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.008 -14.886 10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.992 -12.289 11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.879 -12.781 12.452 1.00 0.00 H new ATOM 1036 N ALA A 73 1.451 -16.428 7.241 1.00 0.00 N ATOM 1037 CA ALA A 73 0.864 -16.569 5.920 1.00 0.00 C ATOM 1038 C ALA A 73 -0.350 -17.496 6.001 1.00 0.00 C ATOM 1039 O ALA A 73 -0.996 -17.770 4.991 1.00 0.00 O ATOM 1040 CB ALA A 73 1.925 -17.082 4.943 1.00 0.00 C ATOM 0 H ALA A 73 2.344 -16.905 7.364 1.00 0.00 H new ATOM 0 HA ALA A 73 0.517 -15.604 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.485 -17.188 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.752 -16.374 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.294 -18.050 5.282 1.00 0.00 H new ATOM 1046 N ASP A 74 -0.624 -17.955 7.214 1.00 0.00 N ATOM 1047 CA ASP A 74 -1.750 -18.845 7.441 1.00 0.00 C ATOM 1048 C ASP A 74 -3.022 -18.016 7.620 1.00 0.00 C ATOM 1049 O ASP A 74 -4.039 -18.286 6.982 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.546 -19.679 8.707 1.00 0.00 C ATOM 1051 CG ASP A 74 -1.956 -21.148 8.588 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -1.977 -21.718 7.486 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -2.269 -21.719 9.701 1.00 0.00 O ATOM 0 H ASP A 74 -0.085 -17.727 8.050 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.833 -19.510 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.494 -19.633 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.113 -19.224 9.519 1.00 0.00 H new ATOM 1058 N LYS A 75 -2.926 -17.024 8.493 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.057 -16.154 8.765 1.00 0.00 C ATOM 1060 C LYS A 75 -4.493 -15.470 7.468 1.00 0.00 C ATOM 1061 O LYS A 75 -5.673 -15.485 7.120 1.00 0.00 O ATOM 1062 CB LYS A 75 -3.722 -15.175 9.893 1.00 0.00 C ATOM 1063 CG LYS A 75 -4.789 -15.215 10.989 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.174 -14.907 10.418 1.00 0.00 C ATOM 1065 CE LYS A 75 -7.238 -15.812 11.042 1.00 0.00 C ATOM 1066 NZ LYS A 75 -7.671 -15.276 12.352 1.00 0.00 N ATOM 0 H LYS A 75 -2.082 -16.804 9.021 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.907 -16.736 9.121 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.750 -15.423 10.318 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.646 -14.164 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.796 -16.199 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.544 -14.492 11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.424 -13.863 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.164 -15.044 9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.095 -15.890 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.839 -16.819 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.393 -15.902 12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.854 -15.224 12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.071 -14.325 12.223 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.517 -14.888 6.786 1.00 0.00 N ATOM 1076 CA LEU A 76 -3.785 -14.201 5.534 1.00 0.00 C ATOM 1077 C LEU A 76 -4.652 -15.093 4.643 1.00 0.00 C ATOM 1078 O LEU A 76 -5.515 -14.599 3.918 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.477 -13.759 4.875 1.00 0.00 C ATOM 1080 CG LEU A 76 -1.766 -12.570 5.525 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -2.254 -11.248 4.931 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -1.918 -12.607 7.047 1.00 0.00 C ATOM 0 H LEU A 76 -2.539 -14.878 7.077 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.349 -13.286 5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.792 -14.607 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.684 -13.508 3.835 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.701 -12.646 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.733 -10.419 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.051 -11.233 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.326 -11.148 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.404 -11.751 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.976 -12.567 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.483 -13.529 7.434 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.393 -16.388 4.727 1.00 0.00 N ATOM 1094 CA ALA A 77 -5.139 -17.354 3.937 1.00 0.00 C ATOM 1095 C ALA A 77 -6.619 -17.285 4.320 1.00 0.00 C ATOM 1096 O ALA A 77 -7.484 -17.185 3.452 1.00 0.00 O ATOM 1097 CB ALA A 77 -4.548 -18.750 4.144 1.00 0.00 C ATOM 0 H ALA A 77 -3.677 -16.793 5.330 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.062 -17.122 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.108 -19.474 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.504 -18.754 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.610 -19.019 5.198 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.864 -17.341 5.621 1.00 0.00 N ATOM 1104 CA ALA A 78 -8.224 -17.286 6.130 1.00 0.00 C ATOM 1105 C ALA A 78 -8.666 -15.825 6.234 1.00 0.00 C ATOM 1106 O ALA A 78 -9.527 -15.490 7.045 1.00 0.00 O ATOM 1107 CB ALA A 78 -8.296 -18.014 7.474 1.00 0.00 C ATOM 0 H ALA A 78 -6.143 -17.424 6.338 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.910 -17.790 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.316 -17.973 7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.000 -19.055 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.623 -17.534 8.184 1.00 0.00 H new ATOM 1113 N ILE A 79 -8.056 -14.995 5.400 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.377 -13.577 5.388 1.00 0.00 C ATOM 1115 C ILE A 79 -8.874 -13.184 3.995 1.00 0.00 C ATOM 1116 O ILE A 79 -9.875 -12.481 3.866 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.181 -12.754 5.869 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -7.099 -12.746 7.397 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.221 -11.338 5.291 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -5.790 -12.114 7.874 1.00 0.00 C ATOM 0 H ILE A 79 -7.342 -15.277 4.728 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.185 -13.362 6.088 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.271 -13.227 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.944 -12.193 7.807 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.173 -13.766 7.774 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.359 -10.774 5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.195 -11.388 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.137 -10.841 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.758 -12.121 8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.947 -12.684 7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.731 -11.086 7.516 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.150 -13.652 2.989 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.505 -13.357 1.612 1.00 0.00 C ATOM 1133 C ALA A 80 -8.840 -14.663 0.885 1.00 0.00 C ATOM 1134 O ALA A 80 -9.876 -14.764 0.230 1.00 0.00 O ATOM 1135 CB ALA A 80 -7.361 -12.595 0.941 1.00 0.00 C ATOM 0 H ALA A 80 -7.319 -14.233 3.100 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.389 -12.720 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.628 -12.374 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.181 -11.663 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.458 -13.204 0.960 1.00 0.00 H new ATOM 1141 N ALA A 81 -7.943 -15.627 1.026 1.00 0.00 N ATOM 1142 CA ALA A 81 -8.131 -16.921 0.392 1.00 0.00 C ATOM 1143 C ALA A 81 -9.595 -17.343 0.526 1.00 0.00 C ATOM 1144 O ALA A 81 -10.359 -16.723 1.264 1.00 0.00 O ATOM 1145 CB ALA A 81 -7.171 -17.939 1.014 1.00 0.00 C ATOM 0 H ALA A 81 -7.084 -15.539 1.570 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.901 -16.864 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.312 -18.910 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.143 -17.608 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.374 -18.025 2.082 1.00 0.00 H new ATOM 1151 N PRO A 82 -9.953 -18.422 -0.220 1.00 0.00 N ATOM 1152 CA PRO A 82 -8.987 -19.099 -1.069 1.00 0.00 C ATOM 1153 C PRO A 82 -8.697 -18.281 -2.329 1.00 0.00 C ATOM 1154 O PRO A 82 -7.937 -18.715 -3.194 1.00 0.00 O ATOM 1155 CB PRO A 82 -9.608 -20.453 -1.370 1.00 0.00 C ATOM 1156 CG PRO A 82 -11.091 -20.308 -1.066 1.00 0.00 C ATOM 1157 CD PRO A 82 -11.281 -19.025 -0.275 1.00 0.00 C ATOM 0 HA PRO A 82 -8.016 -19.219 -0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.448 -20.733 -2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -9.158 -21.234 -0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.669 -20.276 -1.990 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.449 -21.165 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.997 -18.362 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.665 -19.229 0.725 1.00 0.00 H new ATOM 1162 N ALA A 83 -9.318 -17.113 -2.393 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.137 -16.230 -3.534 1.00 0.00 C ATOM 1164 C ALA A 83 -7.661 -16.229 -3.941 1.00 0.00 C ATOM 1165 O ALA A 83 -6.796 -16.611 -3.156 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.646 -14.831 -3.183 1.00 0.00 C ATOM 0 H ALA A 83 -9.947 -16.757 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.715 -16.582 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.510 -14.169 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.705 -14.882 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.086 -14.443 -2.332 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.421 -15.794 -5.169 1.00 0.00 N ATOM 1173 CA GLU A 84 -6.066 -15.737 -5.692 1.00 0.00 C ATOM 1174 C GLU A 84 -5.206 -14.807 -4.833 1.00 0.00 C ATOM 1175 O GLU A 84 -5.173 -13.599 -5.061 1.00 0.00 O ATOM 1176 CB GLU A 84 -6.060 -15.294 -7.156 1.00 0.00 C ATOM 1177 CG GLU A 84 -6.525 -16.426 -8.074 1.00 0.00 C ATOM 1178 CD GLU A 84 -5.703 -17.695 -7.838 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -4.496 -17.610 -7.566 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -6.361 -18.798 -7.945 1.00 0.00 O ATOM 0 H GLU A 84 -8.142 -15.478 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.638 -16.739 -5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.712 -14.429 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.056 -14.980 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.580 -16.633 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.432 -16.116 -9.115 1.00 0.00 H new ATOM 1186 N ILE A 85 -4.529 -15.407 -3.865 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.670 -14.648 -2.971 1.00 0.00 C ATOM 1188 C ILE A 85 -2.207 -14.971 -3.281 1.00 0.00 C ATOM 1189 O ILE A 85 -1.900 -16.043 -3.800 1.00 0.00 O ATOM 1190 CB ILE A 85 -4.059 -14.897 -1.513 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -5.200 -13.972 -1.084 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -2.844 -14.775 -0.592 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -6.123 -13.657 -2.263 1.00 0.00 C ATOM 0 H ILE A 85 -4.558 -16.410 -3.680 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.802 -13.578 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.425 -15.920 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.773 -14.442 -0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.790 -13.046 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.149 -14.957 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.092 -15.509 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.424 -13.773 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.925 -12.998 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.552 -13.165 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.550 -14.583 -2.648 1.00 0.00 H new ATOM 1204 N PHE A 86 -1.342 -14.023 -2.949 1.00 0.00 N ATOM 1205 CA PHE A 86 0.082 -14.194 -3.184 1.00 0.00 C ATOM 1206 C PHE A 86 0.903 -13.303 -2.250 1.00 0.00 C ATOM 1207 O PHE A 86 0.414 -12.279 -1.774 1.00 0.00 O ATOM 1208 CB PHE A 86 0.348 -13.776 -4.632 1.00 0.00 C ATOM 1209 CG PHE A 86 -0.652 -14.348 -5.639 1.00 0.00 C ATOM 1210 CD1 PHE A 86 -0.429 -15.566 -6.201 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.763 -13.638 -5.971 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -1.357 -16.097 -7.136 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -2.691 -14.170 -6.905 1.00 0.00 C ATOM 1214 CZ PHE A 86 -2.469 -15.387 -7.468 1.00 0.00 C ATOM 0 H PHE A 86 -1.600 -13.135 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 86 0.368 -15.229 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.329 -12.688 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.352 -14.094 -4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.454 -16.129 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.940 -12.670 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.180 -17.064 -7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.574 -13.607 -7.168 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.175 -15.790 -8.179 1.00 0.00 H new ATOM 1223 N LEU A 87 2.136 -13.725 -2.015 1.00 0.00 N ATOM 1224 CA LEU A 87 3.030 -12.978 -1.146 1.00 0.00 C ATOM 1225 C LEU A 87 4.105 -12.295 -1.993 1.00 0.00 C ATOM 1226 O LEU A 87 4.723 -12.928 -2.847 1.00 0.00 O ATOM 1227 CB LEU A 87 3.595 -13.886 -0.051 1.00 0.00 C ATOM 1228 CG LEU A 87 4.033 -13.189 1.238 1.00 0.00 C ATOM 1229 CD1 LEU A 87 2.822 -12.721 2.049 1.00 0.00 C ATOM 1230 CD2 LEU A 87 4.959 -14.086 2.060 1.00 0.00 C ATOM 0 H LEU A 87 2.538 -14.575 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 87 2.485 -12.190 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.840 -14.631 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.451 -14.424 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 87 4.602 -12.300 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.162 -12.229 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.235 -12.020 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.205 -13.581 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.255 -13.566 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.436 -15.006 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.846 -14.326 1.475 1.00 0.00 H new ATOM 1241 N LEU A 88 4.296 -11.011 -1.727 1.00 0.00 N ATOM 1242 CA LEU A 88 5.286 -10.235 -2.454 1.00 0.00 C ATOM 1243 C LEU A 88 6.674 -10.520 -1.878 1.00 0.00 C ATOM 1244 O LEU A 88 7.391 -9.599 -1.490 1.00 0.00 O ATOM 1245 CB LEU A 88 4.912 -8.751 -2.450 1.00 0.00 C ATOM 1246 CG LEU A 88 4.963 -8.043 -3.805 1.00 0.00 C ATOM 1247 CD1 LEU A 88 4.166 -6.737 -3.771 1.00 0.00 C ATOM 1248 CD2 LEU A 88 6.408 -7.822 -4.254 1.00 0.00 C ATOM 0 H LEU A 88 3.782 -10.489 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 88 5.308 -10.532 -3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.904 -8.652 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.581 -8.230 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 88 4.492 -8.688 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.218 -6.253 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.125 -6.952 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.586 -6.074 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.416 -7.317 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.927 -7.207 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.912 -8.784 -4.344 1.00 0.00 H new ATOM 1259 N GLU A 89 7.013 -11.801 -1.841 1.00 0.00 N ATOM 1260 CA GLU A 89 8.303 -12.220 -1.319 1.00 0.00 C ATOM 1261 C GLU A 89 8.684 -11.372 -0.104 1.00 0.00 C ATOM 1262 O GLU A 89 8.260 -11.658 1.015 1.00 0.00 O ATOM 1263 CB GLU A 89 9.383 -12.143 -2.401 1.00 0.00 C ATOM 1264 CG GLU A 89 9.508 -13.475 -3.144 1.00 0.00 C ATOM 1265 CD GLU A 89 10.023 -14.575 -2.215 1.00 0.00 C ATOM 1266 OE1 GLU A 89 9.220 -15.281 -1.586 1.00 0.00 O ATOM 1267 OE2 GLU A 89 11.307 -14.686 -2.159 1.00 0.00 O ATOM 0 H GLU A 89 6.416 -12.562 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 89 8.225 -13.260 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.140 -11.349 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.340 -11.884 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.538 -13.762 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.186 -13.361 -3.990 1.00 0.00 H new ATOM 1273 N ASP A 90 9.481 -10.346 -0.364 1.00 0.00 N ATOM 1274 CA ASP A 90 9.924 -9.455 0.694 1.00 0.00 C ATOM 1275 C ASP A 90 8.892 -8.341 0.882 1.00 0.00 C ATOM 1276 O ASP A 90 8.381 -7.793 -0.092 1.00 0.00 O ATOM 1277 CB ASP A 90 11.264 -8.805 0.342 1.00 0.00 C ATOM 1278 CG ASP A 90 12.493 -9.680 0.591 1.00 0.00 C ATOM 1279 OD1 ASP A 90 13.312 -9.904 -0.313 1.00 0.00 O ATOM 1280 OD2 ASP A 90 12.595 -10.149 1.789 1.00 0.00 O ATOM 0 H ASP A 90 9.831 -10.112 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 90 10.037 -10.043 1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.247 -8.520 -0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.368 -7.886 0.920 1.00 0.00 H new ATOM 1285 N GLY A 91 8.619 -8.038 2.144 1.00 0.00 N ATOM 1286 CA GLY A 91 7.657 -6.999 2.472 1.00 0.00 C ATOM 1287 C GLY A 91 7.729 -5.848 1.466 1.00 0.00 C ATOM 1288 O GLY A 91 7.053 -5.873 0.440 1.00 0.00 O ATOM 0 H GLY A 91 9.047 -8.494 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.651 -7.419 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.852 -6.622 3.476 1.00 0.00 H new ATOM 1292 N ILE A 92 8.556 -4.867 1.798 1.00 0.00 N ATOM 1293 CA ILE A 92 8.725 -3.708 0.937 1.00 0.00 C ATOM 1294 C ILE A 92 10.040 -3.839 0.166 1.00 0.00 C ATOM 1295 O ILE A 92 10.151 -3.370 -0.966 1.00 0.00 O ATOM 1296 CB ILE A 92 8.614 -2.417 1.749 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.626 -1.445 1.100 1.00 0.00 C ATOM 1298 CG2 ILE A 92 9.990 -1.781 1.959 1.00 0.00 C ATOM 1299 CD1 ILE A 92 7.805 -1.415 -0.420 1.00 0.00 C ATOM 0 H ILE A 92 9.116 -4.851 2.650 1.00 0.00 H new ATOM 0 HA ILE A 92 7.925 -3.662 0.198 1.00 0.00 H new ATOM 0 HB ILE A 92 8.221 -2.666 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.606 -1.741 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.774 -0.445 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.883 -0.865 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.634 -2.477 2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.435 -1.548 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.091 -0.717 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.819 -1.095 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 92 7.633 -2.412 -0.826 1.00 0.00 H new ATOM 1310 N ASP A 93 11.005 -4.479 0.810 1.00 0.00 N ATOM 1311 CA ASP A 93 12.309 -4.677 0.199 1.00 0.00 C ATOM 1312 C ASP A 93 12.137 -5.401 -1.137 1.00 0.00 C ATOM 1313 O ASP A 93 12.965 -5.259 -2.036 1.00 0.00 O ATOM 1314 CB ASP A 93 13.209 -5.537 1.089 1.00 0.00 C ATOM 1315 CG ASP A 93 14.691 -5.527 0.710 1.00 0.00 C ATOM 1316 OD1 ASP A 93 15.211 -6.498 0.139 1.00 0.00 O ATOM 1317 OD2 ASP A 93 15.330 -4.452 1.031 1.00 0.00 O ATOM 0 H ASP A 93 10.910 -4.867 1.748 1.00 0.00 H new ATOM 0 HA ASP A 93 12.768 -3.698 0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.110 -5.194 2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.849 -6.565 1.059 1.00 0.00 H new ATOM 1322 N GLY A 94 11.055 -6.162 -1.228 1.00 0.00 N ATOM 1323 CA GLY A 94 10.764 -6.908 -2.439 1.00 0.00 C ATOM 1324 C GLY A 94 10.556 -5.965 -3.627 1.00 0.00 C ATOM 1325 O GLY A 94 11.222 -6.097 -4.652 1.00 0.00 O ATOM 0 H GLY A 94 10.370 -6.277 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.583 -7.594 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.871 -7.515 -2.291 1.00 0.00 H new ATOM 1329 N TRP A 95 9.629 -5.035 -3.448 1.00 0.00 N ATOM 1330 CA TRP A 95 9.325 -4.072 -4.492 1.00 0.00 C ATOM 1331 C TRP A 95 10.626 -3.359 -4.870 1.00 0.00 C ATOM 1332 O TRP A 95 10.956 -3.246 -6.049 1.00 0.00 O ATOM 1333 CB TRP A 95 8.224 -3.108 -4.045 1.00 0.00 C ATOM 1334 CG TRP A 95 8.075 -1.876 -4.940 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.370 -0.603 -4.647 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.575 -1.852 -6.294 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.101 0.237 -5.708 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.602 -0.547 -6.742 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.118 -2.899 -7.113 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.183 -0.168 -8.023 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.702 -2.503 -8.391 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.722 -1.194 -8.857 1.00 0.00 C ATOM 0 H TRP A 95 9.079 -4.928 -2.596 1.00 0.00 H new ATOM 0 HA TRP A 95 8.932 -4.573 -5.377 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.275 -3.643 -4.020 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.433 -2.781 -3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.769 -0.275 -3.698 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.242 1.247 -5.730 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.090 -3.927 -6.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.214 0.861 -8.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.340 -3.269 -9.061 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.384 -0.969 -9.858 1.00 0.00 H new ATOM 1352 N LYS A 96 11.328 -2.895 -3.846 1.00 0.00 N ATOM 1353 CA LYS A 96 12.584 -2.196 -4.057 1.00 0.00 C ATOM 1354 C LYS A 96 13.621 -3.174 -4.613 1.00 0.00 C ATOM 1355 O LYS A 96 14.598 -2.762 -5.236 1.00 0.00 O ATOM 1356 CB LYS A 96 13.028 -1.494 -2.772 1.00 0.00 C ATOM 1357 CG LYS A 96 13.722 -0.167 -3.084 1.00 0.00 C ATOM 1358 CD LYS A 96 14.037 0.603 -1.799 1.00 0.00 C ATOM 1359 CE LYS A 96 15.512 0.461 -1.421 1.00 0.00 C ATOM 1360 NZ LYS A 96 15.754 1.005 -0.066 1.00 0.00 N ATOM 0 H LYS A 96 11.051 -2.990 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 96 12.461 -1.407 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.163 -1.315 -2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.706 -2.141 -2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.644 -0.355 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.084 0.438 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.792 1.657 -1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.413 0.232 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.803 -0.589 -1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.132 0.987 -2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.760 0.901 0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.495 2.012 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.177 0.485 0.625 1.00 0.00 H new ATOM 1369 N LYS A 97 13.372 -4.453 -4.367 1.00 0.00 N ATOM 1370 CA LYS A 97 14.271 -5.493 -4.836 1.00 0.00 C ATOM 1371 C LYS A 97 14.533 -5.302 -6.330 1.00 0.00 C ATOM 1372 O LYS A 97 15.659 -5.473 -6.795 1.00 0.00 O ATOM 1373 CB LYS A 97 13.721 -6.877 -4.480 1.00 0.00 C ATOM 1374 CG LYS A 97 14.857 -7.880 -4.271 1.00 0.00 C ATOM 1375 CD LYS A 97 15.358 -8.428 -5.609 1.00 0.00 C ATOM 1376 CE LYS A 97 16.879 -8.309 -5.715 1.00 0.00 C ATOM 1377 NZ LYS A 97 17.448 -9.498 -6.389 1.00 0.00 N ATOM 0 H LYS A 97 12.561 -4.791 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 97 15.235 -5.418 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.118 -6.811 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.064 -7.227 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.679 -7.399 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.511 -8.702 -3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.063 -9.472 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.889 -7.883 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.141 -7.409 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.312 -8.206 -4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.481 -9.400 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.214 -10.352 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.049 -9.579 -7.346 1.00 0.00 H new ATOM 1386 N ALA A 98 13.473 -4.947 -7.043 1.00 0.00 N ATOM 1387 CA ALA A 98 13.574 -4.730 -8.476 1.00 0.00 C ATOM 1388 C ALA A 98 13.848 -3.249 -8.744 1.00 0.00 C ATOM 1389 O ALA A 98 13.613 -2.761 -9.849 1.00 0.00 O ATOM 1390 CB ALA A 98 12.294 -5.219 -9.158 1.00 0.00 C ATOM 0 H ALA A 98 12.541 -4.804 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 98 14.404 -5.300 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.370 -5.056 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.160 -6.283 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.440 -4.667 -8.767 1.00 0.00 H new ATOM 1396 N GLY A 99 14.343 -2.575 -7.716 1.00 0.00 N ATOM 1397 CA GLY A 99 14.652 -1.160 -7.828 1.00 0.00 C ATOM 1398 C GLY A 99 13.495 -0.395 -8.473 1.00 0.00 C ATOM 1399 O GLY A 99 13.657 0.202 -9.536 1.00 0.00 O ATOM 0 H GLY A 99 14.538 -2.983 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.857 -0.750 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.556 -1.028 -8.422 1.00 0.00 H new ATOM 1403 N LEU A 100 12.352 -0.439 -7.804 1.00 0.00 N ATOM 1404 CA LEU A 100 11.168 0.243 -8.299 1.00 0.00 C ATOM 1405 C LEU A 100 10.739 1.308 -7.289 1.00 0.00 C ATOM 1406 O LEU A 100 10.691 1.048 -6.088 1.00 0.00 O ATOM 1407 CB LEU A 100 10.068 -0.768 -8.631 1.00 0.00 C ATOM 1408 CG LEU A 100 10.495 -1.969 -9.478 1.00 0.00 C ATOM 1409 CD1 LEU A 100 9.907 -3.267 -8.922 1.00 0.00 C ATOM 1410 CD2 LEU A 100 10.131 -1.758 -10.950 1.00 0.00 C ATOM 0 H LEU A 100 12.221 -0.936 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 100 11.388 0.759 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.648 -1.139 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.267 -0.245 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 100 11.580 -2.058 -9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.225 -4.105 -9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.257 -3.417 -7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.819 -3.205 -8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.445 -2.626 -11.530 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.053 -1.630 -11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.636 -0.868 -11.326 1.00 0.00 H new ATOM 1421 N PRO A 101 10.430 2.519 -7.827 1.00 0.00 N ATOM 1422 CA PRO A 101 10.007 3.626 -6.987 1.00 0.00 C ATOM 1423 C PRO A 101 8.566 3.432 -6.509 1.00 0.00 C ATOM 1424 O PRO A 101 7.677 3.144 -7.309 1.00 0.00 O ATOM 1425 CB PRO A 101 10.185 4.865 -7.848 1.00 0.00 C ATOM 1426 CG PRO A 101 10.257 4.368 -9.283 1.00 0.00 C ATOM 1427 CD PRO A 101 10.476 2.864 -9.245 1.00 0.00 C ATOM 0 HA PRO A 101 10.593 3.707 -6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.352 5.556 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.093 5.403 -7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.337 4.606 -9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.071 4.859 -9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.704 2.337 -9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.434 2.592 -9.688 1.00 0.00 H new ATOM 1432 N VAL A 102 8.381 3.596 -5.208 1.00 0.00 N ATOM 1433 CA VAL A 102 7.063 3.443 -4.613 1.00 0.00 C ATOM 1434 C VAL A 102 6.239 4.704 -4.879 1.00 0.00 C ATOM 1435 O VAL A 102 6.684 5.602 -5.592 1.00 0.00 O ATOM 1436 CB VAL A 102 7.196 3.118 -3.125 1.00 0.00 C ATOM 1437 CG1 VAL A 102 7.811 1.732 -2.919 1.00 0.00 C ATOM 1438 CG2 VAL A 102 8.007 4.192 -2.399 1.00 0.00 C ATOM 0 H VAL A 102 9.122 3.833 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 102 6.533 2.607 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 102 6.195 3.107 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.894 1.526 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.176 0.979 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 102 8.802 1.702 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.086 3.936 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.005 4.251 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.509 5.156 -2.502 1.00 0.00 H new ATOM 1448 N ALA A 103 5.052 4.732 -4.292 1.00 0.00 N ATOM 1449 CA ALA A 103 4.162 5.867 -4.456 1.00 0.00 C ATOM 1450 C ALA A 103 4.606 6.998 -3.526 1.00 0.00 C ATOM 1451 O ALA A 103 3.813 7.505 -2.735 1.00 0.00 O ATOM 1452 CB ALA A 103 2.719 5.429 -4.191 1.00 0.00 C ATOM 0 H ALA A 103 4.686 3.985 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 103 4.207 6.243 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.051 6.282 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.441 4.646 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.636 5.047 -3.173 1.00 0.00 H new ATOM 1458 N VAL A 104 5.875 7.360 -3.652 1.00 0.00 N ATOM 1459 CA VAL A 104 6.436 8.421 -2.832 1.00 0.00 C ATOM 1460 C VAL A 104 6.045 9.777 -3.424 1.00 0.00 C ATOM 1461 O VAL A 104 5.771 9.881 -4.618 1.00 0.00 O ATOM 1462 CB VAL A 104 7.949 8.239 -2.703 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.285 7.109 -1.728 1.00 0.00 C ATOM 1464 CG2 VAL A 104 8.590 7.991 -4.071 1.00 0.00 C ATOM 0 H VAL A 104 6.530 6.937 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 104 6.030 8.378 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 104 8.364 9.163 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.367 7.001 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.877 7.343 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.851 6.176 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.666 7.865 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.166 7.089 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.395 8.842 -4.724 1.00 0.00 H new